smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H]([NH2+]CCc1cc[nH+]cc1C)C1CC1 ZINC000090846934 345576414 /nfs/dbraw/zinc/57/64/14/345576414.db2.gz ONWVXZAIFDMMHZ-INIZCTEOSA-N 2 2 244.382 3.267 20 30 BGEDLP C=CCC[C@@H]([NH2+]CCc1cc[nH+]cc1C)C1CC1 ZINC000090846935 345576929 /nfs/dbraw/zinc/57/69/29/345576929.db2.gz ONWVXZAIFDMMHZ-MRXNPFEDSA-N 2 2 244.382 3.267 20 30 BGEDLP C=CCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000091075157 345582414 /nfs/dbraw/zinc/58/24/14/345582414.db2.gz NOAFRTRGOJXTHY-UHFFFAOYSA-N 2 2 246.398 3.063 20 30 BGEDLP C=CCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000091075157 345582411 /nfs/dbraw/zinc/58/24/11/345582411.db2.gz NOAFRTRGOJXTHY-UHFFFAOYSA-N 2 2 246.398 3.063 20 30 BGEDLP C=CCCC[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000091513224 345596169 /nfs/dbraw/zinc/59/61/69/345596169.db2.gz QAFPLGCCDBWJHJ-AWEZNQCLSA-N 2 2 247.386 3.265 20 30 BGEDLP C=CCCC[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000091513225 345596462 /nfs/dbraw/zinc/59/64/62/345596462.db2.gz QAFPLGCCDBWJHJ-CQSZACIVSA-N 2 2 247.386 3.265 20 30 BGEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091622000 345601395 /nfs/dbraw/zinc/60/13/95/345601395.db2.gz ZQQWJNFJPXBDSJ-KBPBESRZSA-N 2 2 247.386 3.334 20 30 BGEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091622000 345601393 /nfs/dbraw/zinc/60/13/93/345601393.db2.gz ZQQWJNFJPXBDSJ-KBPBESRZSA-N 2 2 247.386 3.334 20 30 BGEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091622001 345601252 /nfs/dbraw/zinc/60/12/52/345601252.db2.gz ZQQWJNFJPXBDSJ-KGLIPLIRSA-N 2 2 247.386 3.334 20 30 BGEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091622001 345601249 /nfs/dbraw/zinc/60/12/49/345601249.db2.gz ZQQWJNFJPXBDSJ-KGLIPLIRSA-N 2 2 247.386 3.334 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000103403859 585101699 /nfs/dbraw/zinc/10/16/99/585101699.db2.gz HKBQPJXMYFHYLX-ZIAGYGMSSA-N 2 2 228.424 3.275 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000103403862 585101605 /nfs/dbraw/zinc/10/16/05/585101605.db2.gz HKBQPJXMYFHYLX-UONOGXRCSA-N 2 2 228.424 3.275 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000103403864 585101609 /nfs/dbraw/zinc/10/16/09/585101609.db2.gz HKBQPJXMYFHYLX-KGLIPLIRSA-N 2 2 228.424 3.275 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000103403866 585101591 /nfs/dbraw/zinc/10/15/91/585101591.db2.gz HKBQPJXMYFHYLX-KBPBESRZSA-N 2 2 228.424 3.275 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000103894028 587909642 /nfs/dbraw/zinc/90/96/42/587909642.db2.gz BIOOPBFXICFPCS-HUUCEWRRSA-N 2 2 240.435 3.419 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000103894028 587909640 /nfs/dbraw/zinc/90/96/40/587909640.db2.gz BIOOPBFXICFPCS-HUUCEWRRSA-N 2 2 240.435 3.419 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000103894031 587909654 /nfs/dbraw/zinc/90/96/54/587909654.db2.gz BIOOPBFXICFPCS-LSDHHAIUSA-N 2 2 240.435 3.419 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000103894031 587909652 /nfs/dbraw/zinc/90/96/52/587909652.db2.gz BIOOPBFXICFPCS-LSDHHAIUSA-N 2 2 240.435 3.419 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000103894034 587910622 /nfs/dbraw/zinc/91/06/22/587910622.db2.gz BIOOPBFXICFPCS-CABCVRRESA-N 2 2 240.435 3.419 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000103894034 587910621 /nfs/dbraw/zinc/91/06/21/587910621.db2.gz BIOOPBFXICFPCS-CABCVRRESA-N 2 2 240.435 3.419 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000103894036 587910638 /nfs/dbraw/zinc/91/06/38/587910638.db2.gz BIOOPBFXICFPCS-GJZGRUSLSA-N 2 2 240.435 3.419 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000103894036 587910635 /nfs/dbraw/zinc/91/06/35/587910635.db2.gz BIOOPBFXICFPCS-GJZGRUSLSA-N 2 2 240.435 3.419 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000104421326 587959538 /nfs/dbraw/zinc/95/95/38/587959538.db2.gz GBKSRPIIQWOWOI-CQSZACIVSA-N 2 2 237.391 3.222 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000104421332 587959663 /nfs/dbraw/zinc/95/96/63/587959663.db2.gz GBKSRPIIQWOWOI-AWEZNQCLSA-N 2 2 237.391 3.222 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000104778425 588027837 /nfs/dbraw/zinc/02/78/37/588027837.db2.gz AGCSVJYFFZUZJO-ZIAGYGMSSA-N 2 2 226.408 3.029 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000104778425 588027834 /nfs/dbraw/zinc/02/78/34/588027834.db2.gz AGCSVJYFFZUZJO-ZIAGYGMSSA-N 2 2 226.408 3.029 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000104778428 588028166 /nfs/dbraw/zinc/02/81/66/588028166.db2.gz AGCSVJYFFZUZJO-UONOGXRCSA-N 2 2 226.408 3.029 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000104778428 588028165 /nfs/dbraw/zinc/02/81/65/588028165.db2.gz AGCSVJYFFZUZJO-UONOGXRCSA-N 2 2 226.408 3.029 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000104778431 588027958 /nfs/dbraw/zinc/02/79/58/588027958.db2.gz AGCSVJYFFZUZJO-KGLIPLIRSA-N 2 2 226.408 3.029 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000104778431 588027956 /nfs/dbraw/zinc/02/79/56/588027956.db2.gz AGCSVJYFFZUZJO-KGLIPLIRSA-N 2 2 226.408 3.029 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000104778432 588027920 /nfs/dbraw/zinc/02/79/20/588027920.db2.gz AGCSVJYFFZUZJO-KBPBESRZSA-N 2 2 226.408 3.029 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000104778432 588027918 /nfs/dbraw/zinc/02/79/18/588027918.db2.gz AGCSVJYFFZUZJO-KBPBESRZSA-N 2 2 226.408 3.029 20 30 BGEDLP C=C(C)C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000118975456 323083794 /nfs/dbraw/zinc/08/37/94/323083794.db2.gz FSDHPDAOVRCYNU-UHFFFAOYSA-N 2 2 246.398 3.063 20 30 BGEDLP C=C(C)C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000118975456 323083793 /nfs/dbraw/zinc/08/37/93/323083793.db2.gz FSDHPDAOVRCYNU-UHFFFAOYSA-N 2 2 246.398 3.063 20 30 BGEDLP CCCCCCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000130139065 591441803 /nfs/dbraw/zinc/44/18/03/591441803.db2.gz CTKKWOTYQALMQC-KGLIPLIRSA-N 2 2 228.424 3.275 20 30 BGEDLP CCCCCCC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000130139295 591441823 /nfs/dbraw/zinc/44/18/23/591441823.db2.gz CTKKWOTYQALMQC-KBPBESRZSA-N 2 2 228.424 3.275 20 30 BGEDLP C=CCC[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000130560754 591481700 /nfs/dbraw/zinc/48/17/00/591481700.db2.gz XCFJKIJUSDDULY-KBPBESRZSA-N 2 2 249.402 3.242 20 30 BGEDLP C=CCC[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000130560949 591483311 /nfs/dbraw/zinc/48/33/11/591483311.db2.gz XCFJKIJUSDDULY-KGLIPLIRSA-N 2 2 249.402 3.242 20 30 BGEDLP C=CCC[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000130561195 591483235 /nfs/dbraw/zinc/48/32/35/591483235.db2.gz XCFJKIJUSDDULY-UONOGXRCSA-N 2 2 249.402 3.242 20 30 BGEDLP C=CCC[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000130561399 591484145 /nfs/dbraw/zinc/48/41/45/591484145.db2.gz XCFJKIJUSDDULY-ZIAGYGMSSA-N 2 2 249.402 3.242 20 30 BGEDLP C=C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132682307 358732692 /nfs/dbraw/zinc/73/26/92/358732692.db2.gz RWIAOBFDOQNHDV-STQMWFEESA-N 2 2 241.338 3.097 20 30 BGEDLP C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132682525 358732579 /nfs/dbraw/zinc/73/25/79/358732579.db2.gz RWIAOBFDOQNHDV-OLZOCXBDSA-N 2 2 241.338 3.097 20 30 BGEDLP C=C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132682764 358732701 /nfs/dbraw/zinc/73/27/01/358732701.db2.gz RWIAOBFDOQNHDV-QWHCGFSZSA-N 2 2 241.338 3.097 20 30 BGEDLP C=C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132682975 358732712 /nfs/dbraw/zinc/73/27/12/358732712.db2.gz RWIAOBFDOQNHDV-CHWSQXEVSA-N 2 2 241.338 3.097 20 30 BGEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000151856379 583991879 /nfs/dbraw/zinc/99/18/79/583991879.db2.gz PUELATSONMQNAY-SOUVJXGZSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000151856557 583991904 /nfs/dbraw/zinc/99/19/04/583991904.db2.gz PUELATSONMQNAY-KKUMJFAQSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@H](CC)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000151872473 566436073 /nfs/dbraw/zinc/43/60/73/566436073.db2.gz GDLRIMURZZUCDZ-GJZGRUSLSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000151872556 566436242 /nfs/dbraw/zinc/43/62/42/566436242.db2.gz GDLRIMURZZUCDZ-LSDHHAIUSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@H](CC)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000151872634 566434723 /nfs/dbraw/zinc/43/47/23/566434723.db2.gz GDLRIMURZZUCDZ-CABCVRRESA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000151872707 566435831 /nfs/dbraw/zinc/43/58/31/566435831.db2.gz GDLRIMURZZUCDZ-HUUCEWRRSA-N 2 2 238.419 3.195 20 30 BGEDLP CCCCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000158081291 385335673 /nfs/dbraw/zinc/33/56/73/385335673.db2.gz OLYPBEMJZPQGNG-UHFFFAOYSA-N 2 2 249.402 3.490 20 30 BGEDLP C=CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000167407682 537951643 /nfs/dbraw/zinc/95/16/43/537951643.db2.gz JCTQFKCZQSQQSU-ZDUSSCGKSA-N 2 2 241.338 3.099 20 30 BGEDLP C=CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000167407794 537951623 /nfs/dbraw/zinc/95/16/23/537951623.db2.gz JCTQFKCZQSQQSU-CYBMUJFWSA-N 2 2 241.338 3.099 20 30 BGEDLP C=CCC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000178956619 166302553 /nfs/dbraw/zinc/30/25/53/166302553.db2.gz GKMVJYDWEVRZCQ-HNNXBMFYSA-N 2 2 241.338 3.207 20 30 BGEDLP C=CCC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000178956626 166294692 /nfs/dbraw/zinc/29/46/92/166294692.db2.gz GKMVJYDWEVRZCQ-OAHLLOKOSA-N 2 2 241.338 3.207 20 30 BGEDLP CCCCCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181070620 633069017 /nfs/dbraw/zinc/06/90/17/633069017.db2.gz ZXUVFQKXMGFSFN-UHFFFAOYSA-N 2 2 237.391 3.175 20 30 BGEDLP CCCCCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181070620 633069011 /nfs/dbraw/zinc/06/90/11/633069011.db2.gz ZXUVFQKXMGFSFN-UHFFFAOYSA-N 2 2 237.391 3.175 20 30 BGEDLP C=CCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189913892 166267088 /nfs/dbraw/zinc/26/70/88/166267088.db2.gz RDKVVRWVSHYJOW-ZDUSSCGKSA-N 2 2 241.338 3.099 20 30 BGEDLP C=CCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189913910 166266142 /nfs/dbraw/zinc/26/61/42/166266142.db2.gz RDKVVRWVSHYJOW-CYBMUJFWSA-N 2 2 241.338 3.099 20 30 BGEDLP C=CCCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000193374481 353587183 /nfs/dbraw/zinc/58/71/83/353587183.db2.gz KFXIUNLWKWVMJP-UHFFFAOYSA-N 2 2 247.386 3.266 20 30 BGEDLP C=C1CC[NH+](CC[C@H](C)[NH+]2CCC(=C)CC2)CC1 ZINC000269329339 538920130 /nfs/dbraw/zinc/92/01/30/538920130.db2.gz QTCUXSDJTBWYPA-INIZCTEOSA-N 2 2 248.414 3.069 20 30 BGEDLP C=C1CC[NH+](CC[C@@H](C)[NH+]2CCC(=C)CC2)CC1 ZINC000269329340 538919906 /nfs/dbraw/zinc/91/99/06/538919906.db2.gz QTCUXSDJTBWYPA-MRXNPFEDSA-N 2 2 248.414 3.069 20 30 BGEDLP C=CCCCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000274418045 387476065 /nfs/dbraw/zinc/47/60/65/387476065.db2.gz GDWAWXUOPSFWOG-UHFFFAOYSA-N 2 2 243.354 3.089 20 30 BGEDLP C=CCCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000278328331 387551696 /nfs/dbraw/zinc/55/16/96/387551696.db2.gz DFFAVLHTQUWKOW-UHFFFAOYSA-N 2 2 247.386 3.336 20 30 BGEDLP C=CCCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278514295 387542391 /nfs/dbraw/zinc/54/23/91/387542391.db2.gz NPKNPFRCGGZGEE-AWEZNQCLSA-N 2 2 247.386 3.336 20 30 BGEDLP C=CCCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278514295 387542386 /nfs/dbraw/zinc/54/23/86/387542386.db2.gz NPKNPFRCGGZGEE-AWEZNQCLSA-N 2 2 247.386 3.336 20 30 BGEDLP C=CCCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278514296 387543589 /nfs/dbraw/zinc/54/35/89/387543589.db2.gz NPKNPFRCGGZGEE-CQSZACIVSA-N 2 2 247.386 3.336 20 30 BGEDLP C=CCCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278514296 387543586 /nfs/dbraw/zinc/54/35/86/387543586.db2.gz NPKNPFRCGGZGEE-CQSZACIVSA-N 2 2 247.386 3.336 20 30 BGEDLP C=CC[C@@H](CC)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000281430079 353447410 /nfs/dbraw/zinc/44/74/10/353447410.db2.gz RLZWQEOKZMIBHG-CYBMUJFWSA-N 2 2 243.354 3.087 20 30 BGEDLP C=CC[C@H](CC)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000281430082 353447660 /nfs/dbraw/zinc/44/76/60/353447660.db2.gz RLZWQEOKZMIBHG-ZDUSSCGKSA-N 2 2 243.354 3.087 20 30 BGEDLP C=C(C)C[N@@H+](CC)CCCc1c[nH+]ccc1C ZINC000289193510 353619962 /nfs/dbraw/zinc/61/99/62/353619962.db2.gz UQEPZLZRKOKVLD-UHFFFAOYSA-N 2 2 232.371 3.221 20 30 BGEDLP C=C(C)C[N@H+](CC)CCCc1c[nH+]ccc1C ZINC000289193510 353619961 /nfs/dbraw/zinc/61/99/61/353619961.db2.gz UQEPZLZRKOKVLD-UHFFFAOYSA-N 2 2 232.371 3.221 20 30 BGEDLP C=CCCCC[NH2+]CCCc1c[nH+]ccc1C ZINC000289512773 353630318 /nfs/dbraw/zinc/63/03/18/353630318.db2.gz DGUTTXOLIHFMOW-UHFFFAOYSA-N 2 2 232.371 3.269 20 30 BGEDLP C=CCCC[N@H+](C)CCCc1c[nH+]ccc1C ZINC000289588596 353633598 /nfs/dbraw/zinc/63/35/98/353633598.db2.gz HUGFEYNMSQZQMP-UHFFFAOYSA-N 2 2 232.371 3.221 20 30 BGEDLP C=CCCC[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000289588596 353633596 /nfs/dbraw/zinc/63/35/96/353633596.db2.gz HUGFEYNMSQZQMP-UHFFFAOYSA-N 2 2 232.371 3.221 20 30 BGEDLP C=CC[C@H](CC)[NH2+]CCCc1c[nH+]ccc1C ZINC000289601667 353622658 /nfs/dbraw/zinc/62/26/58/353622658.db2.gz IZZJTESHFLKJPY-HNNXBMFYSA-N 2 2 232.371 3.267 20 30 BGEDLP C=CC[C@@H](CC)[NH2+]CCCc1c[nH+]ccc1C ZINC000289601671 353623278 /nfs/dbraw/zinc/62/32/78/353623278.db2.gz IZZJTESHFLKJPY-OAHLLOKOSA-N 2 2 232.371 3.267 20 30 BGEDLP C=CCC(C)(C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000293024692 534553835 /nfs/dbraw/zinc/55/38/35/534553835.db2.gz QYPBBPCXGHCKAV-UHFFFAOYSA-N 2 2 243.354 3.026 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000309563007 632533614 /nfs/dbraw/zinc/53/36/14/632533614.db2.gz LNRAHKBHCKOORS-KBPBESRZSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000309563011 633200514 /nfs/dbraw/zinc/20/05/14/633200514.db2.gz LNRAHKBHCKOORS-KGLIPLIRSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000309601660 632581289 /nfs/dbraw/zinc/58/12/89/632581289.db2.gz XUJWYECIAYGLNV-KBPBESRZSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000309601666 633968621 /nfs/dbraw/zinc/96/86/21/633968621.db2.gz XUJWYECIAYGLNV-KGLIPLIRSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000309601673 633210257 /nfs/dbraw/zinc/21/02/57/633210257.db2.gz XUJWYECIAYGLNV-UONOGXRCSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000309601680 633970097 /nfs/dbraw/zinc/97/00/97/633970097.db2.gz XUJWYECIAYGLNV-ZIAGYGMSSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340816572 135229997 /nfs/dbraw/zinc/22/99/97/135229997.db2.gz ZQQWJNFJPXBDSJ-UONOGXRCSA-N 2 2 247.386 3.334 20 30 BGEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340816572 135229996 /nfs/dbraw/zinc/22/99/96/135229996.db2.gz ZQQWJNFJPXBDSJ-UONOGXRCSA-N 2 2 247.386 3.334 20 30 BGEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340816576 135229880 /nfs/dbraw/zinc/22/98/80/135229880.db2.gz ZQQWJNFJPXBDSJ-ZIAGYGMSSA-N 2 2 247.386 3.334 20 30 BGEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000340816576 135229878 /nfs/dbraw/zinc/22/98/78/135229878.db2.gz ZQQWJNFJPXBDSJ-ZIAGYGMSSA-N 2 2 247.386 3.334 20 30 BGEDLP C=CC[C@@H](CC)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000341430119 135238127 /nfs/dbraw/zinc/23/81/27/135238127.db2.gz IUTKJVVZIKTIHB-CYBMUJFWSA-N 2 2 243.354 3.087 20 30 BGEDLP C=CC[C@H](CC)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000341430120 534377683 /nfs/dbraw/zinc/37/76/83/534377683.db2.gz IUTKJVVZIKTIHB-ZDUSSCGKSA-N 2 2 243.354 3.087 20 30 BGEDLP C=CC[C@H](CC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000343613575 353933425 /nfs/dbraw/zinc/93/34/25/353933425.db2.gz NTHHYHMBHUCBKO-HNNXBMFYSA-N 2 2 232.371 3.267 20 30 BGEDLP C=CC[C@@H](CC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000343613576 353933719 /nfs/dbraw/zinc/93/37/19/353933719.db2.gz NTHHYHMBHUCBKO-OAHLLOKOSA-N 2 2 232.371 3.267 20 30 BGEDLP C=CC1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000347803082 136013204 /nfs/dbraw/zinc/01/32/04/136013204.db2.gz DVNYEGMHNGKRMH-UHFFFAOYSA-N 2 2 244.382 3.221 20 30 BGEDLP C=C[C@H]1CCCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000348362678 534695485 /nfs/dbraw/zinc/69/54/85/534695485.db2.gz YOSXLPMSKCEAEE-INIZCTEOSA-N 2 2 244.382 3.363 20 30 BGEDLP C=C[C@H]1CCCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000348362678 534695481 /nfs/dbraw/zinc/69/54/81/534695481.db2.gz YOSXLPMSKCEAEE-INIZCTEOSA-N 2 2 244.382 3.363 20 30 BGEDLP C=C[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000348362679 534559736 /nfs/dbraw/zinc/55/97/36/534559736.db2.gz YOSXLPMSKCEAEE-MRXNPFEDSA-N 2 2 244.382 3.363 20 30 BGEDLP C=C[C@@H]1CCCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000348362679 534559728 /nfs/dbraw/zinc/55/97/28/534559728.db2.gz YOSXLPMSKCEAEE-MRXNPFEDSA-N 2 2 244.382 3.363 20 30 BGEDLP C=CCCCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000349658417 386915690 /nfs/dbraw/zinc/91/56/90/386915690.db2.gz ZVQWNQPHBWYQTA-UHFFFAOYSA-N 2 2 243.354 3.089 20 30 BGEDLP C=C(C)C[N@@H+](CC)CCCc1ccc(C)[nH+]c1 ZINC000353366295 533505406 /nfs/dbraw/zinc/50/54/06/533505406.db2.gz XNPQBQASICSFDI-UHFFFAOYSA-N 2 2 232.371 3.221 20 30 BGEDLP C=C(C)C[N@H+](CC)CCCc1ccc(C)[nH+]c1 ZINC000353366295 533505399 /nfs/dbraw/zinc/50/53/99/533505399.db2.gz XNPQBQASICSFDI-UHFFFAOYSA-N 2 2 232.371 3.221 20 30 BGEDLP C=CC1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000353646194 135225530 /nfs/dbraw/zinc/22/55/30/135225530.db2.gz CDLGQBKPYIXGDL-UHFFFAOYSA-N 2 2 244.382 3.221 20 30 BGEDLP C=CCCC[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353661100 534706405 /nfs/dbraw/zinc/70/64/05/534706405.db2.gz ODCFRMSEOGUFMG-UHFFFAOYSA-N 2 2 232.371 3.221 20 30 BGEDLP C=CCCC[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353661100 534706402 /nfs/dbraw/zinc/70/64/02/534706402.db2.gz ODCFRMSEOGUFMG-UHFFFAOYSA-N 2 2 232.371 3.221 20 30 BGEDLP C=CCCCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354660947 534690497 /nfs/dbraw/zinc/69/04/97/534690497.db2.gz WCLKZFFXTHDGNT-UHFFFAOYSA-N 2 2 232.371 3.269 20 30 BGEDLP C=CCCC[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000359517913 387115094 /nfs/dbraw/zinc/11/50/94/387115094.db2.gz YSCQACYKSVXMJR-CYBMUJFWSA-N 2 2 247.386 3.334 20 30 BGEDLP C=CCCC[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000359517914 387116338 /nfs/dbraw/zinc/11/63/38/387116338.db2.gz YSCQACYKSVXMJR-ZDUSSCGKSA-N 2 2 247.386 3.334 20 30 BGEDLP C=CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000363449136 134399228 /nfs/dbraw/zinc/39/92/28/134399228.db2.gz JHQMLADLNXWICY-AWEZNQCLSA-N 2 2 247.386 3.220 20 30 BGEDLP C=CCC[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000363449136 134399227 /nfs/dbraw/zinc/39/92/27/134399227.db2.gz JHQMLADLNXWICY-AWEZNQCLSA-N 2 2 247.386 3.220 20 30 BGEDLP C=CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000363449137 134399766 /nfs/dbraw/zinc/39/97/66/134399766.db2.gz JHQMLADLNXWICY-CQSZACIVSA-N 2 2 247.386 3.220 20 30 BGEDLP C=CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000363449137 134399764 /nfs/dbraw/zinc/39/97/64/134399764.db2.gz JHQMLADLNXWICY-CQSZACIVSA-N 2 2 247.386 3.220 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367436880 134215509 /nfs/dbraw/zinc/21/55/09/134215509.db2.gz HPACTUSJJRUHPW-CYBMUJFWSA-N 2 2 247.386 3.054 20 30 BGEDLP C=CCC[C@H](CC)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367436883 134215488 /nfs/dbraw/zinc/21/54/88/134215488.db2.gz HPACTUSJJRUHPW-ZDUSSCGKSA-N 2 2 247.386 3.054 20 30 BGEDLP C=C(C)C[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000369057555 134221543 /nfs/dbraw/zinc/22/15/43/134221543.db2.gz VTYCYSCRYBGIIQ-AWEZNQCLSA-N 2 2 247.386 3.220 20 30 BGEDLP C=C(C)C[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000369057555 134221542 /nfs/dbraw/zinc/22/15/42/134221542.db2.gz VTYCYSCRYBGIIQ-AWEZNQCLSA-N 2 2 247.386 3.220 20 30 BGEDLP C=C(C)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000369057561 134221652 /nfs/dbraw/zinc/22/16/52/134221652.db2.gz VTYCYSCRYBGIIQ-CQSZACIVSA-N 2 2 247.386 3.220 20 30 BGEDLP C=C(C)C[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000369057561 134221651 /nfs/dbraw/zinc/22/16/51/134221651.db2.gz VTYCYSCRYBGIIQ-CQSZACIVSA-N 2 2 247.386 3.220 20 30 BGEDLP C=CCCCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373233687 134234014 /nfs/dbraw/zinc/23/40/14/134234014.db2.gz TWGFCKSBDGTRIZ-UHFFFAOYSA-N 2 2 247.386 3.336 20 30 BGEDLP C=C(C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000377722937 134244828 /nfs/dbraw/zinc/24/48/28/134244828.db2.gz RICCFODZTAFDLG-AWEZNQCLSA-N 2 2 247.386 3.047 20 30 BGEDLP C=C(C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000377722937 134244827 /nfs/dbraw/zinc/24/48/27/134244827.db2.gz RICCFODZTAFDLG-AWEZNQCLSA-N 2 2 247.386 3.047 20 30 BGEDLP C=C(C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000377722938 134244811 /nfs/dbraw/zinc/24/48/11/134244811.db2.gz RICCFODZTAFDLG-CQSZACIVSA-N 2 2 247.386 3.047 20 30 BGEDLP C=C(C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000377722938 134244810 /nfs/dbraw/zinc/24/48/10/134244810.db2.gz RICCFODZTAFDLG-CQSZACIVSA-N 2 2 247.386 3.047 20 30 BGEDLP C=CCCCCC[N@H+](C)CC[NH2+]C(C)(C)C ZINC000414694843 386194688 /nfs/dbraw/zinc/19/46/88/386194688.db2.gz GFJGAVANXIRRLK-UHFFFAOYSA-N 2 2 226.408 3.053 20 30 BGEDLP C=CCCCCC[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000414694843 386194684 /nfs/dbraw/zinc/19/46/84/386194684.db2.gz GFJGAVANXIRRLK-UHFFFAOYSA-N 2 2 226.408 3.053 20 30 BGEDLP C=CCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000415044192 386529257 /nfs/dbraw/zinc/52/92/57/386529257.db2.gz BKOOQVAGGCUQLP-BBRMVZONSA-N 2 2 246.398 3.193 20 30 BGEDLP C=CCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000415044194 386529721 /nfs/dbraw/zinc/52/97/21/386529721.db2.gz BKOOQVAGGCUQLP-CJNGLKHVSA-N 2 2 246.398 3.193 20 30 BGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000415044196 386530334 /nfs/dbraw/zinc/53/03/34/386530334.db2.gz BKOOQVAGGCUQLP-CZUORRHYSA-N 2 2 246.398 3.193 20 30 BGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000415044198 386529954 /nfs/dbraw/zinc/52/99/54/386529954.db2.gz BKOOQVAGGCUQLP-XJKSGUPXSA-N 2 2 246.398 3.193 20 30 BGEDLP C=CCC[C@@H](CCC)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423232691 388017600 /nfs/dbraw/zinc/01/76/00/388017600.db2.gz CORSWGDXUCSZEN-CVEARBPZSA-N 2 2 246.398 3.411 20 30 BGEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423232692 388017145 /nfs/dbraw/zinc/01/71/45/388017145.db2.gz CORSWGDXUCSZEN-HOTGVXAUSA-N 2 2 246.398 3.411 20 30 BGEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423232693 388017408 /nfs/dbraw/zinc/01/74/08/388017408.db2.gz CORSWGDXUCSZEN-HZPDHXFCSA-N 2 2 246.398 3.411 20 30 BGEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423232694 388017611 /nfs/dbraw/zinc/01/76/11/388017611.db2.gz CORSWGDXUCSZEN-JKSUJKDBSA-N 2 2 246.398 3.411 20 30 BGEDLP C=CCC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000423246103 388030586 /nfs/dbraw/zinc/03/05/86/388030586.db2.gz PFXZUHHJOSFAER-CVEARBPZSA-N 2 2 244.382 3.021 20 30 BGEDLP C=CCC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000423246104 388030608 /nfs/dbraw/zinc/03/06/08/388030608.db2.gz PFXZUHHJOSFAER-HOTGVXAUSA-N 2 2 244.382 3.021 20 30 BGEDLP C=CCC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000423246105 388029770 /nfs/dbraw/zinc/02/97/70/388029770.db2.gz PFXZUHHJOSFAER-HZPDHXFCSA-N 2 2 244.382 3.021 20 30 BGEDLP C=CCC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000423246106 388030811 /nfs/dbraw/zinc/03/08/11/388030811.db2.gz PFXZUHHJOSFAER-JKSUJKDBSA-N 2 2 244.382 3.021 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423250739 388033914 /nfs/dbraw/zinc/03/39/14/388033914.db2.gz VDHLENVDEXEPAF-CABCVRRESA-N 2 2 232.371 3.021 20 30 BGEDLP C=CCC[C@H](CC)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423250740 388033885 /nfs/dbraw/zinc/03/38/85/388033885.db2.gz VDHLENVDEXEPAF-GJZGRUSLSA-N 2 2 232.371 3.021 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423250741 388033654 /nfs/dbraw/zinc/03/36/54/388033654.db2.gz VDHLENVDEXEPAF-HUUCEWRRSA-N 2 2 232.371 3.021 20 30 BGEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423250742 388034501 /nfs/dbraw/zinc/03/45/01/388034501.db2.gz VDHLENVDEXEPAF-LSDHHAIUSA-N 2 2 232.371 3.021 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423254186 388035883 /nfs/dbraw/zinc/03/58/83/388035883.db2.gz XLGHZEITGBDOIC-GDBMZVCRSA-N 2 2 246.398 3.411 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423254187 388035610 /nfs/dbraw/zinc/03/56/10/388035610.db2.gz XLGHZEITGBDOIC-GOEBONIOSA-N 2 2 246.398 3.411 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423254188 388035902 /nfs/dbraw/zinc/03/59/02/388035902.db2.gz XLGHZEITGBDOIC-HOCLYGCPSA-N 2 2 246.398 3.411 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423254189 388035354 /nfs/dbraw/zinc/03/53/54/388035354.db2.gz XLGHZEITGBDOIC-ZBFHGGJFSA-N 2 2 246.398 3.411 20 30 BGEDLP C=CCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000423405536 192746657 /nfs/dbraw/zinc/74/66/57/192746657.db2.gz YBUFLYSHGGJLST-RDBSUJKOSA-N 2 2 248.370 3.146 20 30 BGEDLP C=CCC[C@H](CCC)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437108490 201345782 /nfs/dbraw/zinc/34/57/82/201345782.db2.gz NTDLHXHGPYTWNZ-AWEZNQCLSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@@H](CCC)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437108491 201345382 /nfs/dbraw/zinc/34/53/82/201345382.db2.gz NTDLHXHGPYTWNZ-CQSZACIVSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000446838031 388040852 /nfs/dbraw/zinc/04/08/52/388040852.db2.gz DFXRVRJIAMJHLR-AWEZNQCLSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000446838031 388040847 /nfs/dbraw/zinc/04/08/47/388040847.db2.gz DFXRVRJIAMJHLR-AWEZNQCLSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000446838032 388039981 /nfs/dbraw/zinc/03/99/81/388039981.db2.gz DFXRVRJIAMJHLR-CQSZACIVSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000446838032 388039978 /nfs/dbraw/zinc/03/99/78/388039978.db2.gz DFXRVRJIAMJHLR-CQSZACIVSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448020597 384453507 /nfs/dbraw/zinc/45/35/07/384453507.db2.gz CWTLOGRYGKSFAT-KBPBESRZSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448020597 384453503 /nfs/dbraw/zinc/45/35/03/384453503.db2.gz CWTLOGRYGKSFAT-KBPBESRZSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448020598 384452756 /nfs/dbraw/zinc/45/27/56/384452756.db2.gz CWTLOGRYGKSFAT-KGLIPLIRSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448020598 384452749 /nfs/dbraw/zinc/45/27/49/384452749.db2.gz CWTLOGRYGKSFAT-KGLIPLIRSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448020599 384454173 /nfs/dbraw/zinc/45/41/73/384454173.db2.gz CWTLOGRYGKSFAT-UONOGXRCSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448020599 384454167 /nfs/dbraw/zinc/45/41/67/384454167.db2.gz CWTLOGRYGKSFAT-UONOGXRCSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448020600 384453548 /nfs/dbraw/zinc/45/35/48/384453548.db2.gz CWTLOGRYGKSFAT-ZIAGYGMSSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448020600 384453543 /nfs/dbraw/zinc/45/35/43/384453543.db2.gz CWTLOGRYGKSFAT-ZIAGYGMSSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000449063905 201801031 /nfs/dbraw/zinc/80/10/31/201801031.db2.gz OCVDJIXMEIVDKR-CYBMUJFWSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000449063906 388137531 /nfs/dbraw/zinc/13/75/31/388137531.db2.gz OCVDJIXMEIVDKR-ZDUSSCGKSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000449110109 388143914 /nfs/dbraw/zinc/14/39/14/388143914.db2.gz AVXHYDOACMDZEI-AWEZNQCLSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000449110109 388143911 /nfs/dbraw/zinc/14/39/11/388143911.db2.gz AVXHYDOACMDZEI-AWEZNQCLSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000449110110 388144024 /nfs/dbraw/zinc/14/40/24/388144024.db2.gz AVXHYDOACMDZEI-CQSZACIVSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000449110110 388144022 /nfs/dbraw/zinc/14/40/22/388144022.db2.gz AVXHYDOACMDZEI-CQSZACIVSA-N 2 2 226.408 3.051 20 30 BGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449122361 388145110 /nfs/dbraw/zinc/14/51/10/388145110.db2.gz LAHLTTBDOAADRV-CYBMUJFWSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449122362 201814571 /nfs/dbraw/zinc/81/45/71/201814571.db2.gz LAHLTTBDOAADRV-ZDUSSCGKSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000449134634 388147028 /nfs/dbraw/zinc/14/70/28/388147028.db2.gz KMKZIEOYIZSDPI-KBPBESRZSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000449134634 388147027 /nfs/dbraw/zinc/14/70/27/388147027.db2.gz KMKZIEOYIZSDPI-KBPBESRZSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000449134635 388147070 /nfs/dbraw/zinc/14/70/70/388147070.db2.gz KMKZIEOYIZSDPI-KGLIPLIRSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000449134635 388147066 /nfs/dbraw/zinc/14/70/66/388147066.db2.gz KMKZIEOYIZSDPI-KGLIPLIRSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000449134636 388146696 /nfs/dbraw/zinc/14/66/96/388146696.db2.gz KMKZIEOYIZSDPI-UONOGXRCSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000449134636 388146695 /nfs/dbraw/zinc/14/66/95/388146695.db2.gz KMKZIEOYIZSDPI-UONOGXRCSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000449134637 388146674 /nfs/dbraw/zinc/14/66/74/388146674.db2.gz KMKZIEOYIZSDPI-ZIAGYGMSSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000449134637 388146672 /nfs/dbraw/zinc/14/66/72/388146672.db2.gz KMKZIEOYIZSDPI-ZIAGYGMSSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000449231672 397952392 /nfs/dbraw/zinc/95/23/92/397952392.db2.gz FJZOWMRPSOYWNU-KKUMJFAQSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000449231672 397952389 /nfs/dbraw/zinc/95/23/89/397952389.db2.gz FJZOWMRPSOYWNU-KKUMJFAQSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000449231673 397952280 /nfs/dbraw/zinc/95/22/80/397952280.db2.gz FJZOWMRPSOYWNU-RRFJBIMHSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000449231673 397952275 /nfs/dbraw/zinc/95/22/75/397952275.db2.gz FJZOWMRPSOYWNU-RRFJBIMHSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000449231674 397952498 /nfs/dbraw/zinc/95/24/98/397952498.db2.gz FJZOWMRPSOYWNU-SOUVJXGZSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000449231674 397952495 /nfs/dbraw/zinc/95/24/95/397952495.db2.gz FJZOWMRPSOYWNU-SOUVJXGZSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000449231675 397952269 /nfs/dbraw/zinc/95/22/69/397952269.db2.gz FJZOWMRPSOYWNU-ZNMIVQPWSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000449231675 397952266 /nfs/dbraw/zinc/95/22/66/397952266.db2.gz FJZOWMRPSOYWNU-ZNMIVQPWSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000449262736 397954141 /nfs/dbraw/zinc/95/41/41/397954141.db2.gz FDXIAEYLXGUJQS-AWEZNQCLSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000449262737 397953616 /nfs/dbraw/zinc/95/36/16/397953616.db2.gz FDXIAEYLXGUJQS-CQSZACIVSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CC(C)(C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449484389 388216046 /nfs/dbraw/zinc/21/60/46/388216046.db2.gz GYKQPGWGRZYJFX-UHFFFAOYSA-N 2 2 232.371 3.124 20 30 BGEDLP C=CC(C)(C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000449485043 388216509 /nfs/dbraw/zinc/21/65/09/388216509.db2.gz KLOQYDAEWXYJPK-UHFFFAOYSA-N 2 2 232.371 3.124 20 30 BGEDLP C=CCC1([NH2+]Cc2c[nH+]c(C)n2C)CCCCC1 ZINC000521900855 259557951 /nfs/dbraw/zinc/55/79/51/259557951.db2.gz ZOENDHJKBDFXDL-UHFFFAOYSA-N 2 2 247.386 3.097 20 30 BGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H](C)CC)C(C)C ZINC000532450125 323265351 /nfs/dbraw/zinc/26/53/51/323265351.db2.gz XMMMHERJADBSDW-CABCVRRESA-N 2 2 238.419 3.073 20 30 BGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H](C)CC)C(C)C ZINC000532450127 323265251 /nfs/dbraw/zinc/26/52/51/323265251.db2.gz XMMMHERJADBSDW-GJZGRUSLSA-N 2 2 238.419 3.073 20 30 BGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)CC)C(C)C ZINC000532450128 323264835 /nfs/dbraw/zinc/26/48/35/323264835.db2.gz XMMMHERJADBSDW-HUUCEWRRSA-N 2 2 238.419 3.073 20 30 BGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)CC)C(C)C ZINC000532450129 323265160 /nfs/dbraw/zinc/26/51/60/323265160.db2.gz XMMMHERJADBSDW-LSDHHAIUSA-N 2 2 238.419 3.073 20 30 BGEDLP C=CCC[C@H](CCC)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532530980 323274033 /nfs/dbraw/zinc/27/40/33/323274033.db2.gz ASBTWKANUQMZOD-CABCVRRESA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@H](CCC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532530980 323274030 /nfs/dbraw/zinc/27/40/30/323274030.db2.gz ASBTWKANUQMZOD-CABCVRRESA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@H](CCC)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532530983 323274164 /nfs/dbraw/zinc/27/41/64/323274164.db2.gz ASBTWKANUQMZOD-GJZGRUSLSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@H](CCC)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532530983 323274161 /nfs/dbraw/zinc/27/41/61/323274161.db2.gz ASBTWKANUQMZOD-GJZGRUSLSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@@H](CCC)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532530984 323273992 /nfs/dbraw/zinc/27/39/92/323273992.db2.gz ASBTWKANUQMZOD-HUUCEWRRSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@@H](CCC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532530984 323273988 /nfs/dbraw/zinc/27/39/88/323273988.db2.gz ASBTWKANUQMZOD-HUUCEWRRSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@@H](CCC)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532530985 323274148 /nfs/dbraw/zinc/27/41/48/323274148.db2.gz ASBTWKANUQMZOD-LSDHHAIUSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@@H](CCC)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532530985 323274146 /nfs/dbraw/zinc/27/41/46/323274146.db2.gz ASBTWKANUQMZOD-LSDHHAIUSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000543592818 325095800 /nfs/dbraw/zinc/09/58/00/325095800.db2.gz DCTJMEZTXPYBKH-GXTWGEPZSA-N 2 2 247.386 3.013 20 30 BGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000543592819 325095939 /nfs/dbraw/zinc/09/59/39/325095939.db2.gz DCTJMEZTXPYBKH-JSGCOSHPSA-N 2 2 247.386 3.013 20 30 BGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000543592820 325095772 /nfs/dbraw/zinc/09/57/72/325095772.db2.gz DCTJMEZTXPYBKH-OCCSQVGLSA-N 2 2 247.386 3.013 20 30 BGEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000543592821 325095921 /nfs/dbraw/zinc/09/59/21/325095921.db2.gz DCTJMEZTXPYBKH-TZMCWYRMSA-N 2 2 247.386 3.013 20 30 BGEDLP C=CCC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000547654168 325380107 /nfs/dbraw/zinc/38/01/07/325380107.db2.gz GSOPCCKQTRQTPT-UHFFFAOYSA-N 2 2 238.419 3.149 20 30 BGEDLP C=CCC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000547654168 325380105 /nfs/dbraw/zinc/38/01/05/325380105.db2.gz GSOPCCKQTRQTPT-UHFFFAOYSA-N 2 2 238.419 3.149 20 30 BGEDLP C=CCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000565244853 388932295 /nfs/dbraw/zinc/93/22/95/388932295.db2.gz JJIHSBDIBDAUME-CABCVRRESA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000565244855 325886210 /nfs/dbraw/zinc/88/62/10/325886210.db2.gz JJIHSBDIBDAUME-GJZGRUSLSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000565244857 388931773 /nfs/dbraw/zinc/93/17/73/388931773.db2.gz JJIHSBDIBDAUME-HUUCEWRRSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000565244859 388931899 /nfs/dbraw/zinc/93/18/99/388931899.db2.gz JJIHSBDIBDAUME-LSDHHAIUSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCCCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000566476504 326054358 /nfs/dbraw/zinc/05/43/58/326054358.db2.gz YYEKRPCPBAJLDB-UHFFFAOYSA-N 2 2 243.354 3.170 20 30 BGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C(C)(C)CC)CC1 ZINC000576351755 365575651 /nfs/dbraw/zinc/57/56/51/365575651.db2.gz ZIUREJKAKDWIJC-CYBMUJFWSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)CC)CC1 ZINC000576351756 365574843 /nfs/dbraw/zinc/57/48/43/365574843.db2.gz ZIUREJKAKDWIJC-ZDUSSCGKSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCCCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000583124721 357491788 /nfs/dbraw/zinc/49/17/88/357491788.db2.gz SSWRUQUQRLBEFB-CABCVRRESA-N 2 2 247.386 3.122 20 30 BGEDLP C=CCCCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000583124721 357491781 /nfs/dbraw/zinc/49/17/81/357491781.db2.gz SSWRUQUQRLBEFB-CABCVRRESA-N 2 2 247.386 3.122 20 30 BGEDLP C=CCCCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000583124727 357491966 /nfs/dbraw/zinc/49/19/66/357491966.db2.gz SSWRUQUQRLBEFB-GJZGRUSLSA-N 2 2 247.386 3.122 20 30 BGEDLP C=CCCCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000583124727 357491963 /nfs/dbraw/zinc/49/19/63/357491963.db2.gz SSWRUQUQRLBEFB-GJZGRUSLSA-N 2 2 247.386 3.122 20 30 BGEDLP C=CCCCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000583124729 357491729 /nfs/dbraw/zinc/49/17/29/357491729.db2.gz SSWRUQUQRLBEFB-HUUCEWRRSA-N 2 2 247.386 3.122 20 30 BGEDLP C=CCCCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000583124729 357491727 /nfs/dbraw/zinc/49/17/27/357491727.db2.gz SSWRUQUQRLBEFB-HUUCEWRRSA-N 2 2 247.386 3.122 20 30 BGEDLP C=CCCCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000583124730 357492057 /nfs/dbraw/zinc/49/20/57/357492057.db2.gz SSWRUQUQRLBEFB-LSDHHAIUSA-N 2 2 247.386 3.122 20 30 BGEDLP C=CCCCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000583124730 357492052 /nfs/dbraw/zinc/49/20/52/357492052.db2.gz SSWRUQUQRLBEFB-LSDHHAIUSA-N 2 2 247.386 3.122 20 30 BGEDLP C=CC(C)(C)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000623592884 363027855 /nfs/dbraw/zinc/02/78/55/363027855.db2.gz HAZVGLPYXVWEKK-UHFFFAOYSA-N 2 2 243.354 3.026 20 30 BGEDLP C=CCC1([NH2+]CCCn2cc[nH+]c2)CCCCC1 ZINC000625935209 344572086 /nfs/dbraw/zinc/57/20/86/344572086.db2.gz RBOLCPVJKWWHJY-UHFFFAOYSA-N 2 2 247.386 3.142 20 30 BGEDLP C=CC[C@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000628406644 357202402 /nfs/dbraw/zinc/20/24/02/357202402.db2.gz NNDCSHAQMQCNRY-INIZCTEOSA-N 2 2 244.382 3.221 20 30 BGEDLP C=CC[C@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000628406644 357202398 /nfs/dbraw/zinc/20/23/98/357202398.db2.gz NNDCSHAQMQCNRY-INIZCTEOSA-N 2 2 244.382 3.221 20 30 BGEDLP C=CC[C@@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000628406645 357202312 /nfs/dbraw/zinc/20/23/12/357202312.db2.gz NNDCSHAQMQCNRY-MRXNPFEDSA-N 2 2 244.382 3.221 20 30 BGEDLP C=CC[C@@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000628406645 357202310 /nfs/dbraw/zinc/20/23/10/357202310.db2.gz NNDCSHAQMQCNRY-MRXNPFEDSA-N 2 2 244.382 3.221 20 30 BGEDLP C=CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccco1 ZINC000629542582 361419361 /nfs/dbraw/zinc/41/93/61/361419361.db2.gz GJDCOCSBVTZXSZ-IHRRRGAJSA-N 2 2 248.370 3.017 20 30 BGEDLP C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccco1 ZINC000629542583 361419503 /nfs/dbraw/zinc/41/95/03/361419503.db2.gz GJDCOCSBVTZXSZ-MCIONIFRSA-N 2 2 248.370 3.017 20 30 BGEDLP C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccco1 ZINC000629542584 361419599 /nfs/dbraw/zinc/41/95/99/361419599.db2.gz GJDCOCSBVTZXSZ-MJBXVCDLSA-N 2 2 248.370 3.017 20 30 BGEDLP C=CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccco1 ZINC000629542585 361419406 /nfs/dbraw/zinc/41/94/06/361419406.db2.gz GJDCOCSBVTZXSZ-RDBSUJKOSA-N 2 2 248.370 3.017 20 30 BGEDLP C=CC[NH+](CC=C)Cc1c(C)cc(C)[nH+]c1C ZINC000639449960 356233476 /nfs/dbraw/zinc/23/34/76/356233476.db2.gz FKEKONUZODIJFW-UHFFFAOYSA-N 2 2 230.355 3.181 20 30 BGEDLP C=CC[N@H+](Cc1c(C)cc(C)[nH+]c1C)C1CC1 ZINC000639559117 356464949 /nfs/dbraw/zinc/46/49/49/356464949.db2.gz LYFUTLSTYNMCHH-UHFFFAOYSA-N 2 2 230.355 3.157 20 30 BGEDLP C=CC[N@@H+](Cc1c(C)cc(C)[nH+]c1C)C1CC1 ZINC000639559117 356464945 /nfs/dbraw/zinc/46/49/45/356464945.db2.gz LYFUTLSTYNMCHH-UHFFFAOYSA-N 2 2 230.355 3.157 20 30 BGEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000643502225 387362624 /nfs/dbraw/zinc/36/26/24/387362624.db2.gz AHRQLOHQABVDJU-KBPBESRZSA-N 2 2 248.370 3.019 20 30 BGEDLP C=CCC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000643502226 387362931 /nfs/dbraw/zinc/36/29/31/387362931.db2.gz AHRQLOHQABVDJU-KGLIPLIRSA-N 2 2 248.370 3.019 20 30 BGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000643502227 387363238 /nfs/dbraw/zinc/36/32/38/387363238.db2.gz AHRQLOHQABVDJU-UONOGXRCSA-N 2 2 248.370 3.019 20 30 BGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000643502228 387362909 /nfs/dbraw/zinc/36/29/09/387362909.db2.gz AHRQLOHQABVDJU-ZIAGYGMSSA-N 2 2 248.370 3.019 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000648499188 387475755 /nfs/dbraw/zinc/47/57/55/387475755.db2.gz MIGPAZYEKAYARX-CABCVRRESA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000648499188 387475748 /nfs/dbraw/zinc/47/57/48/387475748.db2.gz MIGPAZYEKAYARX-CABCVRRESA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000648499189 387474094 /nfs/dbraw/zinc/47/40/94/387474094.db2.gz MIGPAZYEKAYARX-GJZGRUSLSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000648499189 387474087 /nfs/dbraw/zinc/47/40/87/387474087.db2.gz MIGPAZYEKAYARX-GJZGRUSLSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000648499190 387474768 /nfs/dbraw/zinc/47/47/68/387474768.db2.gz MIGPAZYEKAYARX-HUUCEWRRSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000648499190 387474764 /nfs/dbraw/zinc/47/47/64/387474764.db2.gz MIGPAZYEKAYARX-HUUCEWRRSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000648499191 387475168 /nfs/dbraw/zinc/47/51/68/387475168.db2.gz MIGPAZYEKAYARX-LSDHHAIUSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000648499191 387475163 /nfs/dbraw/zinc/47/51/63/387475163.db2.gz MIGPAZYEKAYARX-LSDHHAIUSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000651742136 411140520 /nfs/dbraw/zinc/14/05/20/411140520.db2.gz FCIQUKPTHAMEAE-GDBMZVCRSA-N 2 2 244.382 3.267 20 30 BGEDLP C=CC[C@H]1CC[C@@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000651742137 411140553 /nfs/dbraw/zinc/14/05/53/411140553.db2.gz FCIQUKPTHAMEAE-GOEBONIOSA-N 2 2 244.382 3.267 20 30 BGEDLP C=CC[C@H]1CC[C@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000651742138 411140543 /nfs/dbraw/zinc/14/05/43/411140543.db2.gz FCIQUKPTHAMEAE-HOCLYGCPSA-N 2 2 244.382 3.267 20 30 BGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000651742139 411140567 /nfs/dbraw/zinc/14/05/67/411140567.db2.gz FCIQUKPTHAMEAE-ZBFHGGJFSA-N 2 2 244.382 3.267 20 30 BGEDLP C=CCCC(C)(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657805913 411600192 /nfs/dbraw/zinc/60/01/92/411600192.db2.gz XACMWWSDQAWAAA-UHFFFAOYSA-N 2 2 243.354 3.169 20 30 BGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000657862597 488156003 /nfs/dbraw/zinc/15/60/03/488156003.db2.gz BMZBQJNOGDGJJK-CABCVRRESA-N 2 2 238.419 3.051 20 30 BGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000657862597 488156001 /nfs/dbraw/zinc/15/60/01/488156001.db2.gz BMZBQJNOGDGJJK-CABCVRRESA-N 2 2 238.419 3.051 20 30 BGEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000657862600 488155762 /nfs/dbraw/zinc/15/57/62/488155762.db2.gz BMZBQJNOGDGJJK-GJZGRUSLSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000657862600 488155760 /nfs/dbraw/zinc/15/57/60/488155760.db2.gz BMZBQJNOGDGJJK-GJZGRUSLSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000657862602 488155993 /nfs/dbraw/zinc/15/59/93/488155993.db2.gz BMZBQJNOGDGJJK-HUUCEWRRSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000657862602 488155989 /nfs/dbraw/zinc/15/59/89/488155989.db2.gz BMZBQJNOGDGJJK-HUUCEWRRSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000657862603 488155821 /nfs/dbraw/zinc/15/58/21/488155821.db2.gz BMZBQJNOGDGJJK-LSDHHAIUSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000657862603 488155819 /nfs/dbraw/zinc/15/58/19/488155819.db2.gz BMZBQJNOGDGJJK-LSDHHAIUSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056874 411222571 /nfs/dbraw/zinc/22/25/71/411222571.db2.gz MJJMBIXFUGKXEP-KBPBESRZSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056874 411222569 /nfs/dbraw/zinc/22/25/69/411222569.db2.gz MJJMBIXFUGKXEP-KBPBESRZSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056875 411222878 /nfs/dbraw/zinc/22/28/78/411222878.db2.gz MJJMBIXFUGKXEP-KGLIPLIRSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056875 411222874 /nfs/dbraw/zinc/22/28/74/411222874.db2.gz MJJMBIXFUGKXEP-KGLIPLIRSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056878 411222662 /nfs/dbraw/zinc/22/26/62/411222662.db2.gz MJJMBIXFUGKXEP-UONOGXRCSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056878 411222659 /nfs/dbraw/zinc/22/26/59/411222659.db2.gz MJJMBIXFUGKXEP-UONOGXRCSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056881 411222621 /nfs/dbraw/zinc/22/26/21/411222621.db2.gz MJJMBIXFUGKXEP-ZIAGYGMSSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056881 411222620 /nfs/dbraw/zinc/22/26/20/411222620.db2.gz MJJMBIXFUGKXEP-ZIAGYGMSSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056884 411222500 /nfs/dbraw/zinc/22/25/00/411222500.db2.gz MLPPEFPMMWJJGF-BFHYXJOUSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056884 411222498 /nfs/dbraw/zinc/22/24/98/411222498.db2.gz MLPPEFPMMWJJGF-BFHYXJOUSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056886 411222201 /nfs/dbraw/zinc/22/22/01/411222201.db2.gz MLPPEFPMMWJJGF-IHRRRGAJSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056886 411222199 /nfs/dbraw/zinc/22/21/99/411222199.db2.gz MLPPEFPMMWJJGF-IHRRRGAJSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056888 411222448 /nfs/dbraw/zinc/22/24/48/411222448.db2.gz MLPPEFPMMWJJGF-MELADBBJSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056888 411222446 /nfs/dbraw/zinc/22/24/46/411222446.db2.gz MLPPEFPMMWJJGF-MELADBBJSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056891 411222411 /nfs/dbraw/zinc/22/24/11/411222411.db2.gz MLPPEFPMMWJJGF-MJBXVCDLSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056891 411222410 /nfs/dbraw/zinc/22/24/10/411222410.db2.gz MLPPEFPMMWJJGF-MJBXVCDLSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090047 411240342 /nfs/dbraw/zinc/24/03/42/411240342.db2.gz DAHKMCYLTDQQKV-BFHYXJOUSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090047 411240341 /nfs/dbraw/zinc/24/03/41/411240341.db2.gz DAHKMCYLTDQQKV-BFHYXJOUSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090049 411241225 /nfs/dbraw/zinc/24/12/25/411241225.db2.gz DAHKMCYLTDQQKV-IHRRRGAJSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090049 411241221 /nfs/dbraw/zinc/24/12/21/411241221.db2.gz DAHKMCYLTDQQKV-IHRRRGAJSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090051 411241386 /nfs/dbraw/zinc/24/13/86/411241386.db2.gz DAHKMCYLTDQQKV-MELADBBJSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090051 411241383 /nfs/dbraw/zinc/24/13/83/411241383.db2.gz DAHKMCYLTDQQKV-MELADBBJSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090053 411241172 /nfs/dbraw/zinc/24/11/72/411241172.db2.gz DAHKMCYLTDQQKV-MJBXVCDLSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090053 411241168 /nfs/dbraw/zinc/24/11/68/411241168.db2.gz DAHKMCYLTDQQKV-MJBXVCDLSA-N 2 2 238.419 3.050 20 30 BGEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090329 411240510 /nfs/dbraw/zinc/24/05/10/411240510.db2.gz GHYVJYDXBFZUOK-KBPBESRZSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090329 411240508 /nfs/dbraw/zinc/24/05/08/411240508.db2.gz GHYVJYDXBFZUOK-KBPBESRZSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090330 411241130 /nfs/dbraw/zinc/24/11/30/411241130.db2.gz GHYVJYDXBFZUOK-KGLIPLIRSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090330 411241126 /nfs/dbraw/zinc/24/11/26/411241126.db2.gz GHYVJYDXBFZUOK-KGLIPLIRSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090331 411240712 /nfs/dbraw/zinc/24/07/12/411240712.db2.gz GHYVJYDXBFZUOK-UONOGXRCSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090331 411240709 /nfs/dbraw/zinc/24/07/09/411240709.db2.gz GHYVJYDXBFZUOK-UONOGXRCSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090332 411240843 /nfs/dbraw/zinc/24/08/43/411240843.db2.gz GHYVJYDXBFZUOK-ZIAGYGMSSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090332 411240841 /nfs/dbraw/zinc/24/08/41/411240841.db2.gz GHYVJYDXBFZUOK-ZIAGYGMSSA-N 2 2 238.419 3.194 20 30 BGEDLP C=CCC[C@@H](CCC)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000658288791 487577891 /nfs/dbraw/zinc/57/78/91/487577891.db2.gz ZTJUBIWBMAAEPJ-CABCVRRESA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@@H](CCC)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000658288791 487577886 /nfs/dbraw/zinc/57/78/86/487577886.db2.gz ZTJUBIWBMAAEPJ-CABCVRRESA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000658288792 487577687 /nfs/dbraw/zinc/57/76/87/487577687.db2.gz ZTJUBIWBMAAEPJ-GJZGRUSLSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000658288792 487577683 /nfs/dbraw/zinc/57/76/83/487577683.db2.gz ZTJUBIWBMAAEPJ-GJZGRUSLSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@@H](CCC)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000658288793 487577646 /nfs/dbraw/zinc/57/76/46/487577646.db2.gz ZTJUBIWBMAAEPJ-HUUCEWRRSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@@H](CCC)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000658288793 487577643 /nfs/dbraw/zinc/57/76/43/487577643.db2.gz ZTJUBIWBMAAEPJ-HUUCEWRRSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000658288794 487577611 /nfs/dbraw/zinc/57/76/11/487577611.db2.gz ZTJUBIWBMAAEPJ-LSDHHAIUSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000658288794 487577609 /nfs/dbraw/zinc/57/76/09/487577609.db2.gz ZTJUBIWBMAAEPJ-LSDHHAIUSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCC1([NH2+]CCc2cc[nH+]cc2C)CCCC1 ZINC000661849887 411900815 /nfs/dbraw/zinc/90/08/15/411900815.db2.gz CMNUSYVGIVRGSW-UHFFFAOYSA-N 2 2 244.382 3.411 20 30 BGEDLP C=CCC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccco1 ZINC000665246900 412191600 /nfs/dbraw/zinc/19/16/00/412191600.db2.gz QUKVSGNLJLQMKS-CYBMUJFWSA-N 2 2 248.370 3.148 20 30 BGEDLP C=CCC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccco1 ZINC000665246901 412191430 /nfs/dbraw/zinc/19/14/30/412191430.db2.gz QUKVSGNLJLQMKS-ZDUSSCGKSA-N 2 2 248.370 3.148 20 30 BGEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000675743745 487773808 /nfs/dbraw/zinc/77/38/08/487773808.db2.gz PUELATSONMQNAY-RRFJBIMHSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000675743746 487773511 /nfs/dbraw/zinc/77/35/11/487773511.db2.gz PUELATSONMQNAY-ZNMIVQPWSA-N 2 2 238.419 3.051 20 30 BGEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678715575 488277391 /nfs/dbraw/zinc/27/73/91/488277391.db2.gz YITPKGYWPRUVQB-CABCVRRESA-N 2 2 247.386 3.265 20 30 BGEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678715575 488277388 /nfs/dbraw/zinc/27/73/88/488277388.db2.gz YITPKGYWPRUVQB-CABCVRRESA-N 2 2 247.386 3.265 20 30 BGEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678715576 488277401 /nfs/dbraw/zinc/27/74/01/488277401.db2.gz YITPKGYWPRUVQB-GJZGRUSLSA-N 2 2 247.386 3.265 20 30 BGEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678715576 488277398 /nfs/dbraw/zinc/27/73/98/488277398.db2.gz YITPKGYWPRUVQB-GJZGRUSLSA-N 2 2 247.386 3.265 20 30 BGEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678715577 488277893 /nfs/dbraw/zinc/27/78/93/488277893.db2.gz YITPKGYWPRUVQB-HUUCEWRRSA-N 2 2 247.386 3.265 20 30 BGEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678715577 488277889 /nfs/dbraw/zinc/27/78/89/488277889.db2.gz YITPKGYWPRUVQB-HUUCEWRRSA-N 2 2 247.386 3.265 20 30 BGEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678715578 488277657 /nfs/dbraw/zinc/27/76/57/488277657.db2.gz YITPKGYWPRUVQB-LSDHHAIUSA-N 2 2 247.386 3.265 20 30 BGEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678715578 488277654 /nfs/dbraw/zinc/27/76/54/488277654.db2.gz YITPKGYWPRUVQB-LSDHHAIUSA-N 2 2 247.386 3.265 20 30 BGEDLP C=CCCC[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000678717730 488278559 /nfs/dbraw/zinc/27/85/59/488278559.db2.gz HIQFMXSIGUDYFB-CYBMUJFWSA-N 2 2 247.386 3.334 20 30 BGEDLP C=CCCC[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000678717731 488278567 /nfs/dbraw/zinc/27/85/67/488278567.db2.gz HIQFMXSIGUDYFB-ZDUSSCGKSA-N 2 2 247.386 3.334 20 30 BGEDLP C=CCCCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683780447 488219979 /nfs/dbraw/zinc/21/99/79/488219979.db2.gz ILLIOHKGFCKQLZ-HNNXBMFYSA-N 2 2 247.386 3.266 20 30 BGEDLP C=CCCCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683780447 488219976 /nfs/dbraw/zinc/21/99/76/488219976.db2.gz ILLIOHKGFCKQLZ-HNNXBMFYSA-N 2 2 247.386 3.266 20 30 BGEDLP C=CCCCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683780448 488220184 /nfs/dbraw/zinc/22/01/84/488220184.db2.gz ILLIOHKGFCKQLZ-OAHLLOKOSA-N 2 2 247.386 3.266 20 30 BGEDLP C=CCCCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683780448 488220181 /nfs/dbraw/zinc/22/01/81/488220181.db2.gz ILLIOHKGFCKQLZ-OAHLLOKOSA-N 2 2 247.386 3.266 20 30 BGEDLP C=CCCCCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000683783500 488221061 /nfs/dbraw/zinc/22/10/61/488221061.db2.gz MJXLBJGPFUBGBK-HNNXBMFYSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000683783500 488221059 /nfs/dbraw/zinc/22/10/59/488221059.db2.gz MJXLBJGPFUBGBK-HNNXBMFYSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000683783501 488221416 /nfs/dbraw/zinc/22/14/16/488221416.db2.gz MJXLBJGPFUBGBK-OAHLLOKOSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000683783501 488221413 /nfs/dbraw/zinc/22/14/13/488221413.db2.gz MJXLBJGPFUBGBK-OAHLLOKOSA-N 2 2 238.419 3.195 20 30 BGEDLP CCCCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000703744472 712086537 /nfs/dbraw/zinc/08/65/37/712086537.db2.gz QKSAWPRCNZWNEA-KBPBESRZSA-N 2 2 238.419 3.172 20 30 BGEDLP CCCCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000703744472 712086535 /nfs/dbraw/zinc/08/65/35/712086535.db2.gz QKSAWPRCNZWNEA-KBPBESRZSA-N 2 2 238.419 3.172 20 30 BGEDLP CCCCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000703744473 712087082 /nfs/dbraw/zinc/08/70/82/712087082.db2.gz QKSAWPRCNZWNEA-KGLIPLIRSA-N 2 2 238.419 3.172 20 30 BGEDLP CCCCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000703744473 712087080 /nfs/dbraw/zinc/08/70/80/712087080.db2.gz QKSAWPRCNZWNEA-KGLIPLIRSA-N 2 2 238.419 3.172 20 30 BGEDLP CCCCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000703744474 712086745 /nfs/dbraw/zinc/08/67/45/712086745.db2.gz QKSAWPRCNZWNEA-UONOGXRCSA-N 2 2 238.419 3.172 20 30 BGEDLP CCCCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000703744474 712086742 /nfs/dbraw/zinc/08/67/42/712086742.db2.gz QKSAWPRCNZWNEA-UONOGXRCSA-N 2 2 238.419 3.172 20 30 BGEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000703744475 712086978 /nfs/dbraw/zinc/08/69/78/712086978.db2.gz QKSAWPRCNZWNEA-ZIAGYGMSSA-N 2 2 238.419 3.172 20 30 BGEDLP CCCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000703744475 712086977 /nfs/dbraw/zinc/08/69/77/712086977.db2.gz QKSAWPRCNZWNEA-ZIAGYGMSSA-N 2 2 238.419 3.172 20 30 BGEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724779639 711612764 /nfs/dbraw/zinc/61/27/64/711612764.db2.gz ODILRVMCAAKWDN-KBPBESRZSA-N 2 2 247.386 3.251 20 30 BGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724779640 711612602 /nfs/dbraw/zinc/61/26/02/711612602.db2.gz ODILRVMCAAKWDN-KGLIPLIRSA-N 2 2 247.386 3.251 20 30 BGEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724779641 711612391 /nfs/dbraw/zinc/61/23/91/711612391.db2.gz ODILRVMCAAKWDN-UONOGXRCSA-N 2 2 247.386 3.251 20 30 BGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724779642 711613053 /nfs/dbraw/zinc/61/30/53/711613053.db2.gz ODILRVMCAAKWDN-ZIAGYGMSSA-N 2 2 247.386 3.251 20 30 BGEDLP CCCCCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000767117973 585514598 /nfs/dbraw/zinc/51/45/98/585514598.db2.gz VILCSLUJCVJSLB-AWEZNQCLSA-N 2 2 249.402 3.180 20 30 BGEDLP CCCCCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000767117973 585514597 /nfs/dbraw/zinc/51/45/97/585514597.db2.gz VILCSLUJCVJSLB-AWEZNQCLSA-N 2 2 249.402 3.180 20 30 BGEDLP CCCCCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000767117976 585514392 /nfs/dbraw/zinc/51/43/92/585514392.db2.gz VILCSLUJCVJSLB-CQSZACIVSA-N 2 2 249.402 3.180 20 30 BGEDLP CCCCCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000767117976 585514391 /nfs/dbraw/zinc/51/43/91/585514391.db2.gz VILCSLUJCVJSLB-CQSZACIVSA-N 2 2 249.402 3.180 20 30 BGEDLP CCCCCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000769683818 585561680 /nfs/dbraw/zinc/56/16/80/585561680.db2.gz AQMCAANHVKFHHP-UHFFFAOYSA-N 2 2 245.370 3.394 20 30 BGEDLP CCCCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000776746822 585703768 /nfs/dbraw/zinc/70/37/68/585703768.db2.gz HCMVRGDCPHMZHY-DZGCQCFKSA-N 2 2 238.419 3.029 20 30 BGEDLP CCCCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000776746822 585703767 /nfs/dbraw/zinc/70/37/67/585703767.db2.gz HCMVRGDCPHMZHY-DZGCQCFKSA-N 2 2 238.419 3.029 20 30 BGEDLP CCCCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000776746823 585703702 /nfs/dbraw/zinc/70/37/02/585703702.db2.gz HCMVRGDCPHMZHY-HIFRSBDPSA-N 2 2 238.419 3.029 20 30 BGEDLP CCCCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000776746823 585703701 /nfs/dbraw/zinc/70/37/01/585703701.db2.gz HCMVRGDCPHMZHY-HIFRSBDPSA-N 2 2 238.419 3.029 20 30 BGEDLP CCCCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000776746824 585703957 /nfs/dbraw/zinc/70/39/57/585703957.db2.gz HCMVRGDCPHMZHY-UKRRQHHQSA-N 2 2 238.419 3.029 20 30 BGEDLP CCCCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000776746824 585703956 /nfs/dbraw/zinc/70/39/56/585703956.db2.gz HCMVRGDCPHMZHY-UKRRQHHQSA-N 2 2 238.419 3.029 20 30 BGEDLP CCCCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000776746825 585703893 /nfs/dbraw/zinc/70/38/93/585703893.db2.gz HCMVRGDCPHMZHY-ZFWWWQNUSA-N 2 2 238.419 3.029 20 30 BGEDLP CCCCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000776746825 585703892 /nfs/dbraw/zinc/70/38/92/585703892.db2.gz HCMVRGDCPHMZHY-ZFWWWQNUSA-N 2 2 238.419 3.029 20 30 BGEDLP C=C[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787289911 585905132 /nfs/dbraw/zinc/90/51/32/585905132.db2.gz AILBBEXQHCAPBM-CHWSQXEVSA-N 2 2 241.338 3.097 20 30 BGEDLP C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787289915 585905267 /nfs/dbraw/zinc/90/52/67/585905267.db2.gz AILBBEXQHCAPBM-OLZOCXBDSA-N 2 2 241.338 3.097 20 30 BGEDLP C=C[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787289917 585905164 /nfs/dbraw/zinc/90/51/64/585905164.db2.gz AILBBEXQHCAPBM-QWHCGFSZSA-N 2 2 241.338 3.097 20 30 BGEDLP C=C[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787289919 585905190 /nfs/dbraw/zinc/90/51/90/585905190.db2.gz AILBBEXQHCAPBM-STQMWFEESA-N 2 2 241.338 3.097 20 30 BGEDLP C=CC[N@H+](CCCc1ccc(C)[nH+]c1)C(C)C ZINC000792794201 586005316 /nfs/dbraw/zinc/00/53/16/586005316.db2.gz IOKOREVBPABHQF-UHFFFAOYSA-N 2 2 232.371 3.219 20 30 BGEDLP C=CC[N@@H+](CCCc1ccc(C)[nH+]c1)C(C)C ZINC000792794201 586005315 /nfs/dbraw/zinc/00/53/15/586005315.db2.gz IOKOREVBPABHQF-UHFFFAOYSA-N 2 2 232.371 3.219 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000793513511 586021493 /nfs/dbraw/zinc/02/14/93/586021493.db2.gz CJXSTHUINCHKGP-AWEZNQCLSA-N 2 2 240.435 3.441 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000793513524 586021080 /nfs/dbraw/zinc/02/10/80/586021080.db2.gz CJXSTHUINCHKGP-CQSZACIVSA-N 2 2 240.435 3.441 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000793519989 586021374 /nfs/dbraw/zinc/02/13/74/586021374.db2.gz SHHCIBPESPDMOA-HNNXBMFYSA-N 2 2 238.419 3.197 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000793519990 586021449 /nfs/dbraw/zinc/02/14/49/586021449.db2.gz SHHCIBPESPDMOA-OAHLLOKOSA-N 2 2 238.419 3.197 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000793520777 586021475 /nfs/dbraw/zinc/02/14/75/586021475.db2.gz JDKDGKUIIPUQOK-CABCVRRESA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000793520777 586021474 /nfs/dbraw/zinc/02/14/74/586021474.db2.gz JDKDGKUIIPUQOK-CABCVRRESA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000793520780 586021215 /nfs/dbraw/zinc/02/12/15/586021215.db2.gz JDKDGKUIIPUQOK-GJZGRUSLSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000793520780 586021214 /nfs/dbraw/zinc/02/12/14/586021214.db2.gz JDKDGKUIIPUQOK-GJZGRUSLSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000793520781 586021457 /nfs/dbraw/zinc/02/14/57/586021457.db2.gz JDKDGKUIIPUQOK-HUUCEWRRSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000793520781 586021456 /nfs/dbraw/zinc/02/14/56/586021456.db2.gz JDKDGKUIIPUQOK-HUUCEWRRSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000793520784 586021487 /nfs/dbraw/zinc/02/14/87/586021487.db2.gz JDKDGKUIIPUQOK-LSDHHAIUSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000793520784 586021486 /nfs/dbraw/zinc/02/14/86/586021486.db2.gz JDKDGKUIIPUQOK-LSDHHAIUSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000793524843 586021647 /nfs/dbraw/zinc/02/16/47/586021647.db2.gz UTDWLALQCFHBTF-CABCVRRESA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000793524843 586021646 /nfs/dbraw/zinc/02/16/46/586021646.db2.gz UTDWLALQCFHBTF-CABCVRRESA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000793524844 586021743 /nfs/dbraw/zinc/02/17/43/586021743.db2.gz UTDWLALQCFHBTF-GJZGRUSLSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000793524844 586021742 /nfs/dbraw/zinc/02/17/42/586021742.db2.gz UTDWLALQCFHBTF-GJZGRUSLSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000793524845 586021654 /nfs/dbraw/zinc/02/16/54/586021654.db2.gz UTDWLALQCFHBTF-HUUCEWRRSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000793524845 586021653 /nfs/dbraw/zinc/02/16/53/586021653.db2.gz UTDWLALQCFHBTF-HUUCEWRRSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000793524846 586021787 /nfs/dbraw/zinc/02/17/87/586021787.db2.gz UTDWLALQCFHBTF-LSDHHAIUSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000793524846 586021786 /nfs/dbraw/zinc/02/17/86/586021786.db2.gz UTDWLALQCFHBTF-LSDHHAIUSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000793527738 586021821 /nfs/dbraw/zinc/02/18/21/586021821.db2.gz UPYKAVUVRYRHFX-CABCVRRESA-N 2 2 249.402 3.386 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000793527739 586021561 /nfs/dbraw/zinc/02/15/61/586021561.db2.gz UPYKAVUVRYRHFX-GJZGRUSLSA-N 2 2 249.402 3.386 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000793527740 586021590 /nfs/dbraw/zinc/02/15/90/586021590.db2.gz UPYKAVUVRYRHFX-HUUCEWRRSA-N 2 2 249.402 3.386 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000793527741 586021602 /nfs/dbraw/zinc/02/16/02/586021602.db2.gz UPYKAVUVRYRHFX-LSDHHAIUSA-N 2 2 249.402 3.386 20 30 BGEDLP C=CC[N@H+](CCCc1c[nH+]ccc1C)C(C)C ZINC000809547222 586506555 /nfs/dbraw/zinc/50/65/55/586506555.db2.gz NBIJHQGJTFULPI-UHFFFAOYSA-N 2 2 232.371 3.219 20 30 BGEDLP C=CC[N@@H+](CCCc1c[nH+]ccc1C)C(C)C ZINC000809547222 586506554 /nfs/dbraw/zinc/50/65/54/586506554.db2.gz NBIJHQGJTFULPI-UHFFFAOYSA-N 2 2 232.371 3.219 20 30 BGEDLP C=CCCCCCCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000810160751 586536389 /nfs/dbraw/zinc/53/63/89/586536389.db2.gz RTXSRQVINWDOFO-CABCVRRESA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCCCCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000810160751 586536388 /nfs/dbraw/zinc/53/63/88/586536388.db2.gz RTXSRQVINWDOFO-CABCVRRESA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCCCCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000810160752 586536399 /nfs/dbraw/zinc/53/63/99/586536399.db2.gz RTXSRQVINWDOFO-GJZGRUSLSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCCCCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000810160752 586536398 /nfs/dbraw/zinc/53/63/98/586536398.db2.gz RTXSRQVINWDOFO-GJZGRUSLSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCCCCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000810160753 586536129 /nfs/dbraw/zinc/53/61/29/586536129.db2.gz RTXSRQVINWDOFO-HUUCEWRRSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCCCCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000810160753 586536127 /nfs/dbraw/zinc/53/61/27/586536127.db2.gz RTXSRQVINWDOFO-HUUCEWRRSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCCCCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000810160754 586536144 /nfs/dbraw/zinc/53/61/44/586536144.db2.gz RTXSRQVINWDOFO-LSDHHAIUSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCCCCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000810160754 586536142 /nfs/dbraw/zinc/53/61/42/586536142.db2.gz RTXSRQVINWDOFO-LSDHHAIUSA-N 2 2 238.419 3.053 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000839149778 585092468 /nfs/dbraw/zinc/09/24/68/585092468.db2.gz RXSPBUOVCQPUQT-AWEZNQCLSA-N 2 2 249.402 3.077 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000839149780 585092342 /nfs/dbraw/zinc/09/23/42/585092342.db2.gz RXSPBUOVCQPUQT-CQSZACIVSA-N 2 2 249.402 3.077 20 30 BGEDLP C=CCCCCC[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000841763888 587974359 /nfs/dbraw/zinc/97/43/59/587974359.db2.gz RZEQPFZYYBEKDI-AWEZNQCLSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000841763889 587974939 /nfs/dbraw/zinc/97/49/39/587974939.db2.gz RZEQPFZYYBEKDI-CQSZACIVSA-N 2 2 238.419 3.195 20 30 BGEDLP C=CCCCCCCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000850303433 588535508 /nfs/dbraw/zinc/53/55/08/588535508.db2.gz VDFXLFDVANJTOM-UHFFFAOYSA-N 2 2 249.402 3.345 20 30 BGEDLP CCCCCCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000852060437 588658660 /nfs/dbraw/zinc/65/86/60/588658660.db2.gz FLJJQYMJLIHYME-UHFFFAOYSA-N 2 2 235.375 3.059 20 30 BGEDLP CCCCCCCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000852060437 588658659 /nfs/dbraw/zinc/65/86/59/588658659.db2.gz FLJJQYMJLIHYME-UHFFFAOYSA-N 2 2 235.375 3.059 20 30 BGEDLP CCCCCCCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000852066347 588658806 /nfs/dbraw/zinc/65/88/06/588658806.db2.gz PWWGFVRRAFTGDM-UHFFFAOYSA-N 2 2 249.402 3.449 20 30 BGEDLP CCCCCCCCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000852066347 588658805 /nfs/dbraw/zinc/65/88/05/588658805.db2.gz PWWGFVRRAFTGDM-UHFFFAOYSA-N 2 2 249.402 3.449 20 30 BGEDLP CCCCCCCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859306462 589030019 /nfs/dbraw/zinc/03/00/19/589030019.db2.gz XDDHYIILCUQDBF-UHFFFAOYSA-N 2 2 235.375 3.128 20 30 BGEDLP CCCCCCCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859306462 589030017 /nfs/dbraw/zinc/03/00/17/589030017.db2.gz XDDHYIILCUQDBF-UHFFFAOYSA-N 2 2 235.375 3.128 20 30 BGEDLP C=CC[C@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000862440437 589212853 /nfs/dbraw/zinc/21/28/53/589212853.db2.gz HSFCDOPUTLELPP-HNNXBMFYSA-N 2 2 244.382 3.221 20 30 BGEDLP C=CC[C@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000862440437 589212852 /nfs/dbraw/zinc/21/28/52/589212852.db2.gz HSFCDOPUTLELPP-HNNXBMFYSA-N 2 2 244.382 3.221 20 30 BGEDLP C=CC[C@@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000862440438 589212991 /nfs/dbraw/zinc/21/29/91/589212991.db2.gz HSFCDOPUTLELPP-OAHLLOKOSA-N 2 2 244.382 3.221 20 30 BGEDLP C=CC[C@@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000862440438 589212990 /nfs/dbraw/zinc/21/29/90/589212990.db2.gz HSFCDOPUTLELPP-OAHLLOKOSA-N 2 2 244.382 3.221 20 30 BGEDLP C#CCCCCCC[NH2+]CCc1cc[nH+]cc1C ZINC000877117771 590288247 /nfs/dbraw/zinc/28/82/47/590288247.db2.gz VCPAWXXLUGJFCQ-UHFFFAOYSA-N 2 2 244.382 3.106 20 30 BGEDLP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880135154 590938726 /nfs/dbraw/zinc/93/87/26/590938726.db2.gz ZYGIOPFTHXIGIZ-CABCVRRESA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880135154 590938723 /nfs/dbraw/zinc/93/87/23/590938723.db2.gz ZYGIOPFTHXIGIZ-CABCVRRESA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880135154 590938721 /nfs/dbraw/zinc/93/87/21/590938721.db2.gz ZYGIOPFTHXIGIZ-CABCVRRESA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880135154 590938718 /nfs/dbraw/zinc/93/87/18/590938718.db2.gz ZYGIOPFTHXIGIZ-CABCVRRESA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880135155 590936771 /nfs/dbraw/zinc/93/67/71/590936771.db2.gz ZYGIOPFTHXIGIZ-GJZGRUSLSA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880135155 590936768 /nfs/dbraw/zinc/93/67/68/590936768.db2.gz ZYGIOPFTHXIGIZ-GJZGRUSLSA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880135155 590936766 /nfs/dbraw/zinc/93/67/66/590936766.db2.gz ZYGIOPFTHXIGIZ-GJZGRUSLSA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880135155 590936763 /nfs/dbraw/zinc/93/67/63/590936763.db2.gz ZYGIOPFTHXIGIZ-GJZGRUSLSA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880135156 590938166 /nfs/dbraw/zinc/93/81/66/590938166.db2.gz ZYGIOPFTHXIGIZ-HUUCEWRRSA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880135156 590938164 /nfs/dbraw/zinc/93/81/64/590938164.db2.gz ZYGIOPFTHXIGIZ-HUUCEWRRSA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880135156 590938162 /nfs/dbraw/zinc/93/81/62/590938162.db2.gz ZYGIOPFTHXIGIZ-HUUCEWRRSA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880135156 590938160 /nfs/dbraw/zinc/93/81/60/590938160.db2.gz ZYGIOPFTHXIGIZ-HUUCEWRRSA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880135157 590937842 /nfs/dbraw/zinc/93/78/42/590937842.db2.gz ZYGIOPFTHXIGIZ-LSDHHAIUSA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880135157 590937840 /nfs/dbraw/zinc/93/78/40/590937840.db2.gz ZYGIOPFTHXIGIZ-LSDHHAIUSA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880135157 590937839 /nfs/dbraw/zinc/93/78/39/590937839.db2.gz ZYGIOPFTHXIGIZ-LSDHHAIUSA-N 2 2 238.419 3.125 20 30 BGEDLP CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880135157 590937838 /nfs/dbraw/zinc/93/78/38/590937838.db2.gz ZYGIOPFTHXIGIZ-LSDHHAIUSA-N 2 2 238.419 3.125 20 30 BGEDLP C=CCCC[N@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000898246258 584100905 /nfs/dbraw/zinc/10/09/05/584100905.db2.gz OEFBQWXPOWCYFV-UHFFFAOYSA-N 2 2 243.354 3.122 20 30 BGEDLP C=CCCC[N@@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000898246258 584100904 /nfs/dbraw/zinc/10/09/04/584100904.db2.gz OEFBQWXPOWCYFV-UHFFFAOYSA-N 2 2 243.354 3.122 20 30 BGEDLP C=CCCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925763614 646467235 /nfs/dbraw/zinc/46/72/35/646467235.db2.gz BHOUFUFDXJNHAU-CVEARBPZSA-N 2 2 244.382 3.036 20 30 BGEDLP C=CCCC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925763616 646465871 /nfs/dbraw/zinc/46/58/71/646465871.db2.gz BHOUFUFDXJNHAU-HOTGVXAUSA-N 2 2 244.382 3.036 20 30 BGEDLP C=CCCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925763618 646466581 /nfs/dbraw/zinc/46/65/81/646466581.db2.gz BHOUFUFDXJNHAU-HZPDHXFCSA-N 2 2 244.382 3.036 20 30 BGEDLP C=CCCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925763620 646466540 /nfs/dbraw/zinc/46/65/40/646466540.db2.gz BHOUFUFDXJNHAU-JKSUJKDBSA-N 2 2 244.382 3.036 20 30 BGEDLP C=CCC1([NH2+]Cc2[nH]c(C)[nH+]c2C)CCCCC1 ZINC000931191335 640095822 /nfs/dbraw/zinc/09/58/22/640095822.db2.gz UQBYYFYUWYHLLY-UHFFFAOYSA-N 2 2 247.386 3.395 20 30 BGEDLP