smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH2+]C1CCC(CCC)CC1 ZINC000051753524 166120643 /nfs/dbraw/zinc/12/06/43/166120643.db2.gz GMLRNKBYGQJSRI-UHFFFAOYSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)C[NH2+][C@@H](CC)C1CCCCC1 ZINC000052338684 486745124 /nfs/dbraw/zinc/74/51/24/486745124.db2.gz LVARWZOPDLAYCW-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)C[NH2+][C@H](CC)C1CCCCC1 ZINC000052338686 486745115 /nfs/dbraw/zinc/74/51/15/486745115.db2.gz LVARWZOPDLAYCW-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO CCCCCCC[NH2+][C@@H](C)C(C)C ZINC000059090976 697623531 /nfs/dbraw/zinc/62/35/31/697623531.db2.gz CFAVETGCITVMPC-LBPRGKRZSA-N 1 0 185.355 3.591 20 30 AHEDRO CCCCCCC[NH2+][C@H](C)C(C)C ZINC000059090977 697623421 /nfs/dbraw/zinc/62/34/21/697623421.db2.gz CFAVETGCITVMPC-GFCCVEGCSA-N 1 0 185.355 3.591 20 30 AHEDRO CCCCCCC[C@@H](C)[NH2+]C(C)C ZINC000059114897 572967259 /nfs/dbraw/zinc/96/72/59/572967259.db2.gz VZTOHENKBOVHMA-GFCCVEGCSA-N 1 0 185.355 3.733 20 30 AHEDRO CCCCCCC[C@H](C)[NH2+]C(C)C ZINC000059114901 697623317 /nfs/dbraw/zinc/62/33/17/697623317.db2.gz VZTOHENKBOVHMA-LBPRGKRZSA-N 1 0 185.355 3.733 20 30 AHEDRO CCCCCCCC[NH2+][C@@H](C)C1CC1 ZINC000059245311 697623260 /nfs/dbraw/zinc/62/32/60/697623260.db2.gz IYKXGIXXSFVBNR-LBPRGKRZSA-N 1 0 197.366 3.735 20 30 AHEDRO CCCCCCCC[NH2+][C@H](C)C1CC1 ZINC000059245312 697623587 /nfs/dbraw/zinc/62/35/87/697623587.db2.gz IYKXGIXXSFVBNR-GFCCVEGCSA-N 1 0 197.366 3.735 20 30 AHEDRO C=CCCC[NH2+]C1CCCCCCC1 ZINC000070591315 572239724 /nfs/dbraw/zinc/23/97/24/572239724.db2.gz TVUKMZKOSOGLBX-UHFFFAOYSA-N 1 0 195.350 3.655 20 30 AHEDRO C=CCCC[NH2+]CCC1CCCCC1 ZINC000070591720 486785778 /nfs/dbraw/zinc/78/57/78/486785778.db2.gz WPCOYYWNMLIBMS-UHFFFAOYSA-N 1 0 195.350 3.513 20 30 AHEDRO C=CCCC[NH2+][C@H](C)CCCCC ZINC000070591893 572240300 /nfs/dbraw/zinc/24/03/00/572240300.db2.gz SXSQTUXEOOYCAT-GFCCVEGCSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCC[NH2+][C@@H](C)CCCCC ZINC000070591894 572239715 /nfs/dbraw/zinc/23/97/15/572239715.db2.gz SXSQTUXEOOYCAT-LBPRGKRZSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000070591905 486786720 /nfs/dbraw/zinc/78/67/20/486786720.db2.gz NASRORVSUPHGJE-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000070591906 486786996 /nfs/dbraw/zinc/78/69/96/486786996.db2.gz NASRORVSUPHGJE-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000070591907 486786571 /nfs/dbraw/zinc/78/65/71/486786571.db2.gz NASRORVSUPHGJE-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000070591908 486786714 /nfs/dbraw/zinc/78/67/14/486786714.db2.gz NASRORVSUPHGJE-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+]C1CCC(CC)CC1 ZINC000070591912 486786832 /nfs/dbraw/zinc/78/68/32/486786832.db2.gz VEKMJBKIUIPSFY-UHFFFAOYSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H](C)CCCC(C)C ZINC000070591923 486786874 /nfs/dbraw/zinc/78/68/74/486786874.db2.gz SBXZSSIKUCFQPK-CYBMUJFWSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@@H](C)CCCC(C)C ZINC000070591924 486786870 /nfs/dbraw/zinc/78/68/70/486786870.db2.gz SBXZSSIKUCFQPK-ZDUSSCGKSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+]C(C)(C)CC(C)(C)C ZINC000070592092 343499075 /nfs/dbraw/zinc/49/90/75/343499075.db2.gz REHCVJIJPZKMDV-UHFFFAOYSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@@H](C)C1CCCCC1 ZINC000070592286 486786980 /nfs/dbraw/zinc/78/69/80/486786980.db2.gz AWBSADZGXZRUJF-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H](C)C1CCCCC1 ZINC000070592287 486786976 /nfs/dbraw/zinc/78/69/76/486786976.db2.gz AWBSADZGXZRUJF-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[NH2+][C@@H](CC)C1CCCCC1 ZINC000070592288 486786991 /nfs/dbraw/zinc/78/69/91/486786991.db2.gz RZINNRYYMKDDPK-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[NH2+][C@H](CC)C1CCCCC1 ZINC000070592289 486786566 /nfs/dbraw/zinc/78/65/66/486786566.db2.gz RZINNRYYMKDDPK-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+]C1CCC(C)(C)CC1 ZINC000070655353 486792154 /nfs/dbraw/zinc/79/21/54/486792154.db2.gz GWVIYKSMXURKCR-UHFFFAOYSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCC[C@H](C)[NH2+]CCC ZINC000070744025 571750870 /nfs/dbraw/zinc/75/08/70/571750870.db2.gz JSZADWOKHAYFBK-LBPRGKRZSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCCCC[C@@H](C)[NH2+]CCC ZINC000070744026 571751300 /nfs/dbraw/zinc/75/13/00/571751300.db2.gz JSZADWOKHAYFBK-GFCCVEGCSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000082847720 491022757 /nfs/dbraw/zinc/02/27/57/491022757.db2.gz RWCVRRNBXFCNTG-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000082847721 491022722 /nfs/dbraw/zinc/02/27/22/491022722.db2.gz RWCVRRNBXFCNTG-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000082847722 491022723 /nfs/dbraw/zinc/02/27/23/491022723.db2.gz RWCVRRNBXFCNTG-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000082847723 491022764 /nfs/dbraw/zinc/02/27/64/491022764.db2.gz RWCVRRNBXFCNTG-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+]C(CC)(CC)CC ZINC000083387972 491024106 /nfs/dbraw/zinc/02/41/06/491024106.db2.gz RNCCMVKLBCLQFU-UHFFFAOYSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000083948973 491025908 /nfs/dbraw/zinc/02/59/08/491025908.db2.gz GTIBBWOKIXMCJS-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000083948974 491025860 /nfs/dbraw/zinc/02/58/60/491025860.db2.gz GTIBBWOKIXMCJS-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000083948975 491025871 /nfs/dbraw/zinc/02/58/71/491025871.db2.gz GTIBBWOKIXMCJS-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000083948976 491025826 /nfs/dbraw/zinc/02/58/26/491025826.db2.gz GTIBBWOKIXMCJS-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@H]1CCCC[C@H]1CC ZINC000085057839 491026862 /nfs/dbraw/zinc/02/68/62/491026862.db2.gz MPCJMRSXBAKGFZ-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@H]1CCCC[C@@H]1CC ZINC000085057841 491026840 /nfs/dbraw/zinc/02/68/40/491026840.db2.gz MPCJMRSXBAKGFZ-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@@H]1CCCC[C@H]1CC ZINC000085057844 491026911 /nfs/dbraw/zinc/02/69/11/491026911.db2.gz MPCJMRSXBAKGFZ-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000085057848 491026907 /nfs/dbraw/zinc/02/69/07/491026907.db2.gz MPCJMRSXBAKGFZ-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+]C(C)(C)CC(C)(C)C ZINC000085058113 491026879 /nfs/dbraw/zinc/02/68/79/491026879.db2.gz TXUQKPPHPQHQDD-UHFFFAOYSA-N 1 0 197.366 3.757 20 30 AHEDRO C=C(CC)C[NH2+][C@@H](C)C1CCCCC1 ZINC000085058375 491026826 /nfs/dbraw/zinc/02/68/26/491026826.db2.gz LYWXMHFXIBDNHS-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@H](C)C1CCCCC1 ZINC000085058376 491026853 /nfs/dbraw/zinc/02/68/53/491026853.db2.gz LYWXMHFXIBDNHS-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+]C(CC)(CC)CC ZINC000085058887 491026839 /nfs/dbraw/zinc/02/68/39/491026839.db2.gz HJBVHDGOUPKJSL-UHFFFAOYSA-N 1 0 183.339 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000085058979 491026812 /nfs/dbraw/zinc/02/68/12/491026812.db2.gz SROMNRPHLFUWOP-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000085058981 491026930 /nfs/dbraw/zinc/02/69/30/491026930.db2.gz SROMNRPHLFUWOP-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@@H]1CCCCC[C@H]1C ZINC000085058986 491026891 /nfs/dbraw/zinc/02/68/91/491026891.db2.gz SROMNRPHLFUWOP-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@H]1CCCCC[C@H]1C ZINC000085058988 491026938 /nfs/dbraw/zinc/02/69/38/491026938.db2.gz SROMNRPHLFUWOP-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@@H]1CCCCC1(C)C ZINC000086875023 491029702 /nfs/dbraw/zinc/02/97/02/491029702.db2.gz WGFDCZBSKHLYPG-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@H]1CCCCC1(C)C ZINC000086875027 491029779 /nfs/dbraw/zinc/02/97/79/491029779.db2.gz WGFDCZBSKHLYPG-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H]1CCCCC1(C)C ZINC000086875185 491029771 /nfs/dbraw/zinc/02/97/71/491029771.db2.gz CQWNFAPHJYIKPC-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@@H]1CCCCC1(C)C ZINC000086875188 491029747 /nfs/dbraw/zinc/02/97/47/491029747.db2.gz CQWNFAPHJYIKPC-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000088169148 756983506 /nfs/dbraw/zinc/98/35/06/756983506.db2.gz SAEHULBVBMXVDB-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[NH2+][C@H](C)C1CCCCCC1 ZINC000088169243 756982732 /nfs/dbraw/zinc/98/27/32/756982732.db2.gz SAEHULBVBMXVDB-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO CCCCCCC[NH2+]CC(C)(C)C ZINC000100027213 573764721 /nfs/dbraw/zinc/76/47/21/573764721.db2.gz YOGFYPRTCSNVFS-UHFFFAOYSA-N 1 0 185.355 3.593 20 30 AHEDRO CCCCCCCC[NH2+]C1CCCC1 ZINC000100032345 171143367 /nfs/dbraw/zinc/14/33/67/171143367.db2.gz FIIYZBVHFPHVKL-UHFFFAOYSA-N 1 0 197.366 3.879 20 30 AHEDRO CCCCCCC[NH2+][C@@H](C)CC1CC1 ZINC000112047706 630988744 /nfs/dbraw/zinc/98/87/44/630988744.db2.gz RTIMPPJQSBQVSI-LBPRGKRZSA-N 1 0 197.366 3.735 20 30 AHEDRO CCCCCCC[NH2+][C@H](C)CC1CC1 ZINC000112047707 630987459 /nfs/dbraw/zinc/98/74/59/630987459.db2.gz RTIMPPJQSBQVSI-GFCCVEGCSA-N 1 0 197.366 3.735 20 30 AHEDRO CCCCCCCCC[N@H+](C)CC ZINC000114220356 572010664 /nfs/dbraw/zinc/01/06/64/572010664.db2.gz LDDWSGZKLFWQAE-UHFFFAOYSA-N 1 0 185.355 3.689 20 30 AHEDRO CCCCCCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000121961828 583336564 /nfs/dbraw/zinc/33/65/64/583336564.db2.gz WNABWJYJWIOPCB-QWHCGFSZSA-N 1 0 197.366 3.735 20 30 AHEDRO CCCCCCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000121962024 583336347 /nfs/dbraw/zinc/33/63/47/583336347.db2.gz WNABWJYJWIOPCB-STQMWFEESA-N 1 0 197.366 3.735 20 30 AHEDRO CCCCCCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000121962220 583336819 /nfs/dbraw/zinc/33/68/19/583336819.db2.gz WNABWJYJWIOPCB-CHWSQXEVSA-N 1 0 197.366 3.735 20 30 AHEDRO CCCCCCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000121962412 583336071 /nfs/dbraw/zinc/33/60/71/583336071.db2.gz WNABWJYJWIOPCB-OLZOCXBDSA-N 1 0 197.366 3.735 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000122637679 486935514 /nfs/dbraw/zinc/93/55/14/486935514.db2.gz IOTQDGLNBJLDCB-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000122637954 486935778 /nfs/dbraw/zinc/93/57/78/486935778.db2.gz IOTQDGLNBJLDCB-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000122638183 486935551 /nfs/dbraw/zinc/93/55/51/486935551.db2.gz IOTQDGLNBJLDCB-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000122638462 486935681 /nfs/dbraw/zinc/93/56/81/486935681.db2.gz IOTQDGLNBJLDCB-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000126689306 409475080 /nfs/dbraw/zinc/47/50/80/409475080.db2.gz ISZXOZHIUJYUFG-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000126689524 409474955 /nfs/dbraw/zinc/47/49/55/409474955.db2.gz ISZXOZHIUJYUFG-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000126689736 409475944 /nfs/dbraw/zinc/47/59/44/409475944.db2.gz ISZXOZHIUJYUFG-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000126689946 409476112 /nfs/dbraw/zinc/47/61/12/409476112.db2.gz ISZXOZHIUJYUFG-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000126700099 490037618 /nfs/dbraw/zinc/03/76/18/490037618.db2.gz MMRJREOTTOHXHP-AGIUHOORSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000126700312 490037817 /nfs/dbraw/zinc/03/78/17/490037817.db2.gz MMRJREOTTOHXHP-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000126700525 490037848 /nfs/dbraw/zinc/03/78/48/490037848.db2.gz MMRJREOTTOHXHP-FRRDWIJNSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000126700717 490037901 /nfs/dbraw/zinc/03/79/01/490037901.db2.gz MMRJREOTTOHXHP-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCCCC ZINC000126704076 573638621 /nfs/dbraw/zinc/63/86/21/573638621.db2.gz NDXCYACBSZFCPX-QWHCGFSZSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCCCC ZINC000126704270 573639469 /nfs/dbraw/zinc/63/94/69/573639469.db2.gz NDXCYACBSZFCPX-STQMWFEESA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCCCC ZINC000126704504 573639807 /nfs/dbraw/zinc/63/98/07/573639807.db2.gz NDXCYACBSZFCPX-CHWSQXEVSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCCCC ZINC000126704733 573640476 /nfs/dbraw/zinc/64/04/76/573640476.db2.gz NDXCYACBSZFCPX-OLZOCXBDSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCC[C@H](C)[NH2+]C1CCCCCC1 ZINC000126705420 490037948 /nfs/dbraw/zinc/03/79/48/490037948.db2.gz PIFDLJUBSLQSOL-LBPRGKRZSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]C1CCCCCC1 ZINC000126705637 490038005 /nfs/dbraw/zinc/03/80/05/490038005.db2.gz PIFDLJUBSLQSOL-GFCCVEGCSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCC(C)C ZINC000126706332 490037851 /nfs/dbraw/zinc/03/78/51/490037851.db2.gz TVNBIJOHPHGTLC-QWHCGFSZSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000126706561 490037860 /nfs/dbraw/zinc/03/78/60/490037860.db2.gz TVNBIJOHPHGTLC-STQMWFEESA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCC(C)C ZINC000126706775 490037886 /nfs/dbraw/zinc/03/78/86/490037886.db2.gz TVNBIJOHPHGTLC-CHWSQXEVSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000126707004 490037864 /nfs/dbraw/zinc/03/78/64/490037864.db2.gz TVNBIJOHPHGTLC-OLZOCXBDSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCC[C@H](C)[NH2+]CCCCCC ZINC000126710055 573641003 /nfs/dbraw/zinc/64/10/03/573641003.db2.gz IONKMBJMJYRANO-LBPRGKRZSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]CCCCCC ZINC000126710267 573639382 /nfs/dbraw/zinc/63/93/82/573639382.db2.gz IONKMBJMJYRANO-GFCCVEGCSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000126788923 490039110 /nfs/dbraw/zinc/03/91/10/490039110.db2.gz ROKIQPVUECOWQY-AGIUHOORSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000126789164 490039179 /nfs/dbraw/zinc/03/91/79/490039179.db2.gz ROKIQPVUECOWQY-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000126789409 490039257 /nfs/dbraw/zinc/03/92/57/490039257.db2.gz ROKIQPVUECOWQY-FRRDWIJNSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000126789619 490039165 /nfs/dbraw/zinc/03/91/65/490039165.db2.gz ROKIQPVUECOWQY-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000126839662 573699650 /nfs/dbraw/zinc/69/96/50/573699650.db2.gz HHRGCJLUNHYTAZ-NEPJUHHUSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000126839889 573696425 /nfs/dbraw/zinc/69/64/25/573696425.db2.gz HHRGCJLUNHYTAZ-VXGBXAGGSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000126840120 573699407 /nfs/dbraw/zinc/69/94/07/573699407.db2.gz HHRGCJLUNHYTAZ-RYUDHWBXSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000126840359 573695218 /nfs/dbraw/zinc/69/52/18/573695218.db2.gz HHRGCJLUNHYTAZ-NWDGAFQWSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000126856638 490039835 /nfs/dbraw/zinc/03/98/35/490039835.db2.gz JQQWRRTWCHYPPZ-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000126856909 490040037 /nfs/dbraw/zinc/04/00/37/490040037.db2.gz JQQWRRTWCHYPPZ-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000126857164 490040031 /nfs/dbraw/zinc/04/00/31/490040031.db2.gz JQQWRRTWCHYPPZ-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000126857390 490039772 /nfs/dbraw/zinc/03/97/72/490039772.db2.gz JQQWRRTWCHYPPZ-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H](CC)CCC ZINC000126867808 490039888 /nfs/dbraw/zinc/03/98/88/490039888.db2.gz IWPMOOOHAAPVDY-NWDGAFQWSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)CCC ZINC000126868023 490039850 /nfs/dbraw/zinc/03/98/50/490039850.db2.gz IWPMOOOHAAPVDY-RYUDHWBXSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@H](CC)CCC ZINC000126868229 490039806 /nfs/dbraw/zinc/03/98/06/490039806.db2.gz IWPMOOOHAAPVDY-VXGBXAGGSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@@H](CC)CCC ZINC000126868471 490039960 /nfs/dbraw/zinc/03/99/60/490039960.db2.gz IWPMOOOHAAPVDY-NEPJUHHUSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000126873016 490040655 /nfs/dbraw/zinc/04/06/55/490040655.db2.gz IKAHWTCVZJOIFO-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000126873212 490040389 /nfs/dbraw/zinc/04/03/89/490040389.db2.gz IKAHWTCVZJOIFO-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H](C)C[C@H](C)CC ZINC000126880029 490040359 /nfs/dbraw/zinc/04/03/59/490040359.db2.gz LERYUUGGCXQNBW-FRRDWIJNSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)CC ZINC000126880232 490040334 /nfs/dbraw/zinc/04/03/34/490040334.db2.gz LERYUUGGCXQNBW-RWMBFGLXSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)CC ZINC000126880434 490040648 /nfs/dbraw/zinc/04/06/48/490040648.db2.gz LERYUUGGCXQNBW-AGIUHOORSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)CC ZINC000126880583 490040601 /nfs/dbraw/zinc/04/06/01/490040601.db2.gz LERYUUGGCXQNBW-AVGNSLFASA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000126890776 343799291 /nfs/dbraw/zinc/79/92/91/343799291.db2.gz HWWUUZBXURORQD-NSHDSACASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000126891006 343798939 /nfs/dbraw/zinc/79/89/39/343798939.db2.gz HWWUUZBXURORQD-LLVKDONJSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+]C1CCC(CC)CC1 ZINC000126894640 343799538 /nfs/dbraw/zinc/79/95/38/343799538.db2.gz STRXGRDXPDHMOD-HIFPTAJRSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+]C1CCC(CC)CC1 ZINC000126894918 343799871 /nfs/dbraw/zinc/79/98/71/343799871.db2.gz STRXGRDXPDHMOD-PNESKVBLSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000126895636 343799590 /nfs/dbraw/zinc/79/95/90/343799590.db2.gz UEUSXYWSSWJXSB-XQQFMLRXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000126895832 343799830 /nfs/dbraw/zinc/79/98/30/343799830.db2.gz UEUSXYWSSWJXSB-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000126896080 343799910 /nfs/dbraw/zinc/79/99/10/343799910.db2.gz UEUSXYWSSWJXSB-YNEHKIRRSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000126896311 343799643 /nfs/dbraw/zinc/79/96/43/343799643.db2.gz UEUSXYWSSWJXSB-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+]C(CCC)CCC ZINC000129420412 490050817 /nfs/dbraw/zinc/05/08/17/490050817.db2.gz BNVSIFOKBKNVTQ-NSHDSACASA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+]C(CCC)CCC ZINC000129420622 490051024 /nfs/dbraw/zinc/05/10/24/490051024.db2.gz BNVSIFOKBKNVTQ-LLVKDONJSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000129420839 490050850 /nfs/dbraw/zinc/05/08/50/490050850.db2.gz QCDNJTUAYWMFSG-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000129421079 490051066 /nfs/dbraw/zinc/05/10/66/490051066.db2.gz QCDNJTUAYWMFSG-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000129421326 490050766 /nfs/dbraw/zinc/05/07/66/490050766.db2.gz QCDNJTUAYWMFSG-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000129421539 490050991 /nfs/dbraw/zinc/05/09/91/490050991.db2.gz QCDNJTUAYWMFSG-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+]CC1CCCCCC1 ZINC000129940894 490054508 /nfs/dbraw/zinc/05/45/08/490054508.db2.gz VBXJYMPQGHJNOK-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC000129941089 490053807 /nfs/dbraw/zinc/05/38/07/490053807.db2.gz VBXJYMPQGHJNOK-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000149783063 756993704 /nfs/dbraw/zinc/99/37/04/756993704.db2.gz XJYPTNHOIYVNCP-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(CC)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000149783280 756995209 /nfs/dbraw/zinc/99/52/09/756995209.db2.gz XJYPTNHOIYVNCP-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000149856874 538010880 /nfs/dbraw/zinc/01/08/80/538010880.db2.gz QMJSAEXHKXVSJC-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000149857044 538009987 /nfs/dbraw/zinc/00/99/87/538009987.db2.gz QMJSAEXHKXVSJC-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C[C@H](C)[NH2+]C1CCC(CCC)CC1 ZINC000157243197 538019107 /nfs/dbraw/zinc/01/91/07/538019107.db2.gz IYTSHELSNXTUMT-HIFPTAJRSA-N 1 0 195.350 3.509 20 30 AHEDRO C=C[C@@H](C)[NH2+]C1CCC(CCC)CC1 ZINC000157243352 538020201 /nfs/dbraw/zinc/02/02/01/538020201.db2.gz IYTSHELSNXTUMT-PNESKVBLSA-N 1 0 195.350 3.509 20 30 AHEDRO C=C[C@H](C)[NH2+]C(CC(C)C)CC(C)C ZINC000157255063 538019238 /nfs/dbraw/zinc/01/92/38/538019238.db2.gz YTTAKKNNXNHFQT-LBPRGKRZSA-N 1 0 197.366 3.611 20 30 AHEDRO C=C[C@@H](C)[NH2+]C(CC(C)C)CC(C)C ZINC000157255202 538018616 /nfs/dbraw/zinc/01/86/16/538018616.db2.gz YTTAKKNNXNHFQT-GFCCVEGCSA-N 1 0 197.366 3.611 20 30 AHEDRO C=C[C@H](C)[NH2+][C@H](C)CCCCCC ZINC000157295909 697658208 /nfs/dbraw/zinc/65/82/08/697658208.db2.gz OJQNKFSISSUNIA-NWDGAFQWSA-N 1 0 183.339 3.509 20 30 AHEDRO C=C[C@H](C)[NH2+][C@@H](C)CCCCCC ZINC000157296094 673967201 /nfs/dbraw/zinc/96/72/01/673967201.db2.gz OJQNKFSISSUNIA-RYUDHWBXSA-N 1 0 183.339 3.509 20 30 AHEDRO C=C[C@@H](C)[NH2+][C@H](C)CCCCCC ZINC000157296251 673967246 /nfs/dbraw/zinc/96/72/46/673967246.db2.gz OJQNKFSISSUNIA-VXGBXAGGSA-N 1 0 183.339 3.509 20 30 AHEDRO C=C[C@@H](C)[NH2+][C@@H](C)CCCCCC ZINC000157296381 673967206 /nfs/dbraw/zinc/96/72/06/673967206.db2.gz OJQNKFSISSUNIA-NEPJUHHUSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000157470261 538021453 /nfs/dbraw/zinc/02/14/53/538021453.db2.gz MRZMYGHCLPTDPA-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000157470419 538024811 /nfs/dbraw/zinc/02/48/11/538024811.db2.gz MRZMYGHCLPTDPA-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000157470593 538024907 /nfs/dbraw/zinc/02/49/07/538024907.db2.gz MRZMYGHCLPTDPA-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000157470730 538024119 /nfs/dbraw/zinc/02/41/19/538024119.db2.gz MRZMYGHCLPTDPA-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000161651898 582490785 /nfs/dbraw/zinc/49/07/85/582490785.db2.gz PKYZPZYKXHFVER-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000161651995 582702125 /nfs/dbraw/zinc/70/21/25/582702125.db2.gz PKYZPZYKXHFVER-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000161652102 582702115 /nfs/dbraw/zinc/70/21/15/582702115.db2.gz PKYZPZYKXHFVER-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000161652253 582702438 /nfs/dbraw/zinc/70/24/38/582702438.db2.gz PKYZPZYKXHFVER-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](CC)CCCC ZINC000161658796 629952550 /nfs/dbraw/zinc/95/25/50/629952550.db2.gz ZSETZWYDRLXORJ-NWDGAFQWSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)CCCC ZINC000161658927 582702194 /nfs/dbraw/zinc/70/21/94/582702194.db2.gz ZSETZWYDRLXORJ-RYUDHWBXSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)CCCC ZINC000161659055 582701772 /nfs/dbraw/zinc/70/17/72/582701772.db2.gz ZSETZWYDRLXORJ-VXGBXAGGSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)CCCC ZINC000161659183 582701859 /nfs/dbraw/zinc/70/18/59/582701859.db2.gz ZSETZWYDRLXORJ-NEPJUHHUSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](C)CCCCC ZINC000161677799 629939549 /nfs/dbraw/zinc/93/95/49/629939549.db2.gz PVFVKSYDENSFBX-NWDGAFQWSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@H](C)CCCCC ZINC000161678093 629956335 /nfs/dbraw/zinc/95/63/35/629956335.db2.gz PVFVKSYDENSFBX-VXGBXAGGSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CCCCC ZINC000161678223 629940492 /nfs/dbraw/zinc/94/04/92/629940492.db2.gz PVFVKSYDENSFBX-NEPJUHHUSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](CC)C[C@H](C)CC ZINC000161682738 582702274 /nfs/dbraw/zinc/70/22/74/582702274.db2.gz NGVJNEDDLPRPRU-FRRDWIJNSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)C[C@H](C)CC ZINC000161682978 582702303 /nfs/dbraw/zinc/70/23/03/582702303.db2.gz NGVJNEDDLPRPRU-AGIUHOORSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000161683103 582702418 /nfs/dbraw/zinc/70/24/18/582702418.db2.gz NGVJNEDDLPRPRU-AVGNSLFASA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+]C1CCCCCCC1 ZINC000161683984 629940365 /nfs/dbraw/zinc/94/03/65/629940365.db2.gz XDTQWAAEYNTGPL-LBPRGKRZSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CC[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000161684125 629940482 /nfs/dbraw/zinc/94/04/82/629940482.db2.gz XDTQWAAEYNTGPL-GFCCVEGCSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](C)CCCCCC ZINC000161685548 629939369 /nfs/dbraw/zinc/93/93/69/629939369.db2.gz GVCGQFXWTYROQE-QWHCGFSZSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](C)CCCCCC ZINC000161685674 629939491 /nfs/dbraw/zinc/93/94/91/629939491.db2.gz GVCGQFXWTYROQE-STQMWFEESA-N 1 0 197.366 3.900 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@H](C)CCCCCC ZINC000161685785 629940118 /nfs/dbraw/zinc/94/01/18/629940118.db2.gz GVCGQFXWTYROQE-CHWSQXEVSA-N 1 0 197.366 3.900 20 30 AHEDRO CCCCCCC[NH2+][C@@H](C)C1CCC1 ZINC000162786662 673947934 /nfs/dbraw/zinc/94/79/34/673947934.db2.gz DIYWAEIGWFHXCR-LBPRGKRZSA-N 1 0 197.366 3.735 20 30 AHEDRO CCCCCCC[NH2+][C@H](C)C1CCC1 ZINC000162786785 673947943 /nfs/dbraw/zinc/94/79/43/673947943.db2.gz DIYWAEIGWFHXCR-GFCCVEGCSA-N 1 0 197.366 3.735 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CC ZINC000163501677 538134297 /nfs/dbraw/zinc/13/42/97/538134297.db2.gz XMTCLIRABRNCNZ-XQQFMLRXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CC ZINC000163501765 538133035 /nfs/dbraw/zinc/13/30/35/538133035.db2.gz XMTCLIRABRNCNZ-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CC ZINC000163501851 538083204 /nfs/dbraw/zinc/08/32/04/538083204.db2.gz XMTCLIRABRNCNZ-YNEHKIRRSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000163501951 538134577 /nfs/dbraw/zinc/13/45/77/538134577.db2.gz XMTCLIRABRNCNZ-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=C(C)CC[NH2+]C(C)(C)CC(C)(C)C ZINC000168026468 582463704 /nfs/dbraw/zinc/46/37/04/582463704.db2.gz LOTLRESSHDNUFP-UHFFFAOYSA-N 1 0 197.366 3.757 20 30 AHEDRO C=C(C)CC[NH2+]C(CC)(CC)CC ZINC000168047145 572211401 /nfs/dbraw/zinc/21/14/01/572211401.db2.gz YRVBGCOREFUXPZ-UHFFFAOYSA-N 1 0 183.339 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000168052429 572214693 /nfs/dbraw/zinc/21/46/93/572214693.db2.gz UDRJZRAKODMTEH-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H](C)C1CCCCC1 ZINC000168052529 572216076 /nfs/dbraw/zinc/21/60/76/572216076.db2.gz UDRJZRAKODMTEH-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H]1CCCC[C@H]1CC ZINC000168065161 541313098 /nfs/dbraw/zinc/31/30/98/541313098.db2.gz NIKVFRAKXYZMCZ-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000168065260 541313140 /nfs/dbraw/zinc/31/31/40/541313140.db2.gz NIKVFRAKXYZMCZ-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000168065356 541313323 /nfs/dbraw/zinc/31/33/23/541313323.db2.gz NIKVFRAKXYZMCZ-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000168065442 541313186 /nfs/dbraw/zinc/31/31/86/541313186.db2.gz NIKVFRAKXYZMCZ-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H]1CCCCC[C@H]1C ZINC000168065952 541313389 /nfs/dbraw/zinc/31/33/89/541313389.db2.gz LCWMARRKDAAVED-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000168066054 541313044 /nfs/dbraw/zinc/31/30/44/541313044.db2.gz LCWMARRKDAAVED-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000168066161 541313021 /nfs/dbraw/zinc/31/30/21/541313021.db2.gz LCWMARRKDAAVED-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000168066268 541313102 /nfs/dbraw/zinc/31/31/02/541313102.db2.gz LCWMARRKDAAVED-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000168067224 541313063 /nfs/dbraw/zinc/31/30/63/541313063.db2.gz ZTBTVEOXRLHDHD-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000168067336 541313289 /nfs/dbraw/zinc/31/32/89/541313289.db2.gz ZTBTVEOXRLHDHD-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H](C)CCCCC ZINC000168968152 630857158 /nfs/dbraw/zinc/85/71/58/630857158.db2.gz SPORXKYNCKLPJI-GFCCVEGCSA-N 1 0 183.339 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H](C)CCCCC ZINC000168968239 630857476 /nfs/dbraw/zinc/85/74/76/630857476.db2.gz SPORXKYNCKLPJI-LBPRGKRZSA-N 1 0 183.339 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H](C)CCCC(C)C ZINC000168968996 757019037 /nfs/dbraw/zinc/01/90/37/757019037.db2.gz UMHIEFWZZSDBRW-CYBMUJFWSA-N 1 0 197.366 3.757 20 30 AHEDRO C=C(C)CC[NH2+][C@@H](C)CCCC(C)C ZINC000168969088 757019364 /nfs/dbraw/zinc/01/93/64/757019364.db2.gz UMHIEFWZZSDBRW-ZDUSSCGKSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000169122646 757019388 /nfs/dbraw/zinc/01/93/88/757019388.db2.gz KQVPFMLAMVNWRC-AGIUHOORSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000169122720 757017799 /nfs/dbraw/zinc/01/77/99/757017799.db2.gz KQVPFMLAMVNWRC-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000169122806 757019554 /nfs/dbraw/zinc/01/95/54/757019554.db2.gz KQVPFMLAMVNWRC-FRRDWIJNSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000169122887 757018420 /nfs/dbraw/zinc/01/84/20/757018420.db2.gz KQVPFMLAMVNWRC-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+]CCC1CCCCC1 ZINC000169139350 538180095 /nfs/dbraw/zinc/18/00/95/538180095.db2.gz SBGZEQPFPWFUIN-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC000169139427 538180178 /nfs/dbraw/zinc/18/01/78/538180178.db2.gz SBGZEQPFPWFUIN-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO CCCCCCC[N@H+](C)CCCC ZINC000196726072 757025929 /nfs/dbraw/zinc/02/59/29/757025929.db2.gz CGFPTDSCMVOQHA-UHFFFAOYSA-N 1 0 185.355 3.689 20 30 AHEDRO CCCCCCC[N@H+](CC)CCC ZINC000196750788 757025052 /nfs/dbraw/zinc/02/50/52/757025052.db2.gz MNUXNPIVOFPUJD-UHFFFAOYSA-N 1 0 185.355 3.689 20 30 AHEDRO C=CC[NH+](CCC(C)C)CCC(C)C ZINC000196918219 630039111 /nfs/dbraw/zinc/03/91/11/630039111.db2.gz JEGZTGBKCCMOFI-UHFFFAOYSA-N 1 0 197.366 3.567 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)C(C)C ZINC000219269717 490072584 /nfs/dbraw/zinc/07/25/84/490072584.db2.gz GBDXDDXXLZLSPK-GFCCVEGCSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)C(C)C ZINC000219269764 490072262 /nfs/dbraw/zinc/07/22/62/490072262.db2.gz GBDXDDXXLZLSPK-LBPRGKRZSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCCC[NH+](CC(C)C)CC(C)C ZINC000221468487 344443951 /nfs/dbraw/zinc/44/39/51/344443951.db2.gz FXQSCZYSDNHKGS-UHFFFAOYSA-N 1 0 197.366 3.567 20 30 AHEDRO C=C[C@@H](C)[NH2+][C@@H](CC)C1CCCCC1 ZINC000224559653 630845378 /nfs/dbraw/zinc/84/53/78/630845378.db2.gz KDVLNVGIHKRVMX-YPMHNXCESA-N 1 0 195.350 3.509 20 30 AHEDRO C=C[C@H](C)[NH2+][C@@H](CC)C1CCCCC1 ZINC000224559702 630845458 /nfs/dbraw/zinc/84/54/58/630845458.db2.gz KDVLNVGIHKRVMX-AAEUAGOBSA-N 1 0 195.350 3.509 20 30 AHEDRO C=C[C@@H](C)[NH2+][C@H](CC)C1CCCCC1 ZINC000224559748 630846396 /nfs/dbraw/zinc/84/63/96/630846396.db2.gz KDVLNVGIHKRVMX-DGCLKSJQSA-N 1 0 195.350 3.509 20 30 AHEDRO C=C[C@H](C)[NH2+][C@H](CC)C1CCCCC1 ZINC000224559799 630846418 /nfs/dbraw/zinc/84/64/18/630846418.db2.gz KDVLNVGIHKRVMX-WCQYABFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC(C)(C)C[NH2+]C1CCCCC1 ZINC000225645447 487044755 /nfs/dbraw/zinc/04/47/55/487044755.db2.gz STYFVHGEVBOPBQ-UHFFFAOYSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C[C@@H](C)[NH2+][C@@H](C)C1CCCCCC1 ZINC000230649272 538210526 /nfs/dbraw/zinc/21/05/26/538210526.db2.gz RHGJUBIBXFRREG-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=C[C@H](C)[NH2+][C@@H](C)C1CCCCCC1 ZINC000230649277 538211926 /nfs/dbraw/zinc/21/19/26/538211926.db2.gz RHGJUBIBXFRREG-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=C[C@@H](C)[NH2+][C@H](C)C1CCCCCC1 ZINC000230649409 538211225 /nfs/dbraw/zinc/21/12/25/538211225.db2.gz RHGJUBIBXFRREG-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=C[C@H](C)[NH2+][C@H](C)C1CCCCCC1 ZINC000230649414 538212415 /nfs/dbraw/zinc/21/24/15/538212415.db2.gz RHGJUBIBXFRREG-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]CC1(CC)CCC1 ZINC000230665761 538214281 /nfs/dbraw/zinc/21/42/81/538214281.db2.gz CPKSQDUTNTWSEN-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@H](C)[NH2+]CC1(CC)CCC1 ZINC000230665764 538214366 /nfs/dbraw/zinc/21/43/66/538214366.db2.gz CPKSQDUTNTWSEN-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]CC1(CCC)CC1 ZINC000230668537 538214183 /nfs/dbraw/zinc/21/41/83/538214183.db2.gz KGZHFBKQJVVQFW-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@H](C)[NH2+]CC1(CCC)CC1 ZINC000230668542 538215065 /nfs/dbraw/zinc/21/50/65/538215065.db2.gz KGZHFBKQJVVQFW-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCCCC[NH2+]C(C)C ZINC000232658465 630903759 /nfs/dbraw/zinc/90/37/59/630903759.db2.gz PFWYCBROPARTQJ-UHFFFAOYSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCCCC[NH2+][C@H](C)[C@H](C)CC ZINC000233853293 538236435 /nfs/dbraw/zinc/23/64/35/538236435.db2.gz JUVUGBDNIBZXPB-CHWSQXEVSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCCC[NH2+][C@@H](C)[C@H](C)CC ZINC000233862074 538236304 /nfs/dbraw/zinc/23/63/04/538236304.db2.gz JUVUGBDNIBZXPB-OLZOCXBDSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCCC[NH2+][C@@H](C)[C@@H](C)CC ZINC000233991054 538234737 /nfs/dbraw/zinc/23/47/37/538234737.db2.gz JUVUGBDNIBZXPB-STQMWFEESA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCCC[NH2+][C@H](C)[C@@H](C)CC ZINC000234019981 538235092 /nfs/dbraw/zinc/23/50/92/538235092.db2.gz JUVUGBDNIBZXPB-QWHCGFSZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCCC[NH2+][C@@H](C)CC1CC1 ZINC000235070003 487101001 /nfs/dbraw/zinc/10/10/01/487101001.db2.gz BPXOYGTZHIBIDT-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCC[NH2+][C@H](C)C(C)(C)C ZINC000235203826 538244663 /nfs/dbraw/zinc/24/46/63/538244663.db2.gz RYBWAGBYNQNLHV-GFCCVEGCSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@H]1C ZINC000235259810 538241318 /nfs/dbraw/zinc/24/13/18/538241318.db2.gz VDFYBVJYPCIREK-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCC[NH2+][C@H]1CCC[C@H]1C ZINC000235265972 538242753 /nfs/dbraw/zinc/24/27/53/538242753.db2.gz VDFYBVJYPCIREK-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCC[NH2+][C@H](C)CC1CC1 ZINC000235429421 487103002 /nfs/dbraw/zinc/10/30/02/487103002.db2.gz BPXOYGTZHIBIDT-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCC[NH2+][C@@H](C)C(C)(C)C ZINC000235510689 538246421 /nfs/dbraw/zinc/24/64/21/538246421.db2.gz RYBWAGBYNQNLHV-LBPRGKRZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCCC[NH2+][C@H]1CCC[C@@H]1C ZINC000235554906 538245410 /nfs/dbraw/zinc/24/54/10/538245410.db2.gz VDFYBVJYPCIREK-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@@H]1C ZINC000235572225 538248768 /nfs/dbraw/zinc/24/87/68/538248768.db2.gz VDFYBVJYPCIREK-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252807175 538281099 /nfs/dbraw/zinc/28/10/99/538281099.db2.gz IHWZZZXQJUAAKR-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252807176 538281781 /nfs/dbraw/zinc/28/17/81/538281781.db2.gz IHWZZZXQJUAAKR-JHJVBQTASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[NH2+][C@H](C)CCCC ZINC000308179651 491082896 /nfs/dbraw/zinc/08/28/96/491082896.db2.gz BVYNPXBYUYXMFE-GFCCVEGCSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@@H](C)CCCC ZINC000308179652 491082927 /nfs/dbraw/zinc/08/29/27/491082927.db2.gz BVYNPXBYUYXMFE-LBPRGKRZSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCC[NH2+]C(CCC)CCC ZINC000308188336 491083474 /nfs/dbraw/zinc/08/34/74/491083474.db2.gz LOQMDKPLBQLDOS-UHFFFAOYSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CCCC ZINC000308210786 491084565 /nfs/dbraw/zinc/08/45/65/491084565.db2.gz GKCQKRRMHSWSCN-NEPJUHHUSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CCCC ZINC000308210787 491084516 /nfs/dbraw/zinc/08/45/16/491084516.db2.gz GKCQKRRMHSWSCN-NWDGAFQWSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CCCC ZINC000308210788 491084553 /nfs/dbraw/zinc/08/45/53/491084553.db2.gz GKCQKRRMHSWSCN-RYUDHWBXSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CCCC ZINC000308210789 491084550 /nfs/dbraw/zinc/08/45/50/491084550.db2.gz GKCQKRRMHSWSCN-VXGBXAGGSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCCCCC[C@@H](C)[NH2+]C(C)C ZINC000308222016 629847185 /nfs/dbraw/zinc/84/71/85/629847185.db2.gz CMXHEDMZPIWFLQ-GFCCVEGCSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCCCCC[C@H](C)[NH2+]C(C)C ZINC000308222018 573009324 /nfs/dbraw/zinc/00/93/24/573009324.db2.gz CMXHEDMZPIWFLQ-LBPRGKRZSA-N 1 0 183.339 3.509 20 30 AHEDRO CCCCCCC[N@H+](C)CC(C)C ZINC000308222819 573016074 /nfs/dbraw/zinc/01/60/74/573016074.db2.gz LXOWYHUGLYBNRY-UHFFFAOYSA-N 1 0 185.355 3.545 20 30 AHEDRO C=CCCCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000308453949 491105227 /nfs/dbraw/zinc/10/52/27/491105227.db2.gz COBNBBAKLCZEML-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000308453950 491105188 /nfs/dbraw/zinc/10/51/88/491105188.db2.gz COBNBBAKLCZEML-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000308461321 491105524 /nfs/dbraw/zinc/10/55/24/491105524.db2.gz GJSFSBDDAABEGT-GFCCVEGCSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000308461322 491105821 /nfs/dbraw/zinc/10/58/21/491105821.db2.gz GJSFSBDDAABEGT-LBPRGKRZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000308468102 491105904 /nfs/dbraw/zinc/10/59/04/491105904.db2.gz HUDUVHLVVYFWSQ-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@H]1CCCC[C@H]1C ZINC000308468104 491105853 /nfs/dbraw/zinc/10/58/53/491105853.db2.gz HUDUVHLVVYFWSQ-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000308468106 491105839 /nfs/dbraw/zinc/10/58/39/491105839.db2.gz HUDUVHLVVYFWSQ-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000308468108 491105875 /nfs/dbraw/zinc/10/58/75/491105875.db2.gz HUDUVHLVVYFWSQ-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@H](C)CC1CCC1 ZINC000308472266 491106042 /nfs/dbraw/zinc/10/60/42/491106042.db2.gz JGLOKZWDHCOAJW-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@@H](C)CC1CCC1 ZINC000308472268 491106022 /nfs/dbraw/zinc/10/60/22/491106022.db2.gz JGLOKZWDHCOAJW-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H]1CC ZINC000308482934 491106743 /nfs/dbraw/zinc/10/67/43/491106743.db2.gz NHNADLPZNPVNOV-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@H]1CCC[C@H]1CC ZINC000308482935 491106659 /nfs/dbraw/zinc/10/66/59/491106659.db2.gz NHNADLPZNPVNOV-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H]1CC ZINC000308482936 491106661 /nfs/dbraw/zinc/10/66/61/491106661.db2.gz NHNADLPZNPVNOV-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H]1CC ZINC000308482937 491106781 /nfs/dbraw/zinc/10/67/81/491106781.db2.gz NHNADLPZNPVNOV-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000308486722 491107040 /nfs/dbraw/zinc/10/70/40/491107040.db2.gz PDCLWJLWXJOXBO-NEPJUHHUSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000308486723 491107160 /nfs/dbraw/zinc/10/71/60/491107160.db2.gz PDCLWJLWXJOXBO-NWDGAFQWSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000308486724 491107106 /nfs/dbraw/zinc/10/71/06/491107106.db2.gz PDCLWJLWXJOXBO-RYUDHWBXSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000308486725 491107135 /nfs/dbraw/zinc/10/71/35/491107135.db2.gz PDCLWJLWXJOXBO-VXGBXAGGSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCCCCCCC[NH2+]CC1CC1 ZINC000308488388 573058745 /nfs/dbraw/zinc/05/87/45/573058745.db2.gz ASJZITYEINWYFC-UHFFFAOYSA-N 1 0 195.350 3.513 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+]CCC(C)C ZINC000308494829 491107547 /nfs/dbraw/zinc/10/75/47/491107547.db2.gz CWLXPIBUYBNWID-CYBMUJFWSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+]CCC(C)C ZINC000308494831 491107581 /nfs/dbraw/zinc/10/75/81/491107581.db2.gz CWLXPIBUYBNWID-ZDUSSCGKSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCC1 ZINC000308495765 630014138 /nfs/dbraw/zinc/01/41/38/630014138.db2.gz ACCLYWKKIGIAMV-GFCCVEGCSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CCCCCC[C@H](C)[NH2+]C1CCC1 ZINC000308495767 573101914 /nfs/dbraw/zinc/10/19/14/573101914.db2.gz ACCLYWKKIGIAMV-LBPRGKRZSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CCCC[NH2+]CC1CCCCCC1 ZINC000308508562 491109122 /nfs/dbraw/zinc/10/91/22/491109122.db2.gz AYDBORDYMRDBDR-UHFFFAOYSA-N 1 0 195.350 3.513 20 30 AHEDRO C=CCCCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000308508757 487202530 /nfs/dbraw/zinc/20/25/30/487202530.db2.gz QYYYKOZSCTZJOY-GFCCVEGCSA-N 1 0 197.366 3.615 20 30 AHEDRO C=CCCCC[NH2+]C[C@H](C)C(C)(C)C ZINC000308508758 487202507 /nfs/dbraw/zinc/20/25/07/487202507.db2.gz QYYYKOZSCTZJOY-LBPRGKRZSA-N 1 0 197.366 3.615 20 30 AHEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CC1(C)C ZINC000308509487 491109492 /nfs/dbraw/zinc/10/94/92/491109492.db2.gz KHPPUPZEJLMGQX-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CC1(C)C ZINC000308509490 491109437 /nfs/dbraw/zinc/10/94/37/491109437.db2.gz KHPPUPZEJLMGQX-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC1(C)C ZINC000308509492 491109450 /nfs/dbraw/zinc/10/94/50/491109450.db2.gz KHPPUPZEJLMGQX-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CC1(C)C ZINC000308509495 491109368 /nfs/dbraw/zinc/10/93/68/491109368.db2.gz KHPPUPZEJLMGQX-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000308510054 491109370 /nfs/dbraw/zinc/10/93/70/491109370.db2.gz KOVYHOWEYRUQQE-GFCCVEGCSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000308510055 491109443 /nfs/dbraw/zinc/10/94/43/491109443.db2.gz KOVYHOWEYRUQQE-LBPRGKRZSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCCCC[NH2+][C@H](C)C1CCCC1 ZINC000308512253 491109473 /nfs/dbraw/zinc/10/94/73/491109473.db2.gz SSQUNKRLUVDRGG-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@@H](C)C1CCCC1 ZINC000308512254 491109510 /nfs/dbraw/zinc/10/95/10/491109510.db2.gz SSQUNKRLUVDRGG-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000308518210 491109865 /nfs/dbraw/zinc/10/98/65/491109865.db2.gz WHGSGKBQCOEIIM-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000308518211 491109920 /nfs/dbraw/zinc/10/99/20/491109920.db2.gz WHGSGKBQCOEIIM-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000308518212 491109842 /nfs/dbraw/zinc/10/98/42/491109842.db2.gz WHGSGKBQCOEIIM-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000308518213 491109830 /nfs/dbraw/zinc/10/98/30/491109830.db2.gz WHGSGKBQCOEIIM-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCC[C@@H](C)[NH2+]CC(C)C ZINC000308548408 573300365 /nfs/dbraw/zinc/30/03/65/573300365.db2.gz WIWXMTABORRACP-CYBMUJFWSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCCC[C@H](C)[NH2+]CC(C)C ZINC000308548409 573301454 /nfs/dbraw/zinc/30/14/54/573301454.db2.gz WIWXMTABORRACP-ZDUSSCGKSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCCCC[NH2+][C@H](C)C1CC1 ZINC000308560907 630016963 /nfs/dbraw/zinc/01/69/63/630016963.db2.gz XICGUUXLJKEJSP-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCCC[NH2+][C@@H](C)C1CC1 ZINC000308560908 573351194 /nfs/dbraw/zinc/35/11/94/573351194.db2.gz XICGUUXLJKEJSP-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCCC[NH2+][C@@H]1CC[C@H]1C ZINC000308562780 573362478 /nfs/dbraw/zinc/36/24/78/573362478.db2.gz YMYXGNMHSOTFOB-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCCC[NH2+][C@H]1CC[C@H]1C ZINC000308562981 573360308 /nfs/dbraw/zinc/36/03/08/573360308.db2.gz YMYXGNMHSOTFOB-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCCC[NH2+][C@@H]1CC[C@@H]1C ZINC000308562982 573361962 /nfs/dbraw/zinc/36/19/62/573361962.db2.gz YMYXGNMHSOTFOB-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCCC[NH2+][C@H]1CC[C@@H]1C ZINC000308562983 573364300 /nfs/dbraw/zinc/36/43/00/573364300.db2.gz YMYXGNMHSOTFOB-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[C@@H](CC)[NH2+]C(CCC)CCC ZINC000308582193 491112724 /nfs/dbraw/zinc/11/27/24/491112724.db2.gz GXPBSPIVWLATMR-GFCCVEGCSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CC[C@H](CC)[NH2+]C(CCC)CCC ZINC000308582194 491112745 /nfs/dbraw/zinc/11/27/45/491112745.db2.gz GXPBSPIVWLATMR-LBPRGKRZSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCC[NH2+][C@@H]1CCCC[C@H]1CCC ZINC000308582868 491112927 /nfs/dbraw/zinc/11/29/27/491112927.db2.gz HIXNQUKBVMANMZ-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[NH2+][C@H]1CCCC[C@H]1CCC ZINC000308582869 491113004 /nfs/dbraw/zinc/11/30/04/491113004.db2.gz HIXNQUKBVMANMZ-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[NH2+][C@@H]1CCCC[C@@H]1CCC ZINC000308582870 491112966 /nfs/dbraw/zinc/11/29/66/491112966.db2.gz HIXNQUKBVMANMZ-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[NH2+][C@H]1CCCC[C@@H]1CCC ZINC000308582871 491112908 /nfs/dbraw/zinc/11/29/08/491112908.db2.gz HIXNQUKBVMANMZ-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1CCC ZINC000308590062 491113337 /nfs/dbraw/zinc/11/33/37/491113337.db2.gz JZEVGGBXZDDDBT-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)C[NH2+][C@H]1CCCC[C@H]1CCC ZINC000308590063 491113287 /nfs/dbraw/zinc/11/32/87/491113287.db2.gz JZEVGGBXZDDDBT-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1CCC ZINC000308590064 491113227 /nfs/dbraw/zinc/11/32/27/491113227.db2.gz JZEVGGBXZDDDBT-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)C[NH2+][C@H]1CCCC[C@@H]1CCC ZINC000308590066 491113277 /nfs/dbraw/zinc/11/32/77/491113277.db2.gz JZEVGGBXZDDDBT-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)C1CC1 ZINC000308593854 409740971 /nfs/dbraw/zinc/74/09/71/409740971.db2.gz LMRQQVVXLLMXIR-AAEUAGOBSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)C1CC1 ZINC000308593855 409739951 /nfs/dbraw/zinc/73/99/51/409739951.db2.gz LMRQQVVXLLMXIR-DGCLKSJQSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)C1CC1 ZINC000308593856 409739792 /nfs/dbraw/zinc/73/97/92/409739792.db2.gz LMRQQVVXLLMXIR-WCQYABFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)C1CC1 ZINC000308593857 409741053 /nfs/dbraw/zinc/74/10/53/409741053.db2.gz LMRQQVVXLLMXIR-YPMHNXCESA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[NH2+][C@H](C)[C@H](C)CC=C ZINC000308596897 491113675 /nfs/dbraw/zinc/11/36/75/491113675.db2.gz ZHXUNKCCPXRSDH-CHWSQXEVSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CCCCC[NH2+][C@@H](C)[C@H](C)CC=C ZINC000308597101 491113628 /nfs/dbraw/zinc/11/36/28/491113628.db2.gz ZHXUNKCCPXRSDH-OLZOCXBDSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CCCCC[NH2+][C@H](C)[C@@H](C)CC=C ZINC000308597102 491113613 /nfs/dbraw/zinc/11/36/13/491113613.db2.gz ZHXUNKCCPXRSDH-QWHCGFSZSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CCCCC[NH2+][C@@H](C)[C@@H](C)CC=C ZINC000308597103 491113639 /nfs/dbraw/zinc/11/36/39/491113639.db2.gz ZHXUNKCCPXRSDH-STQMWFEESA-N 1 0 195.350 3.533 20 30 AHEDRO C=CC[C@H](CC)[NH2+]C[C@@H](C)C(C)(C)C ZINC000308599995 487204575 /nfs/dbraw/zinc/20/45/75/487204575.db2.gz NYXLPCPCXLFBRS-NEPJUHHUSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CC[C@@H](CC)[NH2+]C[C@H](C)C(C)(C)C ZINC000308599996 487204761 /nfs/dbraw/zinc/20/47/61/487204761.db2.gz NYXLPCPCXLFBRS-NWDGAFQWSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CC[C@H](CC)[NH2+]C[C@H](C)C(C)(C)C ZINC000308599997 487204558 /nfs/dbraw/zinc/20/45/58/487204558.db2.gz NYXLPCPCXLFBRS-RYUDHWBXSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](C)C(C)(C)C ZINC000308599998 487204811 /nfs/dbraw/zinc/20/48/11/487204811.db2.gz NYXLPCPCXLFBRS-VXGBXAGGSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CC[C@@H](CC)[NH2+]CC1CCCCC1 ZINC000308604018 491113926 /nfs/dbraw/zinc/11/39/26/491113926.db2.gz PCEDWLXRGAMOEK-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[C@H](CC)[NH2+]CC1CCCCC1 ZINC000308604020 491114088 /nfs/dbraw/zinc/11/40/88/491114088.db2.gz PCEDWLXRGAMOEK-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCCC[NH2+]CC1(C)CC1 ZINC000308605286 573516092 /nfs/dbraw/zinc/51/60/92/573516092.db2.gz BPHVXUPTCGXPQI-UHFFFAOYSA-N 1 0 195.350 3.513 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C1(C)CC1 ZINC000308615552 573542111 /nfs/dbraw/zinc/54/21/11/573542111.db2.gz RRTVHUDBTKXNFQ-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)C1(C)CC1 ZINC000308615553 573538258 /nfs/dbraw/zinc/53/82/58/573538258.db2.gz RRTVHUDBTKXNFQ-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)C1(C)CC1 ZINC000308615554 573542033 /nfs/dbraw/zinc/54/20/33/573542033.db2.gz RRTVHUDBTKXNFQ-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)C1(C)CC1 ZINC000308615555 573537891 /nfs/dbraw/zinc/53/78/91/573537891.db2.gz RRTVHUDBTKXNFQ-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=C(C)C[NH2+][C@H](CCCC)C1CCC1 ZINC000308617003 491114476 /nfs/dbraw/zinc/11/44/76/491114476.db2.gz SAMDAUANJHIBGP-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)C[NH2+][C@@H](CCCC)C1CCC1 ZINC000308617005 491114438 /nfs/dbraw/zinc/11/44/38/491114438.db2.gz SAMDAUANJHIBGP-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000308622183 491114588 /nfs/dbraw/zinc/11/45/88/491114588.db2.gz UKPOSMGXNYNGLH-AAEUAGOBSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@@H](C)[NH2+][C@H](CC)C1CC1 ZINC000308622184 491114596 /nfs/dbraw/zinc/11/45/96/491114596.db2.gz UKPOSMGXNYNGLH-DGCLKSJQSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)C1CC1 ZINC000308622186 491114616 /nfs/dbraw/zinc/11/46/16/491114616.db2.gz UKPOSMGXNYNGLH-WCQYABFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000308622187 491114692 /nfs/dbraw/zinc/11/46/92/491114692.db2.gz UKPOSMGXNYNGLH-YPMHNXCESA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[NH2+][C@H](C)[C@H](C)CCCC ZINC000308625683 491114754 /nfs/dbraw/zinc/11/47/54/491114754.db2.gz VXUOEVUDBSAKEL-CHWSQXEVSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@@H](C)[C@H](C)CCCC ZINC000308625684 491114744 /nfs/dbraw/zinc/11/47/44/491114744.db2.gz VXUOEVUDBSAKEL-OLZOCXBDSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@H](C)[C@@H](C)CCCC ZINC000308625685 491114732 /nfs/dbraw/zinc/11/47/32/491114732.db2.gz VXUOEVUDBSAKEL-QWHCGFSZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000308625686 491114807 /nfs/dbraw/zinc/11/48/07/491114807.db2.gz VXUOEVUDBSAKEL-STQMWFEESA-N 1 0 197.366 3.757 20 30 AHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CC ZINC000308625718 491114767 /nfs/dbraw/zinc/11/47/67/491114767.db2.gz VZFKBVLWTHOZOV-NEPJUHHUSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CC ZINC000308625719 491114820 /nfs/dbraw/zinc/11/48/20/491114820.db2.gz VZFKBVLWTHOZOV-NWDGAFQWSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CC ZINC000308625720 491114742 /nfs/dbraw/zinc/11/47/42/491114742.db2.gz VZFKBVLWTHOZOV-RYUDHWBXSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CC ZINC000308625721 491114806 /nfs/dbraw/zinc/11/48/06/491114806.db2.gz VZFKBVLWTHOZOV-VXGBXAGGSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCCCCC[C@@H](C)[NH2+]CC1CC1 ZINC000308641683 573615484 /nfs/dbraw/zinc/61/54/84/573615484.db2.gz FAZCRJPGTKFLHO-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCC[C@H](C)[NH2+]CC1CC1 ZINC000308641685 573616044 /nfs/dbraw/zinc/61/60/44/573616044.db2.gz FAZCRJPGTKFLHO-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+]CC=C(C)C ZINC000308644798 491115871 /nfs/dbraw/zinc/11/58/71/491115871.db2.gz GZBJOUWNTWQUMP-CYBMUJFWSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+]CC=C(C)C ZINC000308644799 491115931 /nfs/dbraw/zinc/11/59/31/491115931.db2.gz GZBJOUWNTWQUMP-ZDUSSCGKSA-N 1 0 195.350 3.677 20 30 AHEDRO C=C[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC000308645576 491115861 /nfs/dbraw/zinc/11/58/61/491115861.db2.gz HLAFDTPBKFKSSN-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C[C@H](C)[NH2+]CCC1CCCCCC1 ZINC000308645577 491115814 /nfs/dbraw/zinc/11/58/14/491115814.db2.gz HLAFDTPBKFKSSN-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000308647307 491115913 /nfs/dbraw/zinc/11/59/13/491115913.db2.gz IIGLRFJWVQOGHP-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000308647308 491115879 /nfs/dbraw/zinc/11/58/79/491115879.db2.gz IIGLRFJWVQOGHP-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000308647309 491115840 /nfs/dbraw/zinc/11/58/40/491115840.db2.gz IIGLRFJWVQOGHP-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000308647310 491115926 /nfs/dbraw/zinc/11/59/26/491115926.db2.gz IIGLRFJWVQOGHP-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[NH2+][C@H](C)CC1CCCC1 ZINC000308652935 491116224 /nfs/dbraw/zinc/11/62/24/491116224.db2.gz MAWIHPZHOYQXRA-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[NH2+][C@@H](C)CC1CCCC1 ZINC000308652936 491116128 /nfs/dbraw/zinc/11/61/28/491116128.db2.gz MAWIHPZHOYQXRA-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)C=C ZINC000308653503 573647698 /nfs/dbraw/zinc/64/76/98/573647698.db2.gz MKLUCHSVGDGEBS-CHWSQXEVSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)C=C ZINC000308653504 573643221 /nfs/dbraw/zinc/64/32/21/573643221.db2.gz MKLUCHSVGDGEBS-OLZOCXBDSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)C=C ZINC000308653505 573643016 /nfs/dbraw/zinc/64/30/16/573643016.db2.gz MKLUCHSVGDGEBS-QWHCGFSZSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)C=C ZINC000308653506 573642751 /nfs/dbraw/zinc/64/27/51/573642751.db2.gz MKLUCHSVGDGEBS-STQMWFEESA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000308654866 409746220 /nfs/dbraw/zinc/74/62/20/409746220.db2.gz NLQVDWMTAZOQOX-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000308654867 409748395 /nfs/dbraw/zinc/74/83/95/409748395.db2.gz NLQVDWMTAZOQOX-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000308654868 409746511 /nfs/dbraw/zinc/74/65/11/409746511.db2.gz NLQVDWMTAZOQOX-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000308654869 409748388 /nfs/dbraw/zinc/74/83/88/409748388.db2.gz NLQVDWMTAZOQOX-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+]C1CC(C)C1 ZINC000308655942 491116369 /nfs/dbraw/zinc/11/63/69/491116369.db2.gz ODYNPYXMEPZHHK-CPCZMJQVSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+]C1CC(C)C1 ZINC000308655943 491116417 /nfs/dbraw/zinc/11/64/17/491116417.db2.gz ODYNPYXMEPZHHK-OTTFEQOBSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000308662560 409747912 /nfs/dbraw/zinc/74/79/12/409747912.db2.gz QVNUCAFWYOQVQX-QJPTWQEYSA-N 1 0 197.366 3.611 20 30 AHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000308662564 409747297 /nfs/dbraw/zinc/74/72/97/409747297.db2.gz QVNUCAFWYOQVQX-SDDRHHMPSA-N 1 0 197.366 3.611 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000308669322 491117052 /nfs/dbraw/zinc/11/70/52/491117052.db2.gz URLKNVBZAMITDF-CHWSQXEVSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000308669329 491116910 /nfs/dbraw/zinc/11/69/10/491116910.db2.gz URLKNVBZAMITDF-OLZOCXBDSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000308669338 491116964 /nfs/dbraw/zinc/11/69/64/491116964.db2.gz URLKNVBZAMITDF-QWHCGFSZSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000308669583 491116994 /nfs/dbraw/zinc/11/69/94/491116994.db2.gz URLKNVBZAMITDF-STQMWFEESA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000308674690 491117158 /nfs/dbraw/zinc/11/71/58/491117158.db2.gz VVMUAZGJNAHIHJ-CHWSQXEVSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000308674693 491117177 /nfs/dbraw/zinc/11/71/77/491117177.db2.gz VVMUAZGJNAHIHJ-OLZOCXBDSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C(C)C ZINC000308674696 491117157 /nfs/dbraw/zinc/11/71/57/491117157.db2.gz VVMUAZGJNAHIHJ-QWHCGFSZSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000308674699 491117160 /nfs/dbraw/zinc/11/71/60/491117160.db2.gz VVMUAZGJNAHIHJ-STQMWFEESA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+]C1CCCC1 ZINC000308677018 491117176 /nfs/dbraw/zinc/11/71/76/491117176.db2.gz WMQGRKPUCLYSDF-GFCCVEGCSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+]C1CCCC1 ZINC000308677019 491117139 /nfs/dbraw/zinc/11/71/39/491117139.db2.gz WMQGRKPUCLYSDF-LBPRGKRZSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CCCC[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000308683426 491117276 /nfs/dbraw/zinc/11/72/76/491117276.db2.gz YNPSCILAIZNBEW-LLVKDONJSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000308683429 491117319 /nfs/dbraw/zinc/11/73/19/491117319.db2.gz YNPSCILAIZNBEW-NSHDSACASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[NH2+][C@H](C)CCC1CC1 ZINC000308685713 491117546 /nfs/dbraw/zinc/11/75/46/491117546.db2.gz ZJGCHPIOETXVJR-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@@H](C)CCC1CC1 ZINC000308685714 491117624 /nfs/dbraw/zinc/11/76/24/491117624.db2.gz ZJGCHPIOETXVJR-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C[C@@H](C)[NH2+]CCCC1CCCCC1 ZINC000308686549 491117697 /nfs/dbraw/zinc/11/76/97/491117697.db2.gz ZSUJCIZIWXGHED-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C[C@H](C)[NH2+]CCCC1CCCCC1 ZINC000308686550 491117696 /nfs/dbraw/zinc/11/76/96/491117696.db2.gz ZSUJCIZIWXGHED-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000308698454 573742210 /nfs/dbraw/zinc/74/22/10/573742210.db2.gz UQZACCDLGBJXPR-AGIUHOORSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC[C@H](C)C1 ZINC000308698457 573741718 /nfs/dbraw/zinc/74/17/18/573741718.db2.gz UQZACCDLGBJXPR-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000308698461 573743052 /nfs/dbraw/zinc/74/30/52/573743052.db2.gz UQZACCDLGBJXPR-FRRDWIJNSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000308698463 630021992 /nfs/dbraw/zinc/02/19/92/630021992.db2.gz UQZACCDLGBJXPR-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[NH2+]CC1(C)CCCC1 ZINC000308711785 573770831 /nfs/dbraw/zinc/77/08/31/573770831.db2.gz ZGWLMMUFBDOQTD-UHFFFAOYSA-N 1 0 195.350 3.513 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+]CCC1CCC1 ZINC000308716962 573774726 /nfs/dbraw/zinc/77/47/26/573774726.db2.gz BQWPUHCJXVCXMK-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@H](CC)[NH2+]CCC1CCC1 ZINC000308716963 630021812 /nfs/dbraw/zinc/02/18/12/630021812.db2.gz BQWPUHCJXVCXMK-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+][C@H](CC)CC=C ZINC000308717226 491117819 /nfs/dbraw/zinc/11/78/19/491117819.db2.gz BUBXEOWQBWIGCK-CHWSQXEVSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)CC=C ZINC000308717445 491117742 /nfs/dbraw/zinc/11/77/42/491117742.db2.gz BUBXEOWQBWIGCK-OLZOCXBDSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CC)CC=C ZINC000308717446 491117751 /nfs/dbraw/zinc/11/77/51/491117751.db2.gz BUBXEOWQBWIGCK-QWHCGFSZSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)CC=C ZINC000308717447 491117820 /nfs/dbraw/zinc/11/78/20/491117820.db2.gz BUBXEOWQBWIGCK-STQMWFEESA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+]C(CC)CC ZINC000308724764 491118082 /nfs/dbraw/zinc/11/80/82/491118082.db2.gz GAAXUDCDHXTOKE-GFCCVEGCSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+]C(CC)CC ZINC000308724765 491118012 /nfs/dbraw/zinc/11/80/12/491118012.db2.gz GAAXUDCDHXTOKE-LBPRGKRZSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCCC[NH2+][C@H](CCC)CCC=C ZINC000308729586 491118256 /nfs/dbraw/zinc/11/82/56/491118256.db2.gz IQIDMXNQAXDIRM-CYBMUJFWSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCCC[NH2+][C@@H](CCC)CCC=C ZINC000308729587 491118272 /nfs/dbraw/zinc/11/82/72/491118272.db2.gz IQIDMXNQAXDIRM-ZDUSSCGKSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000308729660 491118265 /nfs/dbraw/zinc/11/82/65/491118265.db2.gz ITXVKEQWRRPRRD-AGIUHOORSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000308729662 491118283 /nfs/dbraw/zinc/11/82/83/491118283.db2.gz ITXVKEQWRRPRRD-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000308729663 491118301 /nfs/dbraw/zinc/11/83/01/491118301.db2.gz ITXVKEQWRRPRRD-FRRDWIJNSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000308729665 491118291 /nfs/dbraw/zinc/11/82/91/491118291.db2.gz ITXVKEQWRRPRRD-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[NH2+][C@H](CC)[C@H](C)CCC ZINC000308730023 491118270 /nfs/dbraw/zinc/11/82/70/491118270.db2.gz IUBHUCTZLMOISP-CHWSQXEVSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@@H](CC)[C@H](C)CCC ZINC000308730024 491118177 /nfs/dbraw/zinc/11/81/77/491118177.db2.gz IUBHUCTZLMOISP-OLZOCXBDSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@H](CC)[C@@H](C)CCC ZINC000308730025 491118279 /nfs/dbraw/zinc/11/82/79/491118279.db2.gz IUBHUCTZLMOISP-QWHCGFSZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000308730026 491118314 /nfs/dbraw/zinc/11/83/14/491118314.db2.gz IUBHUCTZLMOISP-STQMWFEESA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+]CCC=C(C)C ZINC000308735396 491118427 /nfs/dbraw/zinc/11/84/27/491118427.db2.gz LFIHIRJWOHHMDN-CYBMUJFWSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCC[C@H](CC)[NH2+]CCC=C(C)C ZINC000308735397 491118464 /nfs/dbraw/zinc/11/84/64/491118464.db2.gz LFIHIRJWOHHMDN-ZDUSSCGKSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)CCC ZINC000308739520 491118575 /nfs/dbraw/zinc/11/85/75/491118575.db2.gz NPJRTOCRXCGMFS-CHWSQXEVSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)CCC ZINC000308739521 491118598 /nfs/dbraw/zinc/11/85/98/491118598.db2.gz NPJRTOCRXCGMFS-OLZOCXBDSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)CCC ZINC000308739522 491118672 /nfs/dbraw/zinc/11/86/72/491118672.db2.gz NPJRTOCRXCGMFS-QWHCGFSZSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)CCC ZINC000308739523 491118656 /nfs/dbraw/zinc/11/86/56/491118656.db2.gz NPJRTOCRXCGMFS-STQMWFEESA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCC[C@@H](CCC)[NH2+]CC1(C)CC1 ZINC000308740943 491118648 /nfs/dbraw/zinc/11/86/48/491118648.db2.gz OSTXGGIYFSWPJA-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+]CC1(C)CC1 ZINC000308740946 491118590 /nfs/dbraw/zinc/11/85/90/491118590.db2.gz OSTXGGIYFSWPJA-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CCC1CC1 ZINC000308743838 491118681 /nfs/dbraw/zinc/11/86/81/491118681.db2.gz QGEZRUYYTFDXAE-AAEUAGOBSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CCC1CC1 ZINC000308743840 491118568 /nfs/dbraw/zinc/11/85/68/491118568.db2.gz QGEZRUYYTFDXAE-DGCLKSJQSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CCC1CC1 ZINC000308743841 491118636 /nfs/dbraw/zinc/11/86/36/491118636.db2.gz QGEZRUYYTFDXAE-WCQYABFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CCC1CC1 ZINC000308743842 491118629 /nfs/dbraw/zinc/11/86/29/491118629.db2.gz QGEZRUYYTFDXAE-YPMHNXCESA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCC(C)(C)C1 ZINC000308746915 491118781 /nfs/dbraw/zinc/11/87/81/491118781.db2.gz RRSOLXAUIKZIPP-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000308746916 491118830 /nfs/dbraw/zinc/11/88/30/491118830.db2.gz RRSOLXAUIKZIPP-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC(C)(C)C1 ZINC000308746918 491118803 /nfs/dbraw/zinc/11/88/03/491118803.db2.gz RRSOLXAUIKZIPP-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000308746920 491118757 /nfs/dbraw/zinc/11/87/57/491118757.db2.gz RRSOLXAUIKZIPP-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000308749721 491118735 /nfs/dbraw/zinc/11/87/35/491118735.db2.gz TUKUGARDQHOBBQ-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)C[NH2+][C@H]1CCC[C@H]1CCCC ZINC000308749724 491118820 /nfs/dbraw/zinc/11/88/20/491118820.db2.gz TUKUGARDQHOBBQ-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000308749728 491118771 /nfs/dbraw/zinc/11/87/71/491118771.db2.gz TUKUGARDQHOBBQ-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000308749731 491118844 /nfs/dbraw/zinc/11/88/44/491118844.db2.gz TUKUGARDQHOBBQ-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)[C@H](C)CCC ZINC000308756830 491118963 /nfs/dbraw/zinc/11/89/63/491118963.db2.gz WQCQSIMFBPBDGE-AGIUHOORSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000308756832 491119016 /nfs/dbraw/zinc/11/90/16/491119016.db2.gz WQCQSIMFBPBDGE-AVGNSLFASA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](CC)[C@H](C)CCC ZINC000308756834 491118929 /nfs/dbraw/zinc/11/89/29/491118929.db2.gz WQCQSIMFBPBDGE-FRRDWIJNSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](CC)[C@@H](C)CCC ZINC000308756836 491119027 /nfs/dbraw/zinc/11/90/27/491119027.db2.gz WQCQSIMFBPBDGE-RWMBFGLXSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](CC)[NH2+]C1CCC(C)CC1 ZINC000308762050 491118968 /nfs/dbraw/zinc/11/89/68/491118968.db2.gz YJBWQNLMLVAVFN-CPCZMJQVSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+]C1CCC(C)CC1 ZINC000308762051 491118964 /nfs/dbraw/zinc/11/89/64/491118964.db2.gz YJBWQNLMLVAVFN-OTTFEQOBSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](CCC)[NH2+]CC=C(C)C ZINC000308762148 491118936 /nfs/dbraw/zinc/11/89/36/491118936.db2.gz YNNUJTAXYPZBNY-CYBMUJFWSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+]CC=C(C)C ZINC000308762150 491118923 /nfs/dbraw/zinc/11/89/23/491118923.db2.gz YNNUJTAXYPZBNY-ZDUSSCGKSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@H](C)CCCC ZINC000310175738 409773499 /nfs/dbraw/zinc/77/34/99/409773499.db2.gz RIKJDTCBEYZUQT-GFCCVEGCSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CCCC ZINC000310175739 409775431 /nfs/dbraw/zinc/77/54/31/409775431.db2.gz RIKJDTCBEYZUQT-LBPRGKRZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@H](C)CC ZINC000310361783 409773933 /nfs/dbraw/zinc/77/39/33/409773933.db2.gz UOPKMUTUYUPULK-NEPJUHHUSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@@H](C)CC ZINC000310361785 409775624 /nfs/dbraw/zinc/77/56/24/409775624.db2.gz UOPKMUTUYUPULK-NWDGAFQWSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H](C)CC ZINC000310361787 409775590 /nfs/dbraw/zinc/77/55/90/409775590.db2.gz UOPKMUTUYUPULK-RYUDHWBXSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@H](C)CC ZINC000310361788 409775287 /nfs/dbraw/zinc/77/52/87/409775287.db2.gz UOPKMUTUYUPULK-VXGBXAGGSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@H](CC)C(C)C ZINC000310364723 409774888 /nfs/dbraw/zinc/77/48/88/409774888.db2.gz VPYUJISQPYNAJY-GFCCVEGCSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@@H](CC)C(C)C ZINC000310364724 409775689 /nfs/dbraw/zinc/77/56/89/409775689.db2.gz VPYUJISQPYNAJY-LBPRGKRZSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC(C)(C)C[NH2+]CCC(C)(C)C ZINC000310518697 409774154 /nfs/dbraw/zinc/77/41/54/409774154.db2.gz WBAYERWWKVRLHU-UHFFFAOYSA-N 1 0 197.366 3.615 20 30 AHEDRO C=CCC(C)(C)C[NH2+]CC(CC)CC ZINC000310542989 409774571 /nfs/dbraw/zinc/77/45/71/409774571.db2.gz CUXFMIKREDZKOP-UHFFFAOYSA-N 1 0 197.366 3.615 20 30 AHEDRO C=CCC(C)(C)C[NH2+]CCCC(C)C ZINC000310550747 409773829 /nfs/dbraw/zinc/77/38/29/409773829.db2.gz GHQILSWKHMNXOW-UHFFFAOYSA-N 1 0 197.366 3.615 20 30 AHEDRO C=C(C)CC[NH2+][C@H](CCC)C1CCC1 ZINC000322250692 487219511 /nfs/dbraw/zinc/21/95/11/487219511.db2.gz CVZLSVSYHSOAGE-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H](CCC)C1CCC1 ZINC000322250693 487219625 /nfs/dbraw/zinc/21/96/25/487219625.db2.gz CVZLSVSYHSOAGE-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](CCC)C1CCC1 ZINC000322615800 487222144 /nfs/dbraw/zinc/22/21/44/487222144.db2.gz DOGZTLXLUADEMP-AAEUAGOBSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@H](CCC)C1CCC1 ZINC000322615801 487222075 /nfs/dbraw/zinc/22/20/75/487222075.db2.gz DOGZTLXLUADEMP-DGCLKSJQSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](CCC)C1CCC1 ZINC000322615802 487222087 /nfs/dbraw/zinc/22/20/87/487222087.db2.gz DOGZTLXLUADEMP-WCQYABFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@@H](CCC)C1CCC1 ZINC000322615803 487222336 /nfs/dbraw/zinc/22/23/36/487222336.db2.gz DOGZTLXLUADEMP-YPMHNXCESA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCCC[NH2+][C@H](CC)C1CC1 ZINC000323776576 487224588 /nfs/dbraw/zinc/22/45/88/487224588.db2.gz ZATZDFGNFJHVRB-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCC[NH2+][C@@H](CC)C1CC1 ZINC000323776577 487224544 /nfs/dbraw/zinc/22/45/44/487224544.db2.gz ZATZDFGNFJHVRB-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@H](CC)CCC ZINC000379347426 538357630 /nfs/dbraw/zinc/35/76/30/538357630.db2.gz HCQSIARFLFBFMD-GFCCVEGCSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@@H](CC)CCC ZINC000379347428 538356215 /nfs/dbraw/zinc/35/62/15/538356215.db2.gz HCQSIARFLFBFMD-LBPRGKRZSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCC[NH2+][C@H](CC)CCCC ZINC000379369604 582553173 /nfs/dbraw/zinc/55/31/73/582553173.db2.gz QEFMQNBYFGJIMF-GFCCVEGCSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCC[NH2+][C@@H](CC)CCCC ZINC000379369606 582553206 /nfs/dbraw/zinc/55/32/06/582553206.db2.gz QEFMQNBYFGJIMF-LBPRGKRZSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCCCCC[NH2+][C@H](C)CC ZINC000379373815 697850494 /nfs/dbraw/zinc/85/04/94/697850494.db2.gz XTRDIOZBWJWTQV-GFCCVEGCSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCCCCCC[NH2+][C@@H](C)CC ZINC000379373816 697850400 /nfs/dbraw/zinc/85/04/00/697850400.db2.gz XTRDIOZBWJWTQV-LBPRGKRZSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)CC ZINC000379416781 538408496 /nfs/dbraw/zinc/40/84/96/538408496.db2.gz SHWKMTGWFDNZBO-NEPJUHHUSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)CC ZINC000379416782 538409236 /nfs/dbraw/zinc/40/92/36/538409236.db2.gz SHWKMTGWFDNZBO-NWDGAFQWSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)CC ZINC000379416783 538410067 /nfs/dbraw/zinc/41/00/67/538410067.db2.gz SHWKMTGWFDNZBO-RYUDHWBXSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)CC ZINC000379416784 538409511 /nfs/dbraw/zinc/40/95/11/538409511.db2.gz SHWKMTGWFDNZBO-VXGBXAGGSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCCC[NH2+][C@H](CC)C[C@H](C)CC ZINC000379496280 538412101 /nfs/dbraw/zinc/41/21/01/538412101.db2.gz ZTIHHJCVXAQRBF-CHWSQXEVSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@@H](CC)C[C@H](C)CC ZINC000379496281 538411785 /nfs/dbraw/zinc/41/17/85/538411785.db2.gz ZTIHHJCVXAQRBF-OLZOCXBDSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@H](CC)C[C@@H](C)CC ZINC000379496282 538410834 /nfs/dbraw/zinc/41/08/34/538410834.db2.gz ZTIHHJCVXAQRBF-QWHCGFSZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000379496284 538411409 /nfs/dbraw/zinc/41/14/09/538411409.db2.gz ZTIHHJCVXAQRBF-STQMWFEESA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCC[NH2+]C1CCCCCC1 ZINC000379509157 538413519 /nfs/dbraw/zinc/41/35/19/538413519.db2.gz VCXPCSUIUUSPRD-UHFFFAOYSA-N 1 0 195.350 3.655 20 30 AHEDRO C=CCCCC[NH2+][C@H](C)CCC(C)C ZINC000379541602 538413019 /nfs/dbraw/zinc/41/30/19/538413019.db2.gz QFXJQLGWSHQBPS-CYBMUJFWSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCC[NH2+][C@@H](C)CCC(C)C ZINC000379541604 538412498 /nfs/dbraw/zinc/41/24/98/538412498.db2.gz QFXJQLGWSHQBPS-ZDUSSCGKSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCC[NH2+][C@@H]1CCCC1(C)C ZINC000379546399 538415662 /nfs/dbraw/zinc/41/56/62/538415662.db2.gz XBWWCLUBQZQGGF-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+][C@H]1CCCC1(C)C ZINC000379546400 538414619 /nfs/dbraw/zinc/41/46/19/538414619.db2.gz XBWWCLUBQZQGGF-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO CCCCCCC[NH2+][C@H](CC)C1CC1 ZINC000379563522 697899872 /nfs/dbraw/zinc/89/98/72/697899872.db2.gz AGKODZOWFYLFAH-CYBMUJFWSA-N 1 0 197.366 3.735 20 30 AHEDRO CCCCCCC[NH2+][C@@H](CC)C1CC1 ZINC000379563523 697899890 /nfs/dbraw/zinc/89/98/90/697899890.db2.gz AGKODZOWFYLFAH-ZDUSSCGKSA-N 1 0 197.366 3.735 20 30 AHEDRO C=CCCCC[NH2+]C1CCC(C)CC1 ZINC000379569568 538414760 /nfs/dbraw/zinc/41/47/60/538414760.db2.gz GGCRNTIOAQWYNT-UHFFFAOYSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CCC(C)C ZINC000379570845 538416357 /nfs/dbraw/zinc/41/63/57/538416357.db2.gz DEGFTHGWDKGBOC-CHWSQXEVSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CCC(C)C ZINC000379570846 538417289 /nfs/dbraw/zinc/41/72/89/538417289.db2.gz DEGFTHGWDKGBOC-OLZOCXBDSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CCC(C)C ZINC000379570847 538416349 /nfs/dbraw/zinc/41/63/49/538416349.db2.gz DEGFTHGWDKGBOC-QWHCGFSZSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CCC(C)C ZINC000379570848 538416539 /nfs/dbraw/zinc/41/65/39/538416539.db2.gz DEGFTHGWDKGBOC-STQMWFEESA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCC1(C)C ZINC000379573007 697900209 /nfs/dbraw/zinc/90/02/09/697900209.db2.gz HQMUTDWLOKFODC-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC1(C)C ZINC000379573008 697900178 /nfs/dbraw/zinc/90/01/78/697900178.db2.gz HQMUTDWLOKFODC-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCC1(C)C ZINC000379573009 697900465 /nfs/dbraw/zinc/90/04/65/697900465.db2.gz HQMUTDWLOKFODC-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCC1(C)C ZINC000379573012 697900341 /nfs/dbraw/zinc/90/03/41/697900341.db2.gz HQMUTDWLOKFODC-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](CC)CC=C ZINC000379574207 538417291 /nfs/dbraw/zinc/41/72/91/538417291.db2.gz JWWHAJBKUCZYTH-AGIUHOORSA-N 1 0 195.350 3.531 20 30 AHEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)CC=C ZINC000379574210 538416441 /nfs/dbraw/zinc/41/64/41/538416441.db2.gz JWWHAJBKUCZYTH-AVGNSLFASA-N 1 0 195.350 3.531 20 30 AHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](CC)CC=C ZINC000379574211 538417302 /nfs/dbraw/zinc/41/73/02/538417302.db2.gz JWWHAJBKUCZYTH-UPJWGTAASA-N 1 0 195.350 3.531 20 30 AHEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)CC=C ZINC000379574212 538416468 /nfs/dbraw/zinc/41/64/68/538416468.db2.gz JWWHAJBKUCZYTH-XQQFMLRXSA-N 1 0 195.350 3.531 20 30 AHEDRO C=CC[C@@H](CC)[NH2+]C1CCCCCC1 ZINC000379574416 538416702 /nfs/dbraw/zinc/41/67/02/538416702.db2.gz KECMTNLHOLSIIT-GFCCVEGCSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CC[C@H](CC)[NH2+]C1CCCCCC1 ZINC000379574417 538416298 /nfs/dbraw/zinc/41/62/98/538416298.db2.gz KECMTNLHOLSIIT-LBPRGKRZSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CCCCCCC[NH2+][C@H](C)C(C)C ZINC000379575059 697900884 /nfs/dbraw/zinc/90/08/84/697900884.db2.gz JRXIVEKGPHDSFJ-CYBMUJFWSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCCCC[NH2+][C@@H](C)C(C)C ZINC000379575060 697900881 /nfs/dbraw/zinc/90/08/81/697900881.db2.gz JRXIVEKGPHDSFJ-ZDUSSCGKSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)C1CCCC1 ZINC000379575754 538417066 /nfs/dbraw/zinc/41/70/66/538417066.db2.gz MOUKSWODLYBYJB-AAEUAGOBSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)C1CCCC1 ZINC000379575755 538416041 /nfs/dbraw/zinc/41/60/41/538416041.db2.gz MOUKSWODLYBYJB-DGCLKSJQSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)C1CCCC1 ZINC000379575757 538416739 /nfs/dbraw/zinc/41/67/39/538416739.db2.gz MOUKSWODLYBYJB-WCQYABFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H](C)C1CCCC1 ZINC000379575762 538416980 /nfs/dbraw/zinc/41/69/80/538416980.db2.gz MOUKSWODLYBYJB-YPMHNXCESA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+]CC(CC)(CC)CC ZINC000379576654 538415964 /nfs/dbraw/zinc/41/59/64/538415964.db2.gz ANSZEPQWNXMCEW-GFCCVEGCSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CC[C@H](C)[NH2+]CC(CC)(CC)CC ZINC000379576656 538417199 /nfs/dbraw/zinc/41/71/99/538417199.db2.gz ANSZEPQWNXMCEW-LBPRGKRZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC[C@@H]([NH2+]CCCCC)C1CC1 ZINC000379581874 538417580 /nfs/dbraw/zinc/41/75/80/538417580.db2.gz LFQYMUADQNJTJB-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@H]([NH2+]CCCCC)C1CC1 ZINC000379581875 538417613 /nfs/dbraw/zinc/41/76/13/538417613.db2.gz LFQYMUADQNJTJB-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@H](CC)CCCC ZINC000379584588 538419140 /nfs/dbraw/zinc/41/91/40/538419140.db2.gz OKTIUSYENPVAKB-CHWSQXEVSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@@H](CC)CCCC ZINC000379584589 538419202 /nfs/dbraw/zinc/41/92/02/538419202.db2.gz OKTIUSYENPVAKB-OLZOCXBDSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H](CC)CCCC ZINC000379584590 538417783 /nfs/dbraw/zinc/41/77/83/538417783.db2.gz OKTIUSYENPVAKB-QWHCGFSZSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)CCCC ZINC000379584591 538418489 /nfs/dbraw/zinc/41/84/89/538418489.db2.gz OKTIUSYENPVAKB-STQMWFEESA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000379584658 538419072 /nfs/dbraw/zinc/41/90/72/538419072.db2.gz ONYLUCFJDVKLLX-AGIUHOORSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000379584659 538417550 /nfs/dbraw/zinc/41/75/50/538417550.db2.gz ONYLUCFJDVKLLX-AVGNSLFASA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000379584660 538417824 /nfs/dbraw/zinc/41/78/24/538417824.db2.gz ONYLUCFJDVKLLX-FRRDWIJNSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000379584661 538418999 /nfs/dbraw/zinc/41/89/99/538418999.db2.gz ONYLUCFJDVKLLX-RWMBFGLXSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@@H]1CC ZINC000379591727 538420262 /nfs/dbraw/zinc/42/02/62/538420262.db2.gz XTIKFGUZDFLLCU-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1CC ZINC000379591728 538419379 /nfs/dbraw/zinc/41/93/79/538419379.db2.gz XTIKFGUZDFLLCU-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@H]1CC ZINC000379591729 538420033 /nfs/dbraw/zinc/42/00/33/538420033.db2.gz XTIKFGUZDFLLCU-XQQFMLRXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]1CC ZINC000379591730 538419687 /nfs/dbraw/zinc/41/96/87/538419687.db2.gz XTIKFGUZDFLLCU-YNEHKIRRSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CCCCC ZINC000379594179 697903193 /nfs/dbraw/zinc/90/31/93/697903193.db2.gz CLIFXRPLXNYJQE-CHWSQXEVSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CCCCC ZINC000379594180 697903110 /nfs/dbraw/zinc/90/31/10/697903110.db2.gz CLIFXRPLXNYJQE-OLZOCXBDSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CCCCC ZINC000379594184 697903214 /nfs/dbraw/zinc/90/32/14/697903214.db2.gz CLIFXRPLXNYJQE-QWHCGFSZSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CCCCC ZINC000379594186 697903024 /nfs/dbraw/zinc/90/30/24/697903024.db2.gz CLIFXRPLXNYJQE-STQMWFEESA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@H]1C ZINC000379606820 538422407 /nfs/dbraw/zinc/42/24/07/538422407.db2.gz QUYPMCNNPPBBOP-AGIUHOORSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@@H]1C ZINC000379606821 538422024 /nfs/dbraw/zinc/42/20/24/538422024.db2.gz QUYPMCNNPPBBOP-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H]1C ZINC000379606822 538421447 /nfs/dbraw/zinc/42/14/47/538421447.db2.gz QUYPMCNNPPBBOP-FRRDWIJNSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H]1C ZINC000379606823 538422143 /nfs/dbraw/zinc/42/21/43/538422143.db2.gz QUYPMCNNPPBBOP-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC000379646650 538424939 /nfs/dbraw/zinc/42/49/39/538424939.db2.gz YSDVRHLEWNMDSE-GFCCVEGCSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[C@H](C)[NH2+]CCC(C)(C)C ZINC000379646654 538425072 /nfs/dbraw/zinc/42/50/72/538425072.db2.gz YSDVRHLEWNMDSE-LBPRGKRZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000379649538 538426742 /nfs/dbraw/zinc/42/67/42/538426742.db2.gz CTGOYDUPNBAPKF-AGIUHOORSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000379649539 538426314 /nfs/dbraw/zinc/42/63/14/538426314.db2.gz CTGOYDUPNBAPKF-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000379649540 538426267 /nfs/dbraw/zinc/42/62/67/538426267.db2.gz CTGOYDUPNBAPKF-FRRDWIJNSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000379649541 538426099 /nfs/dbraw/zinc/42/60/99/538426099.db2.gz CTGOYDUPNBAPKF-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)CC ZINC000379666651 582592652 /nfs/dbraw/zinc/59/26/52/582592652.db2.gz XRVQMCBCIDGZGJ-GFCCVEGCSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)CC ZINC000379666652 582592738 /nfs/dbraw/zinc/59/27/38/582592738.db2.gz XRVQMCBCIDGZGJ-LBPRGKRZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000379667903 538427287 /nfs/dbraw/zinc/42/72/87/538427287.db2.gz ZDYDMGFAGBDCRI-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000379667904 538427327 /nfs/dbraw/zinc/42/73/27/538427327.db2.gz ZDYDMGFAGBDCRI-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000379667905 538427298 /nfs/dbraw/zinc/42/72/98/538427298.db2.gz ZDYDMGFAGBDCRI-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000379667906 538427333 /nfs/dbraw/zinc/42/73/33/538427333.db2.gz ZDYDMGFAGBDCRI-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC(C)(C)C[NH2+]C[C@H](C)CCC ZINC000379880264 409867364 /nfs/dbraw/zinc/86/73/64/409867364.db2.gz AXSDEUHPOFWRSB-GFCCVEGCSA-N 1 0 197.366 3.615 20 30 AHEDRO C=CCC(C)(C)C[NH2+]C[C@@H](C)CCC ZINC000379880265 409866773 /nfs/dbraw/zinc/86/67/73/409866773.db2.gz AXSDEUHPOFWRSB-LBPRGKRZSA-N 1 0 197.366 3.615 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)CC=C ZINC000379888266 409866087 /nfs/dbraw/zinc/86/60/87/409866087.db2.gz FCOBWEQPBMSIKD-GFCCVEGCSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)CC=C ZINC000379888270 409867150 /nfs/dbraw/zinc/86/71/50/409867150.db2.gz FCOBWEQPBMSIKD-LBPRGKRZSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@H](CC)CCC ZINC000380114205 409872469 /nfs/dbraw/zinc/87/24/69/409872469.db2.gz LIRYUCDRUURKPN-GFCCVEGCSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@@H](CC)CCC ZINC000380114211 409871454 /nfs/dbraw/zinc/87/14/54/409871454.db2.gz LIRYUCDRUURKPN-LBPRGKRZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC(C)C ZINC000381906492 409885273 /nfs/dbraw/zinc/88/52/73/409885273.db2.gz WWLGUJAWPCCFNH-GFCCVEGCSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC(C)C ZINC000381906496 409885300 /nfs/dbraw/zinc/88/53/00/409885300.db2.gz WWLGUJAWPCCFNH-LBPRGKRZSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@H](C)C(C)(C)C ZINC000382097618 409891941 /nfs/dbraw/zinc/89/19/41/409891941.db2.gz NHXMEQNWYKLJQD-LLVKDONJSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC(C)(C)C[NH2+][C@@H](C)C(C)(C)C ZINC000382097619 409890438 /nfs/dbraw/zinc/89/04/38/409890438.db2.gz NHXMEQNWYKLJQD-NSHDSACASA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+]C1(C(C)C)CC1 ZINC000382107629 409890524 /nfs/dbraw/zinc/89/05/24/409890524.db2.gz JBDXLHWAGCBROA-GFCCVEGCSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CC)[NH2+]C1(C(C)C)CC1 ZINC000382107630 409891512 /nfs/dbraw/zinc/89/15/12/409891512.db2.gz JBDXLHWAGCBROA-LBPRGKRZSA-N 1 0 195.350 3.509 20 30 AHEDRO C=C(C)CC[NH2+]C(CCC)CCC ZINC000386832648 409940158 /nfs/dbraw/zinc/94/01/58/409940158.db2.gz HZMHGISHDQVOQW-UHFFFAOYSA-N 1 0 183.339 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H](CC)CCCC ZINC000386896739 409940599 /nfs/dbraw/zinc/94/05/99/409940599.db2.gz OFZQABQWCNCOQJ-GFCCVEGCSA-N 1 0 183.339 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H](CC)CCCC ZINC000386896740 409940845 /nfs/dbraw/zinc/94/08/45/409940845.db2.gz OFZQABQWCNCOQJ-LBPRGKRZSA-N 1 0 183.339 3.511 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](CC)C1CCCC1 ZINC000387482426 409944606 /nfs/dbraw/zinc/94/46/06/409944606.db2.gz WJWFJCRGXPMYFO-AAEUAGOBSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@H](CC)C1CCCC1 ZINC000387482428 409944075 /nfs/dbraw/zinc/94/40/75/409944075.db2.gz WJWFJCRGXPMYFO-DGCLKSJQSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](CC)C1CCCC1 ZINC000387482429 409944446 /nfs/dbraw/zinc/94/44/46/409944446.db2.gz WJWFJCRGXPMYFO-WCQYABFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)C1CCCC1 ZINC000387482430 409943362 /nfs/dbraw/zinc/94/33/62/409943362.db2.gz WJWFJCRGXPMYFO-YPMHNXCESA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@@H](CC)CCC ZINC000388289714 538430742 /nfs/dbraw/zinc/43/07/42/538430742.db2.gz USVPANUKKJUTQX-NEPJUHHUSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H](CC)CCC ZINC000388289715 538430764 /nfs/dbraw/zinc/43/07/64/538430764.db2.gz USVPANUKKJUTQX-NWDGAFQWSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)CCC ZINC000388289716 538430907 /nfs/dbraw/zinc/43/09/07/538430907.db2.gz USVPANUKKJUTQX-RYUDHWBXSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@H](CC)CCC ZINC000388289717 538431196 /nfs/dbraw/zinc/43/11/96/538431196.db2.gz USVPANUKKJUTQX-VXGBXAGGSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)CC ZINC000388735892 538436938 /nfs/dbraw/zinc/43/69/38/538436938.db2.gz WNUVPDMHTMAICF-NEPJUHHUSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)CC ZINC000388735893 538436675 /nfs/dbraw/zinc/43/66/75/538436675.db2.gz WNUVPDMHTMAICF-NWDGAFQWSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)CC ZINC000388735894 538436568 /nfs/dbraw/zinc/43/65/68/538436568.db2.gz WNUVPDMHTMAICF-RYUDHWBXSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)CC ZINC000388735896 538436982 /nfs/dbraw/zinc/43/69/82/538436982.db2.gz WNUVPDMHTMAICF-VXGBXAGGSA-N 1 0 183.339 3.509 20 30 AHEDRO C=CCCCC[NH2+][C@H](CC)CCC=C ZINC000388736384 538436880 /nfs/dbraw/zinc/43/68/80/538436880.db2.gz HBCWBOIOCHECRR-CYBMUJFWSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCCCC[NH2+][C@@H](CC)CCC=C ZINC000388736385 538436933 /nfs/dbraw/zinc/43/69/33/538436933.db2.gz HBCWBOIOCHECRR-ZDUSSCGKSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+]CCCC1CC1 ZINC000388813208 538437918 /nfs/dbraw/zinc/43/79/18/538437918.db2.gz FJXQDMXKUBTTDI-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@H](CC)[NH2+]CCCC1CC1 ZINC000388813210 538437642 /nfs/dbraw/zinc/43/76/42/538437642.db2.gz FJXQDMXKUBTTDI-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[NH2+][C@H](CCC)C1CCCCC1 ZINC000388831667 538438364 /nfs/dbraw/zinc/43/83/64/538438364.db2.gz PPGCHABYZCIYCC-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[NH2+][C@@H](CCC)C1CCCCC1 ZINC000388831669 538438453 /nfs/dbraw/zinc/43/84/53/538438453.db2.gz PPGCHABYZCIYCC-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)CC ZINC000388838805 697999426 /nfs/dbraw/zinc/99/94/26/697999426.db2.gz UFWFZCWEANFJOP-CHWSQXEVSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)CC ZINC000388838806 697999423 /nfs/dbraw/zinc/99/94/23/697999423.db2.gz UFWFZCWEANFJOP-OLZOCXBDSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)CC ZINC000388838807 697999294 /nfs/dbraw/zinc/99/92/94/697999294.db2.gz UFWFZCWEANFJOP-QWHCGFSZSA-N 1 0 197.366 3.900 20 30 AHEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)CC ZINC000388838809 697999201 /nfs/dbraw/zinc/99/92/01/697999201.db2.gz UFWFZCWEANFJOP-STQMWFEESA-N 1 0 197.366 3.900 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@H](C)CCCC ZINC000388878926 538438235 /nfs/dbraw/zinc/43/82/35/538438235.db2.gz GXECELVPQBIHSQ-AGIUHOORSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000388878928 538438474 /nfs/dbraw/zinc/43/84/74/538438474.db2.gz GXECELVPQBIHSQ-AVGNSLFASA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@H](C)CCCC ZINC000388878939 538438493 /nfs/dbraw/zinc/43/84/93/538438493.db2.gz GXECELVPQBIHSQ-FRRDWIJNSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@@H](C)CCCC ZINC000388878948 538438274 /nfs/dbraw/zinc/43/82/74/538438274.db2.gz GXECELVPQBIHSQ-RWMBFGLXSA-N 1 0 197.366 3.755 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCC[C@H]1C ZINC000388887962 538438085 /nfs/dbraw/zinc/43/80/85/538438085.db2.gz MCIGZJXBUVRQRK-AGIUHOORSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1C ZINC000388887963 538438189 /nfs/dbraw/zinc/43/81/89/538438189.db2.gz MCIGZJXBUVRQRK-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1C ZINC000388887964 538438171 /nfs/dbraw/zinc/43/81/71/538438171.db2.gz MCIGZJXBUVRQRK-FRRDWIJNSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000388887965 538438488 /nfs/dbraw/zinc/43/84/88/538438488.db2.gz MCIGZJXBUVRQRK-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC=C(C)C ZINC000389236923 538439853 /nfs/dbraw/zinc/43/98/53/538439853.db2.gz WLXSESMPFRJCLM-CHWSQXEVSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC=C(C)C ZINC000389236924 538439878 /nfs/dbraw/zinc/43/98/78/538439878.db2.gz WLXSESMPFRJCLM-OLZOCXBDSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC=C(C)C ZINC000389236926 538440087 /nfs/dbraw/zinc/44/00/87/538440087.db2.gz WLXSESMPFRJCLM-QWHCGFSZSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC=C(C)C ZINC000389236927 538439583 /nfs/dbraw/zinc/43/95/83/538439583.db2.gz WLXSESMPFRJCLM-STQMWFEESA-N 1 0 195.350 3.533 20 30 AHEDRO C=CCCC[NH2+][C@H](C)CCC=C(C)C ZINC000389265674 538439862 /nfs/dbraw/zinc/43/98/62/538439862.db2.gz IGODQCFRDZVKLR-CYBMUJFWSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCCC[NH2+][C@@H](C)CCC=C(C)C ZINC000389265675 538439813 /nfs/dbraw/zinc/43/98/13/538439813.db2.gz IGODQCFRDZVKLR-ZDUSSCGKSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CC[C@@H](CC)[NH2+]C[C@H](C)CC(C)C ZINC000389284171 538440171 /nfs/dbraw/zinc/44/01/71/538440171.db2.gz UGBZAJBKFGXOIX-CHWSQXEVSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CC[C@H](CC)[NH2+]C[C@H](C)CC(C)C ZINC000389284172 538440350 /nfs/dbraw/zinc/44/03/50/538440350.db2.gz UGBZAJBKFGXOIX-OLZOCXBDSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](C)CC(C)C ZINC000389284173 538440599 /nfs/dbraw/zinc/44/05/99/538440599.db2.gz UGBZAJBKFGXOIX-QWHCGFSZSA-N 1 0 197.366 3.613 20 30 AHEDRO C=CC[C@H](CC)[NH2+]C[C@@H](C)CC(C)C ZINC000389284174 538440541 /nfs/dbraw/zinc/44/05/41/538440541.db2.gz UGBZAJBKFGXOIX-STQMWFEESA-N 1 0 197.366 3.613 20 30 AHEDRO C=CCC[NH2+][C@H](CCCC)C1CCC1 ZINC000389291863 538440528 /nfs/dbraw/zinc/44/05/28/538440528.db2.gz ZRILMAREXMGHSZ-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[NH2+][C@@H](CCCC)C1CCC1 ZINC000389291864 538440260 /nfs/dbraw/zinc/44/02/60/538440260.db2.gz ZRILMAREXMGHSZ-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000389320925 541342948 /nfs/dbraw/zinc/34/29/48/541342948.db2.gz RPZFRUGPQCRBQP-NEPJUHHUSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000389320926 541343339 /nfs/dbraw/zinc/34/33/39/541343339.db2.gz RPZFRUGPQCRBQP-NWDGAFQWSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000389320927 541343752 /nfs/dbraw/zinc/34/37/52/541343752.db2.gz RPZFRUGPQCRBQP-RYUDHWBXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000389320928 541342910 /nfs/dbraw/zinc/34/29/10/541342910.db2.gz RPZFRUGPQCRBQP-VXGBXAGGSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCCCC[NH2+]C1CCCC1 ZINC000389332226 698008918 /nfs/dbraw/zinc/00/89/18/698008918.db2.gz VMVAMCBXTGOSRY-UHFFFAOYSA-N 1 0 195.350 3.655 20 30 AHEDRO C=CCCCCCC[NH2+]C1CC(C)C1 ZINC000389337826 698009113 /nfs/dbraw/zinc/00/91/13/698009113.db2.gz XEIMBICIMJRFPX-UHFFFAOYSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[NH2+]CC1CCCCC1 ZINC000389340503 538441243 /nfs/dbraw/zinc/44/12/43/538441243.db2.gz XZZYLDVXFXAQGN-UHFFFAOYSA-N 1 0 195.350 3.513 20 30 AHEDRO C=C(C)C[NH2+]CC1(C)CCCCCC1 ZINC000389373179 538441089 /nfs/dbraw/zinc/44/10/89/538441089.db2.gz ZCKCIZGBXUCANA-UHFFFAOYSA-N 1 0 195.350 3.513 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+]CCC1(C)CC1 ZINC000393670056 698020500 /nfs/dbraw/zinc/02/05/00/698020500.db2.gz SOPLKHRFSXYBRN-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@H](CC)[NH2+]CCC1(C)CC1 ZINC000393670058 698020433 /nfs/dbraw/zinc/02/04/33/698020433.db2.gz SOPLKHRFSXYBRN-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[C@@H](C)[NH2+]CCCC(C)C ZINC000393680549 582492641 /nfs/dbraw/zinc/49/26/41/582492641.db2.gz YWWLPBSBMOAWST-CYBMUJFWSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCCC[C@H](C)[NH2+]CCCC(C)C ZINC000393680551 582492542 /nfs/dbraw/zinc/49/25/42/582492542.db2.gz YWWLPBSBMOAWST-ZDUSSCGKSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000393683393 582492713 /nfs/dbraw/zinc/49/27/13/582492713.db2.gz KADQIFYHFGTKCD-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[NH2+][C@H]1CCC[C@H]1CCCC ZINC000393683395 582492694 /nfs/dbraw/zinc/49/26/94/582492694.db2.gz KADQIFYHFGTKCD-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000393683397 582492140 /nfs/dbraw/zinc/49/21/40/582492140.db2.gz KADQIFYHFGTKCD-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000393683398 582492197 /nfs/dbraw/zinc/49/21/97/582492197.db2.gz KADQIFYHFGTKCD-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC1CCC1 ZINC000394213065 629975448 /nfs/dbraw/zinc/97/54/48/629975448.db2.gz CIKLIZNJHZBWCP-AAEUAGOBSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC1CCC1 ZINC000394213076 629975418 /nfs/dbraw/zinc/97/54/18/629975418.db2.gz CIKLIZNJHZBWCP-DGCLKSJQSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC1CCC1 ZINC000394213079 629973135 /nfs/dbraw/zinc/97/31/35/629973135.db2.gz CIKLIZNJHZBWCP-WCQYABFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC1CCC1 ZINC000394213082 629974778 /nfs/dbraw/zinc/97/47/78/629974778.db2.gz CIKLIZNJHZBWCP-YPMHNXCESA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC(C)(C)C[NH2+]C1CCCCCC1 ZINC000395364745 410006359 /nfs/dbraw/zinc/00/63/59/410006359.db2.gz CQQRLHCSHSDEQM-UHFFFAOYSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H](CC)C1CCCC1 ZINC000395708947 410007240 /nfs/dbraw/zinc/00/72/40/410007240.db2.gz KPQIPPSUZDWAGE-CYBMUJFWSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H](CC)C1CCCC1 ZINC000395708950 410008851 /nfs/dbraw/zinc/00/88/51/410008851.db2.gz KPQIPPSUZDWAGE-ZDUSSCGKSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CC(C)(C)CC[NH2+]C1CCCCC1 ZINC000527732965 325649534 /nfs/dbraw/zinc/64/95/34/325649534.db2.gz AMGAAEONIZMGDY-UHFFFAOYSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)C[N@@H+](C(C)C)C1CCCCC1 ZINC000590941441 582504870 /nfs/dbraw/zinc/50/48/70/582504870.db2.gz VJVVSTRAXWMVCG-UHFFFAOYSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCC[NH+](CCCC)CCCC ZINC000605149761 346968209 /nfs/dbraw/zinc/96/82/09/346968209.db2.gz KSQMCGSBBWXILW-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO C=CCCC[N@@H+](C)C1CCCCCC1 ZINC000605149765 346968268 /nfs/dbraw/zinc/96/82/68/346968268.db2.gz LCXKALRUNQRHGS-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCC[N@@H+](CC)C1CCCCC1 ZINC000605149767 346968502 /nfs/dbraw/zinc/96/85/02/346968502.db2.gz LEQYEEMALKKSCE-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCC[N@@H+](CCCCC)C(C)C ZINC000605149834 346968350 /nfs/dbraw/zinc/96/83/50/346968350.db2.gz ATWFBBRFINRMNI-UHFFFAOYSA-N 1 0 197.366 3.853 20 30 AHEDRO C=CCCC[N@@H+](C(CC)CC)C1CC1 ZINC000605150086 346968372 /nfs/dbraw/zinc/96/83/72/346968372.db2.gz OYNPISLSOCTIQZ-UHFFFAOYSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCC[N@@H+](C(C)C)C1CCCC1 ZINC000605150343 346968867 /nfs/dbraw/zinc/96/88/67/346968867.db2.gz KABQPDTVXCBTKO-UHFFFAOYSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCC[N@@H+](CC)CC(CC)CC ZINC000605150966 346969298 /nfs/dbraw/zinc/96/92/98/346969298.db2.gz MOFNHBZBUZXBDV-UHFFFAOYSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CCC[N@@H+](C(C)C)C1CCCCC1 ZINC000606897335 346985675 /nfs/dbraw/zinc/98/56/75/346985675.db2.gz RKDPXGBKAOQXKZ-UHFFFAOYSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCC[N@H+]1CCCCC[C@H]1CC ZINC000606901050 346986572 /nfs/dbraw/zinc/98/65/72/346986572.db2.gz XIHYOWFDTSUNJA-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCC[N@H+]1CCCCC[C@@H]1CC ZINC000606901051 346986569 /nfs/dbraw/zinc/98/65/69/346986569.db2.gz XIHYOWFDTSUNJA-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCC[N@@H+](C)CCCC=C ZINC000606902258 346986140 /nfs/dbraw/zinc/98/61/40/346986140.db2.gz LGVICPKWIZMYAX-UHFFFAOYSA-N 1 0 195.350 3.631 20 30 AHEDRO C=CCCCCC[N@@H+](C)CCCCC ZINC000606902286 346986493 /nfs/dbraw/zinc/98/64/93/346986493.db2.gz VJZNQFIWCVWQQY-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO C=CCCCCC[N@@H+](C)CCC(C)C ZINC000606902613 346986410 /nfs/dbraw/zinc/98/64/10/346986410.db2.gz FECNBGSAUQEDQK-UHFFFAOYSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CCCCCC[N@@H+](C)CC=C(C)C ZINC000606902690 346986484 /nfs/dbraw/zinc/98/64/84/346986484.db2.gz QOPHPEROFCAHDP-UHFFFAOYSA-N 1 0 195.350 3.631 20 30 AHEDRO C=C(C)C[N@H+](CC)CCC(C)(C)CC ZINC000608491952 347002307 /nfs/dbraw/zinc/00/23/07/347002307.db2.gz XMTRKXXDUIMZMS-UHFFFAOYSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CCCC[N@@H+](C)CCC(C)(C)CC ZINC000608501717 347008959 /nfs/dbraw/zinc/00/89/59/347008959.db2.gz RGLUKOABGCBDLY-UHFFFAOYSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CC[N@@H+](CCCC)C1CCCCC1 ZINC000621301544 347225653 /nfs/dbraw/zinc/22/56/53/347225653.db2.gz QMERGQIZMPJZQD-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]CCC(C)(C)C=C ZINC000624036985 347269454 /nfs/dbraw/zinc/26/94/54/347269454.db2.gz HFKRUNILJZFIBL-GFCCVEGCSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CCC[C@H](C)[NH2+]CCC(C)(C)C=C ZINC000624036986 347269106 /nfs/dbraw/zinc/26/91/06/347269106.db2.gz HFKRUNILJZFIBL-LBPRGKRZSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)CC=C ZINC000648454010 375714687 /nfs/dbraw/zinc/71/46/87/375714687.db2.gz GTIPORQHOSBYDM-CHWSQXEVSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)CC=C ZINC000648454011 375714248 /nfs/dbraw/zinc/71/42/48/375714248.db2.gz GTIPORQHOSBYDM-OLZOCXBDSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)CC=C ZINC000648454012 375714587 /nfs/dbraw/zinc/71/45/87/375714587.db2.gz GTIPORQHOSBYDM-QWHCGFSZSA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)CC=C ZINC000648454013 375714227 /nfs/dbraw/zinc/71/42/27/375714227.db2.gz GTIPORQHOSBYDM-STQMWFEESA-N 1 0 195.350 3.676 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+]CCC1CC1 ZINC000648465932 375714240 /nfs/dbraw/zinc/71/42/40/375714240.db2.gz QLCMEMXJXVSMAT-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+]CCC1CC1 ZINC000648465933 375714583 /nfs/dbraw/zinc/71/45/83/375714583.db2.gz QLCMEMXJXVSMAT-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+]CC1(C)CC1 ZINC000648466681 375714550 /nfs/dbraw/zinc/71/45/50/375714550.db2.gz DNMKBZDYXWSOIP-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+]CC1(C)CC1 ZINC000648466682 375714981 /nfs/dbraw/zinc/71/49/81/375714981.db2.gz DNMKBZDYXWSOIP-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+]C1(C)CCC1 ZINC000648502550 375715686 /nfs/dbraw/zinc/71/56/86/375715686.db2.gz KRCPYBHICYFXSK-GFCCVEGCSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+]C1(C)CCC1 ZINC000648502551 375716392 /nfs/dbraw/zinc/71/63/92/375716392.db2.gz KRCPYBHICYFXSK-LBPRGKRZSA-N 1 0 195.350 3.654 20 30 AHEDRO C=C(C)CC[NH2+][C@H](C)CCC=C(C)C ZINC000648727240 375738830 /nfs/dbraw/zinc/73/88/30/375738830.db2.gz QNWMJNFUEBQJBH-CYBMUJFWSA-N 1 0 195.350 3.677 20 30 AHEDRO C=C(C)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000648727241 375739772 /nfs/dbraw/zinc/73/97/72/375739772.db2.gz QNWMJNFUEBQJBH-ZDUSSCGKSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+]CCC(=C)C ZINC000648727764 375739427 /nfs/dbraw/zinc/73/94/27/375739427.db2.gz INDPDHZDMVMCNG-CYBMUJFWSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+]CCC(=C)C ZINC000648727765 375739504 /nfs/dbraw/zinc/73/95/04/375739504.db2.gz INDPDHZDMVMCNG-ZDUSSCGKSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCC[C@@H](CCC)[NH2+]CCC(=C)C ZINC000648727797 375739703 /nfs/dbraw/zinc/73/97/03/375739703.db2.gz SNWXXYLVJUKJID-CYBMUJFWSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+]CCC(=C)C ZINC000648727798 375739620 /nfs/dbraw/zinc/73/96/20/375739620.db2.gz SNWXXYLVJUKJID-ZDUSSCGKSA-N 1 0 195.350 3.677 20 30 AHEDRO C=C(C)CC[NH2+][C@H](C)CC1CCCC1 ZINC000648727815 375739235 /nfs/dbraw/zinc/73/92/35/375739235.db2.gz XIANEUWBDARSFL-GFCCVEGCSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H](C)CC1CCCC1 ZINC000648727816 375739589 /nfs/dbraw/zinc/73/95/89/375739589.db2.gz XIANEUWBDARSFL-LBPRGKRZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)C=C ZINC000648733043 375740723 /nfs/dbraw/zinc/74/07/23/375740723.db2.gz SRVPUQSAYXFKLI-GFCCVEGCSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)C=C ZINC000648733044 375740581 /nfs/dbraw/zinc/74/05/81/375740581.db2.gz SRVPUQSAYXFKLI-LBPRGKRZSA-N 1 0 195.350 3.533 20 30 AHEDRO C=CCCCC[N@@H+](C(C)C)C1CCC1 ZINC000649383395 410193299 /nfs/dbraw/zinc/19/32/99/410193299.db2.gz QKTKAKUZGCYHCU-UHFFFAOYSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCC[C@@H](CCC)[NH2+]C1(CC)CC1 ZINC000651396498 409327337 /nfs/dbraw/zinc/32/73/37/409327337.db2.gz AEGQAPBGUBFZDE-GFCCVEGCSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CCC[C@H](CCC)[NH2+]C1(CC)CC1 ZINC000651396499 409327016 /nfs/dbraw/zinc/32/70/16/409327016.db2.gz AEGQAPBGUBFZDE-LBPRGKRZSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+]C1(CC)CC1 ZINC000651397357 409328965 /nfs/dbraw/zinc/32/89/65/409328965.db2.gz UMDWPUFGRNJBPF-GFCCVEGCSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+]C1(CC)CC1 ZINC000651397358 409328428 /nfs/dbraw/zinc/32/84/28/409328428.db2.gz UMDWPUFGRNJBPF-LBPRGKRZSA-N 1 0 195.350 3.654 20 30 AHEDRO C=CC[C@H]1CC[C@H]([NH2+]C(CC)CC)C1 ZINC000651666730 409335293 /nfs/dbraw/zinc/33/52/93/409335293.db2.gz MHZRBVWAYDKIGW-AAEUAGOBSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C(CC)CC)C1 ZINC000651666731 409334477 /nfs/dbraw/zinc/33/44/77/409334477.db2.gz MHZRBVWAYDKIGW-DGCLKSJQSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C(CC)CC)C1 ZINC000651666732 409334900 /nfs/dbraw/zinc/33/49/00/409334900.db2.gz MHZRBVWAYDKIGW-WCQYABFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C(CC)CC)C1 ZINC000651666733 409334380 /nfs/dbraw/zinc/33/43/80/409334380.db2.gz MHZRBVWAYDKIGW-YPMHNXCESA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CCC)C1 ZINC000651668273 409335064 /nfs/dbraw/zinc/33/50/64/409335064.db2.gz FEFJITIWXYENLA-JHJVBQTASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CCC)C1 ZINC000651668274 409334948 /nfs/dbraw/zinc/33/49/48/409334948.db2.gz FEFJITIWXYENLA-UPJWGTAASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CCC)C1 ZINC000651668275 409335703 /nfs/dbraw/zinc/33/57/03/409335703.db2.gz FEFJITIWXYENLA-XQQFMLRXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCC)C1 ZINC000651668276 409334737 /nfs/dbraw/zinc/33/47/37/409334737.db2.gz FEFJITIWXYENLA-YNEHKIRRSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CC ZINC000651713077 409337734 /nfs/dbraw/zinc/33/77/34/409337734.db2.gz BDPMIPXVBGVGGW-AVGNSLFASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000651713078 409336528 /nfs/dbraw/zinc/33/65/28/409336528.db2.gz BDPMIPXVBGVGGW-RWMBFGLXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000651713079 409337174 /nfs/dbraw/zinc/33/71/74/409337174.db2.gz BDPMIPXVBGVGGW-XQQFMLRXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000651713080 409337009 /nfs/dbraw/zinc/33/70/09/409337009.db2.gz BDPMIPXVBGVGGW-YNEHKIRRSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000652042493 409348616 /nfs/dbraw/zinc/34/86/16/409348616.db2.gz QVNUCAFWYOQVQX-GRYCIOLGSA-N 1 0 197.366 3.611 20 30 AHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000652042494 409346800 /nfs/dbraw/zinc/34/68/00/409346800.db2.gz QVNUCAFWYOQVQX-IJLUTSLNSA-N 1 0 197.366 3.611 20 30 AHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC ZINC000657818416 409500002 /nfs/dbraw/zinc/50/00/02/409500002.db2.gz STGLHGVWVSDMNQ-JHJVBQTASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC ZINC000657818433 409499900 /nfs/dbraw/zinc/49/99/00/409499900.db2.gz STGLHGVWVSDMNQ-UPJWGTAASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC ZINC000657818434 409498903 /nfs/dbraw/zinc/49/89/03/409498903.db2.gz STGLHGVWVSDMNQ-XQQFMLRXSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC ZINC000657818436 409499894 /nfs/dbraw/zinc/49/98/94/409499894.db2.gz STGLHGVWVSDMNQ-YNEHKIRRSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+][C@H](CC)C1CC1 ZINC000658232984 409512782 /nfs/dbraw/zinc/51/27/82/409512782.db2.gz JKDJHXSEFKBWFZ-CHWSQXEVSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CC)C1CC1 ZINC000658232986 409512539 /nfs/dbraw/zinc/51/25/39/409512539.db2.gz JKDJHXSEFKBWFZ-OLZOCXBDSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)C1CC1 ZINC000658232988 409512497 /nfs/dbraw/zinc/51/24/97/409512497.db2.gz JKDJHXSEFKBWFZ-QWHCGFSZSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)C1CC1 ZINC000658232990 409512552 /nfs/dbraw/zinc/51/25/52/409512552.db2.gz JKDJHXSEFKBWFZ-STQMWFEESA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]C1(CC(C)C)CC1 ZINC000658321454 409515118 /nfs/dbraw/zinc/51/51/18/409515118.db2.gz RWIMLVJGTPKSLO-GFCCVEGCSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](C)[NH2+]C1(CC(C)C)CC1 ZINC000658321455 409515504 /nfs/dbraw/zinc/51/55/04/409515504.db2.gz RWIMLVJGTPKSLO-LBPRGKRZSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@@H](CC)[NH2+]C1CC(C)(C)C1 ZINC000658346490 409517135 /nfs/dbraw/zinc/51/71/35/409517135.db2.gz IHAIQRIHODVLKO-LLVKDONJSA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCC[C@H](CC)[NH2+]C1CC(C)(C)C1 ZINC000658346492 409517373 /nfs/dbraw/zinc/51/73/73/409517373.db2.gz IHAIQRIHODVLKO-NSHDSACASA-N 1 0 195.350 3.509 20 30 AHEDRO C=CCCCC[NH2+]C1(CC(C)C)CC1 ZINC000662066071 409685967 /nfs/dbraw/zinc/68/59/67/409685967.db2.gz CRNUBOBGWJGZNJ-UHFFFAOYSA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCCC[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000670264728 486738291 /nfs/dbraw/zinc/73/82/91/486738291.db2.gz QFJLVQMNSQPFNS-GFCCVEGCSA-N 1 0 197.366 3.567 20 30 AHEDRO C=CCCC[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000670264729 486738418 /nfs/dbraw/zinc/73/84/18/486738418.db2.gz QFJLVQMNSQPFNS-LBPRGKRZSA-N 1 0 197.366 3.567 20 30 AHEDRO C=CCC[N@H+](CC(C)C)C(CC)CC ZINC000674007608 486784861 /nfs/dbraw/zinc/78/48/61/486784861.db2.gz NDXIKUOPIVMJBI-UHFFFAOYSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCC[N@@H+](CC(C)C)CC(C)(C)C ZINC000675552987 486844001 /nfs/dbraw/zinc/84/40/01/486844001.db2.gz ZMVJYDLMTQIQSN-UHFFFAOYSA-N 1 0 197.366 3.567 20 30 AHEDRO C=C(C)C[N@H+]1CCC[C@H]1CCCCC ZINC000676041868 486854908 /nfs/dbraw/zinc/85/49/08/486854908.db2.gz PKTDLXFGAPTNSO-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(C)C[N@H+]1CCC[C@@H]1CCCCC ZINC000676041885 486854461 /nfs/dbraw/zinc/85/44/61/486854461.db2.gz PKTDLXFGAPTNSO-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCC[N@H+]1CCC[C@H]1CCCCC ZINC000676042206 486854386 /nfs/dbraw/zinc/85/43/86/486854386.db2.gz UXEDFAJDJHPDHB-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCC[N@H+]1CCC[C@@H]1CCCCC ZINC000676042208 486855309 /nfs/dbraw/zinc/85/53/09/486855309.db2.gz UXEDFAJDJHPDHB-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCC[N@@H+](C)C1CCCC1 ZINC000678270489 486929972 /nfs/dbraw/zinc/92/99/72/486929972.db2.gz CIYDJNXKSZNLQH-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(CC)C[N@H+](C)C1CCCCCC1 ZINC000678623273 486940743 /nfs/dbraw/zinc/94/07/43/486940743.db2.gz MDMNNBCTPYNQIN-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(CC)C[N@@H+](CC)C1CCCCC1 ZINC000678623739 486940300 /nfs/dbraw/zinc/94/03/00/486940300.db2.gz VCJFZVPBGKXFCM-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(CC)C[N@@H+](C(CC)CC)C1CC1 ZINC000678624017 486941774 /nfs/dbraw/zinc/94/17/74/486941774.db2.gz QPXAGXIWOCHTSY-UHFFFAOYSA-N 1 0 195.350 3.606 20 30 AHEDRO C=C(CC)C[N@H+](C(C)C)C1CCCC1 ZINC000678624892 486941561 /nfs/dbraw/zinc/94/15/61/486941561.db2.gz JCROISREWAHVNU-UHFFFAOYSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCCCC[N@@H+](C)CC(=C)CC ZINC000678625039 486941832 /nfs/dbraw/zinc/94/18/32/486941832.db2.gz XELQDDHYBOFACX-UHFFFAOYSA-N 1 0 195.350 3.631 20 30 AHEDRO C=CCCC[C@@H](C)[NH+]1CCCCCC1 ZINC000678714449 486942892 /nfs/dbraw/zinc/94/28/92/486942892.db2.gz BIUPGDCZIQZFQP-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCC[C@H](C)[NH+]1CCCCCC1 ZINC000678714450 486943665 /nfs/dbraw/zinc/94/36/65/486943665.db2.gz BIUPGDCZIQZFQP-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCC[C@@H](C)[N@H+](CC)CC(=C)C ZINC000678714664 486943447 /nfs/dbraw/zinc/94/34/47/486943447.db2.gz IACBAFMTWKOLBY-CYBMUJFWSA-N 1 0 195.350 3.629 20 30 AHEDRO C=CCCC[C@H](C)[N@H+](CC)CC(=C)C ZINC000678714665 486943552 /nfs/dbraw/zinc/94/35/52/486943552.db2.gz IACBAFMTWKOLBY-ZDUSSCGKSA-N 1 0 195.350 3.629 20 30 AHEDRO C=CCCC[C@@H](C)[N@@H+](C)CCC(C)C ZINC000678715485 486944381 /nfs/dbraw/zinc/94/43/81/486944381.db2.gz USBNXAGHYAIIIB-CYBMUJFWSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[C@H](C)[N@@H+](C)CCC(C)C ZINC000678715486 486944685 /nfs/dbraw/zinc/94/46/85/486944685.db2.gz USBNXAGHYAIIIB-ZDUSSCGKSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[C@@H](C)[N@H+](C)CC(C)(C)C ZINC000678715605 486944706 /nfs/dbraw/zinc/94/47/06/486944706.db2.gz ZIAMQVPQHFYMRS-GFCCVEGCSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[C@H](C)[N@H+](C)CC(C)(C)C ZINC000678715606 486944254 /nfs/dbraw/zinc/94/42/54/486944254.db2.gz ZIAMQVPQHFYMRS-LBPRGKRZSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[C@@H](C)[N@H+](C)CCCC=C ZINC000678716118 486944349 /nfs/dbraw/zinc/94/43/49/486944349.db2.gz POEGEVWQORFOMQ-CYBMUJFWSA-N 1 0 195.350 3.629 20 30 AHEDRO C=CCCC[C@H](C)[N@H+](C)CCCC=C ZINC000678716319 486944878 /nfs/dbraw/zinc/94/48/78/486944878.db2.gz POEGEVWQORFOMQ-ZDUSSCGKSA-N 1 0 195.350 3.629 20 30 AHEDRO C=CCCC[C@@H](C)[N@@H+](C)C[C@H](C)CC ZINC000678717089 486945588 /nfs/dbraw/zinc/94/55/88/486945588.db2.gz ZUHZDANEJKCYPX-CHWSQXEVSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[C@H](C)[N@@H+](C)C[C@H](C)CC ZINC000678717090 486945604 /nfs/dbraw/zinc/94/56/04/486945604.db2.gz ZUHZDANEJKCYPX-OLZOCXBDSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[C@@H](C)[N@@H+](C)C[C@@H](C)CC ZINC000678717091 486945555 /nfs/dbraw/zinc/94/55/55/486945555.db2.gz ZUHZDANEJKCYPX-QWHCGFSZSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[C@H](C)[N@@H+](C)C[C@@H](C)CC ZINC000678717092 486946071 /nfs/dbraw/zinc/94/60/71/486946071.db2.gz ZUHZDANEJKCYPX-STQMWFEESA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[N@H+]1CCCC[C@H]1CCC ZINC000680433901 486985141 /nfs/dbraw/zinc/98/51/41/486985141.db2.gz CDSDGLGYRKSADB-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCC[N@H+]1CCCC[C@@H]1CCC ZINC000680433902 486985392 /nfs/dbraw/zinc/98/53/92/486985392.db2.gz CDSDGLGYRKSADB-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(CC)C[N@H+]1CCCC[C@H]1CCC ZINC000680434455 486984803 /nfs/dbraw/zinc/98/48/03/486984803.db2.gz PXSDCLFNHRYIHQ-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(CC)C[N@H+]1CCCC[C@@H]1CCC ZINC000680434456 486985238 /nfs/dbraw/zinc/98/52/38/486985238.db2.gz PXSDCLFNHRYIHQ-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(C)CC[NH+](CC(C)C)CC(C)C ZINC000681398749 487021065 /nfs/dbraw/zinc/02/10/65/487021065.db2.gz QAVNJENJHLVYMC-UHFFFAOYSA-N 1 0 197.366 3.567 20 30 AHEDRO C=C(C)CC[N@@H+](CCCCC)C(C)C ZINC000681399175 487021127 /nfs/dbraw/zinc/02/11/27/487021127.db2.gz OWISTQYHOUZAGM-UHFFFAOYSA-N 1 0 197.366 3.853 20 30 AHEDRO C=C(C)CC[N@@H+](CC)C1CCCCC1 ZINC000681399196 487020497 /nfs/dbraw/zinc/02/04/97/487020497.db2.gz PGGNAGZNAWWXFC-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(C)CC[N@@H+](C)C1CCCCCC1 ZINC000681401449 487021166 /nfs/dbraw/zinc/02/11/66/487021166.db2.gz USJVCCXDIVPPTQ-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(C)CC[N@@H+](C(CC)CC)C1CC1 ZINC000681402190 487020313 /nfs/dbraw/zinc/02/03/13/487020313.db2.gz WQCDIDZOCDKZCG-UHFFFAOYSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCCCC[N@@H+](C)CCC(=C)C ZINC000681403875 487022304 /nfs/dbraw/zinc/02/23/04/487022304.db2.gz MCMLMWOQXJTZBF-UHFFFAOYSA-N 1 0 195.350 3.631 20 30 AHEDRO C=C(C)CC[N@H+]1CCCCC[C@H]1CC ZINC000681404112 487021892 /nfs/dbraw/zinc/02/18/92/487021892.db2.gz QKYBDMZLJFYGGW-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(C)CC[N@H+]1CCCCC[C@@H]1CC ZINC000681404114 487022249 /nfs/dbraw/zinc/02/22/49/487022249.db2.gz QKYBDMZLJFYGGW-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(C)CC[N@@H+](C(C)C)C1CCCC1 ZINC000681405937 487022042 /nfs/dbraw/zinc/02/20/42/487022042.db2.gz MKPOZFLJSRBONM-UHFFFAOYSA-N 1 0 195.350 3.606 20 30 AHEDRO C=C(C)CC[N@H+]1CCCC[C@H]1CCC ZINC000681412780 487022897 /nfs/dbraw/zinc/02/28/97/487022897.db2.gz VZYYGQWLJRJXMC-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=C(C)CC[N@H+]1CCCC[C@@H]1CCC ZINC000681412781 487023145 /nfs/dbraw/zinc/02/31/45/487023145.db2.gz VZYYGQWLJRJXMC-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(C)C ZINC000682075764 487044201 /nfs/dbraw/zinc/04/42/01/487044201.db2.gz ZKBCFJYPFNSAAQ-CYBMUJFWSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(C)C ZINC000682075775 487044122 /nfs/dbraw/zinc/04/41/22/487044122.db2.gz ZKBCFJYPFNSAAQ-ZDUSSCGKSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCCCC[N@H+]1CCCC[C@H]1C ZINC000683779215 487096516 /nfs/dbraw/zinc/09/65/16/487096516.db2.gz IACOCQBMKSPRRW-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCC[N@H+]1CCCC[C@@H]1C ZINC000683779216 487096841 /nfs/dbraw/zinc/09/68/41/487096841.db2.gz IACOCQBMKSPRRW-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCC[N@@H+](CC)CC(=C)C ZINC000683779284 487096507 /nfs/dbraw/zinc/09/65/07/487096507.db2.gz WSJRZGVTZLDRFL-UHFFFAOYSA-N 1 0 195.350 3.631 20 30 AHEDRO C=CCCCCC[N@@H+](C(C)C)C1CC1 ZINC000683779638 487096496 /nfs/dbraw/zinc/09/64/96/487096496.db2.gz JTSXUQGRTLYTBO-UHFFFAOYSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCCCC[N@@H+](CCC)C1CC1 ZINC000683780628 487096537 /nfs/dbraw/zinc/09/65/37/487096537.db2.gz MWKAQCOJLYACIL-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCC[N@H+]1CCC[C@H]1CC ZINC000683780696 487096995 /nfs/dbraw/zinc/09/69/95/487096995.db2.gz PQIYDSZDMXQGLC-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCC[N@H+]1CCC[C@@H]1CC ZINC000683780697 487096480 /nfs/dbraw/zinc/09/64/80/487096480.db2.gz PQIYDSZDMXQGLC-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCC[N@H+]1CCCC1(C)C ZINC000683780752 487096922 /nfs/dbraw/zinc/09/69/22/487096922.db2.gz RALRNMBWDYHZDY-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000683781667 487097819 /nfs/dbraw/zinc/09/78/19/487097819.db2.gz FANVDXCDIBHINW-BETUJISGSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCCCC[NH+]1[C@H](C)CC[C@H]1C ZINC000683781669 487098183 /nfs/dbraw/zinc/09/81/83/487098183.db2.gz FANVDXCDIBHINW-CHWSQXEVSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCCCC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000683781671 487097960 /nfs/dbraw/zinc/09/79/60/487097960.db2.gz FANVDXCDIBHINW-STQMWFEESA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCCCC[N@@H+](CC)C1CCC1 ZINC000683782204 487097554 /nfs/dbraw/zinc/09/75/54/487097554.db2.gz POUSHICIGGCIHD-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCC[N@@H+](C)C(C)(C)CC ZINC000683783732 487097548 /nfs/dbraw/zinc/09/75/48/487097548.db2.gz OQORHZCQBYTKNV-UHFFFAOYSA-N 1 0 197.366 3.853 20 30 AHEDRO C=CCCCCC[NH+](C(C)C)C(C)C ZINC000683785044 487098052 /nfs/dbraw/zinc/09/80/52/487098052.db2.gz DHRKGQUZBOBCKJ-UHFFFAOYSA-N 1 0 197.366 3.852 20 30 AHEDRO C=CCC[N@@H+](C)C1CCCCCCC1 ZINC000739911706 582724590 /nfs/dbraw/zinc/72/45/90/582724590.db2.gz AJZORXNCKUTZEF-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO CCCCCCC[NH+]1C2CCC1CC2 ZINC000740874548 582730669 /nfs/dbraw/zinc/73/06/69/582730669.db2.gz ORZPJGQWHMJPDK-UHFFFAOYSA-N 1 0 195.350 3.584 20 30 AHEDRO CCCCCCC[N@H+](C)[C@H](C)C1CC1 ZINC000740875849 582730997 /nfs/dbraw/zinc/73/09/97/582730997.db2.gz HNPLUMPBLVFDFZ-GFCCVEGCSA-N 1 0 197.366 3.687 20 30 AHEDRO CCCCCCC[N@H+](C)[C@@H](C)C1CC1 ZINC000740875850 582730751 /nfs/dbraw/zinc/73/07/51/582730751.db2.gz HNPLUMPBLVFDFZ-LBPRGKRZSA-N 1 0 197.366 3.687 20 30 AHEDRO C=CC[N@@H+](CCC(C)(C)CC)C(C)C ZINC000743841178 582738158 /nfs/dbraw/zinc/73/81/58/582738158.db2.gz HGHBMMHUAVUZQI-UHFFFAOYSA-N 1 0 197.366 3.709 20 30 AHEDRO C=C(C)C[N@@H+](C)C1CCCCCCC1 ZINC000748806300 582753742 /nfs/dbraw/zinc/75/37/42/582753742.db2.gz WPUOBUYSVLJPGN-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO CCCCCCC[N@@H+]1CCC=C(F)C1 ZINC000778960057 582872159 /nfs/dbraw/zinc/87/21/59/582872159.db2.gz JAIOEYQNYRIYNS-UHFFFAOYSA-N 1 0 199.313 3.516 20 30 AHEDRO C=CCCCCC[N@H+](CC=C)C(C)C ZINC000785661750 582893323 /nfs/dbraw/zinc/89/33/23/582893323.db2.gz VNEPNKBZEOBVGG-UHFFFAOYSA-N 1 0 195.350 3.629 20 30 AHEDRO C=CC[N@H+](C[C@@H](C)C(C)(C)C)C(C)C ZINC000802638380 674018422 /nfs/dbraw/zinc/01/84/22/674018422.db2.gz NQMVYBFFZPBHKS-GFCCVEGCSA-N 1 0 197.366 3.565 20 30 AHEDRO CCCCCCC[N@@H+]1C[C@H](C)C[C@H]1C ZINC001167477279 760864186 /nfs/dbraw/zinc/86/41/86/760864186.db2.gz CEMRKCRBVQVZTK-CHWSQXEVSA-N 1 0 197.366 3.687 20 30 AHEDRO CCCCCCC[N@@H+]1C[C@@H](C)C[C@H]1C ZINC001167477280 760864860 /nfs/dbraw/zinc/86/48/60/760864860.db2.gz CEMRKCRBVQVZTK-QWHCGFSZSA-N 1 0 197.366 3.687 20 30 AHEDRO CCCCCCCC[N@H+](C)C1CCC1 ZINC001167505525 760865755 /nfs/dbraw/zinc/86/57/55/760865755.db2.gz UAVCMUJDWRFUFL-UHFFFAOYSA-N 1 0 197.366 3.831 20 30 AHEDRO C=CCC[N@@H+](C)CCCCCCCC ZINC001169342358 760977813 /nfs/dbraw/zinc/97/78/13/760977813.db2.gz KWYDDSPUEFULTD-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO C=CC[NH2+][C@H](CC)CCCCCCC ZINC001172350130 761122235 /nfs/dbraw/zinc/12/22/35/761122235.db2.gz KAHRDUKDCJQNSL-CYBMUJFWSA-N 1 0 197.366 3.901 20 30 AHEDRO C=CC[NH2+][C@@H](CC)CCCCCCC ZINC001172350131 761117462 /nfs/dbraw/zinc/11/74/62/761117462.db2.gz KAHRDUKDCJQNSL-ZDUSSCGKSA-N 1 0 197.366 3.901 20 30 AHEDRO CCCCCCC[C@@H](CC)[NH+]1CCC1 ZINC001172356290 761117627 /nfs/dbraw/zinc/11/76/27/761117627.db2.gz IDJGKBKQJASXRC-CYBMUJFWSA-N 1 0 197.366 3.831 20 30 AHEDRO CCCCCCC[C@H](CC)[NH+]1CCC1 ZINC001172356292 761119227 /nfs/dbraw/zinc/11/92/27/761119227.db2.gz IDJGKBKQJASXRC-ZDUSSCGKSA-N 1 0 197.366 3.831 20 30 AHEDRO CCCCCCC[C@@H](CC)[NH2+]C1CC1 ZINC001172360467 761117135 /nfs/dbraw/zinc/11/71/35/761117135.db2.gz JPJMCJWBYWMEPF-GFCCVEGCSA-N 1 0 197.366 3.878 20 30 AHEDRO CCCCCCC[C@H](CC)[NH2+]C1CC1 ZINC001172360470 761115164 /nfs/dbraw/zinc/11/51/64/761115164.db2.gz JPJMCJWBYWMEPF-LBPRGKRZSA-N 1 0 197.366 3.878 20 30 AHEDRO C=CC[NH2+][C@H](CCC)CCCCCC ZINC001172392680 761136605 /nfs/dbraw/zinc/13/66/05/761136605.db2.gz ZDNVWCHRPLFJQH-CYBMUJFWSA-N 1 0 197.366 3.901 20 30 AHEDRO C=CC[NH2+][C@@H](CCC)CCCCCC ZINC001172392681 761140985 /nfs/dbraw/zinc/14/09/85/761140985.db2.gz ZDNVWCHRPLFJQH-ZDUSSCGKSA-N 1 0 197.366 3.901 20 30 AHEDRO C=C(C)C[N@@H+](CC)[C@H](CC)CC(C)C ZINC001172403617 761144990 /nfs/dbraw/zinc/14/49/90/761144990.db2.gz MXELWOCJRXVTPR-CYBMUJFWSA-N 1 0 197.366 3.709 20 30 AHEDRO C=C(C)C[N@@H+](CC)[C@@H](CC)CC(C)C ZINC001172403618 761153856 /nfs/dbraw/zinc/15/38/56/761153856.db2.gz MXELWOCJRXVTPR-ZDUSSCGKSA-N 1 0 197.366 3.709 20 30 AHEDRO CCCCCCC[C@@H](CCC)NC=[NH2+] ZINC001172501016 761198254 /nfs/dbraw/zinc/19/82/54/761198254.db2.gz FNGHJYTWHPOVGA-GFCCVEGCSA-N 1 0 198.354 3.712 20 30 AHEDRO CCCCCCC[C@H](CCC)NC=[NH2+] ZINC001172501021 761206061 /nfs/dbraw/zinc/20/60/61/761206061.db2.gz FNGHJYTWHPOVGA-LBPRGKRZSA-N 1 0 198.354 3.712 20 30 AHEDRO CCCCCCCC[C@@H](CC)NC=[NH2+] ZINC001172504390 761204030 /nfs/dbraw/zinc/20/40/30/761204030.db2.gz YALKRBODJVKVCV-GFCCVEGCSA-N 1 0 198.354 3.712 20 30 AHEDRO CCCCCCCC[C@H](CC)NC=[NH2+] ZINC001172504392 761200759 /nfs/dbraw/zinc/20/07/59/761200759.db2.gz YALKRBODJVKVCV-LBPRGKRZSA-N 1 0 198.354 3.712 20 30 AHEDRO C=C(C)C[NH2+][C@H](CCCC)CC(C)C ZINC001173246277 761220359 /nfs/dbraw/zinc/22/03/59/761220359.db2.gz NEUWFFYTBVDDPS-CYBMUJFWSA-N 1 0 197.366 3.757 20 30 AHEDRO C=C(C)C[NH2+][C@@H](CCCC)CC(C)C ZINC001173246281 761223747 /nfs/dbraw/zinc/22/37/47/761223747.db2.gz NEUWFFYTBVDDPS-ZDUSSCGKSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC[NH2+][C@H](CCCC)CC(C)C ZINC001173250848 761219864 /nfs/dbraw/zinc/21/98/64/761219864.db2.gz WIJODERWHAIVNT-CYBMUJFWSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC[NH2+][C@@H](CCCC)CC(C)C ZINC001173250849 761224884 /nfs/dbraw/zinc/22/48/84/761224884.db2.gz WIJODERWHAIVNT-ZDUSSCGKSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CC[N@@H+](C)[C@H](CCCC)CC(C)C ZINC001173256769 761224310 /nfs/dbraw/zinc/22/43/10/761224310.db2.gz UKIHUEVLBWFRAK-CYBMUJFWSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CC[N@@H+](C)[C@@H](CCCC)CC(C)C ZINC001173256771 761221115 /nfs/dbraw/zinc/22/11/15/761221115.db2.gz UKIHUEVLBWFRAK-ZDUSSCGKSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CC[N@@H+](CC(CC)CC)C(C)(C)C ZINC001174643033 761353089 /nfs/dbraw/zinc/35/30/89/761353089.db2.gz ZQULHFZOVSFJOF-UHFFFAOYSA-N 1 0 197.366 3.709 20 30 AHEDRO C=C(CC)C[N@@H+]1[C@H](CC)CCC[C@@H]1C ZINC001174779635 761359140 /nfs/dbraw/zinc/35/91/40/761359140.db2.gz HXANQMFZBHSGRO-QWHCGFSZSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCC[N@@H+](CC)[C@H](C)[C@H](C)CC ZINC001176798505 761439491 /nfs/dbraw/zinc/43/94/91/761439491.db2.gz QXFNYWHJIPYNJB-CHWSQXEVSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[N@@H+](CC)[C@@H](C)[C@H](C)CC ZINC001176798506 761441792 /nfs/dbraw/zinc/44/17/92/761441792.db2.gz QXFNYWHJIPYNJB-OLZOCXBDSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[N@@H+](CC)[C@H](C)[C@@H](C)CC ZINC001176798507 761444620 /nfs/dbraw/zinc/44/46/20/761444620.db2.gz QXFNYWHJIPYNJB-QWHCGFSZSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[N@@H+](CC)[C@@H](C)[C@@H](C)CC ZINC001176798508 761439317 /nfs/dbraw/zinc/43/93/17/761439317.db2.gz QXFNYWHJIPYNJB-STQMWFEESA-N 1 0 197.366 3.709 20 30 AHEDRO C=CC[N@@H+](CCCCC(C)C)C(C)C ZINC001179997055 761478294 /nfs/dbraw/zinc/47/82/94/761478294.db2.gz BMLPUPHPTJVLJS-UHFFFAOYSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCCC[C@@H](C)[NH2+]CCCC=C ZINC001181410924 761508940 /nfs/dbraw/zinc/50/89/40/761508940.db2.gz UDSHYVARMIGNKX-CYBMUJFWSA-N 1 0 195.350 3.677 20 30 AHEDRO C=CCCCC[C@H](C)[NH2+]CCCC=C ZINC001181410925 761510623 /nfs/dbraw/zinc/51/06/23/761510623.db2.gz UDSHYVARMIGNKX-ZDUSSCGKSA-N 1 0 195.350 3.677 20 30 AHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC001181893748 761527703 /nfs/dbraw/zinc/52/77/03/761527703.db2.gz TXBAJMFDKKLSMM-CHWSQXEVSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@]1(C)CC ZINC001181893749 761529099 /nfs/dbraw/zinc/52/90/99/761529099.db2.gz TXBAJMFDKKLSMM-OLZOCXBDSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@]1(C)CC ZINC001181893750 761529234 /nfs/dbraw/zinc/52/92/34/761529234.db2.gz TXBAJMFDKKLSMM-QWHCGFSZSA-N 1 0 195.350 3.511 20 30 AHEDRO C=C(C)CC[NH2+][C@H]1CCC[C@]1(C)CC ZINC001181893751 761527368 /nfs/dbraw/zinc/52/73/68/761527368.db2.gz TXBAJMFDKKLSMM-STQMWFEESA-N 1 0 195.350 3.511 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]CC[C@H](C)CCC ZINC001183571030 761546251 /nfs/dbraw/zinc/54/62/51/761546251.db2.gz DLVJMLSRRGDCDD-CHWSQXEVSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC[C@H](C)[NH2+]CC[C@H](C)CCC ZINC001183571031 761548317 /nfs/dbraw/zinc/54/83/17/761548317.db2.gz DLVJMLSRRGDCDD-OLZOCXBDSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H](C)CCC ZINC001183571032 761550195 /nfs/dbraw/zinc/55/01/95/761550195.db2.gz DLVJMLSRRGDCDD-QWHCGFSZSA-N 1 0 197.366 3.757 20 30 AHEDRO C=CCC[C@H](C)[NH2+]CC[C@@H](C)CCC ZINC001183571033 761547658 /nfs/dbraw/zinc/54/76/58/761547658.db2.gz DLVJMLSRRGDCDD-STQMWFEESA-N 1 0 197.366 3.757 20 30 AHEDRO C=CC(C)(C)CCC[NH2+]CCC(C)C ZINC001183674329 761558064 /nfs/dbraw/zinc/55/80/64/761558064.db2.gz WMGGOWNWEWJVFV-UHFFFAOYSA-N 1 0 197.366 3.615 20 30 AHEDRO C=C(C)CC[N@@H+](CC)CC(CC)CC ZINC001190324907 761593204 /nfs/dbraw/zinc/59/32/04/761593204.db2.gz IDKCEVXUVHJZER-UHFFFAOYSA-N 1 0 197.366 3.711 20 30 AHEDRO CCCCCCCC[N@H+](CC)C1CC1 ZINC001190331338 761593430 /nfs/dbraw/zinc/59/34/30/761593430.db2.gz FFUZFDMOSMUAFI-UHFFFAOYSA-N 1 0 197.366 3.831 20 30 AHEDRO C=CCC[N@@H+](C)C[C@H](CC)CCCC ZINC001193472933 761624575 /nfs/dbraw/zinc/62/45/75/761624575.db2.gz KVYIAXPGHZNJPI-CYBMUJFWSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CCC[N@@H+](C)C[C@@H](CC)CCCC ZINC001193472941 761623427 /nfs/dbraw/zinc/62/34/27/761623427.db2.gz KVYIAXPGHZNJPI-ZDUSSCGKSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CCCCC[N@@H+](CC)C1CCCC1 ZINC001194221022 761662948 /nfs/dbraw/zinc/66/29/48/761662948.db2.gz HDNHGNYEWUSBJZ-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCC[N@@H+]1[C@H](C)CCC1(C)C ZINC001195074018 761682290 /nfs/dbraw/zinc/68/22/90/761682290.db2.gz BDJANOZYFZSPQY-GFCCVEGCSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCCC[N@@H+]1[C@@H](C)CCC1(C)C ZINC001195074019 761684262 /nfs/dbraw/zinc/68/42/62/761684262.db2.gz BDJANOZYFZSPQY-LBPRGKRZSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCCC[N@@H+](C)CCC(C)(C)C ZINC001195497370 761700229 /nfs/dbraw/zinc/70/02/29/761700229.db2.gz HXCPVVGYKVEAEN-UHFFFAOYSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CC[N@@H+](CCC=C(C)C)C(C)(C)C ZINC001196198254 761708581 /nfs/dbraw/zinc/70/85/81/761708581.db2.gz HRBSROXQYQXKFY-UHFFFAOYSA-N 1 0 195.350 3.629 20 30 AHEDRO CCCCCCC[N@H+](C)CC1CCC1 ZINC001198414106 761710775 /nfs/dbraw/zinc/71/07/75/761710775.db2.gz BIQNQTUPUVXWBF-UHFFFAOYSA-N 1 0 197.366 3.689 20 30 AHEDRO C=CCCC[N@@H+](CC)CCC=C(C)C ZINC001198458587 761711381 /nfs/dbraw/zinc/71/13/81/761711381.db2.gz VYKSTKLEAHQNJQ-UHFFFAOYSA-N 1 0 195.350 3.631 20 30 AHEDRO C=CCCCC[N@@H+](C)CC(CC)CC ZINC001201535313 761776355 /nfs/dbraw/zinc/77/63/55/761776355.db2.gz JQSASXORWMNXJE-UHFFFAOYSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CC[N@@H+](C[C@H](C)CCC)C(C)(C)C ZINC001201553105 761783546 /nfs/dbraw/zinc/78/35/46/761783546.db2.gz GUBCJGBKDYNTLB-GFCCVEGCSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CC[N@@H+](C[C@@H](C)CCC)C(C)(C)C ZINC001201553106 761785275 /nfs/dbraw/zinc/78/52/75/761785275.db2.gz GUBCJGBKDYNTLB-LBPRGKRZSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCCC[N@@H+](C)C[C@H](C)CCC ZINC001201553113 761781969 /nfs/dbraw/zinc/78/19/69/761781969.db2.gz GWYSLBWDCMWUAS-CYBMUJFWSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CCCCC[N@@H+](C)C[C@@H](C)CCC ZINC001201553114 761781343 /nfs/dbraw/zinc/78/13/43/761781343.db2.gz GWYSLBWDCMWUAS-ZDUSSCGKSA-N 1 0 197.366 3.711 20 30 AHEDRO CCCCCCC[N@H+](C)CCC(C)C ZINC001201620077 761798191 /nfs/dbraw/zinc/79/81/91/761798191.db2.gz FMXMLRHJNRCROT-UHFFFAOYSA-N 1 0 199.382 3.935 20 30 AHEDRO C=CCCCC[N@@H+](C)CCCCCC ZINC001201754462 761810177 /nfs/dbraw/zinc/81/01/77/761810177.db2.gz YUKQVQMCUZEWCK-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO C=CC[N@@H+](CCCCCC)C(C)(C)C ZINC001201756506 761810385 /nfs/dbraw/zinc/81/03/85/761810385.db2.gz KOPIYTNFYSAGQM-UHFFFAOYSA-N 1 0 197.366 3.853 20 30 AHEDRO CCCCCCC[N@@H+]1CCCC12CC2 ZINC001201761310 761811246 /nfs/dbraw/zinc/81/12/46/761811246.db2.gz AJILAPUBCHTLDN-UHFFFAOYSA-N 1 0 195.350 3.585 20 30 AHEDRO CCCCCCC[N@H+](C)C1CC(C)C1 ZINC001201761732 761809569 /nfs/dbraw/zinc/80/95/69/761809569.db2.gz QDNPGYXXXKLTAI-UHFFFAOYSA-N 1 0 197.366 3.687 20 30 AHEDRO CCCCCCC[N@H+](C)C(C)(C)C ZINC001201776983 761811003 /nfs/dbraw/zinc/81/10/03/761811003.db2.gz RFLWQWFXUPLOPR-UHFFFAOYSA-N 1 0 185.355 3.687 20 30 AHEDRO CCCCCCC[N@H+](C)C1CCCC1 ZINC001201787612 761811444 /nfs/dbraw/zinc/81/14/44/761811444.db2.gz GFYYYWHXMCOVEM-UHFFFAOYSA-N 1 0 197.366 3.831 20 30 AHEDRO C=C(C)C[N@@H+](CC)CCCCCCC ZINC001201787736 761809711 /nfs/dbraw/zinc/80/97/11/761809711.db2.gz JJJFLSCGQUPUBC-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO CCCCCCC[N@H+](C)CCC1CC1 ZINC001201798028 761810311 /nfs/dbraw/zinc/81/03/11/761810311.db2.gz LUEZVRYUKCPYAP-UHFFFAOYSA-N 1 0 197.366 3.689 20 30 AHEDRO CCCCCCCC[N@H+](C)CC1CC1 ZINC001201804384 761809762 /nfs/dbraw/zinc/80/97/62/761809762.db2.gz JCQHFZDSEYFMFN-UHFFFAOYSA-N 1 0 197.366 3.689 20 30 AHEDRO CCCCCCCC[N@H+](C)C(C)C ZINC001201804432 761811765 /nfs/dbraw/zinc/81/17/65/761811765.db2.gz JUZUZJHYUSQXCI-UHFFFAOYSA-N 1 0 185.355 3.687 20 30 AHEDRO CCCCCCCCC[N@H+](C)C1CC1 ZINC001201839027 761811796 /nfs/dbraw/zinc/81/17/96/761811796.db2.gz HZMGLFWXDVJPER-UHFFFAOYSA-N 1 0 197.366 3.831 20 30 AHEDRO CCCCCCC[N@H+](CC)CC1CC1 ZINC001201917779 761813758 /nfs/dbraw/zinc/81/37/58/761813758.db2.gz DOADNEGTKOLFBY-UHFFFAOYSA-N 1 0 197.366 3.689 20 30 AHEDRO C=CC[N@@H+](CCC(C)(C)C)C(C)(C)C ZINC001202115494 761816467 /nfs/dbraw/zinc/81/64/67/761816467.db2.gz ZSJXMXGONWZDCL-UHFFFAOYSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CC(C)(C)[NH2+]CCC1CCCCC1 ZINC001207753152 762157947 /nfs/dbraw/zinc/15/79/47/762157947.db2.gz SBHNINFGNLBANU-UHFFFAOYSA-N 1 0 195.350 3.511 20 30 AHEDRO CCCCCCC/C=C/C[NH+]1CCC1 ZINC001208119524 762193072 /nfs/dbraw/zinc/19/30/72/762193072.db2.gz DJYRYOZACVGOQF-CMDGGOBGSA-N 1 0 195.350 3.609 20 30 AHEDRO C=C(C)C[N@@H+](CC)CCC/C=C\CC ZINC001208136066 762221746 /nfs/dbraw/zinc/22/17/46/762221746.db2.gz QMGNGQNNZPZQRK-FPLPWBNLSA-N 1 0 195.350 3.631 20 30 AHEDRO C=CC[N@@H+](C)CCCCC/C=C\CC ZINC001208193941 762227305 /nfs/dbraw/zinc/22/73/05/762227305.db2.gz JFCSGOSQBDWAKM-SREVYHEPSA-N 1 0 195.350 3.631 20 30 AHEDRO C=CC[N@@H+](C)CC[C@@H](C)CC(C)(C)C ZINC001208662707 762232338 /nfs/dbraw/zinc/23/23/38/762232338.db2.gz DDQCYCSXWIPYRA-GFCCVEGCSA-N 1 0 197.366 3.567 20 30 AHEDRO C=CC[N@@H+](C)CC[C@H](C)CC(C)(C)C ZINC001208662716 762238808 /nfs/dbraw/zinc/23/88/08/762238808.db2.gz DDQCYCSXWIPYRA-LBPRGKRZSA-N 1 0 197.366 3.567 20 30 AHEDRO C=CCCCC[N@@H+](C)CC/C=C\CC ZINC001208729771 762267563 /nfs/dbraw/zinc/26/75/63/762267563.db2.gz JRFAQNYCSHTFIC-CLFYSBASSA-N 1 0 195.350 3.631 20 30 AHEDRO C=CC[N@@H+](CC/C=C\CC)C(C)(C)C ZINC001208732565 762264428 /nfs/dbraw/zinc/26/44/28/762264428.db2.gz CJTFGWSVWDIWIW-HJWRWDBZSA-N 1 0 195.350 3.629 20 30 AHEDRO C=CCCCC[N@@H+](C)CCCC(C)C ZINC001208736122 762260198 /nfs/dbraw/zinc/26/01/98/762260198.db2.gz BXLPVMGFUGAVLF-UHFFFAOYSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CC[N@@H+](CCCC(C)C)C(C)(C)C ZINC001208736872 762268123 /nfs/dbraw/zinc/26/81/23/762268123.db2.gz CJSMUHFVIHCVQA-UHFFFAOYSA-N 1 0 197.366 3.709 20 30 AHEDRO C=CCCC[N@@H+](C)CCCCCCC ZINC001209162407 762282686 /nfs/dbraw/zinc/28/26/86/762282686.db2.gz XZVVZDGFQVOBFG-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO C=CCCC[NH+]1CCCCCCCC1 ZINC001209163482 762286170 /nfs/dbraw/zinc/28/61/70/762286170.db2.gz FYCOSWUIIYILNX-UHFFFAOYSA-N 1 0 195.350 3.609 20 30 AHEDRO C=CCCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC001209200377 762283690 /nfs/dbraw/zinc/28/36/90/762283690.db2.gz CTHMPWKEEZTEQQ-BETUJISGSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCCC[NH+]1[C@H](C)CCC[C@H]1C ZINC001209200379 762282045 /nfs/dbraw/zinc/28/20/45/762282045.db2.gz CTHMPWKEEZTEQQ-CHWSQXEVSA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC001209200380 762283929 /nfs/dbraw/zinc/28/39/29/762283929.db2.gz CTHMPWKEEZTEQQ-STQMWFEESA-N 1 0 195.350 3.606 20 30 AHEDRO C=CCCCC[N@@H+](C)C1CCCCC1 ZINC001209201237 762284151 /nfs/dbraw/zinc/28/41/51/762284151.db2.gz NDHSXDRSLGOFPD-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCC[N@@H+](CCC)[C@H](C)CC ZINC001209202073 762288887 /nfs/dbraw/zinc/28/88/87/762288887.db2.gz YPGHRPALBANYHY-CYBMUJFWSA-N 1 0 197.366 3.853 20 30 AHEDRO C=CCCCC[N@@H+](CCC)[C@@H](C)CC ZINC001209202074 762289499 /nfs/dbraw/zinc/28/94/99/762289499.db2.gz YPGHRPALBANYHY-ZDUSSCGKSA-N 1 0 197.366 3.853 20 30 AHEDRO C=CCCCC[N@H+]1CCCCC[C@H]1C ZINC001209203232 762289084 /nfs/dbraw/zinc/28/90/84/762289084.db2.gz VLMSMYJOWUSOOE-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCC[N@H+]1CCCCC[C@@H]1C ZINC001209203233 762292301 /nfs/dbraw/zinc/29/23/01/762292301.db2.gz VLMSMYJOWUSOOE-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCC[N@@H+](CCC)CCCC ZINC001209203301 762291937 /nfs/dbraw/zinc/29/19/37/762291937.db2.gz WDOVIXUQDUIHJQ-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO C=CCCCC[NH+]1CCCCCCC1 ZINC001209204552 762291892 /nfs/dbraw/zinc/29/18/92/762291892.db2.gz GBBWNDISVLNIIB-UHFFFAOYSA-N 1 0 195.350 3.609 20 30 AHEDRO C=CCCCC[N@H+]1CCCC[C@H]1CC ZINC001209204673 762290052 /nfs/dbraw/zinc/29/00/52/762290052.db2.gz HULYJABKISHAIT-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCC[N@H+]1CCCC[C@@H]1CC ZINC001209204674 762291257 /nfs/dbraw/zinc/29/12/57/762291257.db2.gz HULYJABKISHAIT-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCC[N@@H+](CC)C(CC)CC ZINC001209205419 762290254 /nfs/dbraw/zinc/29/02/54/762290254.db2.gz XIGZXXUWYQMWTA-UHFFFAOYSA-N 1 0 197.366 3.853 20 30 AHEDRO C=CCCCC[N@@H+](CCC)CC(C)C ZINC001209206993 762287339 /nfs/dbraw/zinc/28/73/39/762287339.db2.gz GSRAWVYDCNULIZ-UHFFFAOYSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CCCCC[N@H+](CC=C)C(C)(C)C ZINC001209207954 762291975 /nfs/dbraw/zinc/29/19/75/762291975.db2.gz IMHKBNAOQITZRR-UHFFFAOYSA-N 1 0 195.350 3.629 20 30 AHEDRO CCCCCCC[N@H+](C)C[C@H]1C[C@H]1C ZINC001209421433 762308570 /nfs/dbraw/zinc/30/85/70/762308570.db2.gz PNRPUSRHWIHIFJ-CHWSQXEVSA-N 1 0 197.366 3.545 20 30 AHEDRO CCCCCCC[N@H+](C)C[C@@H]1C[C@H]1C ZINC001209421434 762308859 /nfs/dbraw/zinc/30/88/59/762308859.db2.gz PNRPUSRHWIHIFJ-OLZOCXBDSA-N 1 0 197.366 3.545 20 30 AHEDRO CCCCCCC[N@H+](C)C[C@H]1C[C@@H]1C ZINC001209421435 762306495 /nfs/dbraw/zinc/30/64/95/762306495.db2.gz PNRPUSRHWIHIFJ-QWHCGFSZSA-N 1 0 197.366 3.545 20 30 AHEDRO CCCCCCC[N@H+](C)C[C@@H]1C[C@@H]1C ZINC001209421436 762307513 /nfs/dbraw/zinc/30/75/13/762307513.db2.gz PNRPUSRHWIHIFJ-STQMWFEESA-N 1 0 197.366 3.545 20 30 AHEDRO C=CCCCCC[NH+](CCC)CCC ZINC001209422965 762313091 /nfs/dbraw/zinc/31/30/91/762313091.db2.gz AODBNYLCCUFJNC-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO C=CCCCCC[N@@H+](CC)CCCC ZINC001209423588 762311882 /nfs/dbraw/zinc/31/18/82/762311882.db2.gz SYTMLLMOUMRFIC-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO C=CCCCCC[N@@H+](C)CC(C)(C)C ZINC001209427565 762312192 /nfs/dbraw/zinc/31/21/92/762312192.db2.gz STOQATHZDNPXJA-UHFFFAOYSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CCCCCC[N@@H+](C)C(CC)CC ZINC001209429214 762314509 /nfs/dbraw/zinc/31/45/09/762314509.db2.gz WQEHEWIPQMOUEC-UHFFFAOYSA-N 1 0 197.366 3.853 20 30 AHEDRO C=CCCCCCC[N@@H+](CC)C1CC1 ZINC001209430946 762310801 /nfs/dbraw/zinc/31/08/01/762310801.db2.gz FGIYVNUTUYQVBX-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCCC[N@H+]1CCC[C@H]1C ZINC001209431433 762311999 /nfs/dbraw/zinc/31/19/99/762311999.db2.gz NWEVJOXGAGIZAX-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCCC[N@H+]1CCC[C@@H]1C ZINC001209431435 762314068 /nfs/dbraw/zinc/31/40/68/762314068.db2.gz NWEVJOXGAGIZAX-ZDUSSCGKSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCCC[N@@H+](C)CCCC ZINC001209431539 762312314 /nfs/dbraw/zinc/31/23/14/762312314.db2.gz PKPCALXHACSTFT-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO C=CCCCCCC[N@@H+](C)CC(C)C ZINC001209431935 762312449 /nfs/dbraw/zinc/31/24/49/762312449.db2.gz WHZYZCLZCLINQP-UHFFFAOYSA-N 1 0 197.366 3.711 20 30 AHEDRO C=CCCCCCC[N@@H+](CC)CCC ZINC001209431984 762311337 /nfs/dbraw/zinc/31/13/37/762311337.db2.gz XEXDLRXDQBAWLI-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO C=CCCCCCC[N@@H+](CC)C(C)C ZINC001209431995 762313828 /nfs/dbraw/zinc/31/38/28/762313828.db2.gz XJENIQBWIWFBEZ-UHFFFAOYSA-N 1 0 197.366 3.853 20 30 AHEDRO C=CCCCCCC[N@@H+](C)[C@H](C)CC ZINC001209435439 762311074 /nfs/dbraw/zinc/31/10/74/762311074.db2.gz JSLJCTWDAIEDRU-CYBMUJFWSA-N 1 0 197.366 3.853 20 30 AHEDRO C=CCCCCCC[N@@H+](C)[C@@H](C)CC ZINC001209435440 762312129 /nfs/dbraw/zinc/31/21/29/762312129.db2.gz JSLJCTWDAIEDRU-ZDUSSCGKSA-N 1 0 197.366 3.853 20 30 AHEDRO C=CCCCCCC[N@@H+](C)C(C)(C)C ZINC001209435798 762318574 /nfs/dbraw/zinc/31/85/74/762318574.db2.gz JRBOZDXNVFSQKO-UHFFFAOYSA-N 1 0 197.366 3.853 20 30 AHEDRO C=CCCCCCCC[N@@H+](C)C1CC1 ZINC001209438013 762316266 /nfs/dbraw/zinc/31/62/66/762316266.db2.gz BUAFNYZHKNRXSS-UHFFFAOYSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCCCC[NH+]1CCCC1 ZINC001209438132 762316680 /nfs/dbraw/zinc/31/66/80/762316680.db2.gz GXSBSNZRPVOLHX-UHFFFAOYSA-N 1 0 195.350 3.609 20 30 AHEDRO C=CCCCCCCC[N@@H+](C)CCC ZINC001209438444 762315383 /nfs/dbraw/zinc/31/53/83/762315383.db2.gz LHNQCHPRLKHCJQ-UHFFFAOYSA-N 1 0 197.366 3.855 20 30 AHEDRO C=CCCCCCCC[N@@H+](C)C(C)C ZINC001209438663 762318959 /nfs/dbraw/zinc/31/89/59/762318959.db2.gz RJZMWJMHYLCJTL-UHFFFAOYSA-N 1 0 197.366 3.853 20 30 AHEDRO C=CCCCCCCC[N@H+]1CC[C@H]1C ZINC001209438678 762315534 /nfs/dbraw/zinc/31/55/34/762315534.db2.gz SEPXCSFIVJCEKZ-CYBMUJFWSA-N 1 0 195.350 3.607 20 30 AHEDRO C=CCCCCCCC[N@H+]1CC[C@@H]1C ZINC001209438679 762317859 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