smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CCC1CC1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825919125 607523055 /nfs/dbraw/zinc/52/30/55/607523055.db2.gz UVJYLPUHSJRMKT-UHFFFAOYSA-N 1 1 343.391 0.360 20 50 ECGDMO O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=C1CC[N@H+]2CCC[C@@H]12 ZINC000826417666 608227708 /nfs/dbraw/zinc/22/77/08/608227708.db2.gz ZBEPTEBWCMLDMH-AWEZNQCLSA-N 1 1 341.375 0.586 20 50 ECGDMO C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC000825892492 607923405 /nfs/dbraw/zinc/92/34/05/607923405.db2.gz MNKZBJURGSRDRZ-UHFFFAOYSA-N 1 1 329.364 0.112 20 50 ECGDMO CC(C)[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000824288335 607921229 /nfs/dbraw/zinc/92/12/29/607921229.db2.gz DEFHOBWTIGRKBT-UHFFFAOYSA-N 1 1 343.391 0.501 20 50 ECGDMO C[N@H+]1CCCC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826029835 607964703 /nfs/dbraw/zinc/96/47/03/607964703.db2.gz XTBPEBMFHCRTLK-UHFFFAOYSA-N 1 1 343.391 0.833 20 50 ECGDMO CCC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000825307705 607922647 /nfs/dbraw/zinc/92/26/47/607922647.db2.gz MQVZVFSHTIKCOK-UHFFFAOYSA-N 1 1 343.391 0.502 20 50 ECGDMO CCc1[nH+]ccn1CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825755194 607932886 /nfs/dbraw/zinc/93/28/86/607932886.db2.gz RUOGXTYCCVQVBD-UHFFFAOYSA-N 1 1 340.347 0.087 20 50 ECGDMO CC1(C)CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824807655 607922152 /nfs/dbraw/zinc/92/21/52/607922152.db2.gz KSYCBWLFFUKLKN-UHFFFAOYSA-N 1 1 343.391 0.502 20 50 ECGDMO CC[C@H](C)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825067117 607924988 /nfs/dbraw/zinc/92/49/88/607924988.db2.gz HSAYDMQSCXAEFL-JTQLQIEISA-N 1 1 331.380 0.358 20 50 ECGDMO CCC[C@@H](C)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825234201 607920874 /nfs/dbraw/zinc/92/08/74/607920874.db2.gz XJPPMCNJFXSHCR-LLVKDONJSA-N 1 1 345.407 0.748 20 50 ECGDMO Cc1[nH+]cn(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826331351 607922856 /nfs/dbraw/zinc/92/28/56/607922856.db2.gz DRSLILRIQIBUFB-UHFFFAOYSA-N 1 1 340.347 0.141 20 50 ECGDMO CC[C@@H](C)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825067119 607925310 /nfs/dbraw/zinc/92/53/10/607925310.db2.gz HSAYDMQSCXAEFL-SNVBAGLBSA-N 1 1 331.380 0.358 20 50 ECGDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824193257 607920591 /nfs/dbraw/zinc/92/05/91/607920591.db2.gz VSVQXVZIDWPPBK-LLVKDONJSA-N 1 1 345.407 0.604 20 50 ECGDMO CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000825395176 607570453 /nfs/dbraw/zinc/57/04/53/607570453.db2.gz LYXNZODKDWSPIW-UHFFFAOYSA-N 1 1 329.364 0.112 20 50 ECGDMO CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000825395176 607570454 /nfs/dbraw/zinc/57/04/54/607570454.db2.gz LYXNZODKDWSPIW-UHFFFAOYSA-N 1 1 329.364 0.112 20 50 ECGDMO CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC000825394803 607923605 /nfs/dbraw/zinc/92/36/05/607923605.db2.gz HTCQIFKOEZNWHD-UHFFFAOYSA-N 1 1 343.391 0.502 20 50 ECGDMO C=C(C)C[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823877638 609371157 /nfs/dbraw/zinc/37/11/57/609371157.db2.gz BZQSCLLHKBLWRS-UHFFFAOYSA-N 1 1 329.364 0.136 20 50 ECGDMO C=C(C)C[N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823877638 609371158 /nfs/dbraw/zinc/37/11/58/609371158.db2.gz BZQSCLLHKBLWRS-UHFFFAOYSA-N 1 1 329.364 0.136 20 50 ECGDMO N#CC1=CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826380735 609480489 /nfs/dbraw/zinc/48/04/89/609480489.db2.gz KYJJTJDVRKDNHO-AWEZNQCLSA-N 1 1 326.360 0.762 20 50 ECGDMO N#CC1=CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826380735 609480491 /nfs/dbraw/zinc/48/04/91/609480491.db2.gz KYJJTJDVRKDNHO-AWEZNQCLSA-N 1 1 326.360 0.762 20 50 ECGDMO O=C(CCCC[NH+]1CCOCC1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826406268 607334311 /nfs/dbraw/zinc/33/43/11/607334311.db2.gz OYLQDVVMBIMLNZ-UHFFFAOYSA-N 1 1 345.407 0.812 20 50 ECGDMO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824873939 607923164 /nfs/dbraw/zinc/92/31/64/607923164.db2.gz ABWCCISZFKIJTH-GHMZBOCLSA-N 1 1 343.391 0.358 20 50 ECGDMO Cc1c(C=C(C#N)C(=O)NCC[NH+]2CCC2)cc(-c2nn[nH]n2)n1C ZINC000826235787 607765702 /nfs/dbraw/zinc/76/57/02/607765702.db2.gz RCDKDRUDBNTFRQ-MDWZMJQESA-N 1 1 340.391 0.243 20 50 ECGDMO C[C@H](C1CC1)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824377679 607920495 /nfs/dbraw/zinc/92/04/95/607920495.db2.gz KZNJINYMFPCJTF-SNVBAGLBSA-N 1 1 343.391 0.358 20 50 ECGDMO CCCC[N@@H+](CC)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825282737 608122171 /nfs/dbraw/zinc/12/21/71/608122171.db2.gz YJISGCWBTONUDB-UHFFFAOYSA-N 1 1 345.407 0.750 20 50 ECGDMO Cc1[nH+]cn(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826331837 608220381 /nfs/dbraw/zinc/22/03/81/608220381.db2.gz ZVYKEKGLTRTUMI-UHFFFAOYSA-N 1 1 340.347 0.141 20 50 ECGDMO O=C(CCCC[NH+]1CCOCC1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826406437 607354235 /nfs/dbraw/zinc/35/42/35/607354235.db2.gz XHFBZXYGZRYWOG-UHFFFAOYSA-N 1 1 345.407 0.812 20 50 ECGDMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824377678 607920333 /nfs/dbraw/zinc/92/03/33/607920333.db2.gz KZNJINYMFPCJTF-JTQLQIEISA-N 1 1 343.391 0.358 20 50 ECGDMO C[C@@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824938987 607920537 /nfs/dbraw/zinc/92/05/37/607920537.db2.gz XDRGLTJLKGREHB-LLVKDONJSA-N 1 1 343.391 0.502 20 50 ECGDMO C[C@@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824938987 607920538 /nfs/dbraw/zinc/92/05/38/607920538.db2.gz XDRGLTJLKGREHB-LLVKDONJSA-N 1 1 343.391 0.502 20 50 ECGDMO C[N@H+](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCSC1 ZINC000825892570 608199934 /nfs/dbraw/zinc/19/99/34/608199934.db2.gz PEFLEDIEAPGSAY-GFCCVEGCSA-N 1 1 333.421 0.747 20 50 ECGDMO C[N@@H+](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCSC1 ZINC000825892570 608199936 /nfs/dbraw/zinc/19/99/36/608199936.db2.gz PEFLEDIEAPGSAY-GFCCVEGCSA-N 1 1 333.421 0.747 20 50 ECGDMO C[N@@H+](CCC1CC1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825918959 607523099 /nfs/dbraw/zinc/52/30/99/607523099.db2.gz QPSIBGUUYRKZBE-UHFFFAOYSA-N 1 1 343.391 0.360 20 50 ECGDMO C[C@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824938988 607920409 /nfs/dbraw/zinc/92/04/09/607920409.db2.gz XDRGLTJLKGREHB-NSHDSACASA-N 1 1 343.391 0.502 20 50 ECGDMO C[C@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824938988 607920410 /nfs/dbraw/zinc/92/04/10/607920410.db2.gz XDRGLTJLKGREHB-NSHDSACASA-N 1 1 343.391 0.502 20 50 ECGDMO CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000825395076 607921536 /nfs/dbraw/zinc/92/15/36/607921536.db2.gz KFYMFSLPIMPYJJ-UHFFFAOYSA-N 1 1 331.380 0.358 20 50 ECGDMO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824873940 607923213 /nfs/dbraw/zinc/92/32/13/607923213.db2.gz ABWCCISZFKIJTH-MNOVXSKESA-N 1 1 343.391 0.358 20 50 ECGDMO CCC(C)(C)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825039097 607925290 /nfs/dbraw/zinc/92/52/90/607925290.db2.gz MGZIKPHXHMRVAS-UHFFFAOYSA-N 1 1 345.407 0.748 20 50 ECGDMO CCc1[nH+]ccn1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825755383 607932840 /nfs/dbraw/zinc/93/28/40/607932840.db2.gz WRSIVUNXEPTNDU-UHFFFAOYSA-N 1 1 340.347 0.087 20 50 ECGDMO C[N@H+](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCSC1 ZINC000825892158 608200206 /nfs/dbraw/zinc/20/02/06/608200206.db2.gz HCGZWYPXGINGKP-LBPRGKRZSA-N 1 1 333.421 0.747 20 50 ECGDMO C[N@@H+](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCSC1 ZINC000825892158 608200207 /nfs/dbraw/zinc/20/02/07/608200207.db2.gz HCGZWYPXGINGKP-LBPRGKRZSA-N 1 1 333.421 0.747 20 50 ECGDMO C=C(C)C[N@@H+](C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823877746 609371217 /nfs/dbraw/zinc/37/12/17/609371217.db2.gz FDHQMSGRSBKWGX-UHFFFAOYSA-N 1 1 329.364 0.136 20 50 ECGDMO C=C(C)C[N@H+](C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823877746 609371221 /nfs/dbraw/zinc/37/12/21/609371221.db2.gz FDHQMSGRSBKWGX-UHFFFAOYSA-N 1 1 329.364 0.136 20 50 ECGDMO CC[C@@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825201606 607922337 /nfs/dbraw/zinc/92/23/37/607922337.db2.gz HXWVFIDVCSEULQ-CYBMUJFWSA-N 1 1 343.391 0.502 20 50 ECGDMO C=C(C)C[N@@H+](CC)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823877824 608122476 /nfs/dbraw/zinc/12/24/76/608122476.db2.gz HBCWRBDTDMAUND-UHFFFAOYSA-N 1 1 343.391 0.526 20 50 ECGDMO C=C(C)C[N@H+](CC)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823877824 608122477 /nfs/dbraw/zinc/12/24/77/608122477.db2.gz HBCWRBDTDMAUND-UHFFFAOYSA-N 1 1 343.391 0.526 20 50 ECGDMO CCN1CC[NH+](CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825458226 607345425 /nfs/dbraw/zinc/34/54/25/607345425.db2.gz AYMMYHBZRVJOKC-UHFFFAOYSA-N 1 1 344.423 0.337 20 50 ECGDMO CC[C@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825201607 607922575 /nfs/dbraw/zinc/92/25/75/607922575.db2.gz HXWVFIDVCSEULQ-ZDUSSCGKSA-N 1 1 343.391 0.502 20 50 ECGDMO C[N@H+]1CCCC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC000826029750 607964891 /nfs/dbraw/zinc/96/48/91/607964891.db2.gz VVCBQAQYCQVNPS-UHFFFAOYSA-N 1 1 343.391 0.833 20 50 ECGDMO C[N@H+](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCSC1 ZINC000825892156 608200099 /nfs/dbraw/zinc/20/00/99/608200099.db2.gz HCGZWYPXGINGKP-GFCCVEGCSA-N 1 1 333.421 0.747 20 50 ECGDMO C[N@@H+](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCSC1 ZINC000825892156 608200100 /nfs/dbraw/zinc/20/01/00/608200100.db2.gz HCGZWYPXGINGKP-GFCCVEGCSA-N 1 1 333.421 0.747 20 50 ECGDMO CCC[C@H](C)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825234203 607920609 /nfs/dbraw/zinc/92/06/09/607920609.db2.gz XJPPMCNJFXSHCR-NSHDSACASA-N 1 1 345.407 0.748 20 50 ECGDMO O=C(COc1ccccc1-c1nn[nH]n1)NN=C1CC[N@H+]2CCC[C@H]12 ZINC000826419458 608227522 /nfs/dbraw/zinc/22/75/22/608227522.db2.gz YQLXTXDIWMAVNR-CYBMUJFWSA-N 1 1 341.375 0.586 20 50 ECGDMO O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=C1CC[N@H+]2CCC[C@H]12 ZINC000826417667 608227921 /nfs/dbraw/zinc/22/79/21/608227921.db2.gz ZBEPTEBWCMLDMH-CQSZACIVSA-N 1 1 341.375 0.586 20 50 ECGDMO Cc1c(C=C(C#N)C(=O)NCC[NH+]2CCC2)cc(-c2nn[nH]n2)n1C ZINC000826235786 607765704 /nfs/dbraw/zinc/76/57/04/607765704.db2.gz RCDKDRUDBNTFRQ-JYRVWZFOSA-N 1 1 340.391 0.243 20 50 ECGDMO C[N@H+](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCSC1 ZINC000825892571 608200250 /nfs/dbraw/zinc/20/02/50/608200250.db2.gz PEFLEDIEAPGSAY-LBPRGKRZSA-N 1 1 333.421 0.747 20 50 ECGDMO C[N@@H+](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCSC1 ZINC000825892571 608200252 /nfs/dbraw/zinc/20/02/52/608200252.db2.gz PEFLEDIEAPGSAY-LBPRGKRZSA-N 1 1 333.421 0.747 20 50 ECGDMO C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824873942 607923158 /nfs/dbraw/zinc/92/31/58/607923158.db2.gz ABWCCISZFKIJTH-WDEREUQCSA-N 1 1 343.391 0.358 20 50 ECGDMO CC[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000825395503 607570652 /nfs/dbraw/zinc/57/06/52/607570652.db2.gz QYFHFAUENXQHKC-UHFFFAOYSA-N 1 1 329.364 0.112 20 50 ECGDMO CC[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000825395503 607570654 /nfs/dbraw/zinc/57/06/54/607570654.db2.gz QYFHFAUENXQHKC-UHFFFAOYSA-N 1 1 329.364 0.112 20 50 ECGDMO CCCC[N@@H+](CC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825281401 607920922 /nfs/dbraw/zinc/92/09/22/607920922.db2.gz DBAIRTFJGCUQLW-UHFFFAOYSA-N 1 1 345.407 0.750 20 50 ECGDMO CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC1CC1 ZINC000825395020 607922454 /nfs/dbraw/zinc/92/24/54/607922454.db2.gz JKKBQTHMXWENBV-UHFFFAOYSA-N 1 1 343.391 0.360 20 50 ECGDMO O=C(COc1ccccc1-c1nn[nH]n1)NN=C1CC[N@H+]2CCC[C@@H]12 ZINC000826419459 608227965 /nfs/dbraw/zinc/22/79/65/608227965.db2.gz YQLXTXDIWMAVNR-ZDUSSCGKSA-N 1 1 341.375 0.586 20 50 ECGDMO CCN1CC[NH+](CCC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825460533 607720680 /nfs/dbraw/zinc/72/06/80/607720680.db2.gz ZTKSRAQABBHGRV-UHFFFAOYSA-N 1 1 344.423 0.337 20 50 ECGDMO N#CC1=CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826380736 609480253 /nfs/dbraw/zinc/48/02/53/609480253.db2.gz KYJJTJDVRKDNHO-CQSZACIVSA-N 1 1 326.360 0.762 20 50 ECGDMO N#CC1=CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826380736 609480255 /nfs/dbraw/zinc/48/02/55/609480255.db2.gz KYJJTJDVRKDNHO-CQSZACIVSA-N 1 1 326.360 0.762 20 50 ECGDMO CC[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)CC1CC1 ZINC000825395160 608155880 /nfs/dbraw/zinc/15/58/80/608155880.db2.gz LTSAKJYBQQMXFM-UHFFFAOYSA-N 1 1 343.391 0.360 20 50 ECGDMO C[C@H]1C[C@H](C)[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824873941 607923125 /nfs/dbraw/zinc/92/31/25/607923125.db2.gz ABWCCISZFKIJTH-QWRGUYRKSA-N 1 1 343.391 0.358 20 50 ECGDMO C=CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000823903626 607921226 /nfs/dbraw/zinc/92/12/26/607921226.db2.gz FGPHRKSJHSVLSV-UHFFFAOYSA-N 1 1 343.391 0.524 20 50 ECGDMO C=CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000823903626 607921227 /nfs/dbraw/zinc/92/12/27/607921227.db2.gz FGPHRKSJHSVLSV-UHFFFAOYSA-N 1 1 343.391 0.524 20 50 ECGDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824193259 607920328 /nfs/dbraw/zinc/92/03/28/607920328.db2.gz VSVQXVZIDWPPBK-NSHDSACASA-N 1 1 345.407 0.604 20 50 ECGDMO C=C(C)C[N@@H+](CC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823878080 607920353 /nfs/dbraw/zinc/92/03/53/607920353.db2.gz NTLHRRSEVSYQIG-UHFFFAOYSA-N 1 1 343.391 0.526 20 50 ECGDMO C=C(C)C[N@H+](CC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823878080 607920354 /nfs/dbraw/zinc/92/03/54/607920354.db2.gz NTLHRRSEVSYQIG-UHFFFAOYSA-N 1 1 343.391 0.526 20 50 ECGDMO C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000825892147 607920623 /nfs/dbraw/zinc/92/06/23/607920623.db2.gz GZKOPOZHJPOGOL-UHFFFAOYSA-N 1 1 343.391 0.502 20 50 ECGDMO