smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000008731127 384289621 /nfs/dbraw/zinc/28/96/21/384289621.db2.gz ACBJDBIGMIXXON-UHFFFAOYSA-N 2 1 246.398 3.041 20 0 BGADMP CC[NH+](CC)CCC[NH2+]C/C=C/c1ccccc1 ZINC000013734166 356429959 /nfs/dbraw/zinc/42/99/59/356429959.db2.gz BRYNVUQDDXECRH-XYOKQWHBSA-N 2 1 246.398 3.021 20 0 BGADMP CC(C)(C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000017744582 355894464 /nfs/dbraw/zinc/89/44/64/355894464.db2.gz UDHYIHYYRQGULP-UHFFFAOYSA-N 2 1 246.398 3.039 20 0 BGADMP CC(C)[NH+](CC[NH2+]C1CCC(C)CC1)C(C)C ZINC000019900942 168163248 /nfs/dbraw/zinc/16/32/48/168163248.db2.gz GCEYQULPJKCLKR-UHFFFAOYSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+]C1CCCCCC1)C(C)C ZINC000019900943 347310800 /nfs/dbraw/zinc/31/08/00/347310800.db2.gz PGFGCPLFUFLIRU-UHFFFAOYSA-N 2 1 240.435 3.418 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H]1CCCC[C@H]1C)C(C)C ZINC000019900954 259385349 /nfs/dbraw/zinc/38/53/49/259385349.db2.gz AOJFFNQMFOIQOW-CABCVRRESA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H]1CCCC[C@@H]1C)C(C)C ZINC000019900955 259385406 /nfs/dbraw/zinc/38/54/06/259385406.db2.gz AOJFFNQMFOIQOW-GJZGRUSLSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC[C@H]1C)C(C)C ZINC000019900956 259385299 /nfs/dbraw/zinc/38/52/99/259385299.db2.gz AOJFFNQMFOIQOW-HUUCEWRRSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC[C@@H]1C)C(C)C ZINC000019900958 259385375 /nfs/dbraw/zinc/38/53/75/259385375.db2.gz AOJFFNQMFOIQOW-LSDHHAIUSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H](C)C1)C(C)C ZINC000019900960 350838051 /nfs/dbraw/zinc/83/80/51/350838051.db2.gz VXCZXCQMMGLSKA-HUUCEWRRSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@H](C)C1)C(C)C ZINC000019900961 188191976 /nfs/dbraw/zinc/19/19/76/188191976.db2.gz VXCZXCQMMGLSKA-LSDHHAIUSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@@H](C)C1)C(C)C ZINC000019900962 386666609 /nfs/dbraw/zinc/66/66/09/386666609.db2.gz VXCZXCQMMGLSKA-CABCVRRESA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@H](C)C1)C(C)C ZINC000019900964 350837903 /nfs/dbraw/zinc/83/79/03/350837903.db2.gz VXCZXCQMMGLSKA-GJZGRUSLSA-N 2 1 240.435 3.274 20 0 BGADMP CCC(CC)C[NH2+]CC[NH+](C(C)C)C(C)C ZINC000019900982 168359949 /nfs/dbraw/zinc/35/99/49/168359949.db2.gz GUSZMBQCNFWYFV-UHFFFAOYSA-N 2 1 228.424 3.131 20 0 BGADMP CC(C)[NH+](CC[NH2+]CC1CCCCC1)C(C)C ZINC000019900984 188019310 /nfs/dbraw/zinc/01/93/10/188019310.db2.gz NOCZKKGXPSHISZ-UHFFFAOYSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)C[C@@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000019901018 590039457 /nfs/dbraw/zinc/03/94/57/590039457.db2.gz VKJYLGCCWPTRGA-CQSZACIVSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)C[C@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000019901020 590039797 /nfs/dbraw/zinc/03/97/97/590039797.db2.gz VKJYLGCCWPTRGA-AWEZNQCLSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)[NH+](CC[NH2+]C1CCCCC1)C(C)C ZINC000019901153 187206231 /nfs/dbraw/zinc/20/62/31/187206231.db2.gz CVHSGBVGWHUSBB-UHFFFAOYSA-N 2 1 226.408 3.028 20 0 BGADMP CC[NH+]1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000019909939 590042850 /nfs/dbraw/zinc/04/28/50/590042850.db2.gz OIGPGTDHOOTJLB-UHFFFAOYSA-N 2 1 238.419 3.173 20 0 BGADMP CCC(CC)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019912971 168360170 /nfs/dbraw/zinc/36/01/70/168360170.db2.gz JBLBOSLMZUZRNG-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP CCC(CC)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000019912973 168360161 /nfs/dbraw/zinc/36/01/61/168360161.db2.gz JBLBOSLMZUZRNG-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP CC(C)C[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019913034 259385706 /nfs/dbraw/zinc/38/57/06/259385706.db2.gz WROGFJAXGBRGJM-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019913035 347317434 /nfs/dbraw/zinc/31/74/34/347317434.db2.gz WROGFJAXGBRGJM-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019913064 168387043 /nfs/dbraw/zinc/38/70/43/168387043.db2.gz HLPCQCOMELBHOI-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCC(CC)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000019913066 168386868 /nfs/dbraw/zinc/38/68/68/168386868.db2.gz HLPCQCOMELBHOI-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccc1 ZINC000019913176 176070317 /nfs/dbraw/zinc/07/03/17/176070317.db2.gz ZBPCFRDGVSYZNK-OAHLLOKOSA-N 2 1 246.398 3.041 20 0 BGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccc1 ZINC000019913178 177075157 /nfs/dbraw/zinc/07/51/57/177075157.db2.gz ZBPCFRDGVSYZNK-HNNXBMFYSA-N 2 1 246.398 3.041 20 0 BGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCCCC1 ZINC000019913185 176071223 /nfs/dbraw/zinc/07/12/23/176071223.db2.gz UXJLRFGBQZYABT-CQSZACIVSA-N 2 1 238.419 3.173 20 0 BGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCCCC1 ZINC000019913186 177074598 /nfs/dbraw/zinc/07/45/98/177074598.db2.gz UXJLRFGBQZYABT-AWEZNQCLSA-N 2 1 238.419 3.173 20 0 BGADMP CCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000019913189 387062742 /nfs/dbraw/zinc/06/27/42/387062742.db2.gz JZODEJOKJWJZAK-KBPBESRZSA-N 2 1 226.408 3.029 20 0 BGADMP C[N@@H+](CCC[NH2+]C1CCCC1)Cc1ccccc1 ZINC000019913207 590044140 /nfs/dbraw/zinc/04/41/40/590044140.db2.gz YBDPEVNGIQXQRE-UHFFFAOYSA-N 2 1 246.398 3.041 20 0 BGADMP CCC(CC)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000019913258 259392579 /nfs/dbraw/zinc/39/25/79/259392579.db2.gz GAGQLLJGKUUXKN-UHFFFAOYSA-N 2 1 248.414 3.287 20 0 BGADMP CC(C)[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000019913266 188173813 /nfs/dbraw/zinc/17/38/13/188173813.db2.gz DXBQCBADHJLUEC-HNNXBMFYSA-N 2 1 248.414 3.143 20 0 BGADMP CCC[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000019913280 259385641 /nfs/dbraw/zinc/38/56/41/259385641.db2.gz HDCKVBNZMRFJIL-OAHLLOKOSA-N 2 1 248.414 3.287 20 0 BGADMP CCC[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000019913282 259385846 /nfs/dbraw/zinc/38/58/46/259385846.db2.gz HDCKVBNZMRFJIL-HNNXBMFYSA-N 2 1 248.414 3.287 20 0 BGADMP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019914622 347378518 /nfs/dbraw/zinc/37/85/18/347378518.db2.gz ZHOYWNYHJGJOIO-CQSZACIVSA-N 2 1 246.398 3.039 20 0 BGADMP CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019914623 171338883 /nfs/dbraw/zinc/33/88/83/171338883.db2.gz ZHOYWNYHJGJOIO-AWEZNQCLSA-N 2 1 246.398 3.039 20 0 BGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccs1 ZINC000019942947 356994569 /nfs/dbraw/zinc/99/45/69/356994569.db2.gz MJCNFUBSKGLSNB-LBPRGKRZSA-N 2 1 240.416 3.131 20 0 BGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccs1 ZINC000019942948 356994550 /nfs/dbraw/zinc/99/45/50/356994550.db2.gz MJCNFUBSKGLSNB-GFCCVEGCSA-N 2 1 240.416 3.131 20 0 BGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc2ccccc2o1 ZINC000019959252 384563107 /nfs/dbraw/zinc/56/31/07/384563107.db2.gz HCYNSQGZCHMRLD-GFCCVEGCSA-N 2 1 246.354 3.035 20 0 BGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cc2ccccc2o1 ZINC000019959256 397962758 /nfs/dbraw/zinc/96/27/58/397962758.db2.gz HCYNSQGZCHMRLD-LBPRGKRZSA-N 2 1 246.354 3.035 20 0 BGADMP CC(C)C[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000019980823 259386880 /nfs/dbraw/zinc/38/68/80/259386880.db2.gz SMQINZXMOYDUQS-CABCVRRESA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000019980827 259386987 /nfs/dbraw/zinc/38/69/87/259386987.db2.gz SMQINZXMOYDUQS-GJZGRUSLSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000019980831 259386677 /nfs/dbraw/zinc/38/66/77/259386677.db2.gz SMQINZXMOYDUQS-HUUCEWRRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000019980835 259386701 /nfs/dbraw/zinc/38/67/01/259386701.db2.gz SMQINZXMOYDUQS-LSDHHAIUSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)C[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000019995950 168361446 /nfs/dbraw/zinc/36/14/46/168361446.db2.gz BOEMFUUWABOTPA-HNNXBMFYSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)C[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000019995953 168362137 /nfs/dbraw/zinc/36/21/37/168362137.db2.gz BOEMFUUWABOTPA-OAHLLOKOSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@@H](C)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020008653 169358678 /nfs/dbraw/zinc/35/86/78/169358678.db2.gz YCTMYKYMDNQVKA-CABCVRRESA-N 2 1 240.435 3.277 20 0 BGADMP CCC[C@H](C)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020008655 387067584 /nfs/dbraw/zinc/06/75/84/387067584.db2.gz YCTMYKYMDNQVKA-GJZGRUSLSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@@H](C)C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020022840 347401122 /nfs/dbraw/zinc/40/11/22/347401122.db2.gz NKYLLHNYQDZEKG-OAHLLOKOSA-N 2 1 248.414 3.144 20 0 BGADMP CC[C@H](C)C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020022842 171284743 /nfs/dbraw/zinc/28/47/43/171284743.db2.gz NKYLLHNYQDZEKG-HNNXBMFYSA-N 2 1 248.414 3.144 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020023417 259387438 /nfs/dbraw/zinc/38/74/38/259387438.db2.gz ZUTUQHUDBHGKKZ-ZNMIVQPWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020023424 259387433 /nfs/dbraw/zinc/38/74/33/259387433.db2.gz ZUTUQHUDBHGKKZ-KKUMJFAQSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@@H](C[NH2+]C1CCCCC1)[NH+](C)C ZINC000020024714 259387409 /nfs/dbraw/zinc/38/74/09/259387409.db2.gz OJEQXINIKGVLRP-OAHLLOKOSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)[C@H](C[NH2+]C1CCCCC1)[NH+](C)C ZINC000020024717 259387394 /nfs/dbraw/zinc/38/73/94/259387394.db2.gz OJEQXINIKGVLRP-HNNXBMFYSA-N 2 1 240.435 3.275 20 0 BGADMP C[N@@H+](CCCCCCC[NH3+])Cc1ccccc1 ZINC000020072559 590071206 /nfs/dbraw/zinc/07/12/06/590071206.db2.gz AQFUSYCERUTZIX-UHFFFAOYSA-N 2 1 234.387 3.028 20 0 BGADMP C[N@@H+](CCCCCCC[NH3+])C1CCCCC1 ZINC000020073203 590071090 /nfs/dbraw/zinc/07/10/90/590071090.db2.gz ZAWAPEZPJABDIS-UHFFFAOYSA-N 2 1 226.408 3.160 20 0 BGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCCC[NH3+] ZINC000020074006 177116272 /nfs/dbraw/zinc/11/62/72/177116272.db2.gz KDJVIKRXXHEEQL-OKILXGFUSA-N 2 1 226.408 3.159 20 0 BGADMP CC(C)[NH+](CC[NH2+]C[C@H]1CC=CCC1)C(C)C ZINC000020086701 187370370 /nfs/dbraw/zinc/37/03/70/187370370.db2.gz QGHCGDLMPQBYIG-HNNXBMFYSA-N 2 1 238.419 3.051 20 0 BGADMP CC(C)[NH+](CC[NH2+]C[C@@H]1CC=CCC1)C(C)C ZINC000020086703 219818425 /nfs/dbraw/zinc/81/84/25/219818425.db2.gz QGHCGDLMPQBYIG-OAHLLOKOSA-N 2 1 238.419 3.051 20 0 BGADMP CC[C@@H](C)[C@@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000020086720 590072896 /nfs/dbraw/zinc/07/28/96/590072896.db2.gz CGYZGSYCYPDMMD-ZIAGYGMSSA-N 2 1 228.424 3.129 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000020086722 171364488 /nfs/dbraw/zinc/36/44/88/171364488.db2.gz CGYZGSYCYPDMMD-UONOGXRCSA-N 2 1 228.424 3.129 20 0 BGADMP CC[C@@H](C)[C@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000020086723 590073435 /nfs/dbraw/zinc/07/34/35/590073435.db2.gz CGYZGSYCYPDMMD-KGLIPLIRSA-N 2 1 228.424 3.129 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000020086725 171388661 /nfs/dbraw/zinc/38/86/61/171388661.db2.gz CGYZGSYCYPDMMD-KBPBESRZSA-N 2 1 228.424 3.129 20 0 BGADMP CCC(CC)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000020094584 259388058 /nfs/dbraw/zinc/38/80/58/259388058.db2.gz GSHUFDBDOCNDIQ-UHFFFAOYSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000020094643 259388119 /nfs/dbraw/zinc/38/81/19/259388119.db2.gz YECYVHLEWIARIV-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000020094645 259388255 /nfs/dbraw/zinc/38/82/55/259388255.db2.gz YECYVHLEWIARIV-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000020126118 363026616 /nfs/dbraw/zinc/02/66/16/363026616.db2.gz LWPRYZSEBGGHMD-AWEZNQCLSA-N 2 1 246.398 3.130 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000020126119 363027248 /nfs/dbraw/zinc/02/72/48/363027248.db2.gz LWPRYZSEBGGHMD-CQSZACIVSA-N 2 1 246.398 3.130 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCCC(C)C)CC1 ZINC000020138605 347355338 /nfs/dbraw/zinc/35/53/38/347355338.db2.gz GZPHIIHGPIKHNE-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H](C)CCCC(C)C)CC1 ZINC000020138608 347355491 /nfs/dbraw/zinc/35/54/91/347355491.db2.gz GZPHIIHGPIKHNE-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)CCCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000020197831 590081863 /nfs/dbraw/zinc/08/18/63/590081863.db2.gz IQQLPDURXYGQKX-UHFFFAOYSA-N 2 1 240.435 3.277 20 0 BGADMP CC(C)[C@@H](C[NH2+]C1CCCCC1)[NH+]1CCCC1 ZINC000020200927 167398581 /nfs/dbraw/zinc/39/85/81/167398581.db2.gz YLTCCHGVADPEAW-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[C@H](C[NH2+]C1CCCCC1)[NH+]1CCCC1 ZINC000020200930 633810391 /nfs/dbraw/zinc/81/03/91/633810391.db2.gz YLTCCHGVADPEAW-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1ccccc1C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000020226844 590089552 /nfs/dbraw/zinc/08/95/52/590089552.db2.gz FMXJIDXQDHYIJQ-UHFFFAOYSA-N 2 1 246.398 3.088 20 0 BGADMP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCCCC2)cc1 ZINC000020226848 590089783 /nfs/dbraw/zinc/08/97/83/590089783.db2.gz XUNVSBVXFSPCLE-UHFFFAOYSA-N 2 1 246.398 3.088 20 0 BGADMP Cc1ccc(C[N@@H+](C)CCCCCCC[NH3+])cc1 ZINC000020264687 590094145 /nfs/dbraw/zinc/09/41/45/590094145.db2.gz IWUHVISFOMOQQU-UHFFFAOYSA-N 2 1 248.414 3.336 20 0 BGADMP CC[N@@H+](CCCCCCC[NH3+])Cc1ccccc1 ZINC000020486608 590116565 /nfs/dbraw/zinc/11/65/65/590116565.db2.gz VQCHAXCOVPZJPH-UHFFFAOYSA-N 2 1 248.414 3.418 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523968 387107648 /nfs/dbraw/zinc/10/76/48/387107648.db2.gz CHOLHQFZABDOES-FFHGMXDLSA-N 2 1 238.419 3.026 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523969 357011970 /nfs/dbraw/zinc/01/19/70/357011970.db2.gz CHOLHQFZABDOES-AVOUXACISA-N 2 1 238.419 3.026 20 0 BGADMP CCC[C@@H](C)[NH2+]C[C@@H](C(CC)CC)[NH+](C)C ZINC000020559609 259399787 /nfs/dbraw/zinc/39/97/87/259399787.db2.gz LGJVVYNGPLMWMU-OCCSQVGLSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[C@H](C)[NH2+]C[C@@H](C(CC)CC)[NH+](C)C ZINC000020559611 259399985 /nfs/dbraw/zinc/39/99/85/259399985.db2.gz LGJVVYNGPLMWMU-JSGCOSHPSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[C@@H](C)[NH2+]C[C@H](C(CC)CC)[NH+](C)C ZINC000020559613 385470153 /nfs/dbraw/zinc/47/01/53/385470153.db2.gz LGJVVYNGPLMWMU-TZMCWYRMSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[C@H](C)[NH2+]C[C@H](C(CC)CC)[NH+](C)C ZINC000020559615 385469524 /nfs/dbraw/zinc/46/95/24/385469524.db2.gz LGJVVYNGPLMWMU-GXTWGEPZSA-N 2 1 228.424 3.131 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000021008866 386205481 /nfs/dbraw/zinc/20/54/81/386205481.db2.gz CJNAJELMBAIAMR-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000021008868 386206559 /nfs/dbraw/zinc/20/65/59/386206559.db2.gz CJNAJELMBAIAMR-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@@H](C)C[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000021012072 169359930 /nfs/dbraw/zinc/35/99/30/169359930.db2.gz OOJFXDPOSRGSRR-CABCVRRESA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H](C)C[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000021012073 487904522 /nfs/dbraw/zinc/90/45/22/487904522.db2.gz OOJFXDPOSRGSRR-GJZGRUSLSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@@H](C)C[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000021012074 169360409 /nfs/dbraw/zinc/36/04/09/169360409.db2.gz OOJFXDPOSRGSRR-HUUCEWRRSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H](C)C[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000021012075 487904502 /nfs/dbraw/zinc/90/45/02/487904502.db2.gz OOJFXDPOSRGSRR-LSDHHAIUSA-N 2 1 240.435 3.133 20 0 BGADMP C[NH+](C)C1(C[NH2+]C2CCCCC2)CCCCC1 ZINC000021057224 386229919 /nfs/dbraw/zinc/22/99/19/386229919.db2.gz MRTZPWZYOLUDGO-UHFFFAOYSA-N 2 1 238.419 3.173 20 0 BGADMP CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000021505072 350494152 /nfs/dbraw/zinc/49/41/52/350494152.db2.gz DMIGPNZUWBBYLQ-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000021505073 171364825 /nfs/dbraw/zinc/36/48/25/171364825.db2.gz DMIGPNZUWBBYLQ-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000021505075 350493869 /nfs/dbraw/zinc/49/38/69/350493869.db2.gz DMIGPNZUWBBYLQ-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000021505076 171389001 /nfs/dbraw/zinc/38/90/01/171389001.db2.gz DMIGPNZUWBBYLQ-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)C[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000021505802 259309298 /nfs/dbraw/zinc/30/92/98/259309298.db2.gz ARTMQFUTMUJSBU-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)C[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000021505804 350494269 /nfs/dbraw/zinc/49/42/69/350494269.db2.gz ARTMQFUTMUJSBU-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022099766 356561713 /nfs/dbraw/zinc/56/17/13/356561713.db2.gz UJHOHIFAFRTTKI-CQSZACIVSA-N 2 1 246.398 3.166 20 0 BGADMP CC(C)c1ccc([C@@H](C)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022099766 356561709 /nfs/dbraw/zinc/56/17/09/356561709.db2.gz UJHOHIFAFRTTKI-CQSZACIVSA-N 2 1 246.398 3.166 20 0 BGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022099770 356562243 /nfs/dbraw/zinc/56/22/43/356562243.db2.gz UJHOHIFAFRTTKI-AWEZNQCLSA-N 2 1 246.398 3.166 20 0 BGADMP CC(C)c1ccc([C@H](C)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022099770 356562239 /nfs/dbraw/zinc/56/22/39/356562239.db2.gz UJHOHIFAFRTTKI-AWEZNQCLSA-N 2 1 246.398 3.166 20 0 BGADMP CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000034663918 169276370 /nfs/dbraw/zinc/27/63/70/169276370.db2.gz AZAVQOLNQHANNC-LBPRGKRZSA-N 2 1 243.354 3.241 20 0 BGADMP CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000034663919 169287594 /nfs/dbraw/zinc/28/75/94/169287594.db2.gz AZAVQOLNQHANNC-GFCCVEGCSA-N 2 1 243.354 3.241 20 0 BGADMP CCCCCC[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000034995362 636354809 /nfs/dbraw/zinc/35/48/09/636354809.db2.gz GZBNEJWAIJVQKP-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCCCCC[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000034995363 636353923 /nfs/dbraw/zinc/35/39/23/636353923.db2.gz GZBNEJWAIJVQKP-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000035135679 645969908 /nfs/dbraw/zinc/96/99/08/645969908.db2.gz VBHIMGGQHYLUEC-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCCCC[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000035135681 645971521 /nfs/dbraw/zinc/97/15/21/645971521.db2.gz VBHIMGGQHYLUEC-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)s1 ZINC000035285913 384403635 /nfs/dbraw/zinc/40/36/35/384403635.db2.gz DDWVBUFUTANVCV-VIFPVBQESA-N 2 1 246.807 3.004 20 0 BGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)s1 ZINC000035285914 384403289 /nfs/dbraw/zinc/40/32/89/384403289.db2.gz DDWVBUFUTANVCV-SECBINFHSA-N 2 1 246.807 3.004 20 0 BGADMP C[N@@H+](CCCCCCC[NH3+])Cc1cccs1 ZINC000035717743 643453835 /nfs/dbraw/zinc/45/38/35/643453835.db2.gz MDOJCYGKIUGGFE-UHFFFAOYSA-N 2 1 240.416 3.089 20 0 BGADMP C[N@@H+](CCCCCCC[NH3+])Cc1ccsc1 ZINC000035719374 643454756 /nfs/dbraw/zinc/45/47/56/643454756.db2.gz KYQQTMXMROWRRH-UHFFFAOYSA-N 2 1 240.416 3.089 20 0 BGADMP CC(C)C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000036122749 359659875 /nfs/dbraw/zinc/65/98/75/359659875.db2.gz WROGFJAXGBRGJM-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000036169888 640385454 /nfs/dbraw/zinc/38/54/54/640385454.db2.gz KXISHBORYIIGPP-CQSZACIVSA-N 2 1 226.408 3.018 20 0 BGADMP CC[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000036169889 640384238 /nfs/dbraw/zinc/38/42/38/640384238.db2.gz KXISHBORYIIGPP-AWEZNQCLSA-N 2 1 226.408 3.018 20 0 BGADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCCCCC1 ZINC000036328652 342809278 /nfs/dbraw/zinc/80/92/78/342809278.db2.gz HOTOBFVQKMFFNW-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@@H+](CCCCCC[NH3+])C1CCCCCC1 ZINC000036328729 640483549 /nfs/dbraw/zinc/48/35/49/640483549.db2.gz RIGGLEKNJQCBCP-UHFFFAOYSA-N 2 1 226.408 3.160 20 0 BGADMP CC(C)c1ccc(C[N@@H+](CCC[NH3+])C2CC2)cc1 ZINC000036732088 358462459 /nfs/dbraw/zinc/46/24/59/358462459.db2.gz RGZGXRULVKOSHV-UHFFFAOYSA-N 2 1 246.398 3.123 20 0 BGADMP CCC[C@@H](C)[N@@H+](C)CCCCCCC[NH3+] ZINC000036790961 712495381 /nfs/dbraw/zinc/49/53/81/712495381.db2.gz GOSMCJMDCMOMRC-CYBMUJFWSA-N 2 1 214.397 3.016 20 0 BGADMP CCC[C@H](C)[N@@H+](C)CCCCCCC[NH3+] ZINC000036790963 711465310 /nfs/dbraw/zinc/46/53/10/711465310.db2.gz GOSMCJMDCMOMRC-ZDUSSCGKSA-N 2 1 214.397 3.016 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036792280 712495865 /nfs/dbraw/zinc/49/58/65/712495865.db2.gz XTJLNVJDPHYSTJ-FFHGMXDLSA-N 2 1 238.419 3.170 20 0 BGADMP CCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036792281 712495809 /nfs/dbraw/zinc/49/58/09/712495809.db2.gz XTJLNVJDPHYSTJ-AVOUXACISA-N 2 1 238.419 3.170 20 0 BGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000036827239 712502641 /nfs/dbraw/zinc/50/26/41/712502641.db2.gz RBLUNTKLIALNHR-GJZGRUSLSA-N 2 1 238.419 3.160 20 0 BGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1(C)CC1 ZINC000036984276 387558259 /nfs/dbraw/zinc/55/82/59/387558259.db2.gz ZZNGQMCOTXPRLY-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1(C)CC1 ZINC000036984277 177075384 /nfs/dbraw/zinc/07/53/84/177075384.db2.gz ZZNGQMCOTXPRLY-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996280 712528984 /nfs/dbraw/zinc/52/89/84/712528984.db2.gz ZZOQFFGFZPDZLG-RRFJBIMHSA-N 2 1 238.419 3.172 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996280 712528983 /nfs/dbraw/zinc/52/89/83/712528983.db2.gz ZZOQFFGFZPDZLG-RRFJBIMHSA-N 2 1 238.419 3.172 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996282 712528743 /nfs/dbraw/zinc/52/87/43/712528743.db2.gz ZZOQFFGFZPDZLG-SOUVJXGZSA-N 2 1 238.419 3.172 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996282 712528741 /nfs/dbraw/zinc/52/87/41/712528741.db2.gz ZZOQFFGFZPDZLG-SOUVJXGZSA-N 2 1 238.419 3.172 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996677 358465432 /nfs/dbraw/zinc/46/54/32/358465432.db2.gz GJTUXEGDWYLJMY-RRFJBIMHSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996677 358465427 /nfs/dbraw/zinc/46/54/27/358465427.db2.gz GJTUXEGDWYLJMY-RRFJBIMHSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996679 358465124 /nfs/dbraw/zinc/46/51/24/358465124.db2.gz GJTUXEGDWYLJMY-SOUVJXGZSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996679 358465119 /nfs/dbraw/zinc/46/51/19/358465119.db2.gz GJTUXEGDWYLJMY-SOUVJXGZSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996760 388565278 /nfs/dbraw/zinc/56/52/78/388565278.db2.gz HOGZQGRNUJZHNH-HUUCEWRRSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996760 388565275 /nfs/dbraw/zinc/56/52/75/388565275.db2.gz HOGZQGRNUJZHNH-HUUCEWRRSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC(CCC)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996761 388564586 /nfs/dbraw/zinc/56/45/86/388564586.db2.gz HOGZQGRNUJZHNH-LSDHHAIUSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC(CCC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996761 388564583 /nfs/dbraw/zinc/56/45/83/388564583.db2.gz HOGZQGRNUJZHNH-LSDHHAIUSA-N 2 1 238.419 3.172 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000037031541 324224125 /nfs/dbraw/zinc/22/41/25/324224125.db2.gz QEIVGFJHVUDQKB-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000037031542 324223623 /nfs/dbraw/zinc/22/36/23/324223623.db2.gz QEIVGFJHVUDQKB-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000037031543 324223999 /nfs/dbraw/zinc/22/39/99/324223999.db2.gz QEIVGFJHVUDQKB-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000037031544 324223881 /nfs/dbraw/zinc/22/38/81/324223881.db2.gz QEIVGFJHVUDQKB-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000037083485 712532137 /nfs/dbraw/zinc/53/21/37/712532137.db2.gz ZKFSFPHVAADMEM-CQSZACIVSA-N 2 1 226.408 3.160 20 0 BGADMP CC[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000037083486 712532482 /nfs/dbraw/zinc/53/24/82/712532482.db2.gz ZKFSFPHVAADMEM-AWEZNQCLSA-N 2 1 226.408 3.160 20 0 BGADMP CC[C@H](C)[N@@H+](CC)CCCCCCC[NH3+] ZINC000037113382 712542706 /nfs/dbraw/zinc/54/27/06/712542706.db2.gz MZWJMSGWFNMYHC-ZDUSSCGKSA-N 2 1 214.397 3.016 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140796 712551849 /nfs/dbraw/zinc/55/18/49/712551849.db2.gz RRUXMRCLIFWMTH-CYBMUJFWSA-N 2 1 238.419 3.172 20 0 BGADMP CCCCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140797 712551597 /nfs/dbraw/zinc/55/15/97/712551597.db2.gz RRUXMRCLIFWMTH-ZDUSSCGKSA-N 2 1 238.419 3.172 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140896 712551689 /nfs/dbraw/zinc/55/16/89/712551689.db2.gz JEATUGBRLMKTHR-CYBMUJFWSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140897 712551866 /nfs/dbraw/zinc/55/18/66/712551866.db2.gz JEATUGBRLMKTHR-ZDUSSCGKSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC(CCC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140927 168581424 /nfs/dbraw/zinc/58/14/24/168581424.db2.gz ZLPVSJWTPLNMKD-UHFFFAOYSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000037188697 388591025 /nfs/dbraw/zinc/59/10/25/388591025.db2.gz AKVYDLVZGCIDNK-CQSZACIVSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC[C@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000037188698 388590973 /nfs/dbraw/zinc/59/09/73/388590973.db2.gz AKVYDLVZGCIDNK-AWEZNQCLSA-N 2 1 228.424 3.274 20 0 BGADMP CC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)C(C)C ZINC000037188699 711581187 /nfs/dbraw/zinc/58/11/87/711581187.db2.gz AQPXNFRNMQTYJC-AWEZNQCLSA-N 2 1 228.424 3.129 20 0 BGADMP CC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)C(C)C ZINC000037188700 712553068 /nfs/dbraw/zinc/55/30/68/712553068.db2.gz AQPXNFRNMQTYJC-CQSZACIVSA-N 2 1 228.424 3.129 20 0 BGADMP CCCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000037200191 388595557 /nfs/dbraw/zinc/59/55/57/388595557.db2.gz VURIRYBKNLMTEH-CABCVRRESA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000037200193 388595656 /nfs/dbraw/zinc/59/56/56/388595656.db2.gz VURIRYBKNLMTEH-GJZGRUSLSA-N 2 1 240.435 3.419 20 0 BGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000037200194 388595464 /nfs/dbraw/zinc/59/54/64/388595464.db2.gz GLWHJHOQCAPWGH-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000037200196 388595356 /nfs/dbraw/zinc/59/53/56/388595356.db2.gz GLWHJHOQCAPWGH-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000037216988 388599369 /nfs/dbraw/zinc/59/93/69/388599369.db2.gz NRXHDXAWOPMTLC-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000037216989 388599458 /nfs/dbraw/zinc/59/94/58/388599458.db2.gz NRXHDXAWOPMTLC-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C(C)C ZINC000037216990 324439338 /nfs/dbraw/zinc/43/93/38/324439338.db2.gz WTGBNYCUPPJOJD-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C(C)C ZINC000037216991 388599357 /nfs/dbraw/zinc/59/93/57/388599357.db2.gz WTGBNYCUPPJOJD-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000037240509 324463921 /nfs/dbraw/zinc/46/39/21/324463921.db2.gz UFXMOJUZOIKITB-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000037240511 388606737 /nfs/dbraw/zinc/60/67/37/388606737.db2.gz UFXMOJUZOIKITB-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000037240513 324463777 /nfs/dbraw/zinc/46/37/77/324463777.db2.gz UFXMOJUZOIKITB-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000037240515 324464009 /nfs/dbraw/zinc/46/40/09/324464009.db2.gz UFXMOJUZOIKITB-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC000037240517 324463861 /nfs/dbraw/zinc/46/38/61/324463861.db2.gz LKXAPNOHWLZCHT-GJZGRUSLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC000037240519 323197181 /nfs/dbraw/zinc/19/71/81/323197181.db2.gz LKXAPNOHWLZCHT-CABCVRRESA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC000037240521 323197131 /nfs/dbraw/zinc/19/71/31/323197131.db2.gz LKXAPNOHWLZCHT-LSDHHAIUSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC000037240523 323197135 /nfs/dbraw/zinc/19/71/35/323197135.db2.gz LKXAPNOHWLZCHT-HUUCEWRRSA-N 2 1 240.435 3.131 20 0 BGADMP CCCCCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037248421 712558368 /nfs/dbraw/zinc/55/83/68/712558368.db2.gz YUZHIOMMBFTCPV-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCCCCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037248423 712558581 /nfs/dbraw/zinc/55/85/81/712558581.db2.gz YUZHIOMMBFTCPV-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000037248525 343340849 /nfs/dbraw/zinc/34/08/49/343340849.db2.gz XNUVMMGBIUBTCT-INIZCTEOSA-N 2 1 246.398 3.130 20 0 BGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000037248527 383965251 /nfs/dbraw/zinc/96/52/51/383965251.db2.gz XNUVMMGBIUBTCT-MRXNPFEDSA-N 2 1 246.398 3.130 20 0 BGADMP CCCC1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000037248656 712558521 /nfs/dbraw/zinc/55/85/21/712558521.db2.gz MTEHMAMFUBCYQX-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000037248916 178495145 /nfs/dbraw/zinc/49/51/45/178495145.db2.gz SFZWGFDHDFWUKL-CQSZACIVSA-N 2 1 246.398 3.048 20 0 BGADMP Cc1ccc(C)c([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000037248918 387563228 /nfs/dbraw/zinc/56/32/28/387563228.db2.gz SFZWGFDHDFWUKL-AWEZNQCLSA-N 2 1 246.398 3.048 20 0 BGADMP CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000037249081 343340969 /nfs/dbraw/zinc/34/09/69/343340969.db2.gz OPNMECDWIMLAPC-INIZCTEOSA-N 2 1 246.398 3.212 20 0 BGADMP CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000037249083 383964235 /nfs/dbraw/zinc/96/42/35/383964235.db2.gz OPNMECDWIMLAPC-MRXNPFEDSA-N 2 1 246.398 3.212 20 0 BGADMP CC(C)CC(CC(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000037267015 363883602 /nfs/dbraw/zinc/88/36/02/363883602.db2.gz AGJLMIFBTFUWQW-UHFFFAOYSA-N 2 1 240.435 3.131 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000037267063 178838433 /nfs/dbraw/zinc/83/84/33/178838433.db2.gz BBAWCFNMLFQMMO-CQSZACIVSA-N 2 1 246.398 3.048 20 0 BGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000037267064 383967720 /nfs/dbraw/zinc/96/77/20/383967720.db2.gz BBAWCFNMLFQMMO-AWEZNQCLSA-N 2 1 246.398 3.048 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c(C)c1 ZINC000037267109 383967265 /nfs/dbraw/zinc/96/72/65/383967265.db2.gz STDSGAVCASLHSI-CQSZACIVSA-N 2 1 246.398 3.048 20 0 BGADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c(C)c1 ZINC000037267110 383968956 /nfs/dbraw/zinc/96/89/56/383968956.db2.gz STDSGAVCASLHSI-AWEZNQCLSA-N 2 1 246.398 3.048 20 0 BGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1(C)CC1 ZINC000037468034 176836289 /nfs/dbraw/zinc/83/62/89/176836289.db2.gz BBPDGMIZVYFOTK-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1(C)CC1 ZINC000037468036 387563337 /nfs/dbraw/zinc/56/33/37/387563337.db2.gz BBPDGMIZVYFOTK-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)C1(C)CC1)[NH+](C)C ZINC000037468519 385291403 /nfs/dbraw/zinc/29/14/03/385291403.db2.gz KMOFANKJBNUFMI-GXTWGEPZSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)C1(C)CC1)[NH+](C)C ZINC000037468521 385290604 /nfs/dbraw/zinc/29/06/04/385290604.db2.gz KMOFANKJBNUFMI-JSGCOSHPSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)C1(C)CC1)[NH+](C)C ZINC000037468523 385291099 /nfs/dbraw/zinc/29/10/99/385291099.db2.gz KMOFANKJBNUFMI-TZMCWYRMSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@H](C)C1(C)CC1)[NH+](C)C ZINC000037468525 168406416 /nfs/dbraw/zinc/40/64/16/168406416.db2.gz KMOFANKJBNUFMI-OCCSQVGLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](CCC[NH2+]C(C)C)C1CCCCC1 ZINC000037480272 488185102 /nfs/dbraw/zinc/18/51/02/488185102.db2.gz RQKDKQYBSRADLP-UHFFFAOYSA-N 2 1 226.408 3.029 20 0 BGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCC(C)(C)C ZINC000037488999 176070184 /nfs/dbraw/zinc/07/01/84/176070184.db2.gz RUWYJJKIERTSJI-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCC(C)(C)C ZINC000037489000 177075497 /nfs/dbraw/zinc/07/54/97/177075497.db2.gz RUWYJJKIERTSJI-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP CCC[N@@H+](CC1CCCCC1)C1CC[NH2+]CC1 ZINC000037539003 342948060 /nfs/dbraw/zinc/94/80/60/342948060.db2.gz KIANVNRTWOFDCU-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037643685 712733065 /nfs/dbraw/zinc/73/30/65/712733065.db2.gz IXZBILCSSFYHNC-CABCVRRESA-N 2 1 240.435 3.277 20 0 BGADMP CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037643686 712733002 /nfs/dbraw/zinc/73/30/02/712733002.db2.gz IXZBILCSSFYHNC-GJZGRUSLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000037643687 712732983 /nfs/dbraw/zinc/73/29/83/712732983.db2.gz IXZBILCSSFYHNC-HUUCEWRRSA-N 2 1 240.435 3.277 20 0 BGADMP CCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000037643688 168677680 /nfs/dbraw/zinc/67/76/80/168677680.db2.gz IXZBILCSSFYHNC-LSDHHAIUSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037643698 171296646 /nfs/dbraw/zinc/29/66/46/171296646.db2.gz ZSYZQYGFZPJBKN-SOUVJXGZSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037643700 171298970 /nfs/dbraw/zinc/29/89/70/171298970.db2.gz ZSYZQYGFZPJBKN-KKUMJFAQSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCCCCCC2)C1 ZINC000037643789 170014971 /nfs/dbraw/zinc/01/49/71/170014971.db2.gz JLTDIMJWWYIGKN-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCCCCCC2)C1 ZINC000037643790 170008535 /nfs/dbraw/zinc/00/85/35/170008535.db2.gz JLTDIMJWWYIGKN-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037644097 343350155 /nfs/dbraw/zinc/35/01/55/343350155.db2.gz SEDSPNXNTVJFQG-HOCLYGCPSA-N 2 1 246.398 3.069 20 0 BGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037644099 343350319 /nfs/dbraw/zinc/35/03/19/343350319.db2.gz SEDSPNXNTVJFQG-ZBFHGGJFSA-N 2 1 246.398 3.069 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649057 712733634 /nfs/dbraw/zinc/73/36/34/712733634.db2.gz OXTQBPJDFWVAKF-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649058 712734044 /nfs/dbraw/zinc/73/40/44/712734044.db2.gz OXTQBPJDFWVAKF-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649059 712733806 /nfs/dbraw/zinc/73/38/06/712733806.db2.gz OXTQBPJDFWVAKF-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649060 712733970 /nfs/dbraw/zinc/73/39/70/712733970.db2.gz OXTQBPJDFWVAKF-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC(CCC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649521 168583538 /nfs/dbraw/zinc/58/35/38/168583538.db2.gz CZAVRXBSZFXGNF-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1cccc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000037670547 179144243 /nfs/dbraw/zinc/14/42/43/179144243.db2.gz GAGWPVPKDGTINJ-AWEZNQCLSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1cccc(NCCC[N@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000037670547 179144241 /nfs/dbraw/zinc/14/42/41/179144241.db2.gz GAGWPVPKDGTINJ-AWEZNQCLSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1cccc(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000037670547 179144239 /nfs/dbraw/zinc/14/42/39/179144239.db2.gz GAGWPVPKDGTINJ-AWEZNQCLSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1cccc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC000037670549 179143441 /nfs/dbraw/zinc/14/34/41/179143441.db2.gz GAGWPVPKDGTINJ-CQSZACIVSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1cccc(NCCC[N@H+]2CCCC[C@H]2C)[nH+]1 ZINC000037670549 179143439 /nfs/dbraw/zinc/14/34/39/179143439.db2.gz GAGWPVPKDGTINJ-CQSZACIVSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1cccc(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000037670549 179143437 /nfs/dbraw/zinc/14/34/37/179143437.db2.gz GAGWPVPKDGTINJ-CQSZACIVSA-N 2 1 247.386 3.066 20 0 BGADMP CC[NH+](CC)CCC[C@@H](C)Nc1cccc(C)[nH+]1 ZINC000037670557 343350775 /nfs/dbraw/zinc/35/07/75/343350775.db2.gz UVPIGBVHKAODOQ-CQSZACIVSA-N 2 1 249.402 3.312 20 0 BGADMP CC[NH+](CC)CCC[C@H](C)Nc1cccc(C)[nH+]1 ZINC000037670559 343350856 /nfs/dbraw/zinc/35/08/56/343350856.db2.gz UVPIGBVHKAODOQ-AWEZNQCLSA-N 2 1 249.402 3.312 20 0 BGADMP C[N@@H+](CCC[NH2+]C1CCCC1)C1CCCCC1 ZINC000037860320 712776304 /nfs/dbraw/zinc/77/63/04/712776304.db2.gz HAQYFPUIZJILDK-UHFFFAOYSA-N 2 1 238.419 3.173 20 0 BGADMP CCCC[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037860334 712776310 /nfs/dbraw/zinc/77/63/10/712776310.db2.gz SDQGOVGQPIGVPX-UHFFFAOYSA-N 2 1 226.408 3.031 20 0 BGADMP CCC(CC)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901105 168387757 /nfs/dbraw/zinc/38/77/57/168387757.db2.gz SRKDKDTUVYSIGN-UHFFFAOYSA-N 2 1 240.435 3.419 20 0 BGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000037901106 712782885 /nfs/dbraw/zinc/78/28/85/712782885.db2.gz NQORQXIOBRCGDM-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000037901107 712783087 /nfs/dbraw/zinc/78/30/87/712783087.db2.gz NQORQXIOBRCGDM-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901116 363899614 /nfs/dbraw/zinc/89/96/14/363899614.db2.gz GTPNYJLBAMDBQY-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901128 388649356 /nfs/dbraw/zinc/64/93/56/388649356.db2.gz KGLYTQGRVQNNET-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901129 388649341 /nfs/dbraw/zinc/64/93/41/388649341.db2.gz KGLYTQGRVQNNET-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901131 388649469 /nfs/dbraw/zinc/64/94/69/388649469.db2.gz MRXPZKSYOHDGPK-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CC[C@@H](C)C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901137 363899334 /nfs/dbraw/zinc/89/93/34/363899334.db2.gz BVAKYTMSSNYUAQ-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@H](C)C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901138 171284702 /nfs/dbraw/zinc/28/47/02/171284702.db2.gz BVAKYTMSSNYUAQ-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP CCC1CCC([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000037977183 350297254 /nfs/dbraw/zinc/29/72/54/350297254.db2.gz ZREGGLFGWZJKMV-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000158 712798250 /nfs/dbraw/zinc/79/82/50/712798250.db2.gz DUCJXMGLBBGNHT-GJZGRUSLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000159 712798424 /nfs/dbraw/zinc/79/84/24/712798424.db2.gz DUCJXMGLBBGNHT-CABCVRRESA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000038097906 343371084 /nfs/dbraw/zinc/37/10/84/343371084.db2.gz RWSIJMNCANYZRI-INIZCTEOSA-N 2 1 246.398 3.212 20 0 BGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000038097907 384070829 /nfs/dbraw/zinc/07/08/29/384070829.db2.gz RWSIJMNCANYZRI-MRXNPFEDSA-N 2 1 246.398 3.212 20 0 BGADMP CCCC(CCC)[NH2+]C1CC[NH+](CC)CC1 ZINC000038097977 388653155 /nfs/dbraw/zinc/65/31/55/388653155.db2.gz CRVWWKVELXPWGB-UHFFFAOYSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@@H](C)C[C@@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000038097982 363900523 /nfs/dbraw/zinc/90/05/23/363900523.db2.gz MLMVJRSLCDBJQE-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000038097983 171295810 /nfs/dbraw/zinc/29/58/10/171295810.db2.gz MLMVJRSLCDBJQE-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)C[C@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000038097984 387254123 /nfs/dbraw/zinc/25/41/23/387254123.db2.gz MLMVJRSLCDBJQE-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000038097985 171299230 /nfs/dbraw/zinc/29/92/30/171299230.db2.gz MLMVJRSLCDBJQE-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000038098151 363900673 /nfs/dbraw/zinc/90/06/73/363900673.db2.gz PXAAQISVNTYHQV-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H](C)C2CCCCC2)CC1 ZINC000038098152 363900605 /nfs/dbraw/zinc/90/06/05/363900605.db2.gz PXAAQISVNTYHQV-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000038098157 343371070 /nfs/dbraw/zinc/37/10/70/343371070.db2.gz WNCXTJIMWDNLND-AWEZNQCLSA-N 2 1 246.398 3.130 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000038098158 343370943 /nfs/dbraw/zinc/37/09/43/343370943.db2.gz WNCXTJIMWDNLND-CQSZACIVSA-N 2 1 246.398 3.130 20 0 BGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040592999 352603977 /nfs/dbraw/zinc/60/39/77/352603977.db2.gz SXTGIQNSURNXED-ZBFHGGJFSA-N 2 1 246.398 3.069 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040593001 352603487 /nfs/dbraw/zinc/60/34/87/352603487.db2.gz SXTGIQNSURNXED-GDBMZVCRSA-N 2 1 246.398 3.069 20 0 BGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000040620877 358243013 /nfs/dbraw/zinc/24/30/13/358243013.db2.gz MHZAHDHQERTRHD-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000040620879 358243330 /nfs/dbraw/zinc/24/33/30/358243330.db2.gz MHZAHDHQERTRHD-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC(CCC)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622004 358243623 /nfs/dbraw/zinc/24/36/23/358243623.db2.gz NZSBROLUNVDFOL-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC(CCC)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622007 358242893 /nfs/dbraw/zinc/24/28/93/358242893.db2.gz NZSBROLUNVDFOL-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622015 358243544 /nfs/dbraw/zinc/24/35/44/358243544.db2.gz OXSSFHPXSKSGDH-CABCVRRESA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622018 358243152 /nfs/dbraw/zinc/24/31/52/358243152.db2.gz OXSSFHPXSKSGDH-GJZGRUSLSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622020 358243045 /nfs/dbraw/zinc/24/30/45/358243045.db2.gz OXSSFHPXSKSGDH-HUUCEWRRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622023 358242930 /nfs/dbraw/zinc/24/29/30/358242930.db2.gz OXSSFHPXSKSGDH-LSDHHAIUSA-N 2 1 240.435 3.131 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622329 711483300 /nfs/dbraw/zinc/48/33/00/711483300.db2.gz QYIUONKKRMVYAI-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622331 711483004 /nfs/dbraw/zinc/48/30/04/711483004.db2.gz QYIUONKKRMVYAI-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCCC2)([NH+](C)C)C1 ZINC000040668081 176133826 /nfs/dbraw/zinc/13/38/26/176133826.db2.gz FUMJETAEVDCFNV-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[C@@](C[NH2+]C2CCCC2)([NH+](C)C)C1 ZINC000040668083 177127511 /nfs/dbraw/zinc/12/75/11/177127511.db2.gz FUMJETAEVDCFNV-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@](C[NH2+]C2CCCC2)([NH+](C)C)C1 ZINC000040668085 176152069 /nfs/dbraw/zinc/15/20/69/176152069.db2.gz FUMJETAEVDCFNV-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[C@](C[NH2+]C2CCCC2)([NH+](C)C)C1 ZINC000040668087 177143620 /nfs/dbraw/zinc/14/36/20/177143620.db2.gz FUMJETAEVDCFNV-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(CC)[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040668324 384590562 /nfs/dbraw/zinc/59/05/62/384590562.db2.gz WWCMMYHKNDORLE-ZFWWWQNUSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040668326 384588708 /nfs/dbraw/zinc/58/87/08/384588708.db2.gz WWCMMYHKNDORLE-DZGCQCFKSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040668328 384588387 /nfs/dbraw/zinc/58/83/87/384588387.db2.gz WWCMMYHKNDORLE-HIFRSBDPSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040668330 384589175 /nfs/dbraw/zinc/58/91/75/384589175.db2.gz WWCMMYHKNDORLE-UKRRQHHQSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040668387 384588936 /nfs/dbraw/zinc/58/89/36/384588936.db2.gz YUSKQCWATWWHKD-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040668391 384590468 /nfs/dbraw/zinc/59/04/68/384590468.db2.gz YUSKQCWATWWHKD-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040668508 322833601 /nfs/dbraw/zinc/83/36/01/322833601.db2.gz IJMBJECGGRTBQM-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040668512 384590234 /nfs/dbraw/zinc/59/02/34/384590234.db2.gz IJMBJECGGRTBQM-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP C[N@@H+](CCC[NH2+]CC(C)(C)C)Cc1ccccc1 ZINC000041120161 635430151 /nfs/dbraw/zinc/43/01/51/635430151.db2.gz ZNEYBRCAMAGYFW-UHFFFAOYSA-N 2 1 248.414 3.144 20 0 BGADMP C[C@@H]1CCC[C@@](C[NH2+]CC(C)(C)C)([NH+](C)C)C1 ZINC000041120961 176133646 /nfs/dbraw/zinc/13/36/46/176133646.db2.gz FZPFIEZZIJJNAG-UKRRQHHQSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H]1CCC[C@@](C[NH2+]CC(C)(C)C)([NH+](C)C)C1 ZINC000041120964 177127632 /nfs/dbraw/zinc/12/76/32/177127632.db2.gz FZPFIEZZIJJNAG-DZGCQCFKSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H]1CCC[C@](C[NH2+]CC(C)(C)C)([NH+](C)C)C1 ZINC000041120967 176152407 /nfs/dbraw/zinc/15/24/07/176152407.db2.gz FZPFIEZZIJJNAG-HIFRSBDPSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H]1CCC[C@](C[NH2+]CC(C)(C)C)([NH+](C)C)C1 ZINC000041120970 177143853 /nfs/dbraw/zinc/14/38/53/177143853.db2.gz FZPFIEZZIJJNAG-ZFWWWQNUSA-N 2 1 240.435 3.133 20 0 BGADMP Cc1cccc(C[N@@H+](C)CCCCCCC[NH3+])c1 ZINC000042435897 637246415 /nfs/dbraw/zinc/24/64/15/637246415.db2.gz KVHPZQOZSXOFHY-UHFFFAOYSA-N 2 1 248.414 3.336 20 0 BGADMP Cc1ccccc1C[N@@H+](C)CCCCCCC[NH3+] ZINC000042436121 637246638 /nfs/dbraw/zinc/24/66/38/637246638.db2.gz GFWLQLJKDPRISN-UHFFFAOYSA-N 2 1 248.414 3.336 20 0 BGADMP CCC(CC)C[N@@H+](CC)CCC1CC[NH2+]CC1 ZINC000042487835 384642034 /nfs/dbraw/zinc/64/20/34/384642034.db2.gz MERZOPBTAPMCCB-UHFFFAOYSA-N 2 1 240.435 3.134 20 0 BGADMP CC1CCC([N@@H+](C)CCCCCC[NH3+])CC1 ZINC000042488236 637274044 /nfs/dbraw/zinc/27/40/44/637274044.db2.gz CCIHKJMINLLTDQ-UHFFFAOYSA-N 2 1 226.408 3.016 20 0 BGADMP CC1CCC([N@@H+](C)CCCCCCC[NH3+])CC1 ZINC000042488252 637274163 /nfs/dbraw/zinc/27/41/63/637274163.db2.gz SNDHDGGMBBJANK-UHFFFAOYSA-N 2 1 240.435 3.406 20 0 BGADMP CC[N@@H+](CCCCCC[NH3+])Cc1cccs1 ZINC000042488280 358349990 /nfs/dbraw/zinc/34/99/90/358349990.db2.gz BNAVIUTZQGTLJN-UHFFFAOYSA-N 2 1 240.416 3.089 20 0 BGADMP C[N@@H+](CCCCCC[NH3+])CC1CCCCC1 ZINC000042495622 637274110 /nfs/dbraw/zinc/27/41/10/637274110.db2.gz LYLCRLUCFBVVOR-UHFFFAOYSA-N 2 1 226.408 3.018 20 0 BGADMP C[N@@H+](CCCCCCC[NH3+])CC1CCCCC1 ZINC000042495651 637274344 /nfs/dbraw/zinc/27/43/44/637274344.db2.gz UPNSDEJKBJWWJG-UHFFFAOYSA-N 2 1 240.435 3.408 20 0 BGADMP C[C@@H]1CCC[C@H]([N@@H+](C)CCCCCC[NH3+])C1 ZINC000042495743 641554323 /nfs/dbraw/zinc/55/43/23/641554323.db2.gz YFZXMRWMOUDCEK-KGLIPLIRSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@H]1CCC[C@H]([N@@H+](C)CCCCCC[NH3+])C1 ZINC000042495745 641553471 /nfs/dbraw/zinc/55/34/71/641553471.db2.gz YFZXMRWMOUDCEK-KBPBESRZSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CCCCCC[NH3+])C1 ZINC000042495747 641554808 /nfs/dbraw/zinc/55/48/08/641554808.db2.gz YFZXMRWMOUDCEK-ZIAGYGMSSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@H]1CCC[C@@H]([N@@H+](C)CCCCCC[NH3+])C1 ZINC000042495749 641554315 /nfs/dbraw/zinc/55/43/15/641554315.db2.gz YFZXMRWMOUDCEK-UONOGXRCSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1CCC[C@H]([N@@H+](C)CCCCCCC[NH3+])C1 ZINC000042495804 176140269 /nfs/dbraw/zinc/14/02/69/176140269.db2.gz JUQQXRLXYAWYTL-CABCVRRESA-N 2 1 240.435 3.406 20 0 BGADMP C[C@H]1CCC[C@H]([N@@H+](C)CCCCCCC[NH3+])C1 ZINC000042495806 177134636 /nfs/dbraw/zinc/13/46/36/177134636.db2.gz JUQQXRLXYAWYTL-GJZGRUSLSA-N 2 1 240.435 3.406 20 0 BGADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CCCCCCC[NH3+])C1 ZINC000042495808 176120558 /nfs/dbraw/zinc/12/05/58/176120558.db2.gz JUQQXRLXYAWYTL-HUUCEWRRSA-N 2 1 240.435 3.406 20 0 BGADMP C[C@H]1CCC[C@@H]([N@@H+](C)CCCCCCC[NH3+])C1 ZINC000042495810 177120883 /nfs/dbraw/zinc/12/08/83/177120883.db2.gz JUQQXRLXYAWYTL-LSDHHAIUSA-N 2 1 240.435 3.406 20 0 BGADMP CCCCC[N@@H+](CCC1CC[NH2+]CC1)C(C)C ZINC000042551816 342999868 /nfs/dbraw/zinc/99/98/68/342999868.db2.gz MXTAWFYEJKYHLP-UHFFFAOYSA-N 2 1 240.435 3.277 20 0 BGADMP CC(C)C[N@@H+](CCCCCCC[NH3+])C1CC1 ZINC000042559865 637284022 /nfs/dbraw/zinc/28/40/22/637284022.db2.gz QFHDFVVKHUYVMY-UHFFFAOYSA-N 2 1 226.408 3.016 20 0 BGADMP CC(C)C[N@@H+](CCCCCCC[NH3+])C(C)C ZINC000042593406 637290571 /nfs/dbraw/zinc/29/05/71/637290571.db2.gz MAPDQUJZZQJAFC-UHFFFAOYSA-N 2 1 228.424 3.262 20 0 BGADMP CC(C)[N@@H+](CCCCCCC[NH3+])CC1CC1 ZINC000042593578 637291197 /nfs/dbraw/zinc/29/11/97/637291197.db2.gz MZUVOZOAOYCREP-UHFFFAOYSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCCCCC[NH3+] ZINC000042611009 176078847 /nfs/dbraw/zinc/07/88/47/176078847.db2.gz QZXFJXLRNOFPNG-CABCVRRESA-N 2 1 240.435 3.406 20 0 BGADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCCCCC[NH3+] ZINC000042611011 177080794 /nfs/dbraw/zinc/08/07/94/177080794.db2.gz QZXFJXLRNOFPNG-GJZGRUSLSA-N 2 1 240.435 3.406 20 0 BGADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCCCCC[NH3+] ZINC000042611013 176086779 /nfs/dbraw/zinc/08/67/79/176086779.db2.gz QZXFJXLRNOFPNG-HUUCEWRRSA-N 2 1 240.435 3.406 20 0 BGADMP C[C@H]1CCCC[C@H]1[N@@H+](C)CCCCCCC[NH3+] ZINC000042611014 177086586 /nfs/dbraw/zinc/08/65/86/177086586.db2.gz QZXFJXLRNOFPNG-LSDHHAIUSA-N 2 1 240.435 3.406 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000042611074 641556454 /nfs/dbraw/zinc/55/64/54/641556454.db2.gz GDZRXFKFDJSSOA-KGLIPLIRSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000042611076 641556067 /nfs/dbraw/zinc/55/60/67/641556067.db2.gz GDZRXFKFDJSSOA-KBPBESRZSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000042611078 641555521 /nfs/dbraw/zinc/55/55/21/641555521.db2.gz GDZRXFKFDJSSOA-ZIAGYGMSSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@H]1CCCC[C@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000042611079 641556472 /nfs/dbraw/zinc/55/64/72/641556472.db2.gz GDZRXFKFDJSSOA-UONOGXRCSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@H]([N@@H+](C)CCCCCCC[NH3+])C(C)(C)C ZINC000042781591 643513695 /nfs/dbraw/zinc/51/36/95/643513695.db2.gz ZSQYUPKMXNEDTP-ZDUSSCGKSA-N 2 1 228.424 3.262 20 0 BGADMP C[C@@H]([N@@H+](C)CCCCCCC[NH3+])C(C)(C)C ZINC000042781592 641557317 /nfs/dbraw/zinc/55/73/17/641557317.db2.gz ZSQYUPKMXNEDTP-CYBMUJFWSA-N 2 1 228.424 3.262 20 0 BGADMP Cc1cc[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000043561412 386709044 /nfs/dbraw/zinc/70/90/44/386709044.db2.gz AGPYFTJQLGQGNN-AWEZNQCLSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1cc[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000043561412 386709038 /nfs/dbraw/zinc/70/90/38/386709038.db2.gz AGPYFTJQLGQGNN-AWEZNQCLSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1cc[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000043561413 386710229 /nfs/dbraw/zinc/71/02/29/386710229.db2.gz AGPYFTJQLGQGNN-CQSZACIVSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1cc[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000043561413 386710222 /nfs/dbraw/zinc/71/02/22/386710222.db2.gz AGPYFTJQLGQGNN-CQSZACIVSA-N 2 1 247.386 3.066 20 0 BGADMP CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)cc[nH+]1 ZINC000043561416 343477717 /nfs/dbraw/zinc/47/77/17/343477717.db2.gz XKCSKHRNQJYNLR-CQSZACIVSA-N 2 1 249.402 3.312 20 0 BGADMP CC[NH+](CC)CCC[C@H](C)Nc1cc(C)cc[nH+]1 ZINC000043561417 169776398 /nfs/dbraw/zinc/77/63/98/169776398.db2.gz XKCSKHRNQJYNLR-AWEZNQCLSA-N 2 1 249.402 3.312 20 0 BGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534566 387938726 /nfs/dbraw/zinc/93/87/26/387938726.db2.gz JLOPWBCXLBWKQA-HOCLYGCPSA-N 2 1 246.398 3.069 20 0 BGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534568 387938318 /nfs/dbraw/zinc/93/83/18/387938318.db2.gz JLOPWBCXLBWKQA-GOEBONIOSA-N 2 1 246.398 3.069 20 0 BGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534570 387938800 /nfs/dbraw/zinc/93/88/00/387938800.db2.gz JLOPWBCXLBWKQA-ZBFHGGJFSA-N 2 1 246.398 3.069 20 0 BGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534572 387937337 /nfs/dbraw/zinc/93/73/37/387937337.db2.gz JLOPWBCXLBWKQA-GDBMZVCRSA-N 2 1 246.398 3.069 20 0 BGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCCCCCC2)C1 ZINC000044535168 640399346 /nfs/dbraw/zinc/39/93/46/640399346.db2.gz DTHUNUSCAHTBDO-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCCCCCC2)C1 ZINC000044535170 640398505 /nfs/dbraw/zinc/39/85/05/640398505.db2.gz DTHUNUSCAHTBDO-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535539 640402532 /nfs/dbraw/zinc/40/25/32/640402532.db2.gz SPMBWWJMIXKAPO-CABCVRRESA-N 2 1 240.435 3.277 20 0 BGADMP CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535541 640400605 /nfs/dbraw/zinc/40/06/05/640400605.db2.gz SPMBWWJMIXKAPO-GJZGRUSLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044535543 640403059 /nfs/dbraw/zinc/40/30/59/640403059.db2.gz SPMBWWJMIXKAPO-HUUCEWRRSA-N 2 1 240.435 3.277 20 0 BGADMP CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044535545 640401730 /nfs/dbraw/zinc/40/17/30/640401730.db2.gz SPMBWWJMIXKAPO-LSDHHAIUSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535605 387937904 /nfs/dbraw/zinc/93/79/04/387937904.db2.gz WQDBRZXAATZFSM-SOUVJXGZSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535609 387937872 /nfs/dbraw/zinc/93/78/72/387937872.db2.gz WQDBRZXAATZFSM-KKUMJFAQSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000045045963 384665706 /nfs/dbraw/zinc/66/57/06/384665706.db2.gz HQASABCIKZTRMC-CZUORRHYSA-N 2 1 246.398 3.122 20 0 BGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000045045965 384664268 /nfs/dbraw/zinc/66/42/68/384664268.db2.gz HQASABCIKZTRMC-XJKSGUPXSA-N 2 1 246.398 3.122 20 0 BGADMP CC(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000045045967 384665905 /nfs/dbraw/zinc/66/59/05/384665905.db2.gz HQASABCIKZTRMC-CJNGLKHVSA-N 2 1 246.398 3.122 20 0 BGADMP CC(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000045045969 384665650 /nfs/dbraw/zinc/66/56/50/384665650.db2.gz HQASABCIKZTRMC-BBRMVZONSA-N 2 1 246.398 3.122 20 0 BGADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073121 640496674 /nfs/dbraw/zinc/49/66/74/640496674.db2.gz HTKRWYUQPZMTRL-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000045073122 640497086 /nfs/dbraw/zinc/49/70/86/640497086.db2.gz HTKRWYUQPZMTRL-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000045089806 643551520 /nfs/dbraw/zinc/55/15/20/643551520.db2.gz QSFCLYPGXRBDRF-HNNXBMFYSA-N 2 1 238.419 3.160 20 0 BGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045089808 641610157 /nfs/dbraw/zinc/61/01/57/641610157.db2.gz QSFCLYPGXRBDRF-OAHLLOKOSA-N 2 1 238.419 3.160 20 0 BGADMP CCCC(CCC)[NH2+][C@@H](C)C[NH+](CC)CC ZINC000045689618 322844456 /nfs/dbraw/zinc/84/44/56/322844456.db2.gz JYYWMQUIYZJDPL-ZDUSSCGKSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC(CCC)[NH2+][C@H](C)C[NH+](CC)CC ZINC000045689621 322844517 /nfs/dbraw/zinc/84/45/17/322844517.db2.gz JYYWMQUIYZJDPL-CYBMUJFWSA-N 2 1 228.424 3.275 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCCCCC1 ZINC000045689892 322844523 /nfs/dbraw/zinc/84/45/23/322844523.db2.gz XMLIKPRWWRMYBP-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCCCCC1 ZINC000045689895 386549441 /nfs/dbraw/zinc/54/94/41/386549441.db2.gz XMLIKPRWWRMYBP-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000045689910 640639086 /nfs/dbraw/zinc/63/90/86/640639086.db2.gz UEEQBYNIJLBKSI-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCCCCCC1 ZINC000045689913 640639512 /nfs/dbraw/zinc/63/95/12/640639512.db2.gz UEEQBYNIJLBKSI-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CCC1CCC([NH2+][C@@H](C)C[NH+](CC)CC)CC1 ZINC000045689916 538992902 /nfs/dbraw/zinc/99/29/02/538992902.db2.gz QQFANERNQPNYBH-NFOMZHRRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC1CCC([NH2+][C@H](C)C[NH+](CC)CC)CC1 ZINC000045689919 538993178 /nfs/dbraw/zinc/99/31/78/538993178.db2.gz QQFANERNQPNYBH-WLYUNCDWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000045689989 538992696 /nfs/dbraw/zinc/99/26/96/538992696.db2.gz OZNQAYHMCHIBIU-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000045691262 169785889 /nfs/dbraw/zinc/78/58/89/169785889.db2.gz HGOWVEYTDMJUJI-UONOGXRCSA-N 2 1 228.424 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000045691265 538992875 /nfs/dbraw/zinc/99/28/75/538992875.db2.gz HGOWVEYTDMJUJI-KBPBESRZSA-N 2 1 228.424 3.131 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCC(C)C ZINC000045691268 538992926 /nfs/dbraw/zinc/99/29/26/538992926.db2.gz HGOWVEYTDMJUJI-ZIAGYGMSSA-N 2 1 228.424 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCC(C)C ZINC000045691271 582576686 /nfs/dbraw/zinc/57/66/86/582576686.db2.gz HGOWVEYTDMJUJI-KGLIPLIRSA-N 2 1 228.424 3.131 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@@H](C)C[NH+](CC)CC ZINC000045691462 640638772 /nfs/dbraw/zinc/63/87/72/640638772.db2.gz FAWALOQVHCWVKI-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H](C)C[NH+](CC)CC ZINC000045691465 640638764 /nfs/dbraw/zinc/63/87/64/640638764.db2.gz FAWALOQVHCWVKI-KBPBESRZSA-N 2 1 228.424 3.275 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@H](C)C[NH+](CC)CC ZINC000045691468 640638797 /nfs/dbraw/zinc/63/87/97/640638797.db2.gz FAWALOQVHCWVKI-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H](C)C[NH+](CC)CC ZINC000045691470 640639172 /nfs/dbraw/zinc/63/91/72/640639172.db2.gz FAWALOQVHCWVKI-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000045691596 322844630 /nfs/dbraw/zinc/84/46/30/322844630.db2.gz CIRGEEOCMUMEKN-HUUCEWRRSA-N 2 1 248.414 3.110 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000045691599 538992931 /nfs/dbraw/zinc/99/29/31/538992931.db2.gz CIRGEEOCMUMEKN-CABCVRRESA-N 2 1 248.414 3.110 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000045691602 538992953 /nfs/dbraw/zinc/99/29/53/538992953.db2.gz CIRGEEOCMUMEKN-LSDHHAIUSA-N 2 1 248.414 3.110 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000045691605 538992666 /nfs/dbraw/zinc/99/26/66/538992666.db2.gz CIRGEEOCMUMEKN-GJZGRUSLSA-N 2 1 248.414 3.110 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000045692805 488021523 /nfs/dbraw/zinc/02/15/23/488021523.db2.gz ULZJSWNHHBXNNZ-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000045692808 488021738 /nfs/dbraw/zinc/02/17/38/488021738.db2.gz ULZJSWNHHBXNNZ-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000045692810 322844636 /nfs/dbraw/zinc/84/46/36/322844636.db2.gz ULZJSWNHHBXNNZ-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000045692813 488021487 /nfs/dbraw/zinc/02/14/87/488021487.db2.gz ULZJSWNHHBXNNZ-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCCCCC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000049330452 641715140 /nfs/dbraw/zinc/71/51/40/641715140.db2.gz FPFLUEVIRLAZDG-CYBMUJFWSA-N 2 1 237.391 3.140 20 0 BGADMP CCCCCC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000049330454 641714258 /nfs/dbraw/zinc/71/42/58/641714258.db2.gz FPFLUEVIRLAZDG-ZDUSSCGKSA-N 2 1 237.391 3.140 20 0 BGADMP CCCC1CCC([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000049545190 358694600 /nfs/dbraw/zinc/69/46/00/358694600.db2.gz SLJMSJCIZCOENS-UHFFFAOYSA-N 2 1 249.402 3.140 20 0 BGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000049633100 384552676 /nfs/dbraw/zinc/55/26/76/384552676.db2.gz AYSBGLDQWKLCIS-HOCLYGCPSA-N 2 1 246.398 3.212 20 0 BGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000049633101 384552242 /nfs/dbraw/zinc/55/22/42/384552242.db2.gz AYSBGLDQWKLCIS-ZBFHGGJFSA-N 2 1 246.398 3.212 20 0 BGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000049633102 384555015 /nfs/dbraw/zinc/55/50/15/384555015.db2.gz AYSBGLDQWKLCIS-GOEBONIOSA-N 2 1 246.398 3.212 20 0 BGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000049633103 384553238 /nfs/dbraw/zinc/55/32/38/384553238.db2.gz AYSBGLDQWKLCIS-GDBMZVCRSA-N 2 1 246.398 3.212 20 0 BGADMP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000049708383 169281960 /nfs/dbraw/zinc/28/19/60/169281960.db2.gz QQKGMRKLJQQYSA-GDBMZVCRSA-N 2 1 246.398 3.039 20 0 BGADMP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000049708383 169281959 /nfs/dbraw/zinc/28/19/59/169281959.db2.gz QQKGMRKLJQQYSA-GDBMZVCRSA-N 2 1 246.398 3.039 20 0 BGADMP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000049708384 169291759 /nfs/dbraw/zinc/29/17/59/169291759.db2.gz QQKGMRKLJQQYSA-ZBFHGGJFSA-N 2 1 246.398 3.039 20 0 BGADMP CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000049708384 169291757 /nfs/dbraw/zinc/29/17/57/169291757.db2.gz QQKGMRKLJQQYSA-ZBFHGGJFSA-N 2 1 246.398 3.039 20 0 BGADMP C[C@@H](c1cccs1)[N@@H+](C)CCCCCC[NH3+] ZINC000049717096 643230590 /nfs/dbraw/zinc/23/05/90/643230590.db2.gz ZIHWIRJEUZPFRW-LBPRGKRZSA-N 2 1 240.416 3.260 20 0 BGADMP C[C@H](c1cccs1)[N@@H+](C)CCCCCC[NH3+] ZINC000049717097 643230700 /nfs/dbraw/zinc/23/07/00/643230700.db2.gz ZIHWIRJEUZPFRW-GFCCVEGCSA-N 2 1 240.416 3.260 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000049800091 358700311 /nfs/dbraw/zinc/70/03/11/358700311.db2.gz UFYGBRNPGOHSKN-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000049800093 358700472 /nfs/dbraw/zinc/70/04/72/358700472.db2.gz UFYGBRNPGOHSKN-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245414 643660716 /nfs/dbraw/zinc/66/07/16/643660716.db2.gz POALSKYJYKVXGZ-ZIAGYGMSSA-N 2 1 246.398 3.152 20 0 BGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245415 643661521 /nfs/dbraw/zinc/66/15/21/643661521.db2.gz POALSKYJYKVXGZ-UONOGXRCSA-N 2 1 246.398 3.152 20 0 BGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccsc1 ZINC000050338112 384617827 /nfs/dbraw/zinc/61/78/27/384617827.db2.gz VSILJIZCIRXPRN-LBPRGKRZSA-N 2 1 240.416 3.131 20 0 BGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccsc1 ZINC000050338114 384617836 /nfs/dbraw/zinc/61/78/36/384617836.db2.gz VSILJIZCIRXPRN-GFCCVEGCSA-N 2 1 240.416 3.131 20 0 BGADMP C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1C ZINC000050566823 641180984 /nfs/dbraw/zinc/18/09/84/641180984.db2.gz VHBYYEIAKYFDOR-ZIAGYGMSSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCCCCCC[NH3+] ZINC000050566824 641181217 /nfs/dbraw/zinc/18/12/17/641181217.db2.gz VHBYYEIAKYFDOR-UONOGXRCSA-N 2 1 226.408 3.016 20 0 BGADMP C[N@@H+](CCCC1CC[NH2+]CC1)C1CCCCC1 ZINC000050952389 411268779 /nfs/dbraw/zinc/26/87/79/411268779.db2.gz XBLYTEWFLWQILI-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000050952459 409933309 /nfs/dbraw/zinc/93/33/09/409933309.db2.gz KHJGRLARVNUWKI-OKILXGFUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050952545 411269156 /nfs/dbraw/zinc/26/91/56/411269156.db2.gz NUKOFUDMGSFKSR-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050952546 411269490 /nfs/dbraw/zinc/26/94/90/411269490.db2.gz NUKOFUDMGSFKSR-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP CCCC[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000050953356 411269044 /nfs/dbraw/zinc/26/90/44/411269044.db2.gz YENPKSKYYWFITC-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)C[N@@H+](CCCC1CC[NH2+]CC1)C(C)C ZINC000050953699 409932190 /nfs/dbraw/zinc/93/21/90/409932190.db2.gz PUMPALKJYNLCAV-UHFFFAOYSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H]([N@@H+](C)CCCC1CC[NH2+]CC1)C(C)(C)C ZINC000050953800 411269252 /nfs/dbraw/zinc/26/92/52/411269252.db2.gz AEGCOHOTVCXFPM-ZDUSSCGKSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H]([N@@H+](C)CCCC1CC[NH2+]CC1)C(C)(C)C ZINC000050953802 411269713 /nfs/dbraw/zinc/26/97/13/411269713.db2.gz AEGCOHOTVCXFPM-CYBMUJFWSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000051212089 169255163 /nfs/dbraw/zinc/25/51/63/169255163.db2.gz YXEWQHGXSCBDHB-UHFFFAOYSA-N 2 1 248.414 3.144 20 0 BGADMP CC(C)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000051212091 167097265 /nfs/dbraw/zinc/09/72/65/167097265.db2.gz UBTIDMIUJBSBGQ-UHFFFAOYSA-N 2 1 248.414 3.143 20 0 BGADMP C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])[C@H](C)C1 ZINC000051746696 631893804 /nfs/dbraw/zinc/89/38/04/631893804.db2.gz GPTPVUSEAWMHKB-ZIAGYGMSSA-N 2 1 226.408 3.016 20 0 BGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCCCC1 ZINC000051919056 386873147 /nfs/dbraw/zinc/87/31/47/386873147.db2.gz AMHGNWIHWLAMBW-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCCCCC1 ZINC000051919059 172777664 /nfs/dbraw/zinc/77/76/64/172777664.db2.gz AMHGNWIHWLAMBW-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CCC(CC)C[N@@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC000051919154 358767648 /nfs/dbraw/zinc/76/76/48/358767648.db2.gz TYGUTXSQNYIZGK-HNNXBMFYSA-N 2 1 240.435 3.134 20 0 BGADMP CCC(CC)C[N@@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC000051919156 358767828 /nfs/dbraw/zinc/76/78/28/358767828.db2.gz TYGUTXSQNYIZGK-OAHLLOKOSA-N 2 1 240.435 3.134 20 0 BGADMP CCCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000051919290 358767760 /nfs/dbraw/zinc/76/77/60/358767760.db2.gz WILGDFSNQPUNAP-HNNXBMFYSA-N 2 1 240.435 3.277 20 0 BGADMP CCCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C(C)C ZINC000051919292 358767486 /nfs/dbraw/zinc/76/74/86/358767486.db2.gz WILGDFSNQPUNAP-OAHLLOKOSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(C)C)CC1 ZINC000052209720 350966201 /nfs/dbraw/zinc/96/62/01/350966201.db2.gz MWEPADSLZPFDIR-UHFFFAOYSA-N 2 1 240.435 3.086 20 0 BGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCCCC1 ZINC000052335100 322854298 /nfs/dbraw/zinc/85/42/98/322854298.db2.gz NQVILKYZSZZPPA-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCCCC1 ZINC000052335103 384720046 /nfs/dbraw/zinc/72/00/46/384720046.db2.gz NQVILKYZSZZPPA-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)C1CCCCC1 ZINC000052338537 387804721 /nfs/dbraw/zinc/80/47/21/387804721.db2.gz PKRYHFOKYXMJGD-HNNXBMFYSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)C1CCCCC1 ZINC000052338540 387805548 /nfs/dbraw/zinc/80/55/48/387805548.db2.gz PKRYHFOKYXMJGD-OAHLLOKOSA-N 2 1 249.402 3.140 20 0 BGADMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000052417580 167004441 /nfs/dbraw/zinc/00/44/41/167004441.db2.gz NZIQCMGKDLDUBB-OAHLLOKOSA-N 2 1 248.414 3.143 20 0 BGADMP CC(C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000052419533 167119870 /nfs/dbraw/zinc/11/98/70/167119870.db2.gz XMXHATCERDRWSJ-UHFFFAOYSA-N 2 1 234.387 3.025 20 0 BGADMP CC(C)C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000052419536 167010810 /nfs/dbraw/zinc/01/08/10/167010810.db2.gz UAJXXKWXNWMXCP-UHFFFAOYSA-N 2 1 248.414 3.272 20 0 BGADMP CC(C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000052419699 167120659 /nfs/dbraw/zinc/12/06/59/167120659.db2.gz ZYZBEZCCALXNFU-UHFFFAOYSA-N 2 1 234.387 3.025 20 0 BGADMP CC(C)C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000052419730 167009947 /nfs/dbraw/zinc/00/99/47/167009947.db2.gz QRGIEGJSYDSTQE-UHFFFAOYSA-N 2 1 248.414 3.272 20 0 BGADMP C[N@@H+](CC[NH2+]C1CCCCC1)C1CCCCC1 ZINC000053341546 384717843 /nfs/dbraw/zinc/71/78/43/384717843.db2.gz XMEIDGWVCKUXTK-UHFFFAOYSA-N 2 1 238.419 3.173 20 0 BGADMP C[N@H+](CC[NH2+]C1CCCCC1)C1CCCCC1 ZINC000053341546 384717833 /nfs/dbraw/zinc/71/78/33/384717833.db2.gz XMEIDGWVCKUXTK-UHFFFAOYSA-N 2 1 238.419 3.173 20 0 BGADMP CC[N@@H+](CC[NH2+]C1CCCCCC1)C(C)C ZINC000053341748 384715561 /nfs/dbraw/zinc/71/55/61/384715561.db2.gz AWXFRBDJDLLHPU-UHFFFAOYSA-N 2 1 226.408 3.029 20 0 BGADMP CC[N@H+](CC[NH2+]C1CCCCCC1)C(C)C ZINC000053341748 384715556 /nfs/dbraw/zinc/71/55/56/384715556.db2.gz AWXFRBDJDLLHPU-UHFFFAOYSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+]C1CCCCCC1 ZINC000053341752 384716071 /nfs/dbraw/zinc/71/60/71/384716071.db2.gz VQBWTXNERIHYPN-UHFFFAOYSA-N 2 1 226.408 3.031 20 0 BGADMP CCC[N@H+](CC)CC[NH2+]C1CCCCCC1 ZINC000053341752 384716067 /nfs/dbraw/zinc/71/60/67/384716067.db2.gz VQBWTXNERIHYPN-UHFFFAOYSA-N 2 1 226.408 3.031 20 0 BGADMP C[N@@H+](CC[NH2+]C1CCCCCC1)C1CCCC1 ZINC000053341757 384717892 /nfs/dbraw/zinc/71/78/92/384717892.db2.gz VETVMIFEULZCOK-UHFFFAOYSA-N 2 1 238.419 3.173 20 0 BGADMP C[N@H+](CC[NH2+]C1CCCCCC1)C1CCCC1 ZINC000053341757 384717889 /nfs/dbraw/zinc/71/78/89/384717889.db2.gz VETVMIFEULZCOK-UHFFFAOYSA-N 2 1 238.419 3.173 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCCCCC1 ZINC000053341767 634166499 /nfs/dbraw/zinc/16/64/99/634166499.db2.gz JTHYGPWZUAXSRC-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCCCCC1 ZINC000053341767 634166496 /nfs/dbraw/zinc/16/64/96/634166496.db2.gz JTHYGPWZUAXSRC-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCCCCC1 ZINC000053341769 171306779 /nfs/dbraw/zinc/30/67/79/171306779.db2.gz JTHYGPWZUAXSRC-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCCCCC1 ZINC000053341769 171306776 /nfs/dbraw/zinc/30/67/76/171306776.db2.gz JTHYGPWZUAXSRC-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000053344063 384717265 /nfs/dbraw/zinc/71/72/65/384717265.db2.gz WMRNZLHKRSHRNZ-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H](C)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000053344063 384717260 /nfs/dbraw/zinc/71/72/60/384717260.db2.gz WMRNZLHKRSHRNZ-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000053344064 384716491 /nfs/dbraw/zinc/71/64/91/384716491.db2.gz WMRNZLHKRSHRNZ-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](C)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000053344064 384716482 /nfs/dbraw/zinc/71/64/82/384716482.db2.gz WMRNZLHKRSHRNZ-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCC(CC)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000053344067 384717166 /nfs/dbraw/zinc/71/71/66/384717166.db2.gz UTDVXEVVGGKCGV-UHFFFAOYSA-N 2 1 226.408 3.029 20 0 BGADMP CCC(CC)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000053344067 384717162 /nfs/dbraw/zinc/71/71/62/384717162.db2.gz UTDVXEVVGGKCGV-UHFFFAOYSA-N 2 1 226.408 3.029 20 0 BGADMP C[N@@H+](CC[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC000053344089 384715895 /nfs/dbraw/zinc/71/58/95/384715895.db2.gz AVTMQVXHRGXKFO-UHFFFAOYSA-N 2 1 240.435 3.277 20 0 BGADMP C[N@H+](CC[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC000053344089 384715884 /nfs/dbraw/zinc/71/58/84/384715884.db2.gz AVTMQVXHRGXKFO-UHFFFAOYSA-N 2 1 240.435 3.277 20 0 BGADMP CCC[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1CC ZINC000053375381 384716854 /nfs/dbraw/zinc/71/68/54/384716854.db2.gz BARPOKMMLMGBBB-KGLIPLIRSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1CC ZINC000053375381 384716848 /nfs/dbraw/zinc/71/68/48/384716848.db2.gz BARPOKMMLMGBBB-KGLIPLIRSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1CC ZINC000053375385 384715797 /nfs/dbraw/zinc/71/57/97/384715797.db2.gz BARPOKMMLMGBBB-KBPBESRZSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1CC ZINC000053375385 384715791 /nfs/dbraw/zinc/71/57/91/384715791.db2.gz BARPOKMMLMGBBB-KBPBESRZSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CCC(C)(C)C ZINC000053375515 384716833 /nfs/dbraw/zinc/71/68/33/384716833.db2.gz GIXXKMQJYCYDQQ-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CCC(C)(C)C ZINC000053375515 384716826 /nfs/dbraw/zinc/71/68/26/384716826.db2.gz GIXXKMQJYCYDQQ-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CCC(C)(C)C ZINC000053375518 384717955 /nfs/dbraw/zinc/71/79/55/384717955.db2.gz GIXXKMQJYCYDQQ-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CCC(C)(C)C ZINC000053375518 384717950 /nfs/dbraw/zinc/71/79/50/384717950.db2.gz GIXXKMQJYCYDQQ-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP CC[N@@H+](CC[NH2+][C@@H](C)CCC(C)C)C(C)C ZINC000053376464 358824893 /nfs/dbraw/zinc/82/48/93/358824893.db2.gz FSDLOHCGTXAAOZ-AWEZNQCLSA-N 2 1 228.424 3.131 20 0 BGADMP CC[N@H+](CC[NH2+][C@@H](C)CCC(C)C)C(C)C ZINC000053376464 358824887 /nfs/dbraw/zinc/82/48/87/358824887.db2.gz FSDLOHCGTXAAOZ-AWEZNQCLSA-N 2 1 228.424 3.131 20 0 BGADMP CC[N@@H+](CC[NH2+][C@H](C)CCC(C)C)C(C)C ZINC000053376468 358825306 /nfs/dbraw/zinc/82/53/06/358825306.db2.gz FSDLOHCGTXAAOZ-CQSZACIVSA-N 2 1 228.424 3.131 20 0 BGADMP CC[N@H+](CC[NH2+][C@H](C)CCC(C)C)C(C)C ZINC000053376468 358825304 /nfs/dbraw/zinc/82/53/04/358825304.db2.gz FSDLOHCGTXAAOZ-CQSZACIVSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)CCC(C)C ZINC000053376749 384717467 /nfs/dbraw/zinc/71/74/67/384717467.db2.gz WCWCFRCUQIDZRE-AWEZNQCLSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)CCC(C)C ZINC000053376749 384717461 /nfs/dbraw/zinc/71/74/61/384717461.db2.gz WCWCFRCUQIDZRE-AWEZNQCLSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)CCC(C)C ZINC000053376753 384716650 /nfs/dbraw/zinc/71/66/50/384716650.db2.gz WCWCFRCUQIDZRE-CQSZACIVSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@H](C)CCC(C)C ZINC000053376753 384716642 /nfs/dbraw/zinc/71/66/42/384716642.db2.gz WCWCFRCUQIDZRE-CQSZACIVSA-N 2 1 228.424 3.133 20 0 BGADMP CC1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000053376812 168163418 /nfs/dbraw/zinc/16/34/18/168163418.db2.gz SRURNHGJIDJQFQ-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CC1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000053376812 168163415 /nfs/dbraw/zinc/16/34/15/168163415.db2.gz SRURNHGJIDJQFQ-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000053376836 384717323 /nfs/dbraw/zinc/71/73/23/384717323.db2.gz FARSHFDBSFWYMC-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000053376836 384717315 /nfs/dbraw/zinc/71/73/15/384717315.db2.gz FARSHFDBSFWYMC-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000053376840 384715014 /nfs/dbraw/zinc/71/50/14/384715014.db2.gz FARSHFDBSFWYMC-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000053376840 384715005 /nfs/dbraw/zinc/71/50/05/384715005.db2.gz FARSHFDBSFWYMC-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000053376843 384717702 /nfs/dbraw/zinc/71/77/02/384717702.db2.gz FARSHFDBSFWYMC-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000053376843 384717688 /nfs/dbraw/zinc/71/76/88/384717688.db2.gz FARSHFDBSFWYMC-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000053376846 384716715 /nfs/dbraw/zinc/71/67/15/384716715.db2.gz FARSHFDBSFWYMC-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000053376846 384716707 /nfs/dbraw/zinc/71/67/07/384716707.db2.gz FARSHFDBSFWYMC-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@@H+](CC[NH2+]CC1CCCCC1)C1CCCC1 ZINC000053376918 387818602 /nfs/dbraw/zinc/81/86/02/387818602.db2.gz KCSXAJQMIUXSJA-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@H+](CC[NH2+]CC1CCCCC1)C1CCCC1 ZINC000053376918 387818599 /nfs/dbraw/zinc/81/85/99/387818599.db2.gz KCSXAJQMIUXSJA-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000053376945 358825616 /nfs/dbraw/zinc/82/56/16/358825616.db2.gz NIIAEUAVZHIZGZ-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000053376945 358825614 /nfs/dbraw/zinc/82/56/14/358825614.db2.gz NIIAEUAVZHIZGZ-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000053376948 358824814 /nfs/dbraw/zinc/82/48/14/358824814.db2.gz NIIAEUAVZHIZGZ-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000053376948 358824807 /nfs/dbraw/zinc/82/48/07/358824807.db2.gz NIIAEUAVZHIZGZ-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000053376952 358825284 /nfs/dbraw/zinc/82/52/84/358825284.db2.gz NIIAEUAVZHIZGZ-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000053376952 358825282 /nfs/dbraw/zinc/82/52/82/358825282.db2.gz NIIAEUAVZHIZGZ-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000053376956 358825445 /nfs/dbraw/zinc/82/54/45/358825445.db2.gz NIIAEUAVZHIZGZ-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000053376956 358825444 /nfs/dbraw/zinc/82/54/44/358825444.db2.gz NIIAEUAVZHIZGZ-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000053377059 384716544 /nfs/dbraw/zinc/71/65/44/384716544.db2.gz WXDCUYZPSYVBRM-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000053377059 384716542 /nfs/dbraw/zinc/71/65/42/384716542.db2.gz WXDCUYZPSYVBRM-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000053377062 384717209 /nfs/dbraw/zinc/71/72/09/384717209.db2.gz WXDCUYZPSYVBRM-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000053377062 384717205 /nfs/dbraw/zinc/71/72/05/384717205.db2.gz WXDCUYZPSYVBRM-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCC(C)C ZINC000053377713 384717782 /nfs/dbraw/zinc/71/77/82/384717782.db2.gz UOAGZSSFONOSRJ-UONOGXRCSA-N 2 1 228.424 3.131 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCC(C)C ZINC000053377713 384717776 /nfs/dbraw/zinc/71/77/76/384717776.db2.gz UOAGZSSFONOSRJ-UONOGXRCSA-N 2 1 228.424 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCC(C)C ZINC000053377716 384716682 /nfs/dbraw/zinc/71/66/82/384716682.db2.gz UOAGZSSFONOSRJ-KBPBESRZSA-N 2 1 228.424 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCC(C)C ZINC000053377716 384716679 /nfs/dbraw/zinc/71/66/79/384716679.db2.gz UOAGZSSFONOSRJ-KBPBESRZSA-N 2 1 228.424 3.131 20 0 BGADMP CC(C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000053648838 167113377 /nfs/dbraw/zinc/11/33/77/167113377.db2.gz ZDLNFDSXWTVJED-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000053648840 167115270 /nfs/dbraw/zinc/11/52/70/167115270.db2.gz ZDLNFDSXWTVJED-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H](C)C1CCCC1)C(C)C ZINC000054077278 384730521 /nfs/dbraw/zinc/73/05/21/384730521.db2.gz ISDZHSAFUZLZLY-AWEZNQCLSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H](C)C1CCCC1)C(C)C ZINC000054077279 322855084 /nfs/dbraw/zinc/85/50/84/322855084.db2.gz ISDZHSAFUZLZLY-CQSZACIVSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054240252 323203609 /nfs/dbraw/zinc/20/36/09/323203609.db2.gz JOAWGXJGKGXIDT-CABCVRRESA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054240253 323203523 /nfs/dbraw/zinc/20/35/23/323203523.db2.gz JOAWGXJGKGXIDT-GJZGRUSLSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054240254 323203512 /nfs/dbraw/zinc/20/35/12/323203512.db2.gz JOAWGXJGKGXIDT-HUUCEWRRSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054240255 323203563 /nfs/dbraw/zinc/20/35/63/323203563.db2.gz JOAWGXJGKGXIDT-LSDHHAIUSA-N 2 1 240.435 3.133 20 0 BGADMP C[NH+](C)C1(C[NH2+]CCC(C)(C)C)CCCCC1 ZINC000059208202 384752180 /nfs/dbraw/zinc/75/21/80/384752180.db2.gz SNXJJDDQKZLYGE-UHFFFAOYSA-N 2 1 240.435 3.277 20 0 BGADMP C[NH+](C)C1(C[NH2+]C2CCCCCC2)CCCC1 ZINC000061555296 360368381 /nfs/dbraw/zinc/36/83/81/360368381.db2.gz CLQQGQYRGHDQHL-UHFFFAOYSA-N 2 1 238.419 3.173 20 0 BGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000062010632 176014181 /nfs/dbraw/zinc/01/41/81/176014181.db2.gz XEIDLRPICLEJQE-JTQLQIEISA-N 2 1 240.778 3.070 20 0 BGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000062010632 176014179 /nfs/dbraw/zinc/01/41/79/176014179.db2.gz XEIDLRPICLEJQE-JTQLQIEISA-N 2 1 240.778 3.070 20 0 BGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000062010633 177033192 /nfs/dbraw/zinc/03/31/92/177033192.db2.gz XEIDLRPICLEJQE-SNVBAGLBSA-N 2 1 240.778 3.070 20 0 BGADMP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000062010633 177033191 /nfs/dbraw/zinc/03/31/91/177033191.db2.gz XEIDLRPICLEJQE-SNVBAGLBSA-N 2 1 240.778 3.070 20 0 BGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000062018831 176016580 /nfs/dbraw/zinc/01/65/80/176016580.db2.gz OXXCVLAXRUMYFE-JTQLQIEISA-N 2 1 240.778 3.070 20 0 BGADMP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000062018831 176016579 /nfs/dbraw/zinc/01/65/79/176016579.db2.gz OXXCVLAXRUMYFE-JTQLQIEISA-N 2 1 240.778 3.070 20 0 BGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000062018833 177035802 /nfs/dbraw/zinc/03/58/02/177035802.db2.gz OXXCVLAXRUMYFE-SNVBAGLBSA-N 2 1 240.778 3.070 20 0 BGADMP C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000062018833 177035800 /nfs/dbraw/zinc/03/58/00/177035800.db2.gz OXXCVLAXRUMYFE-SNVBAGLBSA-N 2 1 240.778 3.070 20 0 BGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000063191444 386554131 /nfs/dbraw/zinc/55/41/31/386554131.db2.gz JXDGKFSAIPAFSE-GDBMZVCRSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000063191444 386554128 /nfs/dbraw/zinc/55/41/28/386554128.db2.gz JXDGKFSAIPAFSE-GDBMZVCRSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000063191445 386552038 /nfs/dbraw/zinc/55/20/38/386552038.db2.gz JXDGKFSAIPAFSE-ZBFHGGJFSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000063191445 386552033 /nfs/dbraw/zinc/55/20/33/386552033.db2.gz JXDGKFSAIPAFSE-ZBFHGGJFSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1C ZINC000063191935 386553376 /nfs/dbraw/zinc/55/33/76/386553376.db2.gz CMFQQDBYOPGHKO-GDBMZVCRSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1C ZINC000063191935 386553373 /nfs/dbraw/zinc/55/33/73/386553373.db2.gz CMFQQDBYOPGHKO-GDBMZVCRSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1C ZINC000063191936 386554003 /nfs/dbraw/zinc/55/40/03/386554003.db2.gz CMFQQDBYOPGHKO-ZBFHGGJFSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1C ZINC000063191936 386553998 /nfs/dbraw/zinc/55/39/98/386553998.db2.gz CMFQQDBYOPGHKO-ZBFHGGJFSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1C ZINC000063192171 179073460 /nfs/dbraw/zinc/07/34/60/179073460.db2.gz RESMGTDVDVETIO-GDBMZVCRSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1C ZINC000063192171 179073459 /nfs/dbraw/zinc/07/34/59/179073459.db2.gz RESMGTDVDVETIO-GDBMZVCRSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1C ZINC000063192172 179073674 /nfs/dbraw/zinc/07/36/74/179073674.db2.gz RESMGTDVDVETIO-ZBFHGGJFSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1C ZINC000063192172 179073669 /nfs/dbraw/zinc/07/36/69/179073669.db2.gz RESMGTDVDVETIO-ZBFHGGJFSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063192185 641142386 /nfs/dbraw/zinc/14/23/86/641142386.db2.gz GXJSDHZQSQQIBG-GDBMZVCRSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063192185 641142377 /nfs/dbraw/zinc/14/23/77/641142377.db2.gz GXJSDHZQSQQIBG-GDBMZVCRSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cc(C)cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063192186 641142928 /nfs/dbraw/zinc/14/29/28/641142928.db2.gz GXJSDHZQSQQIBG-ZBFHGGJFSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063192186 641142924 /nfs/dbraw/zinc/14/29/24/641142924.db2.gz GXJSDHZQSQQIBG-ZBFHGGJFSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063192215 386553801 /nfs/dbraw/zinc/55/38/01/386553801.db2.gz YUOPWNIYKMXDRN-GDBMZVCRSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063192215 386553793 /nfs/dbraw/zinc/55/37/93/386553793.db2.gz YUOPWNIYKMXDRN-GDBMZVCRSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063192216 386553978 /nfs/dbraw/zinc/55/39/78/386553978.db2.gz YUOPWNIYKMXDRN-ZBFHGGJFSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063192216 386553972 /nfs/dbraw/zinc/55/39/72/386553972.db2.gz YUOPWNIYKMXDRN-ZBFHGGJFSA-N 2 1 246.398 3.005 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000068986890 324917509 /nfs/dbraw/zinc/91/75/09/324917509.db2.gz NWXUKXHCLQYKIK-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000068986892 388818620 /nfs/dbraw/zinc/81/86/20/388818620.db2.gz NWXUKXHCLQYKIK-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000069373445 388835032 /nfs/dbraw/zinc/83/50/32/388835032.db2.gz FWPNLJDXQPNBQU-RRFJBIMHSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069373445 388835027 /nfs/dbraw/zinc/83/50/27/388835027.db2.gz FWPNLJDXQPNBQU-RRFJBIMHSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000069373453 388835722 /nfs/dbraw/zinc/83/57/22/388835722.db2.gz FWPNLJDXQPNBQU-SOUVJXGZSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069373453 388835720 /nfs/dbraw/zinc/83/57/20/388835720.db2.gz FWPNLJDXQPNBQU-SOUVJXGZSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000069376319 388835541 /nfs/dbraw/zinc/83/55/41/388835541.db2.gz BQPUPIMFCOPTFR-CYBMUJFWSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000069376323 324942077 /nfs/dbraw/zinc/94/20/77/324942077.db2.gz BQPUPIMFCOPTFR-ZDUSSCGKSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000069376840 323114651 /nfs/dbraw/zinc/11/46/51/323114651.db2.gz SQYIVVQLQKNAAG-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[C@H](CC)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000069376847 323114619 /nfs/dbraw/zinc/11/46/19/323114619.db2.gz SQYIVVQLQKNAAG-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000069376853 323114606 /nfs/dbraw/zinc/11/46/06/323114606.db2.gz SQYIVVQLQKNAAG-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[C@H](CC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000069376857 323114625 /nfs/dbraw/zinc/11/46/25/323114625.db2.gz SQYIVVQLQKNAAG-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000069378240 349946526 /nfs/dbraw/zinc/94/65/26/349946526.db2.gz WPNNVBCDJLQRLK-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@H](CC)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000069378244 349946559 /nfs/dbraw/zinc/94/65/59/349946559.db2.gz WPNNVBCDJLQRLK-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000069378249 349946551 /nfs/dbraw/zinc/94/65/51/349946551.db2.gz WPNNVBCDJLQRLK-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@H](CC)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000069378254 349946357 /nfs/dbraw/zinc/94/63/57/349946357.db2.gz WPNNVBCDJLQRLK-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@@H](CC)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000069379193 388836169 /nfs/dbraw/zinc/83/61/69/388836169.db2.gz BSYLEJAYYBWXHD-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@@H](CC)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000069379193 388836164 /nfs/dbraw/zinc/83/61/64/388836164.db2.gz BSYLEJAYYBWXHD-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](CC)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000069379198 398104007 /nfs/dbraw/zinc/10/40/07/398104007.db2.gz BSYLEJAYYBWXHD-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](CC)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000069379198 398104005 /nfs/dbraw/zinc/10/40/05/398104005.db2.gz BSYLEJAYYBWXHD-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CC1(C)CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000069794574 642906966 /nfs/dbraw/zinc/90/69/66/642906966.db2.gz RSVWCZDBQYUKMR-UHFFFAOYSA-N 2 1 226.408 3.018 20 0 BGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1C ZINC000070148593 179073369 /nfs/dbraw/zinc/07/33/69/179073369.db2.gz UHAFTUUGOIKSQQ-MRXNPFEDSA-N 2 1 246.398 3.007 20 0 BGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1C ZINC000070148594 179074850 /nfs/dbraw/zinc/07/48/50/179074850.db2.gz UHAFTUUGOIKSQQ-INIZCTEOSA-N 2 1 246.398 3.007 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c(C)c1 ZINC000070148623 398220849 /nfs/dbraw/zinc/22/08/49/398220849.db2.gz WRGCGDXPHNSXNS-MRXNPFEDSA-N 2 1 246.398 3.007 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c(C)c1 ZINC000070148624 398220859 /nfs/dbraw/zinc/22/08/59/398220859.db2.gz WRGCGDXPHNSXNS-INIZCTEOSA-N 2 1 246.398 3.007 20 0 BGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070158192 368761442 /nfs/dbraw/zinc/76/14/42/368761442.db2.gz GHABTGTYFDEESD-HUUCEWRRSA-N 2 1 246.398 3.117 20 0 BGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070158194 368760461 /nfs/dbraw/zinc/76/04/61/368760461.db2.gz GHABTGTYFDEESD-LSDHHAIUSA-N 2 1 246.398 3.117 20 0 BGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169684 353255453 /nfs/dbraw/zinc/25/54/53/353255453.db2.gz FVJBHRXWLYNHMQ-ZBFHGGJFSA-N 2 1 246.398 3.199 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169685 171598233 /nfs/dbraw/zinc/59/82/33/171598233.db2.gz FVJBHRXWLYNHMQ-GDBMZVCRSA-N 2 1 246.398 3.199 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070171536 387046294 /nfs/dbraw/zinc/04/62/94/387046294.db2.gz YHDZXJLLGHLYBS-VNQPRFMTSA-N 2 1 246.398 3.197 20 0 BGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171992 368760625 /nfs/dbraw/zinc/76/06/25/368760625.db2.gz MCOGVTWWJAAHJT-YCPHGPKFSA-N 2 1 246.398 3.115 20 0 BGADMP CCC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000070280590 359048888 /nfs/dbraw/zinc/04/88/88/359048888.db2.gz HRDKFHBNLOLRCO-HZPDHXFCSA-N 2 1 246.398 3.069 20 0 BGADMP CC(C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000070280786 359049011 /nfs/dbraw/zinc/04/90/11/359049011.db2.gz DEXJDXHVMVZKBO-HZPDHXFCSA-N 2 1 246.398 3.068 20 0 BGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC000070307037 359048990 /nfs/dbraw/zinc/04/89/90/359048990.db2.gz WHPMYWYBGAEKIE-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC000070307038 350530310 /nfs/dbraw/zinc/53/03/10/350530310.db2.gz WHPMYWYBGAEKIE-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC000070307039 350530384 /nfs/dbraw/zinc/53/03/84/350530384.db2.gz WHPMYWYBGAEKIE-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC000070307040 350530404 /nfs/dbraw/zinc/53/04/04/350530404.db2.gz WHPMYWYBGAEKIE-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1c[nH+]ccc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000070489448 359057547 /nfs/dbraw/zinc/05/75/47/359057547.db2.gz AUANHNYQFNRAIH-AWEZNQCLSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1c[nH+]ccc1NCCC[N@@H+]1CCCC[C@H]1C ZINC000070489449 359057640 /nfs/dbraw/zinc/05/76/40/359057640.db2.gz AUANHNYQFNRAIH-CQSZACIVSA-N 2 1 247.386 3.066 20 0 BGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)C1 ZINC000070539483 350018653 /nfs/dbraw/zinc/01/86/53/350018653.db2.gz NBTCPFHYXOQTDI-BARDWOONSA-N 2 1 238.419 3.014 20 0 BGADMP CC[C@@H]1CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC000070613850 643050650 /nfs/dbraw/zinc/05/06/50/643050650.db2.gz ODEJLTAWSCWDPQ-CQSZACIVSA-N 2 1 226.408 3.018 20 0 BGADMP CC[C@H]1CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC000070613851 643051107 /nfs/dbraw/zinc/05/11/07/643051107.db2.gz ODEJLTAWSCWDPQ-AWEZNQCLSA-N 2 1 226.408 3.018 20 0 BGADMP CCCC[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000070945333 643395685 /nfs/dbraw/zinc/39/56/85/643395685.db2.gz ZQDZIBBVTALEOG-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000070945333 643395678 /nfs/dbraw/zinc/39/56/78/643395678.db2.gz ZQDZIBBVTALEOG-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000070945336 643087308 /nfs/dbraw/zinc/08/73/08/643087308.db2.gz ZQDZIBBVTALEOG-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000070945336 643087302 /nfs/dbraw/zinc/08/73/02/643087302.db2.gz ZQDZIBBVTALEOG-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[NH+](CC)CC ZINC000070978297 325047961 /nfs/dbraw/zinc/04/79/61/325047961.db2.gz JLLZRNTZNDBDDS-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C[NH+](CC)CC ZINC000070978299 325047744 /nfs/dbraw/zinc/04/77/44/325047744.db2.gz JLLZRNTZNDBDDS-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000071119984 535822054 /nfs/dbraw/zinc/82/20/54/535822054.db2.gz KGNWRYIYKINIFU-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000071119988 359072145 /nfs/dbraw/zinc/07/21/45/359072145.db2.gz KGNWRYIYKINIFU-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000071119990 359072504 /nfs/dbraw/zinc/07/25/04/359072504.db2.gz KGNWRYIYKINIFU-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000071119997 359072199 /nfs/dbraw/zinc/07/21/99/359072199.db2.gz KGNWRYIYKINIFU-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+](CC)CC)C1 ZINC000071121109 325056685 /nfs/dbraw/zinc/05/66/85/325056685.db2.gz BBELTWZUBGMYDT-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+](CC)CC)C1 ZINC000071121119 325056725 /nfs/dbraw/zinc/05/67/25/325056725.db2.gz BBELTWZUBGMYDT-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000071199292 343631152 /nfs/dbraw/zinc/63/11/52/343631152.db2.gz TYYWPYBDRRQBCA-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000071199292 343631150 /nfs/dbraw/zinc/63/11/50/343631150.db2.gz TYYWPYBDRRQBCA-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000071199293 343630937 /nfs/dbraw/zinc/63/09/37/343630937.db2.gz TYYWPYBDRRQBCA-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[NH2+][C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000071199293 343630934 /nfs/dbraw/zinc/63/09/34/343630934.db2.gz TYYWPYBDRRQBCA-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC(CCC)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000071376567 388890210 /nfs/dbraw/zinc/89/02/10/388890210.db2.gz MPILZPQERGABAS-UHFFFAOYSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC(CCC)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000071376567 388890203 /nfs/dbraw/zinc/89/02/03/388890203.db2.gz MPILZPQERGABAS-UHFFFAOYSA-N 2 1 240.435 3.419 20 0 BGADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCCC1 ZINC000071377087 325071886 /nfs/dbraw/zinc/07/18/86/325071886.db2.gz OEOQWDYLLITPKK-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCCC1 ZINC000071377087 325071884 /nfs/dbraw/zinc/07/18/84/325071884.db2.gz OEOQWDYLLITPKK-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCCC1 ZINC000071377088 325072014 /nfs/dbraw/zinc/07/20/14/325072014.db2.gz OEOQWDYLLITPKK-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCCC1 ZINC000071377088 325072010 /nfs/dbraw/zinc/07/20/10/325072010.db2.gz OEOQWDYLLITPKK-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC1CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000072785949 135389890 /nfs/dbraw/zinc/38/98/90/135389890.db2.gz IFPVDSFLRAONKB-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000072785952 325173536 /nfs/dbraw/zinc/17/35/36/325173536.db2.gz JMGWGSJEPLZACS-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000072785954 325173244 /nfs/dbraw/zinc/17/32/44/325173244.db2.gz JMGWGSJEPLZACS-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000072785955 325173711 /nfs/dbraw/zinc/17/37/11/325173711.db2.gz JMGWGSJEPLZACS-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000072785957 325173238 /nfs/dbraw/zinc/17/32/38/325173238.db2.gz JMGWGSJEPLZACS-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656456 167135097 /nfs/dbraw/zinc/13/50/97/167135097.db2.gz LRCARQODWZIDBN-GDBMZVCRSA-N 2 1 246.398 3.038 20 0 BGADMP CC(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656456 167135095 /nfs/dbraw/zinc/13/50/95/167135095.db2.gz LRCARQODWZIDBN-GDBMZVCRSA-N 2 1 246.398 3.038 20 0 BGADMP CC(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000073656458 167133633 /nfs/dbraw/zinc/13/36/33/167133633.db2.gz LRCARQODWZIDBN-GOEBONIOSA-N 2 1 246.398 3.038 20 0 BGADMP CC(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000073656458 167133629 /nfs/dbraw/zinc/13/36/29/167133629.db2.gz LRCARQODWZIDBN-GOEBONIOSA-N 2 1 246.398 3.038 20 0 BGADMP CC(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656460 167139424 /nfs/dbraw/zinc/13/94/24/167139424.db2.gz LRCARQODWZIDBN-ZBFHGGJFSA-N 2 1 246.398 3.038 20 0 BGADMP CC(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656460 167139423 /nfs/dbraw/zinc/13/94/23/167139423.db2.gz LRCARQODWZIDBN-ZBFHGGJFSA-N 2 1 246.398 3.038 20 0 BGADMP CC(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000073656461 167141143 /nfs/dbraw/zinc/14/11/43/167141143.db2.gz LRCARQODWZIDBN-HOCLYGCPSA-N 2 1 246.398 3.038 20 0 BGADMP CC(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000073656461 167141141 /nfs/dbraw/zinc/14/11/41/167141141.db2.gz LRCARQODWZIDBN-HOCLYGCPSA-N 2 1 246.398 3.038 20 0 BGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000076453466 169208540 /nfs/dbraw/zinc/20/85/40/169208540.db2.gz LLMVVESOSBKROC-LSDHHAIUSA-N 2 1 246.398 3.069 20 0 BGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000076453469 169206875 /nfs/dbraw/zinc/20/68/75/169206875.db2.gz LLMVVESOSBKROC-GJZGRUSLSA-N 2 1 246.398 3.069 20 0 BGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000076453780 169207086 /nfs/dbraw/zinc/20/70/86/169207086.db2.gz BBNVKAKONAARHF-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000076453785 169206269 /nfs/dbraw/zinc/20/62/69/169206269.db2.gz BBNVKAKONAARHF-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCC)CC1 ZINC000076776612 370351261 /nfs/dbraw/zinc/35/12/61/370351261.db2.gz IFYNOEXJWBGCSQ-UHFFFAOYSA-N 2 1 240.435 3.230 20 0 BGADMP CC(C)[C@@H]1CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC000079355394 644175981 /nfs/dbraw/zinc/17/59/81/644175981.db2.gz OJLIYMAUNVJAKV-OAHLLOKOSA-N 2 1 240.435 3.264 20 0 BGADMP CC(C)[C@H]1CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC000079355399 644175944 /nfs/dbraw/zinc/17/59/44/644175944.db2.gz OJLIYMAUNVJAKV-HNNXBMFYSA-N 2 1 240.435 3.264 20 0 BGADMP CC[NH+]1CCC([NH2+]C2CCC(C)(C)CC2)CC1 ZINC000079627606 135397496 /nfs/dbraw/zinc/39/74/96/135397496.db2.gz HQGWEEYWADOAQG-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000079653803 135342739 /nfs/dbraw/zinc/34/27/39/135342739.db2.gz DIDROUQKIGFTTQ-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000079653807 535588942 /nfs/dbraw/zinc/58/89/42/535588942.db2.gz DIDROUQKIGFTTQ-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000079978388 135398071 /nfs/dbraw/zinc/39/80/71/135398071.db2.gz NJPUJGMCUSPDTG-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000079978393 136273868 /nfs/dbraw/zinc/27/38/68/136273868.db2.gz NJPUJGMCUSPDTG-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000079987886 490505383 /nfs/dbraw/zinc/50/53/83/490505383.db2.gz BSVPIEVBBWXFIO-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000079987887 490505254 /nfs/dbraw/zinc/50/52/54/490505254.db2.gz BSVPIEVBBWXFIO-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000079987889 490505316 /nfs/dbraw/zinc/50/53/16/490505316.db2.gz BSVPIEVBBWXFIO-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000079987891 490504945 /nfs/dbraw/zinc/50/49/45/490504945.db2.gz BSVPIEVBBWXFIO-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1 ZINC000080425615 135410136 /nfs/dbraw/zinc/41/01/36/135410136.db2.gz COPQDTNZLNABIR-CABCVRRESA-N 2 1 240.435 3.274 20 0 BGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000080426597 387990308 /nfs/dbraw/zinc/99/03/08/387990308.db2.gz DYRNDARCHZXUAJ-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000080426603 387989367 /nfs/dbraw/zinc/98/93/67/387989367.db2.gz DYRNDARCHZXUAJ-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000080427185 388558853 /nfs/dbraw/zinc/55/88/53/388558853.db2.gz OTRTTWBUSUZWIG-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000080427191 388558136 /nfs/dbraw/zinc/55/81/36/388558136.db2.gz OTRTTWBUSUZWIG-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000080427192 325480463 /nfs/dbraw/zinc/48/04/63/325480463.db2.gz OTRTTWBUSUZWIG-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000080427196 325480503 /nfs/dbraw/zinc/48/05/03/325480503.db2.gz OTRTTWBUSUZWIG-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)[NH+](C)C ZINC000080429126 325480846 /nfs/dbraw/zinc/48/08/46/325480846.db2.gz WBFMRMCGNCYHNL-CFVMTHIKSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[C@H](C)C1)[NH+](C)C ZINC000080429135 325480925 /nfs/dbraw/zinc/48/09/25/325480925.db2.gz WBFMRMCGNCYHNL-QEJZJMRPSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])CC1 ZINC000082491050 631405214 /nfs/dbraw/zinc/40/52/14/631405214.db2.gz MJVPGQOMGZSBRK-CQSZACIVSA-N 2 1 226.408 3.018 20 0 BGADMP C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])CC1 ZINC000082491052 631405360 /nfs/dbraw/zinc/40/53/60/631405360.db2.gz MJVPGQOMGZSBRK-AWEZNQCLSA-N 2 1 226.408 3.018 20 0 BGADMP C[N@@H+](CCCCCCC[NH3+])CC1CCCC1 ZINC000082493403 643326472 /nfs/dbraw/zinc/32/64/72/643326472.db2.gz NGQRQMHXPRIRMG-UHFFFAOYSA-N 2 1 226.408 3.018 20 0 BGADMP CC1(C)CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC000083680811 643609027 /nfs/dbraw/zinc/60/90/27/643609027.db2.gz NCDOHHFXQMTXRR-UHFFFAOYSA-N 2 1 226.408 3.018 20 0 BGADMP C[C@@H]1CC[C@H](C)[N@@H+](CCCCCCC[NH3+])C1 ZINC000084051586 631432001 /nfs/dbraw/zinc/43/20/01/631432001.db2.gz MGGRVUWTCMHQCZ-KGLIPLIRSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@H]1CC[C@H](C)[N@@H+](CCCCCCC[NH3+])C1 ZINC000084051590 631432433 /nfs/dbraw/zinc/43/24/33/631432433.db2.gz MGGRVUWTCMHQCZ-KBPBESRZSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1CC[C@@H](C)[N@@H+](CCCCCCC[NH3+])C1 ZINC000084051593 644416334 /nfs/dbraw/zinc/41/63/34/644416334.db2.gz MGGRVUWTCMHQCZ-ZIAGYGMSSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1CC[C@H](C)C[N@@H+]1CCCCCCC[NH3+] ZINC000084051597 631432582 /nfs/dbraw/zinc/43/25/82/631432582.db2.gz MGGRVUWTCMHQCZ-UONOGXRCSA-N 2 1 226.408 3.016 20 0 BGADMP CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CCN)cc1 ZINC000084076833 388070316 /nfs/dbraw/zinc/07/03/16/388070316.db2.gz GLEPOCYKJBNNEH-HNNXBMFYSA-N 2 1 246.398 3.080 20 0 BGADMP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CCN)cc1 ZINC000084076834 388070820 /nfs/dbraw/zinc/07/08/20/388070820.db2.gz GLEPOCYKJBNNEH-OAHLLOKOSA-N 2 1 246.398 3.080 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000084469231 538114207 /nfs/dbraw/zinc/11/42/07/538114207.db2.gz YFZOQKYOZIZWGE-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCCCCC2)CC1(C)C ZINC000084536811 488058327 /nfs/dbraw/zinc/05/83/27/488058327.db2.gz PYWCKOSGKUGQEO-CQSZACIVSA-N 2 1 238.419 3.172 20 0 BGADMP C[N@H+]1CC[C@H]([NH2+]C2CCCCCC2)CC1(C)C ZINC000084536812 488058105 /nfs/dbraw/zinc/05/81/05/488058105.db2.gz PYWCKOSGKUGQEO-AWEZNQCLSA-N 2 1 238.419 3.172 20 0 BGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000084566745 488063742 /nfs/dbraw/zinc/06/37/42/488063742.db2.gz LSNTXMHVGJZCRP-DZGCQCFKSA-N 2 1 246.398 3.210 20 0 BGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000084566749 488063854 /nfs/dbraw/zinc/06/38/54/488063854.db2.gz LSNTXMHVGJZCRP-UKRRQHHQSA-N 2 1 246.398 3.210 20 0 BGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000084566750 488063682 /nfs/dbraw/zinc/06/36/82/488063682.db2.gz LSNTXMHVGJZCRP-ZFWWWQNUSA-N 2 1 246.398 3.210 20 0 BGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000084566752 488063822 /nfs/dbraw/zinc/06/38/22/488063822.db2.gz LSNTXMHVGJZCRP-HIFRSBDPSA-N 2 1 246.398 3.210 20 0 BGADMP CCCCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000085015351 643679076 /nfs/dbraw/zinc/67/90/76/643679076.db2.gz MVPLQFTWVQBUSR-KGLIPLIRSA-N 2 1 226.408 3.014 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000085099633 538115529 /nfs/dbraw/zinc/11/55/29/538115529.db2.gz HMARSGQUDJNJSE-ZQDZILKHSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000085099642 538115540 /nfs/dbraw/zinc/11/55/40/538115540.db2.gz GHUWRCKCVBUQCH-ZQDZILKHSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000085872683 170108187 /nfs/dbraw/zinc/10/81/87/170108187.db2.gz RNZKDFPZUKIGGV-UHFFFAOYSA-N 2 1 246.398 3.039 20 0 BGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000086115676 357853612 /nfs/dbraw/zinc/85/36/12/357853612.db2.gz BWPOIKPSWRKOCK-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000086115679 357853590 /nfs/dbraw/zinc/85/35/90/357853590.db2.gz BWPOIKPSWRKOCK-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CC1 ZINC000086115830 324118484 /nfs/dbraw/zinc/11/84/84/324118484.db2.gz HWIFEAYVTZIRLE-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CC1 ZINC000086115839 324118311 /nfs/dbraw/zinc/11/83/11/324118311.db2.gz HWIFEAYVTZIRLE-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@@H](CC)C1CC1)[NH+](C)C ZINC000086116304 259340348 /nfs/dbraw/zinc/34/03/48/259340348.db2.gz KCVRZDOBWHSSSZ-LSDHHAIUSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@@H](CC)C1CC1)[NH+](C)C ZINC000086116308 259339891 /nfs/dbraw/zinc/33/98/91/259339891.db2.gz KCVRZDOBWHSSSZ-GJZGRUSLSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@H](CC)C1CC1)[NH+](C)C ZINC000086116310 384987803 /nfs/dbraw/zinc/98/78/03/384987803.db2.gz KCVRZDOBWHSSSZ-HUUCEWRRSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@H](CC)C1CC1)[NH+](C)C ZINC000086116314 387515952 /nfs/dbraw/zinc/51/59/52/387515952.db2.gz KCVRZDOBWHSSSZ-CABCVRRESA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000086670189 388105335 /nfs/dbraw/zinc/10/53/35/388105335.db2.gz HXGDQNPBNYNXNB-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000086670193 388105640 /nfs/dbraw/zinc/10/56/40/388105640.db2.gz HXGDQNPBNYNXNB-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000086670845 385035908 /nfs/dbraw/zinc/03/59/08/385035908.db2.gz XREJQVAYWDHSKK-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000086670847 385036423 /nfs/dbraw/zinc/03/64/23/385036423.db2.gz XREJQVAYWDHSKK-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000086670849 385038076 /nfs/dbraw/zinc/03/80/76/385038076.db2.gz XREJQVAYWDHSKK-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000086670850 385035558 /nfs/dbraw/zinc/03/55/58/385035558.db2.gz XREJQVAYWDHSKK-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)[NH+](C)C ZINC000086671959 385036123 /nfs/dbraw/zinc/03/61/23/385036123.db2.gz DCEYAMCKDDDFLA-CFVMTHIKSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@@H]1C)[NH+](C)C ZINC000086671963 388403490 /nfs/dbraw/zinc/40/34/90/388403490.db2.gz DCEYAMCKDDDFLA-QEJZJMRPSA-N 2 1 240.435 3.131 20 0 BGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Cl)s1 ZINC000086814841 535193379 /nfs/dbraw/zinc/19/33/79/535193379.db2.gz SSGMMFQLSMRQNV-UHFFFAOYSA-N 2 1 246.807 3.009 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000086888951 135101730 /nfs/dbraw/zinc/10/17/30/135101730.db2.gz PJMIMMDUPMIBEF-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000086888954 135101634 /nfs/dbraw/zinc/10/16/34/135101634.db2.gz PJMIMMDUPMIBEF-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000086888957 135101944 /nfs/dbraw/zinc/10/19/44/135101944.db2.gz PJMIMMDUPMIBEF-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000086888958 135101368 /nfs/dbraw/zinc/10/13/68/135101368.db2.gz PJMIMMDUPMIBEF-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000086897547 487580971 /nfs/dbraw/zinc/58/09/71/487580971.db2.gz YXXRAFRCULUSRC-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000086897549 487580289 /nfs/dbraw/zinc/58/02/89/487580289.db2.gz YXXRAFRCULUSRC-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000086897553 487580278 /nfs/dbraw/zinc/58/02/78/487580278.db2.gz YXXRAFRCULUSRC-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000086897556 487580794 /nfs/dbraw/zinc/58/07/94/487580794.db2.gz YXXRAFRCULUSRC-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[NH+]1CCC([NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000086897564 368886172 /nfs/dbraw/zinc/88/61/72/368886172.db2.gz VHUYDVMYQBUPCT-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[NH+]1CCC([NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000086897567 368886717 /nfs/dbraw/zinc/88/67/17/368886717.db2.gz VHUYDVMYQBUPCT-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000087385014 359909723 /nfs/dbraw/zinc/90/97/23/359909723.db2.gz IKFCCICURIGAMZ-BBRMVZONSA-N 2 1 246.398 3.245 20 0 BGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000087385015 359909650 /nfs/dbraw/zinc/90/96/50/359909650.db2.gz IKFCCICURIGAMZ-CJNGLKHVSA-N 2 1 246.398 3.245 20 0 BGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000087385016 359909565 /nfs/dbraw/zinc/90/95/65/359909565.db2.gz IKFCCICURIGAMZ-XJKSGUPXSA-N 2 1 246.398 3.245 20 0 BGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000087385017 359909876 /nfs/dbraw/zinc/90/98/76/359909876.db2.gz IKFCCICURIGAMZ-CZUORRHYSA-N 2 1 246.398 3.245 20 0 BGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000087777964 644501256 /nfs/dbraw/zinc/50/12/56/644501256.db2.gz KXWAMJCKGCJIGU-HUUCEWRRSA-N 2 1 238.419 3.160 20 0 BGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000087777966 644500923 /nfs/dbraw/zinc/50/09/23/644500923.db2.gz KXWAMJCKGCJIGU-LSDHHAIUSA-N 2 1 238.419 3.160 20 0 BGADMP [NH3+]C[C@H]([NH2+]C1CCCCCC1)C1CCCCC1 ZINC000087903656 644504318 /nfs/dbraw/zinc/50/43/18/644504318.db2.gz NXURUMYWLUJWIH-HNNXBMFYSA-N 2 1 238.419 3.206 20 0 BGADMP [NH3+]C[C@@H]([NH2+]C1CCCCCC1)C1CCCCC1 ZINC000087903657 644504907 /nfs/dbraw/zinc/50/49/07/644504907.db2.gz NXURUMYWLUJWIH-OAHLLOKOSA-N 2 1 238.419 3.206 20 0 BGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000088163705 359939728 /nfs/dbraw/zinc/93/97/28/359939728.db2.gz AGDSHPRXMJKFFZ-DKUMPPAJSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC000088163705 359939726 /nfs/dbraw/zinc/93/97/26/359939726.db2.gz AGDSHPRXMJKFFZ-DKUMPPAJSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000088163706 359939283 /nfs/dbraw/zinc/93/92/83/359939283.db2.gz AGDSHPRXMJKFFZ-JALIKCBVSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC000088163706 359939278 /nfs/dbraw/zinc/93/92/78/359939278.db2.gz AGDSHPRXMJKFFZ-JALIKCBVSA-N 2 1 238.419 3.026 20 0 BGADMP CC(C)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163773 359939570 /nfs/dbraw/zinc/93/95/70/359939570.db2.gz KYDLZLNPRRQUCW-FFHGMXDLSA-N 2 1 238.419 3.026 20 0 BGADMP CC(C)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163773 359939566 /nfs/dbraw/zinc/93/95/66/359939566.db2.gz KYDLZLNPRRQUCW-FFHGMXDLSA-N 2 1 238.419 3.026 20 0 BGADMP CC(C)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163774 359939621 /nfs/dbraw/zinc/93/96/21/359939621.db2.gz KYDLZLNPRRQUCW-AVOUXACISA-N 2 1 238.419 3.026 20 0 BGADMP CC(C)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163774 359939617 /nfs/dbraw/zinc/93/96/17/359939617.db2.gz KYDLZLNPRRQUCW-AVOUXACISA-N 2 1 238.419 3.026 20 0 BGADMP CCCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163984 359939685 /nfs/dbraw/zinc/93/96/85/359939685.db2.gz BYXXIKVAUIZKRO-FFHGMXDLSA-N 2 1 238.419 3.170 20 0 BGADMP CCCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163984 359939683 /nfs/dbraw/zinc/93/96/83/359939683.db2.gz BYXXIKVAUIZKRO-FFHGMXDLSA-N 2 1 238.419 3.170 20 0 BGADMP CCCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163985 359939502 /nfs/dbraw/zinc/93/95/02/359939502.db2.gz BYXXIKVAUIZKRO-AVOUXACISA-N 2 1 238.419 3.170 20 0 BGADMP CCCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163985 359939498 /nfs/dbraw/zinc/93/94/98/359939498.db2.gz BYXXIKVAUIZKRO-AVOUXACISA-N 2 1 238.419 3.170 20 0 BGADMP CCC[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164037 359939381 /nfs/dbraw/zinc/93/93/81/359939381.db2.gz OWHBWUDDCPIVCP-FFHGMXDLSA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164038 359939409 /nfs/dbraw/zinc/93/94/09/359939409.db2.gz OWHBWUDDCPIVCP-AVOUXACISA-N 2 1 238.419 3.028 20 0 BGADMP CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164173 398293708 /nfs/dbraw/zinc/29/37/08/398293708.db2.gz GTFQRPQSEPJUHW-GOOCMWNKSA-N 2 1 238.419 3.028 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2C)CC1 ZINC000088505744 491103463 /nfs/dbraw/zinc/10/34/63/491103463.db2.gz NUPNYNVTDBSPQY-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2C)CC1 ZINC000088505747 491103592 /nfs/dbraw/zinc/10/35/92/491103592.db2.gz NUPNYNVTDBSPQY-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000088505749 491103577 /nfs/dbraw/zinc/10/35/77/491103577.db2.gz NUPNYNVTDBSPQY-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000088505751 491103596 /nfs/dbraw/zinc/10/35/96/491103596.db2.gz NUPNYNVTDBSPQY-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000088505890 345542079 /nfs/dbraw/zinc/54/20/79/345542079.db2.gz GZAFTBXWOKEDDN-CQSZACIVSA-N 2 1 240.435 3.085 20 0 BGADMP CC[C@H](C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000088505893 345541895 /nfs/dbraw/zinc/54/18/95/345541895.db2.gz GZAFTBXWOKEDDN-AWEZNQCLSA-N 2 1 240.435 3.085 20 0 BGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089562619 360026337 /nfs/dbraw/zinc/02/63/37/360026337.db2.gz JNALLZOSVVUKNS-OAHLLOKOSA-N 2 1 238.419 3.018 20 0 BGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089562621 360025932 /nfs/dbraw/zinc/02/59/32/360025932.db2.gz JNALLZOSVVUKNS-HNNXBMFYSA-N 2 1 238.419 3.018 20 0 BGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089562623 360026101 /nfs/dbraw/zinc/02/61/01/360026101.db2.gz WQPACEGCJLJTLT-DZGCQCFKSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089562625 360026134 /nfs/dbraw/zinc/02/61/34/360026134.db2.gz WQPACEGCJLJTLT-UKRRQHHQSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089562627 360026430 /nfs/dbraw/zinc/02/64/30/360026430.db2.gz WQPACEGCJLJTLT-ZFWWWQNUSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089562630 360026523 /nfs/dbraw/zinc/02/65/23/360026523.db2.gz WQPACEGCJLJTLT-HIFRSBDPSA-N 2 1 238.419 3.016 20 0 BGADMP CCC(CC)(CC)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000089615721 343749034 /nfs/dbraw/zinc/74/90/34/343749034.db2.gz RVISHOQWRLJGAS-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCC(CC)(CC)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000089615725 343749300 /nfs/dbraw/zinc/74/93/00/343749300.db2.gz RVISHOQWRLJGAS-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CC(C)(C)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090076904 491122694 /nfs/dbraw/zinc/12/26/94/491122694.db2.gz NCZLMFDMLLDJCM-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090076905 491122660 /nfs/dbraw/zinc/12/26/60/491122660.db2.gz NCZLMFDMLLDJCM-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC000090076912 388745410 /nfs/dbraw/zinc/74/54/10/388745410.db2.gz GZOOQRMZICQVEG-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC000090076913 388745115 /nfs/dbraw/zinc/74/51/15/388745115.db2.gz GZOOQRMZICQVEG-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC000090077008 388745338 /nfs/dbraw/zinc/74/53/38/388745338.db2.gz YKGCALLCPMIUIW-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC000090077009 388745004 /nfs/dbraw/zinc/74/50/04/388745004.db2.gz YKGCALLCPMIUIW-RDBSUJKOSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC000090077010 388744884 /nfs/dbraw/zinc/74/48/84/388744884.db2.gz YKGCALLCPMIUIW-MGPQQGTHSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC000090077011 388744926 /nfs/dbraw/zinc/74/49/26/388744926.db2.gz YKGCALLCPMIUIW-HZSPNIEDSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090400187 345567904 /nfs/dbraw/zinc/56/79/04/345567904.db2.gz ZFOANPFZTGKMML-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)(CC)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090400188 345567644 /nfs/dbraw/zinc/56/76/44/345567644.db2.gz ZFOANPFZTGKMML-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)CC[N@H+]1C ZINC000090720957 384172378 /nfs/dbraw/zinc/17/23/78/384172378.db2.gz LYGIPFJRGOUKDR-TZMCWYRMSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000090720957 384172376 /nfs/dbraw/zinc/17/23/76/384172376.db2.gz LYGIPFJRGOUKDR-TZMCWYRMSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)CC[N@H+]1C ZINC000090720959 384172604 /nfs/dbraw/zinc/17/26/04/384172604.db2.gz LYGIPFJRGOUKDR-GXTWGEPZSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000090720959 384172599 /nfs/dbraw/zinc/17/25/99/384172599.db2.gz LYGIPFJRGOUKDR-GXTWGEPZSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)CC[N@H+]1C ZINC000090720961 384174104 /nfs/dbraw/zinc/17/41/04/384174104.db2.gz LYGIPFJRGOUKDR-OCCSQVGLSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000090720961 384174097 /nfs/dbraw/zinc/17/40/97/384174097.db2.gz LYGIPFJRGOUKDR-OCCSQVGLSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)CC[N@H+]1C ZINC000090720963 384172871 /nfs/dbraw/zinc/17/28/71/384172871.db2.gz LYGIPFJRGOUKDR-JSGCOSHPSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000090720963 384172865 /nfs/dbraw/zinc/17/28/65/384172865.db2.gz LYGIPFJRGOUKDR-JSGCOSHPSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000090721534 360085326 /nfs/dbraw/zinc/08/53/26/360085326.db2.gz RYFFGUJMJYHDSX-XSCHDIRWSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000090721534 360085323 /nfs/dbraw/zinc/08/53/23/360085323.db2.gz RYFFGUJMJYHDSX-XSCHDIRWSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000090721535 360085350 /nfs/dbraw/zinc/08/53/50/360085350.db2.gz RYFFGUJMJYHDSX-URGYJCLVSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000090721535 360085347 /nfs/dbraw/zinc/08/53/47/360085347.db2.gz RYFFGUJMJYHDSX-URGYJCLVSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000090721708 385019639 /nfs/dbraw/zinc/01/96/39/385019639.db2.gz LSAHJONJASRSQG-APIJFGDWSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000090721708 385019634 /nfs/dbraw/zinc/01/96/34/385019634.db2.gz LSAHJONJASRSQG-APIJFGDWSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CCC([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091542672 644630111 /nfs/dbraw/zinc/63/01/11/644630111.db2.gz PRJASGHESXGBBF-FUUBYGMNSA-N 2 1 238.419 3.014 20 0 BGADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091543907 632069858 /nfs/dbraw/zinc/06/98/58/632069858.db2.gz VZNWFSYLPNVMJR-CVEARBPZSA-N 2 1 246.398 3.024 20 0 BGADMP Cc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1C ZINC000091843684 632503581 /nfs/dbraw/zinc/50/35/81/632503581.db2.gz CRDSXBDMOVATHE-UHFFFAOYSA-N 2 1 246.398 3.005 20 0 BGADMP C[N@@H+](CC1CCCCCC1)C1CCC([NH3+])CC1 ZINC000091843787 632503733 /nfs/dbraw/zinc/50/37/33/632503733.db2.gz RWAJVPQRJUWHGK-UHFFFAOYSA-N 2 1 238.419 3.159 20 0 BGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000091844019 644641563 /nfs/dbraw/zinc/64/15/63/644641563.db2.gz MIQLFFVNQRGAHT-DNDYEEKYSA-N 2 1 238.419 3.014 20 0 BGADMP C[C@H]1CCC[C@H](C[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000091844022 644642054 /nfs/dbraw/zinc/64/20/54/644642054.db2.gz MIQLFFVNQRGAHT-HESLUPGFSA-N 2 1 238.419 3.014 20 0 BGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000091844023 632508731 /nfs/dbraw/zinc/50/87/31/632508731.db2.gz MIQLFFVNQRGAHT-LMRVLLHPSA-N 2 1 238.419 3.014 20 0 BGADMP C[C@H]1CCC[C@@H](C[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000091844026 632506871 /nfs/dbraw/zinc/50/68/71/632506871.db2.gz MIQLFFVNQRGAHT-ZUJMUWTESA-N 2 1 238.419 3.014 20 0 BGADMP Cc1cc(C)cc(C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091844130 644642966 /nfs/dbraw/zinc/64/29/66/644642966.db2.gz GSQNQTMMACIEIO-UHFFFAOYSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C)c(C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091844262 644643230 /nfs/dbraw/zinc/64/32/30/644643230.db2.gz PSHXVFXEQQOBJS-UHFFFAOYSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)c(C)c1 ZINC000091844403 632507972 /nfs/dbraw/zinc/50/79/72/632507972.db2.gz JPTXEMJZDUUZHF-UHFFFAOYSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1C ZINC000091844788 632506938 /nfs/dbraw/zinc/50/69/38/632506938.db2.gz CNCLINQMZJNTPO-UHFFFAOYSA-N 2 1 246.398 3.005 20 0 BGADMP CC[C@@H](C)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000093062071 360213677 /nfs/dbraw/zinc/21/36/77/360213677.db2.gz SDVMJPGATYMTDQ-CABCVRRESA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@H](C)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000093062072 135587766 /nfs/dbraw/zinc/58/77/66/135587766.db2.gz SDVMJPGATYMTDQ-GJZGRUSLSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@@H](C)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000093062079 535523538 /nfs/dbraw/zinc/52/35/38/535523538.db2.gz WVVVXJPFTQYBAQ-CABCVRRESA-N 2 1 240.435 3.134 20 0 BGADMP CC[C@H](C)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000093062080 360213763 /nfs/dbraw/zinc/21/37/63/360213763.db2.gz WVVVXJPFTQYBAQ-GJZGRUSLSA-N 2 1 240.435 3.134 20 0 BGADMP CC[C@@H](C)C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000093067162 135588237 /nfs/dbraw/zinc/58/82/37/135588237.db2.gz CHVMDIDKIWGKLJ-CQSZACIVSA-N 2 1 248.414 3.274 20 0 BGADMP CC[C@H](C)C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000093067163 360213280 /nfs/dbraw/zinc/21/32/80/360213280.db2.gz CHVMDIDKIWGKLJ-AWEZNQCLSA-N 2 1 248.414 3.274 20 0 BGADMP CC[C@@H](C)C[N@@H+](CC)CCCC1CC[NH2+]CC1 ZINC000093264011 488149107 /nfs/dbraw/zinc/14/91/07/488149107.db2.gz LELVFGLUUCRVQA-CQSZACIVSA-N 2 1 240.435 3.134 20 0 BGADMP CC[C@H](C)C[N@@H+](CC)CCCC1CC[NH2+]CC1 ZINC000093264012 488149241 /nfs/dbraw/zinc/14/92/41/488149241.db2.gz LELVFGLUUCRVQA-AWEZNQCLSA-N 2 1 240.435 3.134 20 0 BGADMP CCC(CC)[N@@H+](CC(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000093309089 360227948 /nfs/dbraw/zinc/22/79/48/360227948.db2.gz UEYASODVWRBECZ-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)[N@@H+](CC(C)C)C[C@H]1CCC[NH2+]C1 ZINC000093309090 360227821 /nfs/dbraw/zinc/22/78/21/360227821.db2.gz UEYASODVWRBECZ-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)[N@@H+](CC(C)C)CC1CC[NH2+]CC1 ZINC000093309104 168370082 /nfs/dbraw/zinc/37/00/82/168370082.db2.gz IVNGQSYSIFOWRP-UHFFFAOYSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)[N@@H+](CC(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000093326008 634516540 /nfs/dbraw/zinc/51/65/40/634516540.db2.gz ARSJXCUNEFHRJE-KGLIPLIRSA-N 2 1 240.435 3.260 20 0 BGADMP CCC(CC)[N@@H+](CC(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000093326043 386479267 /nfs/dbraw/zinc/47/92/67/386479267.db2.gz ZBLSPCLBORJCDM-OAHLLOKOSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)[N@@H+](CC(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000093326044 386477701 /nfs/dbraw/zinc/47/77/01/386477701.db2.gz ZBLSPCLBORJCDM-HNNXBMFYSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(C)C ZINC000093326090 384228914 /nfs/dbraw/zinc/22/89/14/384228914.db2.gz UWRSAYBWWAIGFN-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)[N@@H+](CC[C@H]1CC[NH2+]C1)CC(C)C ZINC000093326091 386479096 /nfs/dbraw/zinc/47/90/96/386479096.db2.gz UWRSAYBWWAIGFN-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[N@@H+](CC)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678033 631570859 /nfs/dbraw/zinc/57/08/59/631570859.db2.gz LQIXNHBGRSPQJY-GOOCMWNKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](c1ccccc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873084 386430038 /nfs/dbraw/zinc/43/00/38/386430038.db2.gz XJOKCNSQWUQGLB-CQSZACIVSA-N 2 1 234.387 3.054 20 0 BGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000093977918 360292617 /nfs/dbraw/zinc/29/26/17/360292617.db2.gz HCAAJQCXJJCKEC-HUUCEWRRSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC(CCC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000093977919 360292063 /nfs/dbraw/zinc/29/20/63/360292063.db2.gz HCAAJQCXJJCKEC-LSDHHAIUSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093978104 384287324 /nfs/dbraw/zinc/28/73/24/384287324.db2.gz HUCBASPXZCNDLT-TZMCWYRMSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093978104 384287314 /nfs/dbraw/zinc/28/73/14/384287314.db2.gz HUCBASPXZCNDLT-TZMCWYRMSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC(CCC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093978105 386927176 /nfs/dbraw/zinc/92/71/76/386927176.db2.gz HUCBASPXZCNDLT-OCCSQVGLSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC(CCC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093978105 386927172 /nfs/dbraw/zinc/92/71/72/386927172.db2.gz HUCBASPXZCNDLT-OCCSQVGLSA-N 2 1 226.408 3.028 20 0 BGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000093978106 386927310 /nfs/dbraw/zinc/92/73/10/386927310.db2.gz HJQVJWLYMOVFOE-VNHYZAJKSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000093978106 386927306 /nfs/dbraw/zinc/92/73/06/386927306.db2.gz HJQVJWLYMOVFOE-VNHYZAJKSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000093978107 386928394 /nfs/dbraw/zinc/92/83/94/386928394.db2.gz HJQVJWLYMOVFOE-KCQAQPDRSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000093978107 386928390 /nfs/dbraw/zinc/92/83/90/386928390.db2.gz HJQVJWLYMOVFOE-KCQAQPDRSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000093978108 386927995 /nfs/dbraw/zinc/92/79/95/386927995.db2.gz HJQVJWLYMOVFOE-IPYPFGDCSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000093978108 386927992 /nfs/dbraw/zinc/92/79/92/386927992.db2.gz HJQVJWLYMOVFOE-IPYPFGDCSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000093978109 386927418 /nfs/dbraw/zinc/92/74/18/386927418.db2.gz HJQVJWLYMOVFOE-YDHLFZDLSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000093978109 386927417 /nfs/dbraw/zinc/92/74/17/386927417.db2.gz HJQVJWLYMOVFOE-YDHLFZDLSA-N 2 1 238.419 3.028 20 0 BGADMP C[N@@H+](CC1CC[NH2+]CC1)C1CCCCCCC1 ZINC000094010930 635160620 /nfs/dbraw/zinc/16/06/20/635160620.db2.gz LHYUWEMPIXYQFL-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)[N@@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC000094012290 323177731 /nfs/dbraw/zinc/17/77/31/323177731.db2.gz FWTSMHYDLUGJJO-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000094279005 360302062 /nfs/dbraw/zinc/30/20/62/360302062.db2.gz NBWNNCAGXJVUIF-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000094279006 360302226 /nfs/dbraw/zinc/30/22/26/360302226.db2.gz NBWNNCAGXJVUIF-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000094279276 711731872 /nfs/dbraw/zinc/73/18/72/711731872.db2.gz RVQUTUOYKVLYFR-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000094279278 322977412 /nfs/dbraw/zinc/97/74/12/322977412.db2.gz RVQUTUOYKVLYFR-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000094279279 537835122 /nfs/dbraw/zinc/83/51/22/537835122.db2.gz RVQUTUOYKVLYFR-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC1(C)C)C(C)C ZINC000094302960 386941124 /nfs/dbraw/zinc/94/11/24/386941124.db2.gz MBZADMXCDNGCJQ-CQSZACIVSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H]1CCCC1(C)C)C(C)C ZINC000094302961 386940964 /nfs/dbraw/zinc/94/09/64/386940964.db2.gz MBZADMXCDNGCJQ-AWEZNQCLSA-N 2 1 240.435 3.274 20 0 BGADMP C[N@@H+](CC[NH2+][C@H]1CCCC1(C)C)C1CCCC1 ZINC000094308857 262765726 /nfs/dbraw/zinc/76/57/26/262765726.db2.gz SIHGQZWSYBTOAX-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+](CC[NH2+][C@H]1CCCC1(C)C)C1CCCC1 ZINC000094308857 262765725 /nfs/dbraw/zinc/76/57/25/262765725.db2.gz SIHGQZWSYBTOAX-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@@H+](CC[NH2+][C@@H]1CCCC1(C)C)C1CCCC1 ZINC000094308858 386943343 /nfs/dbraw/zinc/94/33/43/386943343.db2.gz SIHGQZWSYBTOAX-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+](CC[NH2+][C@@H]1CCCC1(C)C)C1CCCC1 ZINC000094308858 386943340 /nfs/dbraw/zinc/94/33/40/386943340.db2.gz SIHGQZWSYBTOAX-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCCC1(C)C ZINC000094324632 360303906 /nfs/dbraw/zinc/30/39/06/360303906.db2.gz VCADZSRDSZTNLE-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCCC1(C)C ZINC000094324633 360304242 /nfs/dbraw/zinc/30/42/42/360304242.db2.gz VCADZSRDSZTNLE-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCCC1(C)C ZINC000094324634 360303883 /nfs/dbraw/zinc/30/38/83/360303883.db2.gz VCADZSRDSZTNLE-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCCC1(C)C ZINC000094324635 536354562 /nfs/dbraw/zinc/35/45/62/536354562.db2.gz VCADZSRDSZTNLE-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC000094722727 386956247 /nfs/dbraw/zinc/95/62/47/386956247.db2.gz RMAPYUAYBVDTMT-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC000094722728 386955485 /nfs/dbraw/zinc/95/54/85/386955485.db2.gz RMAPYUAYBVDTMT-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC000094722729 386955861 /nfs/dbraw/zinc/95/58/61/386955861.db2.gz RMAPYUAYBVDTMT-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC000094722730 386955551 /nfs/dbraw/zinc/95/55/51/386955551.db2.gz RMAPYUAYBVDTMT-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)C[N@@H+](CCCCCC[NH3+])C1CCCC1 ZINC000094849087 635393961 /nfs/dbraw/zinc/39/39/61/635393961.db2.gz VUYPJKXEGSEFRP-UHFFFAOYSA-N 2 1 240.435 3.406 20 0 BGADMP CC(C)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000094849095 635393610 /nfs/dbraw/zinc/39/36/10/635393610.db2.gz TTZJVUYEJJESND-KGLIPLIRSA-N 2 1 238.419 3.014 20 0 BGADMP C[N@@H+](CCCCCC[NH3+])C1CCC(C)(C)CC1 ZINC000094859638 644731044 /nfs/dbraw/zinc/73/10/44/644731044.db2.gz SFAJEQXWQFEBOT-UHFFFAOYSA-N 2 1 240.435 3.406 20 0 BGADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCC(C)(C)CC1 ZINC000094859654 644730923 /nfs/dbraw/zinc/73/09/23/644730923.db2.gz IPWWQZGWFCYFQN-OLZOCXBDSA-N 2 1 238.419 3.014 20 0 BGADMP CCCCCC(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000094984636 635400021 /nfs/dbraw/zinc/40/00/21/635400021.db2.gz OWTGLLOQYIXSPU-UHFFFAOYSA-N 2 1 240.435 3.277 20 0 BGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000098173146 642683515 /nfs/dbraw/zinc/68/35/15/642683515.db2.gz WGQPATZEBGRHFB-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000098173146 642683512 /nfs/dbraw/zinc/68/35/12/642683512.db2.gz WGQPATZEBGRHFB-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000098173147 642685156 /nfs/dbraw/zinc/68/51/56/642685156.db2.gz WGQPATZEBGRHFB-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCCC2)C1 ZINC000098173147 642685151 /nfs/dbraw/zinc/68/51/51/642685151.db2.gz WGQPATZEBGRHFB-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104098181 176019956 /nfs/dbraw/zinc/01/99/56/176019956.db2.gz HVJQJOIBIBGQBT-LSDHHAIUSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104098181 176019955 /nfs/dbraw/zinc/01/99/55/176019955.db2.gz HVJQJOIBIBGQBT-LSDHHAIUSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104098181 176019954 /nfs/dbraw/zinc/01/99/54/176019954.db2.gz HVJQJOIBIBGQBT-LSDHHAIUSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104098181 176019953 /nfs/dbraw/zinc/01/99/53/176019953.db2.gz HVJQJOIBIBGQBT-LSDHHAIUSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104098183 177039055 /nfs/dbraw/zinc/03/90/55/177039055.db2.gz HVJQJOIBIBGQBT-HUUCEWRRSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104098183 177039053 /nfs/dbraw/zinc/03/90/53/177039053.db2.gz HVJQJOIBIBGQBT-HUUCEWRRSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104098183 177039052 /nfs/dbraw/zinc/03/90/52/177039052.db2.gz HVJQJOIBIBGQBT-HUUCEWRRSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104098183 177039050 /nfs/dbraw/zinc/03/90/50/177039050.db2.gz HVJQJOIBIBGQBT-HUUCEWRRSA-N 2 1 246.398 3.021 20 0 BGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCCCCC1 ZINC000105443268 180264288 /nfs/dbraw/zinc/26/42/88/180264288.db2.gz RXSXQONTLGAMHV-ZDUSSCGKSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCCCCC1 ZINC000105443271 180266909 /nfs/dbraw/zinc/26/69/09/180266909.db2.gz RXSXQONTLGAMHV-CYBMUJFWSA-N 2 1 249.402 3.140 20 0 BGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC(C)(C)C)c1 ZINC000105449004 358943504 /nfs/dbraw/zinc/94/35/04/358943504.db2.gz DSBKQLUKMBFGLN-UHFFFAOYSA-N 2 1 248.414 3.274 20 0 BGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCCC2)c1 ZINC000105449448 588173682 /nfs/dbraw/zinc/17/36/82/588173682.db2.gz XBYIFKGMNCPYNW-UHFFFAOYSA-N 2 1 246.398 3.171 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000105838469 323820664 /nfs/dbraw/zinc/82/06/64/323820664.db2.gz IBFMBBHXTKPVKZ-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000105838472 323820776 /nfs/dbraw/zinc/82/07/76/323820776.db2.gz IBFMBBHXTKPVKZ-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000105838477 323821091 /nfs/dbraw/zinc/82/10/91/323821091.db2.gz IBFMBBHXTKPVKZ-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCCC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000105838481 323820805 /nfs/dbraw/zinc/82/08/05/323820805.db2.gz IBFMBBHXTKPVKZ-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[NH+](C)C1(C[NH2+]CC2CCCCC2)CCCC1 ZINC000105838520 387931249 /nfs/dbraw/zinc/93/12/49/387931249.db2.gz RAGJNKJTYOGWPO-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000107954568 592705564 /nfs/dbraw/zinc/70/55/64/592705564.db2.gz PJQCITBOOPTXBG-HIFRSBDPSA-N 2 1 238.419 3.016 20 0 BGADMP CCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000107954570 592705650 /nfs/dbraw/zinc/70/56/50/592705650.db2.gz PJQCITBOOPTXBG-ZFWWWQNUSA-N 2 1 238.419 3.016 20 0 BGADMP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000108369665 167094309 /nfs/dbraw/zinc/09/43/09/167094309.db2.gz CJEKTCOXVSBXKZ-AWEZNQCLSA-N 2 1 246.398 3.210 20 0 BGADMP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000108369667 167095763 /nfs/dbraw/zinc/09/57/63/167095763.db2.gz CJEKTCOXVSBXKZ-CQSZACIVSA-N 2 1 246.398 3.210 20 0 BGADMP CC(C)CC[N@@H+](CCCCCC[NH3+])C1CC1 ZINC000109279778 588537502 /nfs/dbraw/zinc/53/75/02/588537502.db2.gz UVNHQSPLZBHLBA-UHFFFAOYSA-N 2 1 226.408 3.016 20 0 BGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000111380627 387076910 /nfs/dbraw/zinc/07/69/10/387076910.db2.gz HCLTUEFJMQZANL-MRXNPFEDSA-N 2 1 246.398 3.007 20 0 BGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000111380629 387078004 /nfs/dbraw/zinc/07/80/04/387078004.db2.gz HCLTUEFJMQZANL-INIZCTEOSA-N 2 1 246.398 3.007 20 0 BGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000111380637 387077111 /nfs/dbraw/zinc/07/71/11/387077111.db2.gz GNCGNRJGHYIWQF-MRXNPFEDSA-N 2 1 246.398 3.007 20 0 BGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000111380639 387077802 /nfs/dbraw/zinc/07/78/02/387077802.db2.gz GNCGNRJGHYIWQF-INIZCTEOSA-N 2 1 246.398 3.007 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1C ZINC000111380684 384192249 /nfs/dbraw/zinc/19/22/49/384192249.db2.gz IPKUSLMLXRILAP-MRXNPFEDSA-N 2 1 246.398 3.007 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1C ZINC000111380686 384190782 /nfs/dbraw/zinc/19/07/82/384190782.db2.gz IPKUSLMLXRILAP-INIZCTEOSA-N 2 1 246.398 3.007 20 0 BGADMP CCC[NH+]1CCC([N@@H+](C)CCC(C)(C)C)CC1 ZINC000112698122 323171608 /nfs/dbraw/zinc/17/16/08/323171608.db2.gz GHSRPRLKTJPCMS-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP CC[N@@H+](CC[NH3+])[C@@H](C)c1cccc2ccccc21 ZINC000113606780 411243299 /nfs/dbraw/zinc/24/32/99/411243299.db2.gz VNGORVBFUFSROO-ZDUSSCGKSA-N 2 1 242.366 3.181 20 0 BGADMP CC[N@H+](CC[NH3+])[C@@H](C)c1cccc2ccccc21 ZINC000113606780 411243297 /nfs/dbraw/zinc/24/32/97/411243297.db2.gz VNGORVBFUFSROO-ZDUSSCGKSA-N 2 1 242.366 3.181 20 0 BGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000119148482 387101677 /nfs/dbraw/zinc/10/16/77/387101677.db2.gz KGZDZTPALSTCGJ-AWEZNQCLSA-N 2 1 238.419 3.125 20 0 BGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000119148482 387101674 /nfs/dbraw/zinc/10/16/74/387101674.db2.gz KGZDZTPALSTCGJ-AWEZNQCLSA-N 2 1 238.419 3.125 20 0 BGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000119148482 387101670 /nfs/dbraw/zinc/10/16/70/387101670.db2.gz KGZDZTPALSTCGJ-AWEZNQCLSA-N 2 1 238.419 3.125 20 0 BGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000119148582 387102166 /nfs/dbraw/zinc/10/21/66/387102166.db2.gz KGZDZTPALSTCGJ-CQSZACIVSA-N 2 1 238.419 3.125 20 0 BGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000119148582 387102161 /nfs/dbraw/zinc/10/21/61/387102161.db2.gz KGZDZTPALSTCGJ-CQSZACIVSA-N 2 1 238.419 3.125 20 0 BGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000119148582 387102155 /nfs/dbraw/zinc/10/21/55/387102155.db2.gz KGZDZTPALSTCGJ-CQSZACIVSA-N 2 1 238.419 3.125 20 0 BGADMP C[C@@H]1C[C@H]([NH2+]CCCCC(C)(C)C)CC[N@H+]1C ZINC000119501274 387138331 /nfs/dbraw/zinc/13/83/31/387138331.db2.gz IOSZYPXJLZNBNZ-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H]1C[C@H]([NH2+]CCCCC(C)(C)C)CC[N@H+]1C ZINC000119501424 387138484 /nfs/dbraw/zinc/13/84/84/387138484.db2.gz IOSZYPXJLZNBNZ-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+]CCCCC(C)(C)C)CC[N@H+]1C ZINC000119501581 387137744 /nfs/dbraw/zinc/13/77/44/387137744.db2.gz IOSZYPXJLZNBNZ-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H]1C[C@@H]([NH2+]CCCCC(C)(C)C)CC[N@H+]1C ZINC000119501701 387137552 /nfs/dbraw/zinc/13/75/52/387137552.db2.gz IOSZYPXJLZNBNZ-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000119513499 387135956 /nfs/dbraw/zinc/13/59/56/387135956.db2.gz SGDHRHLYYUNBFD-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000119513640 387136138 /nfs/dbraw/zinc/13/61/38/387136138.db2.gz SGDHRHLYYUNBFD-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCCC1(C)C ZINC000119860756 173052794 /nfs/dbraw/zinc/05/27/94/173052794.db2.gz AVTSQBQEYQIABA-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCCC1(C)C ZINC000119860920 173052741 /nfs/dbraw/zinc/05/27/41/173052741.db2.gz AVTSQBQEYQIABA-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCCC1(C)C ZINC000119861058 173027345 /nfs/dbraw/zinc/02/73/45/173027345.db2.gz AVTSQBQEYQIABA-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCCC1(C)C ZINC000119861224 173026712 /nfs/dbraw/zinc/02/67/12/173026712.db2.gz AVTSQBQEYQIABA-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000119977597 387165033 /nfs/dbraw/zinc/16/50/33/387165033.db2.gz GITGQJYVDGTBDA-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000119977597 387165026 /nfs/dbraw/zinc/16/50/26/387165026.db2.gz GITGQJYVDGTBDA-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000119977756 387165240 /nfs/dbraw/zinc/16/52/40/387165240.db2.gz GITGQJYVDGTBDA-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000119977756 387165234 /nfs/dbraw/zinc/16/52/34/387165234.db2.gz GITGQJYVDGTBDA-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP CCCC[N@@H+](CC)CCCCn1cc[nH+]c1C ZINC000120392620 387235270 /nfs/dbraw/zinc/23/52/70/387235270.db2.gz YYROPSJLFIMNRV-UHFFFAOYSA-N 2 1 237.391 3.094 20 0 BGADMP CCCC[N@H+](CC)CCCCn1cc[nH+]c1C ZINC000120392620 387235266 /nfs/dbraw/zinc/23/52/66/387235266.db2.gz YYROPSJLFIMNRV-UHFFFAOYSA-N 2 1 237.391 3.094 20 0 BGADMP CCC[NH+](CCC)CCCCn1cc[nH+]c1C ZINC000120395782 169147311 /nfs/dbraw/zinc/14/73/11/169147311.db2.gz WHWMEUDFDXSQMR-UHFFFAOYSA-N 2 1 237.391 3.094 20 0 BGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)CC(C)(C)C ZINC000120576956 387190469 /nfs/dbraw/zinc/19/04/69/387190469.db2.gz PBOVAEFEJOUVRA-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)CC(C)(C)C ZINC000120577111 387191122 /nfs/dbraw/zinc/19/11/22/387191122.db2.gz PBOVAEFEJOUVRA-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CC[N@H+]1C ZINC000120894576 387279124 /nfs/dbraw/zinc/27/91/24/387279124.db2.gz OOHAFMSVUWOQQR-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CC[N@H+]1C ZINC000120894849 176374688 /nfs/dbraw/zinc/37/46/88/176374688.db2.gz OOHAFMSVUWOQQR-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CC[N@H+]1C ZINC000120894999 177330326 /nfs/dbraw/zinc/33/03/26/177330326.db2.gz OOHAFMSVUWOQQR-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000121023086 179317142 /nfs/dbraw/zinc/31/71/42/179317142.db2.gz LGHGJUQNJXWCTK-CQSZACIVSA-N 2 1 246.398 3.082 20 0 BGADMP Cc1ccccc1[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000121023246 179334458 /nfs/dbraw/zinc/33/44/58/179334458.db2.gz LGHGJUQNJXWCTK-AWEZNQCLSA-N 2 1 246.398 3.082 20 0 BGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000122304083 411427329 /nfs/dbraw/zinc/42/73/29/411427329.db2.gz UOSUREDUSVHUDV-LZWOXQAQSA-N 2 1 246.398 3.115 20 0 BGADMP CC[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1[NH3+] ZINC000122309861 411427023 /nfs/dbraw/zinc/42/70/23/411427023.db2.gz ABGJUNXACVIOIW-CABCVRRESA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1[NH3+] ZINC000122310131 411428193 /nfs/dbraw/zinc/42/81/93/411428193.db2.gz ABGJUNXACVIOIW-GJZGRUSLSA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000122337670 411426692 /nfs/dbraw/zinc/42/66/92/411426692.db2.gz GQQPMZRWDQMCKL-CABCVRRESA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000122337893 411427935 /nfs/dbraw/zinc/42/79/35/411427935.db2.gz GQQPMZRWDQMCKL-GJZGRUSLSA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122361733 411431742 /nfs/dbraw/zinc/43/17/42/411431742.db2.gz KEHGDZIPFAFCIJ-KBMXLJTQSA-N 2 1 246.398 3.197 20 0 BGADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CCC[NH3+] ZINC000123282078 490212777 /nfs/dbraw/zinc/21/27/77/490212777.db2.gz BLVILDPYZMMAGQ-ZDUSSCGKSA-N 2 1 242.366 3.181 20 0 BGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)CCC[NH3+] ZINC000123282264 490212756 /nfs/dbraw/zinc/21/27/56/490212756.db2.gz BLVILDPYZMMAGQ-CYBMUJFWSA-N 2 1 242.366 3.181 20 0 BGADMP C[C@@H]1CC[C@H](C)[NH+]1CCC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123295303 177185615 /nfs/dbraw/zinc/18/56/15/177185615.db2.gz HNITZBYTSWWINU-NMWPEEMBSA-N 2 1 238.419 3.122 20 0 BGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123295746 177186347 /nfs/dbraw/zinc/18/63/47/177186347.db2.gz HNITZBYTSWWINU-TUVASFSCSA-N 2 1 238.419 3.122 20 0 BGADMP C[C@@H](c1cccc2ccccc21)[N@@H+](C)CCC[NH3+] ZINC000123331157 490221527 /nfs/dbraw/zinc/22/15/27/490221527.db2.gz YTDAMQVGTXSQLK-ZDUSSCGKSA-N 2 1 242.366 3.181 20 0 BGADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)CCC[NH3+] ZINC000123331381 490486983 /nfs/dbraw/zinc/48/69/83/490486983.db2.gz YTDAMQVGTXSQLK-CYBMUJFWSA-N 2 1 242.366 3.181 20 0 BGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCC[NH3+] ZINC000123331635 411448909 /nfs/dbraw/zinc/44/89/09/411448909.db2.gz ZZOYKBNCIUMFLL-ZDUSSCGKSA-N 2 1 248.414 3.326 20 0 BGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCC[NH3+] ZINC000123331842 411448919 /nfs/dbraw/zinc/44/89/19/411448919.db2.gz ZZOYKBNCIUMFLL-CYBMUJFWSA-N 2 1 248.414 3.326 20 0 BGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000123398443 387686769 /nfs/dbraw/zinc/68/67/69/387686769.db2.gz MMKSLGMUJNSOBI-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000123398692 387686622 /nfs/dbraw/zinc/68/66/22/387686622.db2.gz MMKSLGMUJNSOBI-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[NH+](C)Cc1cccc(C[N@H+](C)CCC)c1 ZINC000123520627 169081155 /nfs/dbraw/zinc/08/11/55/169081155.db2.gz JPLBYDFAMDGHKR-UHFFFAOYSA-N 2 1 248.414 3.370 20 0 BGADMP CCC[NH+](C)Cc1ccccc1C[N@H+](C)CCC ZINC000123521682 169081273 /nfs/dbraw/zinc/08/12/73/169081273.db2.gz AHSXXEUJEAOVRW-UHFFFAOYSA-N 2 1 248.414 3.370 20 0 BGADMP CCC[NH+](C)Cc1ccc(C[N@H+](C)CCC)cc1 ZINC000123596404 169080302 /nfs/dbraw/zinc/08/03/02/169080302.db2.gz WSORUGIFEYACJB-UHFFFAOYSA-N 2 1 248.414 3.370 20 0 BGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123672982 358506006 /nfs/dbraw/zinc/50/60/06/358506006.db2.gz YQBUJWQQBAXOOK-HOTGVXAUSA-N 2 1 248.414 3.443 20 0 BGADMP CC[C@H](c1ccccc1)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123673186 387590415 /nfs/dbraw/zinc/59/04/15/387590415.db2.gz YQBUJWQQBAXOOK-JKSUJKDBSA-N 2 1 248.414 3.443 20 0 BGADMP Cc1cccc([C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000123743197 179179093 /nfs/dbraw/zinc/17/90/93/179179093.db2.gz ZNDXTXYCSLHNAY-ZBFHGGJFSA-N 2 1 248.414 3.361 20 0 BGADMP Cc1cccc([C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000123743401 179193143 /nfs/dbraw/zinc/19/31/43/179193143.db2.gz ZNDXTXYCSLHNAY-HOCLYGCPSA-N 2 1 248.414 3.361 20 0 BGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C(C)C)c1 ZINC000123917103 387597711 /nfs/dbraw/zinc/59/77/11/387597711.db2.gz HSHOWNOLVCCFGE-AWEZNQCLSA-N 2 1 248.414 3.272 20 0 BGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C(C)C)c1 ZINC000123917324 387598772 /nfs/dbraw/zinc/59/87/72/387598772.db2.gz HSHOWNOLVCCFGE-CQSZACIVSA-N 2 1 248.414 3.272 20 0 BGADMP CC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000123958145 384602435 /nfs/dbraw/zinc/60/24/35/384602435.db2.gz COISSEIJQJTLTC-CYBMUJFWSA-N 2 1 234.387 3.026 20 0 BGADMP CC[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000123958351 171343191 /nfs/dbraw/zinc/34/31/91/171343191.db2.gz COISSEIJQJTLTC-ZDUSSCGKSA-N 2 1 234.387 3.026 20 0 BGADMP CC[C@@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000124291376 358515098 /nfs/dbraw/zinc/51/50/98/358515098.db2.gz VULXCGFJINIAHL-CABCVRRESA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000124291376 358515094 /nfs/dbraw/zinc/51/50/94/358515094.db2.gz VULXCGFJINIAHL-CABCVRRESA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124291376 358515092 /nfs/dbraw/zinc/51/50/92/358515092.db2.gz VULXCGFJINIAHL-CABCVRRESA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000124291595 387611430 /nfs/dbraw/zinc/61/14/30/387611430.db2.gz VULXCGFJINIAHL-GJZGRUSLSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000124291595 387611426 /nfs/dbraw/zinc/61/14/26/387611426.db2.gz VULXCGFJINIAHL-GJZGRUSLSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000124291595 387611421 /nfs/dbraw/zinc/61/14/21/387611421.db2.gz VULXCGFJINIAHL-GJZGRUSLSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@H](C)[NH+](C)CC(C)C[N@H+](C)[C@@H](C)CC ZINC000124421459 384639732 /nfs/dbraw/zinc/63/97/32/384639732.db2.gz KIOHEFQEBKHOGF-KBPBESRZSA-N 2 1 228.424 3.083 20 0 BGADMP CC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000124626381 358520675 /nfs/dbraw/zinc/52/06/75/358520675.db2.gz XDYXWYWUAWRCQA-OAHLLOKOSA-N 2 1 238.419 3.127 20 0 BGADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000124724931 343164966 /nfs/dbraw/zinc/16/49/66/343164966.db2.gz LIGJXEIZWYTGRC-OAHLLOKOSA-N 2 1 248.414 3.214 20 0 BGADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000124725157 343164597 /nfs/dbraw/zinc/16/45/97/343164597.db2.gz LIGJXEIZWYTGRC-HNNXBMFYSA-N 2 1 248.414 3.214 20 0 BGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000124759166 384790196 /nfs/dbraw/zinc/79/01/96/384790196.db2.gz XJTWWIPOUXYNIF-UHFFFAOYSA-N 2 1 248.414 3.025 20 0 BGADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000124761696 173346517 /nfs/dbraw/zinc/34/65/17/173346517.db2.gz YEHXCAXRQMERFB-LBPRGKRZSA-N 2 1 246.354 3.035 20 0 BGADMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000124761696 173346516 /nfs/dbraw/zinc/34/65/16/173346516.db2.gz YEHXCAXRQMERFB-LBPRGKRZSA-N 2 1 246.354 3.035 20 0 BGADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000124761862 173345889 /nfs/dbraw/zinc/34/58/89/173345889.db2.gz YEHXCAXRQMERFB-GFCCVEGCSA-N 2 1 246.354 3.035 20 0 BGADMP C[NH2+]CCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000124761862 173345887 /nfs/dbraw/zinc/34/58/87/173345887.db2.gz YEHXCAXRQMERFB-GFCCVEGCSA-N 2 1 246.354 3.035 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCCCCC1 ZINC000124782727 180237400 /nfs/dbraw/zinc/23/74/00/180237400.db2.gz SAXLEENZOFKGHR-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCCCCC1 ZINC000124782727 180237399 /nfs/dbraw/zinc/23/73/99/180237399.db2.gz SAXLEENZOFKGHR-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000124786714 388665697 /nfs/dbraw/zinc/66/56/97/388665697.db2.gz UUQYHIXDLHYXMI-CQSZACIVSA-N 2 1 248.414 3.412 20 0 BGADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000124786922 323000039 /nfs/dbraw/zinc/00/00/39/323000039.db2.gz UUQYHIXDLHYXMI-AWEZNQCLSA-N 2 1 248.414 3.412 20 0 BGADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC000125025617 358532040 /nfs/dbraw/zinc/53/20/40/358532040.db2.gz NXOWTKFFNROQAF-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC000125025617 358532038 /nfs/dbraw/zinc/53/20/38/358532038.db2.gz NXOWTKFFNROQAF-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP CC[N@H+]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC000125025845 358532098 /nfs/dbraw/zinc/53/20/98/358532098.db2.gz NXOWTKFFNROQAF-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC000125025845 358532094 /nfs/dbraw/zinc/53/20/94/358532094.db2.gz NXOWTKFFNROQAF-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000125107605 387643682 /nfs/dbraw/zinc/64/36/82/387643682.db2.gz JKMBLFGEJDCEPC-AWEZNQCLSA-N 2 1 238.419 3.124 20 0 BGADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000125107605 387643676 /nfs/dbraw/zinc/64/36/76/387643676.db2.gz JKMBLFGEJDCEPC-AWEZNQCLSA-N 2 1 238.419 3.124 20 0 BGADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCC1 ZINC000125107605 387643673 /nfs/dbraw/zinc/64/36/73/387643673.db2.gz JKMBLFGEJDCEPC-AWEZNQCLSA-N 2 1 238.419 3.124 20 0 BGADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000125107877 187394633 /nfs/dbraw/zinc/39/46/33/187394633.db2.gz JKMBLFGEJDCEPC-CQSZACIVSA-N 2 1 238.419 3.124 20 0 BGADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000125107877 187394631 /nfs/dbraw/zinc/39/46/31/187394631.db2.gz JKMBLFGEJDCEPC-CQSZACIVSA-N 2 1 238.419 3.124 20 0 BGADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCC1 ZINC000125107877 187394630 /nfs/dbraw/zinc/39/46/30/187394630.db2.gz JKMBLFGEJDCEPC-CQSZACIVSA-N 2 1 238.419 3.124 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000125108233 353173471 /nfs/dbraw/zinc/17/34/71/353173471.db2.gz GAXAOWCVMWINLW-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@H]1CCCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000125108414 386757328 /nfs/dbraw/zinc/75/73/28/386757328.db2.gz GAXAOWCVMWINLW-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)C1CCC1 ZINC000125250225 388671208 /nfs/dbraw/zinc/67/12/08/388671208.db2.gz BDWNFBFUOQJCOP-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP CC(C)[N@H+](CCC[NH+]1CCCCC1)C1CCC1 ZINC000125250225 388671207 /nfs/dbraw/zinc/67/12/07/388671207.db2.gz BDWNFBFUOQJCOP-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP CCCC(CCC)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125278338 388670864 /nfs/dbraw/zinc/67/08/64/388670864.db2.gz GKQBTXZAXFAYOW-UHFFFAOYSA-N 2 1 240.435 3.419 20 0 BGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000125282046 386789708 /nfs/dbraw/zinc/78/97/08/386789708.db2.gz UDDXCVLUJNTKEL-OAHLLOKOSA-N 2 1 238.419 3.018 20 0 BGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000125282276 386790319 /nfs/dbraw/zinc/79/03/19/386790319.db2.gz UDDXCVLUJNTKEL-HNNXBMFYSA-N 2 1 238.419 3.018 20 0 BGADMP C[N@@H+](CCC1CCCCC1)C1CCC([NH3+])CC1 ZINC000125294094 590160479 /nfs/dbraw/zinc/16/04/79/590160479.db2.gz NWBVEBYJJWUTNF-UHFFFAOYSA-N 2 1 238.419 3.159 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH+]1CCCCCCC1 ZINC000125427478 590163986 /nfs/dbraw/zinc/16/39/86/590163986.db2.gz HGSXPUJFXJCSRF-UHFFFAOYSA-N 2 1 249.402 3.238 20 0 BGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)CC1CC1 ZINC000125432454 169154395 /nfs/dbraw/zinc/15/43/95/169154395.db2.gz SYXMJWYBFNMRMV-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)CC1CC1 ZINC000125432454 169154394 /nfs/dbraw/zinc/15/43/94/169154394.db2.gz SYXMJWYBFNMRMV-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125444042 358539440 /nfs/dbraw/zinc/53/94/40/358539440.db2.gz UOWHSHJKXLIMGX-OAHLLOKOSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125444042 358539438 /nfs/dbraw/zinc/53/94/38/358539438.db2.gz UOWHSHJKXLIMGX-OAHLLOKOSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125444291 387657187 /nfs/dbraw/zinc/65/71/87/387657187.db2.gz UOWHSHJKXLIMGX-HNNXBMFYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125444291 387657183 /nfs/dbraw/zinc/65/71/83/387657183.db2.gz UOWHSHJKXLIMGX-HNNXBMFYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000125447928 358539138 /nfs/dbraw/zinc/53/91/38/358539138.db2.gz ILXZYKPSLQWSRG-OAHLLOKOSA-N 2 1 249.402 3.236 20 0 BGADMP CC[C@@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000125447928 358539136 /nfs/dbraw/zinc/53/91/36/358539136.db2.gz ILXZYKPSLQWSRG-OAHLLOKOSA-N 2 1 249.402 3.236 20 0 BGADMP CC[C@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000125448168 387657107 /nfs/dbraw/zinc/65/71/07/387657107.db2.gz ILXZYKPSLQWSRG-HNNXBMFYSA-N 2 1 249.402 3.236 20 0 BGADMP CC[C@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000125448168 387657106 /nfs/dbraw/zinc/65/71/06/387657106.db2.gz ILXZYKPSLQWSRG-HNNXBMFYSA-N 2 1 249.402 3.236 20 0 BGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C1CCCC1 ZINC000125469489 387655919 /nfs/dbraw/zinc/65/59/19/387655919.db2.gz IRGPCDVSAPICGB-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP CC[N@H+](CCCCn1cc[nH+]c1C)C1CCCC1 ZINC000125469489 387655917 /nfs/dbraw/zinc/65/59/17/387655917.db2.gz IRGPCDVSAPICGB-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP CCC[C@@H](CC)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000125487148 388672221 /nfs/dbraw/zinc/67/22/21/388672221.db2.gz JHAXXPSUXSIITJ-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H](CC)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000125487148 388672219 /nfs/dbraw/zinc/67/22/19/388672219.db2.gz JHAXXPSUXSIITJ-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](CC)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000125487344 388671873 /nfs/dbraw/zinc/67/18/73/388671873.db2.gz JHAXXPSUXSIITJ-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](CC)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000125487344 388671871 /nfs/dbraw/zinc/67/18/71/388671871.db2.gz JHAXXPSUXSIITJ-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125518883 590167153 /nfs/dbraw/zinc/16/71/53/590167153.db2.gz QMNDXQCUTGIURW-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCCCC[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125519029 590167190 /nfs/dbraw/zinc/16/71/90/590167190.db2.gz QMNDXQCUTGIURW-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125532062 388673767 /nfs/dbraw/zinc/67/37/67/388673767.db2.gz KTHGPDYYAWNKNC-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125532341 324643740 /nfs/dbraw/zinc/64/37/40/324643740.db2.gz KTHGPDYYAWNKNC-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125534465 388673757 /nfs/dbraw/zinc/67/37/57/388673757.db2.gz YRAKMHJSTOXVKD-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125534700 323001411 /nfs/dbraw/zinc/00/14/11/323001411.db2.gz YRAKMHJSTOXVKD-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@@H](CC)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125542391 388673820 /nfs/dbraw/zinc/67/38/20/388673820.db2.gz QLLWGMUYPIFQSO-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](CC)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125542618 388673485 /nfs/dbraw/zinc/67/34/85/388673485.db2.gz QLLWGMUYPIFQSO-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCCC1 ZINC000125544063 323001427 /nfs/dbraw/zinc/00/14/27/323001427.db2.gz SODAJYZAUWEHCC-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCCC1 ZINC000125544283 346597634 /nfs/dbraw/zinc/59/76/34/346597634.db2.gz SODAJYZAUWEHCC-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC2(C)C)CCCC1 ZINC000125548234 324644304 /nfs/dbraw/zinc/64/43/04/324644304.db2.gz PJSXGBXEXMLALT-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC2(C)C)CCCC1 ZINC000125548420 388673447 /nfs/dbraw/zinc/67/34/47/388673447.db2.gz PJSXGBXEXMLALT-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125744834 388675835 /nfs/dbraw/zinc/67/58/35/388675835.db2.gz MRIYBWFOEXDOKJ-ZNMIVQPWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125745237 388675975 /nfs/dbraw/zinc/67/59/75/388675975.db2.gz MRIYBWFOEXDOKJ-KKUMJFAQSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC000125897220 388681551 /nfs/dbraw/zinc/68/15/51/388681551.db2.gz HLBGIQPDANXRHR-GJZGRUSLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC000125897467 388681580 /nfs/dbraw/zinc/68/15/80/388681580.db2.gz HLBGIQPDANXRHR-LSDHHAIUSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC000125897690 388681590 /nfs/dbraw/zinc/68/15/90/388681590.db2.gz HLBGIQPDANXRHR-CABCVRRESA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC000125897903 388681305 /nfs/dbraw/zinc/68/13/05/388681305.db2.gz HLBGIQPDANXRHR-HUUCEWRRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)C)C1 ZINC000125937603 388683667 /nfs/dbraw/zinc/68/36/67/388683667.db2.gz UHWQGMCFCNARLN-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)C)C1 ZINC000125937839 388682879 /nfs/dbraw/zinc/68/28/79/388682879.db2.gz UHWQGMCFCNARLN-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000127364802 388721660 /nfs/dbraw/zinc/72/16/60/388721660.db2.gz UJRULGVLFJUNBI-OAHLLOKOSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000127364802 388721658 /nfs/dbraw/zinc/72/16/58/388721658.db2.gz UJRULGVLFJUNBI-OAHLLOKOSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000127365003 323005052 /nfs/dbraw/zinc/00/50/52/323005052.db2.gz UJRULGVLFJUNBI-HNNXBMFYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000127365003 323005051 /nfs/dbraw/zinc/00/50/51/323005051.db2.gz UJRULGVLFJUNBI-HNNXBMFYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1C(C)C ZINC000127365296 388721857 /nfs/dbraw/zinc/72/18/57/388721857.db2.gz JNCSBAXIQPVESU-OAHLLOKOSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1C(C)C ZINC000127365296 388721854 /nfs/dbraw/zinc/72/18/54/388721854.db2.gz JNCSBAXIQPVESU-OAHLLOKOSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1C(C)C ZINC000127365559 388721175 /nfs/dbraw/zinc/72/11/75/388721175.db2.gz JNCSBAXIQPVESU-HNNXBMFYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1C(C)C ZINC000127365559 388721173 /nfs/dbraw/zinc/72/11/73/388721173.db2.gz JNCSBAXIQPVESU-HNNXBMFYSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@]1(C)CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000127382645 388721190 /nfs/dbraw/zinc/72/11/90/388721190.db2.gz REWGXSUSMPDGCK-OAHLLOKOSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@]1(C)CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000127382645 388721189 /nfs/dbraw/zinc/72/11/89/388721189.db2.gz REWGXSUSMPDGCK-OAHLLOKOSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@@]1(C)CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000127382888 388721153 /nfs/dbraw/zinc/72/11/53/388721153.db2.gz REWGXSUSMPDGCK-HNNXBMFYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@@]1(C)CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000127382888 388721151 /nfs/dbraw/zinc/72/11/51/388721151.db2.gz REWGXSUSMPDGCK-HNNXBMFYSA-N 2 1 249.402 3.094 20 0 BGADMP CCC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000127402802 388722662 /nfs/dbraw/zinc/72/26/62/388722662.db2.gz KFPUGSKHIIRQMR-OAHLLOKOSA-N 2 1 249.402 3.094 20 0 BGADMP CCC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000127402802 388722660 /nfs/dbraw/zinc/72/26/60/388722660.db2.gz KFPUGSKHIIRQMR-OAHLLOKOSA-N 2 1 249.402 3.094 20 0 BGADMP CCC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000127403099 388722674 /nfs/dbraw/zinc/72/26/74/388722674.db2.gz KFPUGSKHIIRQMR-HNNXBMFYSA-N 2 1 249.402 3.094 20 0 BGADMP CCC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000127403099 388722672 /nfs/dbraw/zinc/72/26/72/388722672.db2.gz KFPUGSKHIIRQMR-HNNXBMFYSA-N 2 1 249.402 3.094 20 0 BGADMP CCC(CC)(CC)[NH2+]CCCn1cc[nH+]c1C ZINC000127442329 388724042 /nfs/dbraw/zinc/72/40/42/388724042.db2.gz SFMYWRCQLSCYGY-UHFFFAOYSA-N 2 1 237.391 3.140 20 0 BGADMP C[NH+]1CCC([NH2+]CC2(C)CCCCCC2)CC1 ZINC000127488866 344191773 /nfs/dbraw/zinc/19/17/73/344191773.db2.gz JAFVCUYPAHKACK-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C1=C(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000127737410 387724721 /nfs/dbraw/zinc/72/47/21/387724721.db2.gz YLMJKDCFAOFUOK-HZPDHXFCSA-N 2 1 248.414 3.093 20 0 BGADMP C1=C(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000127737613 387726807 /nfs/dbraw/zinc/72/68/07/387726807.db2.gz YLMJKDCFAOFUOK-JKSUJKDBSA-N 2 1 248.414 3.093 20 0 BGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCCC1 ZINC000127771468 636773824 /nfs/dbraw/zinc/77/38/24/636773824.db2.gz OTHHFMBKXZHQFZ-CQSZACIVSA-N 2 1 238.419 3.173 20 0 BGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCCC1 ZINC000127771696 632400224 /nfs/dbraw/zinc/40/02/24/632400224.db2.gz OTHHFMBKXZHQFZ-AWEZNQCLSA-N 2 1 238.419 3.173 20 0 BGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCCC2)C1 ZINC000127771949 632400923 /nfs/dbraw/zinc/40/09/23/632400923.db2.gz TYQLYWSSIIAOOW-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCCC2)C1 ZINC000127772175 636774571 /nfs/dbraw/zinc/77/45/71/636774571.db2.gz TYQLYWSSIIAOOW-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127914358 388734049 /nfs/dbraw/zinc/73/40/49/388734049.db2.gz LYACWCXALBGPPD-TUVASFSCSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127914358 388734047 /nfs/dbraw/zinc/73/40/47/388734047.db2.gz LYACWCXALBGPPD-TUVASFSCSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128057633 171298323 /nfs/dbraw/zinc/29/83/23/171298323.db2.gz YENXVINNILMMCE-BYNSBNAKSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000128158360 388739760 /nfs/dbraw/zinc/73/97/60/388739760.db2.gz MSJGABOMNNCGEG-SOUVJXGZSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000128158815 388739695 /nfs/dbraw/zinc/73/96/95/388739695.db2.gz MSJGABOMNNCGEG-KKUMJFAQSA-N 2 1 240.435 3.133 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCCCCC1 ZINC000128239350 388740554 /nfs/dbraw/zinc/74/05/54/388740554.db2.gz XMVIJMYVEAEQNT-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H](C)CC1CCC1)C(C)C ZINC000128384503 490579291 /nfs/dbraw/zinc/57/92/91/490579291.db2.gz ZKXKJEDYVLGWME-AWEZNQCLSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H](C)CC1CCC1)C(C)C ZINC000128384752 490578594 /nfs/dbraw/zinc/57/85/94/490578594.db2.gz ZKXKJEDYVLGWME-CQSZACIVSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+](C(C)C)C(C)C ZINC000128385905 324832626 /nfs/dbraw/zinc/83/26/26/324832626.db2.gz CUPNWQCHKNJPLX-CABCVRRESA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]1CCC[C@@H]1[NH2+]CC[NH+](C(C)C)C(C)C ZINC000128386099 388753691 /nfs/dbraw/zinc/75/36/91/388753691.db2.gz CUPNWQCHKNJPLX-GJZGRUSLSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H]1CCC[C@H]1[NH2+]CC[NH+](C(C)C)C(C)C ZINC000128386311 324832146 /nfs/dbraw/zinc/83/21/46/324832146.db2.gz CUPNWQCHKNJPLX-HUUCEWRRSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]1CCC[C@H]1[NH2+]CC[NH+](C(C)C)C(C)C ZINC000128386542 324832523 /nfs/dbraw/zinc/83/25/23/324832523.db2.gz CUPNWQCHKNJPLX-LSDHHAIUSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000128426171 187395316 /nfs/dbraw/zinc/39/53/16/187395316.db2.gz YDHULUQMXCATQU-DZGCQCFKSA-N 2 1 234.387 3.053 20 0 BGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000128426392 387745633 /nfs/dbraw/zinc/74/56/33/387745633.db2.gz YDHULUQMXCATQU-ZFWWWQNUSA-N 2 1 234.387 3.053 20 0 BGADMP C[C@@H](CC1CC1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000128448862 388760771 /nfs/dbraw/zinc/76/07/71/388760771.db2.gz QZDSYRYVNKZDGU-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CC1CC1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000128449116 388760842 /nfs/dbraw/zinc/76/08/42/388760842.db2.gz QZDSYRYVNKZDGU-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](CC1CC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000128552996 388771985 /nfs/dbraw/zinc/77/19/85/388771985.db2.gz JRDPBLVYJHIHFL-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](CC1CC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000128553205 388772011 /nfs/dbraw/zinc/77/20/11/388772011.db2.gz JRDPBLVYJHIHFL-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](CC1CCC1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000128596738 490583150 /nfs/dbraw/zinc/58/31/50/490583150.db2.gz NYJUGERSIJWSES-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CC1CCC1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000128596998 490582994 /nfs/dbraw/zinc/58/29/94/490582994.db2.gz NYJUGERSIJWSES-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000128598169 388776144 /nfs/dbraw/zinc/77/61/44/388776144.db2.gz JPFKKZURJGWACM-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000128598349 323174461 /nfs/dbraw/zinc/17/44/61/323174461.db2.gz JPFKKZURJGWACM-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000128598552 388775610 /nfs/dbraw/zinc/77/56/10/388775610.db2.gz JPFKKZURJGWACM-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000128598770 388776166 /nfs/dbraw/zinc/77/61/66/388776166.db2.gz JPFKKZURJGWACM-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)CC1CC1)[NH+](C)C ZINC000128916002 324897467 /nfs/dbraw/zinc/89/74/67/324897467.db2.gz TVNGUTUGWHVKBJ-SWLSCSKDSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)CC1CC1)[NH+](C)C ZINC000128916218 324896994 /nfs/dbraw/zinc/89/69/94/324896994.db2.gz TVNGUTUGWHVKBJ-WFASDCNBSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)CC1CC1)[NH+](C)C ZINC000128916469 323007962 /nfs/dbraw/zinc/00/79/62/323007962.db2.gz TVNGUTUGWHVKBJ-IUODEOHRSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@H](C)CC1CC1)[NH+](C)C ZINC000128916708 324897082 /nfs/dbraw/zinc/89/70/82/324897082.db2.gz TVNGUTUGWHVKBJ-DOMZBBRYSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC(C)(C)C1)C(C)C ZINC000129195374 187570942 /nfs/dbraw/zinc/57/09/42/187570942.db2.gz QIROEIIRIXRQNT-CQSZACIVSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H]1CCC(C)(C)C1)C(C)C ZINC000129195598 188085800 /nfs/dbraw/zinc/08/58/00/188085800.db2.gz QIROEIIRIXRQNT-AWEZNQCLSA-N 2 1 240.435 3.274 20 0 BGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000129286946 345253537 /nfs/dbraw/zinc/25/35/37/345253537.db2.gz VTQLBKGFXVFBBL-HUUCEWRRSA-N 2 1 240.435 3.086 20 0 BGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000129287143 343985991 /nfs/dbraw/zinc/98/59/91/343985991.db2.gz VTQLBKGFXVFBBL-LSDHHAIUSA-N 2 1 240.435 3.086 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129440256 591294647 /nfs/dbraw/zinc/29/46/47/591294647.db2.gz VHUWKDBNEYUIJJ-RRFJBIMHSA-N 2 1 240.435 3.418 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129440256 591294646 /nfs/dbraw/zinc/29/46/46/591294646.db2.gz VHUWKDBNEYUIJJ-RRFJBIMHSA-N 2 1 240.435 3.418 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129440696 591294755 /nfs/dbraw/zinc/29/47/55/591294755.db2.gz VHUWKDBNEYUIJJ-ZNMIVQPWSA-N 2 1 240.435 3.418 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129440696 591294752 /nfs/dbraw/zinc/29/47/52/591294752.db2.gz VHUWKDBNEYUIJJ-ZNMIVQPWSA-N 2 1 240.435 3.418 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129483357 323008744 /nfs/dbraw/zinc/00/87/44/323008744.db2.gz QQNAFTMEFTXNHR-RRFJBIMHSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129483357 323008743 /nfs/dbraw/zinc/00/87/43/323008743.db2.gz QQNAFTMEFTXNHR-RRFJBIMHSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129483579 388848413 /nfs/dbraw/zinc/84/84/13/388848413.db2.gz QQNAFTMEFTXNHR-SOUVJXGZSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129483579 388848408 /nfs/dbraw/zinc/84/84/08/388848408.db2.gz QQNAFTMEFTXNHR-SOUVJXGZSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129483812 388848122 /nfs/dbraw/zinc/84/81/22/388848122.db2.gz QQNAFTMEFTXNHR-ZNMIVQPWSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129483812 388848120 /nfs/dbraw/zinc/84/81/20/388848120.db2.gz QQNAFTMEFTXNHR-ZNMIVQPWSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129484055 388847921 /nfs/dbraw/zinc/84/79/21/388847921.db2.gz QQNAFTMEFTXNHR-KKUMJFAQSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129484055 388847917 /nfs/dbraw/zinc/84/79/17/388847917.db2.gz QQNAFTMEFTXNHR-KKUMJFAQSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)CC[N@H+]1C ZINC000129511347 591315077 /nfs/dbraw/zinc/31/50/77/591315077.db2.gz IZMBFFSXXGBYQO-UKRRQHHQSA-N 2 1 238.419 3.172 20 0 BGADMP C[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)CC[N@@H+]1C ZINC000129511347 591315074 /nfs/dbraw/zinc/31/50/74/591315074.db2.gz IZMBFFSXXGBYQO-UKRRQHHQSA-N 2 1 238.419 3.172 20 0 BGADMP C[C@H]1C[C@H]([NH2+]C2CCCCCCC2)CC[N@H+]1C ZINC000129511543 583598273 /nfs/dbraw/zinc/59/82/73/583598273.db2.gz IZMBFFSXXGBYQO-DZGCQCFKSA-N 2 1 238.419 3.172 20 0 BGADMP C[C@H]1C[C@H]([NH2+]C2CCCCCCC2)CC[N@@H+]1C ZINC000129511543 583598271 /nfs/dbraw/zinc/59/82/71/583598271.db2.gz IZMBFFSXXGBYQO-DZGCQCFKSA-N 2 1 238.419 3.172 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CC[N@H+]1C ZINC000129511779 591315137 /nfs/dbraw/zinc/31/51/37/591315137.db2.gz IZMBFFSXXGBYQO-HIFRSBDPSA-N 2 1 238.419 3.172 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CC[N@@H+]1C ZINC000129511779 591315135 /nfs/dbraw/zinc/31/51/35/591315135.db2.gz IZMBFFSXXGBYQO-HIFRSBDPSA-N 2 1 238.419 3.172 20 0 BGADMP C[C@H]1C[C@@H]([NH2+]C2CCCCCCC2)CC[N@H+]1C ZINC000129511994 591315232 /nfs/dbraw/zinc/31/52/32/591315232.db2.gz IZMBFFSXXGBYQO-ZFWWWQNUSA-N 2 1 238.419 3.172 20 0 BGADMP C[C@H]1C[C@@H]([NH2+]C2CCCCCCC2)CC[N@@H+]1C ZINC000129511994 591315229 /nfs/dbraw/zinc/31/52/29/591315229.db2.gz IZMBFFSXXGBYQO-ZFWWWQNUSA-N 2 1 238.419 3.172 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129525302 591320693 /nfs/dbraw/zinc/32/06/93/591320693.db2.gz HLBQZQNKJXGLMH-BFHYXJOUSA-N 2 1 226.408 3.028 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129525302 591320689 /nfs/dbraw/zinc/32/06/89/591320689.db2.gz HLBQZQNKJXGLMH-BFHYXJOUSA-N 2 1 226.408 3.028 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129525734 591320807 /nfs/dbraw/zinc/32/08/07/591320807.db2.gz HLBQZQNKJXGLMH-MJBXVCDLSA-N 2 1 226.408 3.028 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129525734 591320805 /nfs/dbraw/zinc/32/08/05/591320805.db2.gz HLBQZQNKJXGLMH-MJBXVCDLSA-N 2 1 226.408 3.028 20 0 BGADMP C[N@@H+](CC[NH2+][C@H]1CCC(C)(C)C1)C1CCCC1 ZINC000129531788 387772182 /nfs/dbraw/zinc/77/21/82/387772182.db2.gz WKXUZOLIIRPCQR-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+](CC[NH2+][C@H]1CCC(C)(C)C1)C1CCCC1 ZINC000129531788 387772177 /nfs/dbraw/zinc/77/21/77/387772177.db2.gz WKXUZOLIIRPCQR-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@@H+](CC[NH2+][C@@H]1CCC(C)(C)C1)C1CCCC1 ZINC000129531982 387773455 /nfs/dbraw/zinc/77/34/55/387773455.db2.gz WKXUZOLIIRPCQR-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+](CC[NH2+][C@@H]1CCC(C)(C)C1)C1CCCC1 ZINC000129531982 387773451 /nfs/dbraw/zinc/77/34/51/387773451.db2.gz WKXUZOLIIRPCQR-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129562881 388853580 /nfs/dbraw/zinc/85/35/80/388853580.db2.gz WYTHYFATOHGPLQ-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129563371 388853642 /nfs/dbraw/zinc/85/36/42/388853642.db2.gz WYTHYFATOHGPLQ-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129602828 179339441 /nfs/dbraw/zinc/33/94/41/179339441.db2.gz YYXLAPAVSWUGIC-QLFBSQMISA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129602828 179339439 /nfs/dbraw/zinc/33/94/39/179339439.db2.gz YYXLAPAVSWUGIC-QLFBSQMISA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129603041 179323035 /nfs/dbraw/zinc/32/30/35/179323035.db2.gz YYXLAPAVSWUGIC-KFWWJZLASA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129603041 179323033 /nfs/dbraw/zinc/32/30/33/179323033.db2.gz YYXLAPAVSWUGIC-KFWWJZLASA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129603233 179339547 /nfs/dbraw/zinc/33/95/47/179339547.db2.gz YYXLAPAVSWUGIC-ILXRZTDVSA-N 2 1 246.398 3.128 20 0 BGADMP C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CC[N@H+]1C ZINC000129908589 388876057 /nfs/dbraw/zinc/87/60/57/388876057.db2.gz UHQVUOAAANNMKU-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CC[N@H+]1C ZINC000129908732 388875950 /nfs/dbraw/zinc/87/59/50/388875950.db2.gz UHQVUOAAANNMKU-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CC[N@H+]1C ZINC000129908936 388876628 /nfs/dbraw/zinc/87/66/28/388876628.db2.gz UHQVUOAAANNMKU-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CC[N@H+]1C ZINC000129909166 388876240 /nfs/dbraw/zinc/87/62/40/388876240.db2.gz UHQVUOAAANNMKU-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130131882 385223007 /nfs/dbraw/zinc/22/30/07/385223007.db2.gz YKZABICNZAKFLU-RRFJBIMHSA-N 2 1 238.419 3.172 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130132312 358610491 /nfs/dbraw/zinc/61/04/91/358610491.db2.gz YKZABICNZAKFLU-SOUVJXGZSA-N 2 1 238.419 3.172 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130201414 358614236 /nfs/dbraw/zinc/61/42/36/358614236.db2.gz LRFCBOVPHZYMFC-RRFJBIMHSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130201848 358614209 /nfs/dbraw/zinc/61/42/09/358614209.db2.gz LRFCBOVPHZYMFC-SOUVJXGZSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130233148 325027611 /nfs/dbraw/zinc/02/76/11/325027611.db2.gz VYSPKBVDNFHVJY-RRFJBIMHSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130233512 325027587 /nfs/dbraw/zinc/02/75/87/325027587.db2.gz VYSPKBVDNFHVJY-SOUVJXGZSA-N 2 1 238.419 3.172 20 0 BGADMP Cc1cc(C)cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000130246918 385230004 /nfs/dbraw/zinc/23/00/04/385230004.db2.gz CIXZIECYFGSZGW-CQSZACIVSA-N 2 1 246.398 3.048 20 0 BGADMP Cc1cc(C)cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000130247143 385229820 /nfs/dbraw/zinc/22/98/20/385229820.db2.gz CIXZIECYFGSZGW-AWEZNQCLSA-N 2 1 246.398 3.048 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130278158 385235035 /nfs/dbraw/zinc/23/50/35/385235035.db2.gz BEFUOXHITNZUOD-IIAWOOMASA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000130278158 385235029 /nfs/dbraw/zinc/23/50/29/385235029.db2.gz BEFUOXHITNZUOD-IIAWOOMASA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130278343 385233750 /nfs/dbraw/zinc/23/37/50/385233750.db2.gz BEFUOXHITNZUOD-IJEWVQPXSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000130278343 385233748 /nfs/dbraw/zinc/23/37/48/385233748.db2.gz BEFUOXHITNZUOD-IJEWVQPXSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130278572 385233654 /nfs/dbraw/zinc/23/36/54/385233654.db2.gz BEFUOXHITNZUOD-FMKPAKJESA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000130278572 385233646 /nfs/dbraw/zinc/23/36/46/385233646.db2.gz BEFUOXHITNZUOD-FMKPAKJESA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130278771 385234803 /nfs/dbraw/zinc/23/48/03/385234803.db2.gz BEFUOXHITNZUOD-YCPHGPKFSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000130278771 385234797 /nfs/dbraw/zinc/23/47/97/385234797.db2.gz BEFUOXHITNZUOD-YCPHGPKFSA-N 2 1 246.398 3.128 20 0 BGADMP C[C@@H](CC1CCC1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000130693526 490445991 /nfs/dbraw/zinc/44/59/91/490445991.db2.gz YPHQMFGQXDBQAB-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](CC1CCC1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000130693526 490445984 /nfs/dbraw/zinc/44/59/84/490445984.db2.gz YPHQMFGQXDBQAB-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CC1CCC1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000130693749 490445377 /nfs/dbraw/zinc/44/53/77/490445377.db2.gz YPHQMFGQXDBQAB-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CC1CCC1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000130693749 490445372 /nfs/dbraw/zinc/44/53/72/490445372.db2.gz YPHQMFGQXDBQAB-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000130694810 325080897 /nfs/dbraw/zinc/08/08/97/325080897.db2.gz JHGSOFIRSFWXOE-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000130694810 325080894 /nfs/dbraw/zinc/08/08/94/325080894.db2.gz JHGSOFIRSFWXOE-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000130695003 325080688 /nfs/dbraw/zinc/08/06/88/325080688.db2.gz JHGSOFIRSFWXOE-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000130695003 325080685 /nfs/dbraw/zinc/08/06/85/325080685.db2.gz JHGSOFIRSFWXOE-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000130695202 325080547 /nfs/dbraw/zinc/08/05/47/325080547.db2.gz JHGSOFIRSFWXOE-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000130695202 325080544 /nfs/dbraw/zinc/08/05/44/325080544.db2.gz JHGSOFIRSFWXOE-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000130695407 325080744 /nfs/dbraw/zinc/08/07/44/325080744.db2.gz JHGSOFIRSFWXOE-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000130695407 325080741 /nfs/dbraw/zinc/08/07/41/325080741.db2.gz JHGSOFIRSFWXOE-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1cccc(C)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000130899199 358651596 /nfs/dbraw/zinc/65/15/96/358651596.db2.gz AGRIBGCKUGERGF-INIZCTEOSA-N 2 1 248.414 3.109 20 0 BGADMP Cc1cccc(C)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000130899412 358651583 /nfs/dbraw/zinc/65/15/83/358651583.db2.gz AGRIBGCKUGERGF-MRXNPFEDSA-N 2 1 248.414 3.109 20 0 BGADMP CCC(CC)[N@@H+](CCn1ccnc1)CC(C)C ZINC000131605633 325168880 /nfs/dbraw/zinc/16/88/80/325168880.db2.gz KIRNNWZOYRXHMM-UHFFFAOYSA-N 2 1 237.391 3.030 20 0 BGADMP CC1(C)CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000131846708 386225398 /nfs/dbraw/zinc/22/53/98/386225398.db2.gz HYAIJYMEZHFAIU-KBPBESRZSA-N 2 1 238.419 3.062 20 0 BGADMP CC1(C)CC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000131846924 353376850 /nfs/dbraw/zinc/37/68/50/353376850.db2.gz HYAIJYMEZHFAIU-KGLIPLIRSA-N 2 1 238.419 3.062 20 0 BGADMP CC1(C)CC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000131847150 386224987 /nfs/dbraw/zinc/22/49/87/386224987.db2.gz HYAIJYMEZHFAIU-UONOGXRCSA-N 2 1 238.419 3.062 20 0 BGADMP CC1(C)CC[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000131847354 353376779 /nfs/dbraw/zinc/37/67/79/353376779.db2.gz HYAIJYMEZHFAIU-ZIAGYGMSSA-N 2 1 238.419 3.062 20 0 BGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC(C)(C)C2)CCCC1 ZINC000132032346 358704418 /nfs/dbraw/zinc/70/44/18/358704418.db2.gz VOSUURARWKAUAP-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC(C)(C)C2)CCCC1 ZINC000132032551 358704368 /nfs/dbraw/zinc/70/43/68/358704368.db2.gz VOSUURARWKAUAP-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000132146274 353375237 /nfs/dbraw/zinc/37/52/37/353375237.db2.gz XGSLXKTZHSWZHJ-LSDHHAIUSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000132146451 386222130 /nfs/dbraw/zinc/22/21/30/386222130.db2.gz XGSLXKTZHSWZHJ-GJZGRUSLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCC[NH+](C)C/C=C/C[N@H+](C)CCCC ZINC000132339377 371793332 /nfs/dbraw/zinc/79/33/32/371793332.db2.gz AIOPLEWTKKSFMZ-MDZDMXLPSA-N 2 1 226.408 3.006 20 0 BGADMP CCC[C@@H](CC)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000132692815 384199456 /nfs/dbraw/zinc/19/94/56/384199456.db2.gz IPAIWCRLHQUHNC-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](CC)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000132693034 384199617 /nfs/dbraw/zinc/19/96/17/384199617.db2.gz IPAIWCRLHQUHNC-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC[NH3+] ZINC000133225337 411659965 /nfs/dbraw/zinc/65/99/65/411659965.db2.gz AYCZTFXDKOIMFB-ZDUSSCGKSA-N 2 1 240.778 3.072 20 0 BGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC[NH3+] ZINC000133225537 411659447 /nfs/dbraw/zinc/65/94/47/411659447.db2.gz AYCZTFXDKOIMFB-CYBMUJFWSA-N 2 1 240.778 3.072 20 0 BGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000133339258 358751847 /nfs/dbraw/zinc/75/18/47/358751847.db2.gz UICKXNZWIKPIHN-GDBMZVCRSA-N 2 1 248.414 3.095 20 0 BGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000133339502 358751742 /nfs/dbraw/zinc/75/17/42/358751742.db2.gz UICKXNZWIKPIHN-ZBFHGGJFSA-N 2 1 248.414 3.095 20 0 BGADMP Cc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1C ZINC000133401540 358753424 /nfs/dbraw/zinc/75/34/24/358753424.db2.gz UTUCQMSWBWGETO-INIZCTEOSA-N 2 1 248.414 3.109 20 0 BGADMP Cc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1C ZINC000133401739 358753169 /nfs/dbraw/zinc/75/31/69/358753169.db2.gz UTUCQMSWBWGETO-MRXNPFEDSA-N 2 1 248.414 3.109 20 0 BGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C/c1ccccc1 ZINC000133519431 358757840 /nfs/dbraw/zinc/75/78/40/358757840.db2.gz WDYGGLANUUFOMQ-OJXHRBAXSA-N 2 1 246.398 3.005 20 0 BGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C/c1ccccc1 ZINC000133519630 358758105 /nfs/dbraw/zinc/75/81/05/358758105.db2.gz WDYGGLANUUFOMQ-JCVNQNCUSA-N 2 1 246.398 3.005 20 0 BGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000133719294 411919510 /nfs/dbraw/zinc/91/95/10/411919510.db2.gz HFKQROLLSILCEO-CYBMUJFWSA-N 2 1 234.387 3.152 20 0 BGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000133719489 411919125 /nfs/dbraw/zinc/91/91/25/411919125.db2.gz HFKQROLLSILCEO-ZDUSSCGKSA-N 2 1 234.387 3.152 20 0 BGADMP CC(C)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000134282625 591912122 /nfs/dbraw/zinc/91/21/22/591912122.db2.gz MNZGYFZFFJDNSO-GOOCMWNKSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1CCCCCC[NH3+] ZINC000134364976 591922967 /nfs/dbraw/zinc/92/29/67/591922967.db2.gz DEHJFWBHDCGQQD-CQSZACIVSA-N 2 1 226.408 3.160 20 0 BGADMP CC[C@H]1CCCCC[N@H+]1CCCCCC[NH3+] ZINC000134365000 591923383 /nfs/dbraw/zinc/92/33/83/591923383.db2.gz DEHJFWBHDCGQQD-AWEZNQCLSA-N 2 1 226.408 3.160 20 0 BGADMP CCCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000134685658 345418862 /nfs/dbraw/zinc/41/88/62/345418862.db2.gz ZOADPIQCSSKLFR-AWEZNQCLSA-N 2 1 238.419 3.125 20 0 BGADMP CCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000134685681 358801074 /nfs/dbraw/zinc/80/10/74/358801074.db2.gz ZOADPIQCSSKLFR-CQSZACIVSA-N 2 1 238.419 3.125 20 0 BGADMP CCCCCC[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000136091290 592093014 /nfs/dbraw/zinc/09/30/14/592093014.db2.gz QDNOUVLCHKCTFG-LSDHHAIUSA-N 2 1 249.402 3.346 20 0 BGADMP CCCCCC[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000136091333 592093624 /nfs/dbraw/zinc/09/36/24/592093624.db2.gz QDNOUVLCHKCTFG-HUUCEWRRSA-N 2 1 249.402 3.346 20 0 BGADMP CC[C@@H]1CC[C@H](C)[N@H+]1CCCC1CC[NH2+]CC1 ZINC000136233641 487720718 /nfs/dbraw/zinc/72/07/18/487720718.db2.gz VJRUJQFKDTUWIZ-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CC[C@H](C)[N@H+]1CCCC1CC[NH2+]CC1 ZINC000136233676 487720092 /nfs/dbraw/zinc/72/00/92/487720092.db2.gz VJRUJQFKDTUWIZ-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CCCC1CC[NH2+]CC1 ZINC000136233722 487720115 /nfs/dbraw/zinc/72/01/15/487720115.db2.gz VJRUJQFKDTUWIZ-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CC[C@@H](C)[N@H+]1CCCC1CC[NH2+]CC1 ZINC000136233757 487720041 /nfs/dbraw/zinc/72/00/41/487720041.db2.gz VJRUJQFKDTUWIZ-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CC[C@H](C)[N@H+]1CCCCCCC[NH3+] ZINC000136237081 592102945 /nfs/dbraw/zinc/10/29/45/592102945.db2.gz UAPMOUBECOSHJH-UONOGXRCSA-N 2 1 226.408 3.159 20 0 BGADMP CC[C@H]1CC[C@H](C)[N@H+]1CCCCCCC[NH3+] ZINC000136237112 592102895 /nfs/dbraw/zinc/10/28/95/592102895.db2.gz UAPMOUBECOSHJH-KBPBESRZSA-N 2 1 226.408 3.159 20 0 BGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CCCCCCC[NH3+] ZINC000136237148 592102675 /nfs/dbraw/zinc/10/26/75/592102675.db2.gz UAPMOUBECOSHJH-ZIAGYGMSSA-N 2 1 226.408 3.159 20 0 BGADMP CC[C@H]1CC[C@@H](C)[N@H+]1CCCCCCC[NH3+] ZINC000136237189 592102589 /nfs/dbraw/zinc/10/25/89/592102589.db2.gz UAPMOUBECOSHJH-KGLIPLIRSA-N 2 1 226.408 3.159 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC1CCCC1 ZINC000136289845 388529050 /nfs/dbraw/zinc/52/90/50/388529050.db2.gz NNHPDCRMZAELIW-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC1CCCC1 ZINC000136289845 388529047 /nfs/dbraw/zinc/52/90/47/388529047.db2.gz NNHPDCRMZAELIW-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1nccn1CCC[N@H+](C)CCC1CCCC1 ZINC000136289845 388529044 /nfs/dbraw/zinc/52/90/44/388529044.db2.gz NNHPDCRMZAELIW-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CCCCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136305483 592105487 /nfs/dbraw/zinc/10/54/87/592105487.db2.gz JXAGXPGTOGXQIY-UHFFFAOYSA-N 2 1 237.391 3.094 20 0 BGADMP CCCCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000136305483 592105484 /nfs/dbraw/zinc/10/54/84/592105484.db2.gz JXAGXPGTOGXQIY-UHFFFAOYSA-N 2 1 237.391 3.094 20 0 BGADMP CC[N@@H+](CCCCCC[NH3+])Cc1ccccc1C ZINC000138542544 342901674 /nfs/dbraw/zinc/90/16/74/342901674.db2.gz YTHBSEQSNNJCFE-UHFFFAOYSA-N 2 1 248.414 3.336 20 0 BGADMP CCCC[NH+](C)C/C=C\C[N@H+](C)CCCC ZINC000144545678 362046598 /nfs/dbraw/zinc/04/65/98/362046598.db2.gz AIOPLEWTKKSFMZ-KTKRTIGZSA-N 2 1 226.408 3.006 20 0 BGADMP Cc1cccc(C)c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000149448259 638462448 /nfs/dbraw/zinc/46/24/48/638462448.db2.gz QRLCZFUSCYXNEL-UHFFFAOYSA-N 2 1 246.398 3.005 20 0 BGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCCCCC1 ZINC000149754361 134450891 /nfs/dbraw/zinc/45/08/91/134450891.db2.gz WVHQSQFYRBYTEL-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCCCCC1 ZINC000149957039 385529845 /nfs/dbraw/zinc/52/98/45/385529845.db2.gz WVHQSQFYRBYTEL-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C1CCCCCC1 ZINC000150183418 384488163 /nfs/dbraw/zinc/48/81/63/384488163.db2.gz GLFOYTUTOVNBGP-ZDUSSCGKSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C1CCCCCC1 ZINC000150281200 384492536 /nfs/dbraw/zinc/49/25/36/384492536.db2.gz GLFOYTUTOVNBGP-CYBMUJFWSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@@H](C[NH2+][C@@H](C)C1CCCC1)[NH+]1CCCC1 ZINC000151712142 323024948 /nfs/dbraw/zinc/02/49/48/323024948.db2.gz JJEQBEFFDTWLOV-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C[NH2+][C@@H](C)C1CCCC1)[NH+]1CCCC1 ZINC000151712219 323024925 /nfs/dbraw/zinc/02/49/25/323024925.db2.gz JJEQBEFFDTWLOV-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C[NH2+][C@H](C)C1CCCC1)[NH+]1CCCC1 ZINC000151712287 323024950 /nfs/dbraw/zinc/02/49/50/323024950.db2.gz JJEQBEFFDTWLOV-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C[NH2+][C@H](C)C1CCCC1)[NH+]1CCCC1 ZINC000151712349 323024909 /nfs/dbraw/zinc/02/49/09/323024909.db2.gz JJEQBEFFDTWLOV-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC000151994259 385146093 /nfs/dbraw/zinc/14/60/93/385146093.db2.gz QCEZNQMBXZQKIX-GFCCVEGCSA-N 2 1 243.354 3.240 20 0 BGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC000151994344 385146461 /nfs/dbraw/zinc/14/64/61/385146461.db2.gz QCEZNQMBXZQKIX-LBPRGKRZSA-N 2 1 243.354 3.240 20 0 BGADMP CC(C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152948047 201213295 /nfs/dbraw/zinc/21/32/95/201213295.db2.gz QSUPIZASUADSKP-INIZCTEOSA-N 2 1 246.398 3.039 20 0 BGADMP CC(C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152948047 201213291 /nfs/dbraw/zinc/21/32/91/201213291.db2.gz QSUPIZASUADSKP-INIZCTEOSA-N 2 1 246.398 3.039 20 0 BGADMP CC(C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152948126 201214270 /nfs/dbraw/zinc/21/42/70/201214270.db2.gz QSUPIZASUADSKP-MRXNPFEDSA-N 2 1 246.398 3.039 20 0 BGADMP CC(C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152948126 201214266 /nfs/dbraw/zinc/21/42/66/201214266.db2.gz QSUPIZASUADSKP-MRXNPFEDSA-N 2 1 246.398 3.039 20 0 BGADMP CCC[NH+]1CCC([N@@H+](C)CC(CC)CC)CC1 ZINC000153884478 201251497 /nfs/dbraw/zinc/25/14/97/201251497.db2.gz WWDVHJHSXXDABI-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000153892598 201252636 /nfs/dbraw/zinc/25/26/36/201252636.db2.gz RLYWWAATDYCLCL-DZGCQCFKSA-N 2 1 240.435 3.085 20 0 BGADMP CCC(CC)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000153892598 201252633 /nfs/dbraw/zinc/25/26/33/201252633.db2.gz RLYWWAATDYCLCL-DZGCQCFKSA-N 2 1 240.435 3.085 20 0 BGADMP CCC(CC)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000153892718 201252801 /nfs/dbraw/zinc/25/28/01/201252801.db2.gz RLYWWAATDYCLCL-ZFWWWQNUSA-N 2 1 240.435 3.085 20 0 BGADMP CCC(CC)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000153892718 201252798 /nfs/dbraw/zinc/25/27/98/201252798.db2.gz RLYWWAATDYCLCL-ZFWWWQNUSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC000153894301 201250643 /nfs/dbraw/zinc/25/06/43/201250643.db2.gz GVWVPJQLQKWIFH-HNNXBMFYSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC000153894301 201250640 /nfs/dbraw/zinc/25/06/40/201250640.db2.gz GVWVPJQLQKWIFH-HNNXBMFYSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC000153894301 201250635 /nfs/dbraw/zinc/25/06/35/201250635.db2.gz GVWVPJQLQKWIFH-HNNXBMFYSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC000153894414 201253789 /nfs/dbraw/zinc/25/37/89/201253789.db2.gz GVWVPJQLQKWIFH-OAHLLOKOSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(CC)CC)C1 ZINC000153894414 201253786 /nfs/dbraw/zinc/25/37/86/201253786.db2.gz GVWVPJQLQKWIFH-OAHLLOKOSA-N 2 1 240.435 3.086 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154702010 642190364 /nfs/dbraw/zinc/19/03/64/642190364.db2.gz UKMZRCMIQZBWNI-AWEZNQCLSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154702122 642190133 /nfs/dbraw/zinc/19/01/33/642190133.db2.gz UKMZRCMIQZBWNI-CQSZACIVSA-N 2 1 246.398 3.021 20 0 BGADMP CC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000154866994 170754252 /nfs/dbraw/zinc/75/42/52/170754252.db2.gz HLVKEJPGMFELCK-CQSZACIVSA-N 2 1 248.414 3.415 20 0 BGADMP CC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000154867125 171344189 /nfs/dbraw/zinc/34/41/89/171344189.db2.gz HLVKEJPGMFELCK-AWEZNQCLSA-N 2 1 248.414 3.415 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000156168383 345130743 /nfs/dbraw/zinc/13/07/43/345130743.db2.gz NUCIHXDNNGLFKA-IJEWVQPXSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000156168383 345130742 /nfs/dbraw/zinc/13/07/42/345130742.db2.gz NUCIHXDNNGLFKA-IJEWVQPXSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000156168516 345130768 /nfs/dbraw/zinc/13/07/68/345130768.db2.gz NUCIHXDNNGLFKA-YCPHGPKFSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000156168516 345130767 /nfs/dbraw/zinc/13/07/67/345130767.db2.gz NUCIHXDNNGLFKA-YCPHGPKFSA-N 2 1 246.398 3.128 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000156187115 385442009 /nfs/dbraw/zinc/44/20/09/385442009.db2.gz VSPHHYUYBJLKQJ-BMFZPTHFSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000156187115 385442007 /nfs/dbraw/zinc/44/20/07/385442007.db2.gz VSPHHYUYBJLKQJ-BMFZPTHFSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000156187239 387935388 /nfs/dbraw/zinc/93/53/88/387935388.db2.gz VSPHHYUYBJLKQJ-FVQBIDKESA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000156187239 387935378 /nfs/dbraw/zinc/93/53/78/387935378.db2.gz VSPHHYUYBJLKQJ-FVQBIDKESA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000156187362 385441607 /nfs/dbraw/zinc/44/16/07/385441607.db2.gz VSPHHYUYBJLKQJ-KBMXLJTQSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000156187362 385441601 /nfs/dbraw/zinc/44/16/01/385441601.db2.gz VSPHHYUYBJLKQJ-KBMXLJTQSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000156187495 387934994 /nfs/dbraw/zinc/93/49/94/387934994.db2.gz VSPHHYUYBJLKQJ-VNQPRFMTSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000156187495 387934990 /nfs/dbraw/zinc/93/49/90/387934990.db2.gz VSPHHYUYBJLKQJ-VNQPRFMTSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000156216034 326223045 /nfs/dbraw/zinc/22/30/45/326223045.db2.gz ZDUQTVYPSWYAOB-HUUCEWRRSA-N 2 1 248.414 3.285 20 0 BGADMP CC[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000156216163 326223119 /nfs/dbraw/zinc/22/31/19/326223119.db2.gz ZDUQTVYPSWYAOB-LSDHHAIUSA-N 2 1 248.414 3.285 20 0 BGADMP CC[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000156216300 326223145 /nfs/dbraw/zinc/22/31/45/326223145.db2.gz ZDUQTVYPSWYAOB-CABCVRRESA-N 2 1 248.414 3.285 20 0 BGADMP CC[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000156216418 326222817 /nfs/dbraw/zinc/22/28/17/326222817.db2.gz ZDUQTVYPSWYAOB-GJZGRUSLSA-N 2 1 248.414 3.285 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H](C)C(C)(C)C)C(C)C ZINC000156254006 387949363 /nfs/dbraw/zinc/94/93/63/387949363.db2.gz GBPKVJFZULLWJO-ZDUSSCGKSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H](C)C(C)(C)C)C(C)C ZINC000156254134 387950355 /nfs/dbraw/zinc/95/03/55/387950355.db2.gz GBPKVJFZULLWJO-CYBMUJFWSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1CC1 ZINC000156255529 326225258 /nfs/dbraw/zinc/22/52/58/326225258.db2.gz YKJHEEQEVAODPO-HNNXBMFYSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1CC1 ZINC000156255656 326225323 /nfs/dbraw/zinc/22/53/23/326225323.db2.gz YKJHEEQEVAODPO-OAHLLOKOSA-N 2 1 240.435 3.129 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156574983 388002727 /nfs/dbraw/zinc/00/27/27/388002727.db2.gz MDXKDFHTAVOQAR-LJISPDSOSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156574983 388002725 /nfs/dbraw/zinc/00/27/25/388002725.db2.gz MDXKDFHTAVOQAR-LJISPDSOSA-N 2 1 240.435 3.274 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156584832 388005867 /nfs/dbraw/zinc/00/58/67/388005867.db2.gz KUYXAGWGVFBIQU-HZSPNIEDSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156584832 388005861 /nfs/dbraw/zinc/00/58/61/388005861.db2.gz KUYXAGWGVFBIQU-HZSPNIEDSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156585080 388005651 /nfs/dbraw/zinc/00/56/51/388005651.db2.gz KUYXAGWGVFBIQU-RDBSUJKOSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156585080 388005647 /nfs/dbraw/zinc/00/56/47/388005647.db2.gz KUYXAGWGVFBIQU-RDBSUJKOSA-N 2 1 226.408 3.028 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC2(C)C)CC[N@H+]1C ZINC000156590269 388007926 /nfs/dbraw/zinc/00/79/26/388007926.db2.gz YLSAZGBTOXNZAD-MGPQQGTHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC2(C)C)CC[N@@H+]1C ZINC000156590269 388007920 /nfs/dbraw/zinc/00/79/20/388007920.db2.gz YLSAZGBTOXNZAD-MGPQQGTHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2(C)C)CC[N@H+]1C ZINC000156590523 388007845 /nfs/dbraw/zinc/00/78/45/388007845.db2.gz YLSAZGBTOXNZAD-HZSPNIEDSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2(C)C)CC[N@@H+]1C ZINC000156590523 388007839 /nfs/dbraw/zinc/00/78/39/388007839.db2.gz YLSAZGBTOXNZAD-HZSPNIEDSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2C)CC[N@H+]1C ZINC000156601189 538787789 /nfs/dbraw/zinc/78/77/89/538787789.db2.gz YEAHWUDMYBOUHF-TUVASFSCSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2C)CC[N@@H+]1C ZINC000156601189 538787784 /nfs/dbraw/zinc/78/77/84/538787784.db2.gz YEAHWUDMYBOUHF-TUVASFSCSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC[NH+](C)[C@H]1CCC[N@H+](CCCC)CC1 ZINC000156945367 323068084 /nfs/dbraw/zinc/06/80/84/323068084.db2.gz HLYKLARKPWKKJA-HNNXBMFYSA-N 2 1 240.435 3.373 20 0 BGADMP CCCC[N@@H+](C)[C@H]1CCC[NH+](CCCC)CC1 ZINC000156945367 323068083 /nfs/dbraw/zinc/06/80/83/323068083.db2.gz HLYKLARKPWKKJA-HNNXBMFYSA-N 2 1 240.435 3.373 20 0 BGADMP CCCC[NH+](C)[C@@H]1CCC[N@@H+](CCCC)CC1 ZINC000156945531 326250148 /nfs/dbraw/zinc/25/01/48/326250148.db2.gz HLYKLARKPWKKJA-OAHLLOKOSA-N 2 1 240.435 3.373 20 0 BGADMP CCCC[NH+](C)[C@@H]1CCC[N@H+](CCCC)CC1 ZINC000156945531 326250146 /nfs/dbraw/zinc/25/01/46/326250146.db2.gz HLYKLARKPWKKJA-OAHLLOKOSA-N 2 1 240.435 3.373 20 0 BGADMP CCCC[N@@H+](C)[C@@H]1CCC[NH+](CCCC)CC1 ZINC000156945531 326250144 /nfs/dbraw/zinc/25/01/44/326250144.db2.gz HLYKLARKPWKKJA-OAHLLOKOSA-N 2 1 240.435 3.373 20 0 BGADMP CC(C)C[NH+](C)[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000156963002 538805707 /nfs/dbraw/zinc/80/57/07/538805707.db2.gz MGVZOIVBZKMGJR-HNNXBMFYSA-N 2 1 240.435 3.085 20 0 BGADMP CC(C)C[NH+](C)[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC000156963002 538805701 /nfs/dbraw/zinc/80/57/01/538805701.db2.gz MGVZOIVBZKMGJR-HNNXBMFYSA-N 2 1 240.435 3.085 20 0 BGADMP CC(C)C[N@@H+](C)[C@H]1CCC[NH+](CC(C)C)CC1 ZINC000156963002 538805697 /nfs/dbraw/zinc/80/56/97/538805697.db2.gz MGVZOIVBZKMGJR-HNNXBMFYSA-N 2 1 240.435 3.085 20 0 BGADMP CC(C)C[NH+](C)[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000156963161 538805409 /nfs/dbraw/zinc/80/54/09/538805409.db2.gz MGVZOIVBZKMGJR-OAHLLOKOSA-N 2 1 240.435 3.085 20 0 BGADMP CC(C)C[NH+](C)[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC000156963161 538805404 /nfs/dbraw/zinc/80/54/04/538805404.db2.gz MGVZOIVBZKMGJR-OAHLLOKOSA-N 2 1 240.435 3.085 20 0 BGADMP CC(C)C[N@@H+](C)[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC000156963161 538805398 /nfs/dbraw/zinc/80/53/98/538805398.db2.gz MGVZOIVBZKMGJR-OAHLLOKOSA-N 2 1 240.435 3.085 20 0 BGADMP CCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157150637 345247228 /nfs/dbraw/zinc/24/72/28/345247228.db2.gz MHUPEFZZUYWHRF-HNNXBMFYSA-N 2 1 238.419 3.127 20 0 BGADMP CCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157150789 345247232 /nfs/dbraw/zinc/24/72/32/345247232.db2.gz MHUPEFZZUYWHRF-OAHLLOKOSA-N 2 1 238.419 3.127 20 0 BGADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1(C)CC1 ZINC000157450651 385183584 /nfs/dbraw/zinc/18/35/84/385183584.db2.gz HYZKVRBKPUFULA-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1(C)CC1 ZINC000157450651 385183575 /nfs/dbraw/zinc/18/35/75/385183575.db2.gz HYZKVRBKPUFULA-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1(C)CC1 ZINC000157450785 385184611 /nfs/dbraw/zinc/18/46/11/385184611.db2.gz HYZKVRBKPUFULA-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1(C)CC1 ZINC000157450785 385184602 /nfs/dbraw/zinc/18/46/02/385184602.db2.gz HYZKVRBKPUFULA-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000157455757 326276138 /nfs/dbraw/zinc/27/61/38/326276138.db2.gz PHJIPOJPKPEPAB-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CC1 ZINC000157455757 326276136 /nfs/dbraw/zinc/27/61/36/326276136.db2.gz PHJIPOJPKPEPAB-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000157455904 326276111 /nfs/dbraw/zinc/27/61/11/326276111.db2.gz PHJIPOJPKPEPAB-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CC1 ZINC000157455904 326276109 /nfs/dbraw/zinc/27/61/09/326276109.db2.gz PHJIPOJPKPEPAB-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[NH+](CCC[N@H+](C(C)C)C1CC1)C1CC1 ZINC000157530055 323069760 /nfs/dbraw/zinc/06/97/60/323069760.db2.gz ZZQDXONXRPNQDH-UHFFFAOYSA-N 2 1 238.419 3.122 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)CC[N@H+]1C ZINC000157726273 385260918 /nfs/dbraw/zinc/26/09/18/385260918.db2.gz BCOKQWNWLSDZHZ-APIJFGDWSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)CC[N@@H+]1C ZINC000157726273 385260912 /nfs/dbraw/zinc/26/09/12/385260912.db2.gz BCOKQWNWLSDZHZ-APIJFGDWSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000157859434 385293677 /nfs/dbraw/zinc/29/36/77/385293677.db2.gz WATZGFPZTUNOEC-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000157859583 385295143 /nfs/dbraw/zinc/29/51/43/385295143.db2.gz WATZGFPZTUNOEC-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000157881517 387881072 /nfs/dbraw/zinc/88/10/72/387881072.db2.gz XIZIZKRLAMPXQC-KGLIPLIRSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000157881666 387881837 /nfs/dbraw/zinc/88/18/37/387881837.db2.gz XIZIZKRLAMPXQC-KBPBESRZSA-N 2 1 226.408 3.029 20 0 BGADMP CC(C)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000157918558 385311187 /nfs/dbraw/zinc/31/11/87/385311187.db2.gz CMUFOGXVTBXTJQ-CABCVRRESA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000157918712 385311203 /nfs/dbraw/zinc/31/12/03/385311203.db2.gz CMUFOGXVTBXTJQ-GJZGRUSLSA-N 2 1 240.435 3.133 20 0 BGADMP CCCCCC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000158076728 631662738 /nfs/dbraw/zinc/66/27/38/631662738.db2.gz IVESDFLAZIQWSN-UHFFFAOYSA-N 2 1 240.435 3.373 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158200232 326311241 /nfs/dbraw/zinc/31/12/41/326311241.db2.gz BHKWKZAUGFOSFT-SOUVJXGZSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158200531 326311257 /nfs/dbraw/zinc/31/12/57/326311257.db2.gz BHKWKZAUGFOSFT-KKUMJFAQSA-N 2 1 240.435 3.133 20 0 BGADMP Cc1cccc(NCC[C@@H](C)[NH+]2CCCCC2)[nH+]1 ZINC000158486461 345338793 /nfs/dbraw/zinc/33/87/93/345338793.db2.gz DJZUFQDPANQJLX-CQSZACIVSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1cccc(NCC[C@H](C)[NH+]2CCCCC2)[nH+]1 ZINC000158486603 345338332 /nfs/dbraw/zinc/33/83/32/345338332.db2.gz DJZUFQDPANQJLX-AWEZNQCLSA-N 2 1 247.386 3.066 20 0 BGADMP CC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158587107 326329827 /nfs/dbraw/zinc/32/98/27/326329827.db2.gz PZBKBXKEBOUKDO-QLFBSQMISA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158587231 326329734 /nfs/dbraw/zinc/32/97/34/326329734.db2.gz PZBKBXKEBOUKDO-ZNMIVQPWSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000158912048 345387927 /nfs/dbraw/zinc/38/79/27/345387927.db2.gz UHCPQWVJMMQEBF-MGPQQGTHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)CC[N@@H+]1C ZINC000158912048 345387924 /nfs/dbraw/zinc/38/79/24/345387924.db2.gz UHCPQWVJMMQEBF-MGPQQGTHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000158912315 345387706 /nfs/dbraw/zinc/38/77/06/345387706.db2.gz UHCPQWVJMMQEBF-HZSPNIEDSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)CC[N@@H+]1C ZINC000158912315 345387704 /nfs/dbraw/zinc/38/77/04/345387704.db2.gz UHCPQWVJMMQEBF-HZSPNIEDSA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@@H](C)[C@@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000159299856 326394848 /nfs/dbraw/zinc/39/48/48/326394848.db2.gz URLNZKMNBWUYGQ-UKRRQHHQSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000159300018 326394909 /nfs/dbraw/zinc/39/49/09/326394909.db2.gz URLNZKMNBWUYGQ-DZGCQCFKSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@@H](C)[C@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000159300148 326394903 /nfs/dbraw/zinc/39/49/03/326394903.db2.gz URLNZKMNBWUYGQ-HIFRSBDPSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000159300269 323075017 /nfs/dbraw/zinc/07/50/17/323075017.db2.gz URLNZKMNBWUYGQ-ZFWWWQNUSA-N 2 1 240.435 3.275 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000161641642 349480125 /nfs/dbraw/zinc/48/01/25/349480125.db2.gz ODFOCNITNIZRLS-OKILXGFUSA-N 2 1 249.402 3.235 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000161641642 349480121 /nfs/dbraw/zinc/48/01/21/349480121.db2.gz ODFOCNITNIZRLS-OKILXGFUSA-N 2 1 249.402 3.235 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000161641775 349479794 /nfs/dbraw/zinc/47/97/94/349479794.db2.gz ODFOCNITNIZRLS-KBPBESRZSA-N 2 1 249.402 3.235 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000161641901 349480097 /nfs/dbraw/zinc/48/00/97/349480097.db2.gz ODFOCNITNIZRLS-ZIAGYGMSSA-N 2 1 249.402 3.235 20 0 BGADMP CCC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000161786045 133516102 /nfs/dbraw/zinc/51/61/02/133516102.db2.gz ZPASMGAKSUGALR-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC(C)(C)C1 ZINC000161835155 349510560 /nfs/dbraw/zinc/51/05/60/349510560.db2.gz CDHSCZKTVFCGKN-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC(C)(C)C1 ZINC000161835155 349510557 /nfs/dbraw/zinc/51/05/57/349510557.db2.gz CDHSCZKTVFCGKN-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](C(C)C)C1CCC1 ZINC000162009886 349536863 /nfs/dbraw/zinc/53/68/63/349536863.db2.gz QDKFYWWUXONBKI-UHFFFAOYSA-N 2 1 249.402 3.235 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](C(C)C)C1CCC1 ZINC000162009886 349536859 /nfs/dbraw/zinc/53/68/59/349536859.db2.gz QDKFYWWUXONBKI-UHFFFAOYSA-N 2 1 249.402 3.235 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000162119656 349568399 /nfs/dbraw/zinc/56/83/99/349568399.db2.gz ORHKAWGMWMJHBI-KGLIPLIRSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000162119656 349568394 /nfs/dbraw/zinc/56/83/94/349568394.db2.gz ORHKAWGMWMJHBI-KGLIPLIRSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000162119781 349569324 /nfs/dbraw/zinc/56/93/24/349569324.db2.gz ORHKAWGMWMJHBI-KBPBESRZSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000162119781 349569321 /nfs/dbraw/zinc/56/93/21/349569321.db2.gz ORHKAWGMWMJHBI-KBPBESRZSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000162227503 349597099 /nfs/dbraw/zinc/59/70/99/349597099.db2.gz QIATUNKAKYMWIG-ZDUSSCGKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000162227503 349597096 /nfs/dbraw/zinc/59/70/96/349597096.db2.gz QIATUNKAKYMWIG-ZDUSSCGKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CCCC[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000162227503 349597093 /nfs/dbraw/zinc/59/70/93/349597093.db2.gz QIATUNKAKYMWIG-ZDUSSCGKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)C1(C)CC1 ZINC000162227622 349596949 /nfs/dbraw/zinc/59/69/49/349596949.db2.gz QIATUNKAKYMWIG-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000162227622 349596948 /nfs/dbraw/zinc/59/69/48/349596948.db2.gz QIATUNKAKYMWIG-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CCCC[N@H+](C)[C@H](C)C1(C)CC1 ZINC000162227622 349596945 /nfs/dbraw/zinc/59/69/45/349596945.db2.gz QIATUNKAKYMWIG-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000162715455 178159953 /nfs/dbraw/zinc/15/99/53/178159953.db2.gz KABYNZYMCCOKJJ-AWEZNQCLSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1cc(NCCC[N@@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000162715605 178159315 /nfs/dbraw/zinc/15/93/15/178159315.db2.gz KABYNZYMCCOKJJ-CQSZACIVSA-N 2 1 247.386 3.066 20 0 BGADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000162792851 711680309 /nfs/dbraw/zinc/68/03/09/711680309.db2.gz RDDAWYDEZHROAW-GJZGRUSLSA-N 2 1 238.419 3.160 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000163277678 326313774 /nfs/dbraw/zinc/31/37/74/326313774.db2.gz GXAQCKXUWJAHJN-KKUMJFAQSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000163312134 350517284 /nfs/dbraw/zinc/51/72/84/350517284.db2.gz RBTBCGZQKSZIHY-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000163312268 350517061 /nfs/dbraw/zinc/51/70/61/350517061.db2.gz RBTBCGZQKSZIHY-KKUMJFAQSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000163312393 350516673 /nfs/dbraw/zinc/51/66/73/350516673.db2.gz RBTBCGZQKSZIHY-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000163312504 350517171 /nfs/dbraw/zinc/51/71/71/350517171.db2.gz RBTBCGZQKSZIHY-SOUVJXGZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163468876 385074601 /nfs/dbraw/zinc/07/46/01/385074601.db2.gz KFKFAUKMKJHFMI-NUEKZKHPSA-N 2 1 246.398 3.054 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCCCCC1 ZINC000163631498 350612753 /nfs/dbraw/zinc/61/27/53/350612753.db2.gz MQSNHBBWIYAPDQ-UHFFFAOYSA-N 2 1 226.408 3.029 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C1CCCC1 ZINC000164694546 203299689 /nfs/dbraw/zinc/29/96/89/203299689.db2.gz VFLHEVBPWPKLHF-ZDUSSCGKSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C1CCCC1 ZINC000164694653 203299587 /nfs/dbraw/zinc/29/95/87/203299587.db2.gz VFLHEVBPWPKLHF-CYBMUJFWSA-N 2 1 249.402 3.140 20 0 BGADMP CCCC(CCC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000165255433 385093331 /nfs/dbraw/zinc/09/33/31/385093331.db2.gz BORHMKYVTHLCQE-UHFFFAOYSA-N 2 1 228.424 3.275 20 0 BGADMP CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000165261036 353269213 /nfs/dbraw/zinc/26/92/13/353269213.db2.gz QZPVTEWPZMDZGK-GOOCMWNKSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC(CCC)[NH2+]CC[N@@H+](C)[C@@H](C)CC ZINC000165286042 203383351 /nfs/dbraw/zinc/38/33/51/203383351.db2.gz BLQQYBWKOISWGL-ZDUSSCGKSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC(CCC)[NH2+]CC[N@H+](C)[C@@H](C)CC ZINC000165286042 203383348 /nfs/dbraw/zinc/38/33/48/203383348.db2.gz BLQQYBWKOISWGL-ZDUSSCGKSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC(CCC)[NH2+]CC[N@@H+](C)[C@H](C)CC ZINC000165286168 385098802 /nfs/dbraw/zinc/09/88/02/385098802.db2.gz BLQQYBWKOISWGL-CYBMUJFWSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC(CCC)[NH2+]CC[N@H+](C)[C@H](C)CC ZINC000165286168 385098798 /nfs/dbraw/zinc/09/87/98/385098798.db2.gz BLQQYBWKOISWGL-CYBMUJFWSA-N 2 1 228.424 3.275 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCCC1(C)C ZINC000165639418 326425121 /nfs/dbraw/zinc/42/51/21/326425121.db2.gz ZCZHMZJZKFRCPF-CQSZACIVSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCCC1(C)C ZINC000165639545 326425112 /nfs/dbraw/zinc/42/51/12/326425112.db2.gz ZCZHMZJZKFRCPF-AWEZNQCLSA-N 2 1 249.402 3.140 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000166232849 326431650 /nfs/dbraw/zinc/43/16/50/326431650.db2.gz MZPCYVZBVYMZFG-ZFWWWQNUSA-N 2 1 238.419 3.051 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000166232968 388422674 /nfs/dbraw/zinc/42/26/74/388422674.db2.gz MZPCYVZBVYMZFG-HIFRSBDPSA-N 2 1 238.419 3.051 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000166233090 326431710 /nfs/dbraw/zinc/43/17/10/326431710.db2.gz MZPCYVZBVYMZFG-DZGCQCFKSA-N 2 1 238.419 3.051 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000166233213 326431697 /nfs/dbraw/zinc/43/16/97/326431697.db2.gz MZPCYVZBVYMZFG-UKRRQHHQSA-N 2 1 238.419 3.051 20 0 BGADMP CCCC[C@H](CCC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166365228 385241869 /nfs/dbraw/zinc/24/18/69/385241869.db2.gz VEOIOOLPQRZJNO-QLFBSQMISA-N 2 1 240.435 3.418 20 0 BGADMP CCCC[C@H](CCC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166365228 385241863 /nfs/dbraw/zinc/24/18/63/385241863.db2.gz VEOIOOLPQRZJNO-QLFBSQMISA-N 2 1 240.435 3.418 20 0 BGADMP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166365447 398002884 /nfs/dbraw/zinc/00/28/84/398002884.db2.gz VEOIOOLPQRZJNO-ILXRZTDVSA-N 2 1 240.435 3.418 20 0 BGADMP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166365447 398002880 /nfs/dbraw/zinc/00/28/80/398002880.db2.gz VEOIOOLPQRZJNO-ILXRZTDVSA-N 2 1 240.435 3.418 20 0 BGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)CCC(C)C ZINC000166557208 361851776 /nfs/dbraw/zinc/85/17/76/361851776.db2.gz QHWLVYZUJUEYBX-KBPBESRZSA-N 2 1 228.424 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCC(C)C ZINC000166557308 361851928 /nfs/dbraw/zinc/85/19/28/361851928.db2.gz QHWLVYZUJUEYBX-UONOGXRCSA-N 2 1 228.424 3.131 20 0 BGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)CCC(C)C ZINC000166557418 361851764 /nfs/dbraw/zinc/85/17/64/361851764.db2.gz QHWLVYZUJUEYBX-KGLIPLIRSA-N 2 1 228.424 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCC(C)C ZINC000166557525 361852108 /nfs/dbraw/zinc/85/21/08/361852108.db2.gz QHWLVYZUJUEYBX-ZIAGYGMSSA-N 2 1 228.424 3.131 20 0 BGADMP CCCCC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166560607 633117590 /nfs/dbraw/zinc/11/75/90/633117590.db2.gz SXCJOSRURBRAGZ-CQSZACIVSA-N 2 1 228.424 3.275 20 0 BGADMP CCCCC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166560709 633117972 /nfs/dbraw/zinc/11/79/72/633117972.db2.gz SXCJOSRURBRAGZ-AWEZNQCLSA-N 2 1 228.424 3.275 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccs1 ZINC000166563708 187303303 /nfs/dbraw/zinc/30/33/03/187303303.db2.gz IKZMYZBXMNHJDI-LBPRGKRZSA-N 2 1 240.416 3.129 20 0 BGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccs1 ZINC000166563708 187303301 /nfs/dbraw/zinc/30/33/01/187303301.db2.gz IKZMYZBXMNHJDI-LBPRGKRZSA-N 2 1 240.416 3.129 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccs1 ZINC000166563813 385256322 /nfs/dbraw/zinc/25/63/22/385256322.db2.gz IKZMYZBXMNHJDI-GFCCVEGCSA-N 2 1 240.416 3.129 20 0 BGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccs1 ZINC000166563813 385256313 /nfs/dbraw/zinc/25/63/13/385256313.db2.gz IKZMYZBXMNHJDI-GFCCVEGCSA-N 2 1 240.416 3.129 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166564928 355693435 /nfs/dbraw/zinc/69/34/35/355693435.db2.gz GWOBIXXTYJWTKD-CQSZACIVSA-N 2 1 228.424 3.131 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166565053 355693555 /nfs/dbraw/zinc/69/35/55/355693555.db2.gz GWOBIXXTYJWTKD-AWEZNQCLSA-N 2 1 228.424 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccsc1 ZINC000166567407 188337742 /nfs/dbraw/zinc/33/77/42/188337742.db2.gz ASWCHMZYGBPRCX-LBPRGKRZSA-N 2 1 240.416 3.129 20 0 BGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccsc1 ZINC000166567407 188337740 /nfs/dbraw/zinc/33/77/40/188337740.db2.gz ASWCHMZYGBPRCX-LBPRGKRZSA-N 2 1 240.416 3.129 20 0 BGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccsc1 ZINC000166567407 188337739 /nfs/dbraw/zinc/33/77/39/188337739.db2.gz ASWCHMZYGBPRCX-LBPRGKRZSA-N 2 1 240.416 3.129 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccsc1 ZINC000166567537 385257269 /nfs/dbraw/zinc/25/72/69/385257269.db2.gz ASWCHMZYGBPRCX-GFCCVEGCSA-N 2 1 240.416 3.129 20 0 BGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccsc1 ZINC000166567537 385257265 /nfs/dbraw/zinc/25/72/65/385257265.db2.gz ASWCHMZYGBPRCX-GFCCVEGCSA-N 2 1 240.416 3.129 20 0 BGADMP CCCC[C@@H](CC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166567667 388254775 /nfs/dbraw/zinc/25/47/75/388254775.db2.gz SCDSSYYIHYUSNQ-CQSZACIVSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@H](CC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166567784 388254781 /nfs/dbraw/zinc/25/47/81/388254781.db2.gz SCDSSYYIHYUSNQ-AWEZNQCLSA-N 2 1 228.424 3.275 20 0 BGADMP CC[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](CC)CC ZINC000166583810 388255290 /nfs/dbraw/zinc/25/52/90/388255290.db2.gz HMFZCSZMWVOJJT-ZIAGYGMSSA-N 2 1 228.424 3.131 20 0 BGADMP CC[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](CC)CC ZINC000166583931 388255096 /nfs/dbraw/zinc/25/50/96/388255096.db2.gz HMFZCSZMWVOJJT-UONOGXRCSA-N 2 1 228.424 3.131 20 0 BGADMP CC[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](CC)CC ZINC000166584051 388254872 /nfs/dbraw/zinc/25/48/72/388254872.db2.gz HMFZCSZMWVOJJT-KGLIPLIRSA-N 2 1 228.424 3.131 20 0 BGADMP CC[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](CC)CC ZINC000166584166 529180837 /nfs/dbraw/zinc/18/08/37/529180837.db2.gz HMFZCSZMWVOJJT-KBPBESRZSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[C@@H](CC)[NH2+]CC[N@@H+](C)[C@@H](C)CC ZINC000167226644 385304914 /nfs/dbraw/zinc/30/49/14/385304914.db2.gz BXYFGGAZRFFXFQ-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](CC)[NH2+]CC[N@H+](C)[C@@H](C)CC ZINC000167226644 385304909 /nfs/dbraw/zinc/30/49/09/385304909.db2.gz BXYFGGAZRFFXFQ-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@H](CC)[NH2+]CC[N@@H+](C)[C@@H](C)CC ZINC000167226750 206145175 /nfs/dbraw/zinc/14/51/75/206145175.db2.gz BXYFGGAZRFFXFQ-KBPBESRZSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@H](CC)[NH2+]CC[N@H+](C)[C@@H](C)CC ZINC000167226750 206145171 /nfs/dbraw/zinc/14/51/71/206145171.db2.gz BXYFGGAZRFFXFQ-KBPBESRZSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC ZINC000167357249 206144295 /nfs/dbraw/zinc/14/42/95/206144295.db2.gz NOJLMFSITRGMOA-UONOGXRCSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC ZINC000167357249 206144294 /nfs/dbraw/zinc/14/42/94/206144294.db2.gz NOJLMFSITRGMOA-UONOGXRCSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC ZINC000167357353 206146185 /nfs/dbraw/zinc/14/61/85/206146185.db2.gz NOJLMFSITRGMOA-KBPBESRZSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC ZINC000167357353 206146180 /nfs/dbraw/zinc/14/61/80/206146180.db2.gz NOJLMFSITRGMOA-KBPBESRZSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@@H](C)[N@H+](C)C/C=C/C[NH+](C)[C@@H](C)CC ZINC000170915571 367400919 /nfs/dbraw/zinc/40/09/19/367400919.db2.gz DEYQXYOGNLPLTE-BTUFVMOBSA-N 2 1 226.408 3.003 20 0 BGADMP CC[C@@H](C)[N@@H+](C)C/C=C/C[NH+](C)[C@@H](C)CC ZINC000170915571 367400913 /nfs/dbraw/zinc/40/09/13/367400913.db2.gz DEYQXYOGNLPLTE-BTUFVMOBSA-N 2 1 226.408 3.003 20 0 BGADMP CC[C@@H](C)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)CC ZINC000170915571 367400912 /nfs/dbraw/zinc/40/09/12/367400912.db2.gz DEYQXYOGNLPLTE-BTUFVMOBSA-N 2 1 226.408 3.003 20 0 BGADMP CC[C@H](C)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)CC ZINC000170915573 367400313 /nfs/dbraw/zinc/40/03/13/367400313.db2.gz DEYQXYOGNLPLTE-KYXFNPKGSA-N 2 1 226.408 3.003 20 0 BGADMP CC[NH+](C/C=C/C[N@H+](CC)C(C)C)C(C)C ZINC000171056594 640951861 /nfs/dbraw/zinc/95/18/61/640951861.db2.gz BABSDNJMHNXKNU-MDZDMXLPSA-N 2 1 226.408 3.003 20 0 BGADMP C1=C[C@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000172576871 134268272 /nfs/dbraw/zinc/26/82/72/134268272.db2.gz VORZYQHIVOPIIV-JKSUJKDBSA-N 2 1 248.414 3.045 20 0 BGADMP C1=C[C@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000172576874 134268164 /nfs/dbraw/zinc/26/81/64/134268164.db2.gz VORZYQHIVOPIIV-HOTGVXAUSA-N 2 1 248.414 3.045 20 0 BGADMP C[NH+](CCC[N@H+](C)C1CCCC1)C1CCCC1 ZINC000172648414 529885467 /nfs/dbraw/zinc/88/54/67/529885467.db2.gz FNIWNLPKGMCFOH-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP CC[NH+](CCCCC[N@H+](CC)C1CC1)C1CC1 ZINC000172649776 134267169 /nfs/dbraw/zinc/26/71/69/134267169.db2.gz REPSXGAFESAKIT-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP Cc1cccc([C@@H](C)[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000173522160 365427212 /nfs/dbraw/zinc/42/72/12/365427212.db2.gz IIFAVRDWUQRWFM-CQSZACIVSA-N 2 1 246.398 3.082 20 0 BGADMP Cc1cccc([C@H](C)[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000173522173 365427399 /nfs/dbraw/zinc/42/73/99/365427399.db2.gz IIFAVRDWUQRWFM-AWEZNQCLSA-N 2 1 246.398 3.082 20 0 BGADMP C[NH+](CCCCC[N@H+](C)C1CCC1)C1CCC1 ZINC000173616812 536329631 /nfs/dbraw/zinc/32/96/31/536329631.db2.gz ZUTSUVMNGMFULL-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000173915458 384736324 /nfs/dbraw/zinc/73/63/24/384736324.db2.gz OLGYLDWZEDUOGM-GJZGRUSLSA-N 2 1 246.398 3.021 20 0 BGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000173915458 384736317 /nfs/dbraw/zinc/73/63/17/384736317.db2.gz OLGYLDWZEDUOGM-GJZGRUSLSA-N 2 1 246.398 3.021 20 0 BGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000173915458 384736310 /nfs/dbraw/zinc/73/63/10/384736310.db2.gz OLGYLDWZEDUOGM-GJZGRUSLSA-N 2 1 246.398 3.021 20 0 BGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000173915475 384735333 /nfs/dbraw/zinc/73/53/33/384735333.db2.gz OLGYLDWZEDUOGM-LSDHHAIUSA-N 2 1 246.398 3.021 20 0 BGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000173915475 384735331 /nfs/dbraw/zinc/73/53/31/384735331.db2.gz OLGYLDWZEDUOGM-LSDHHAIUSA-N 2 1 246.398 3.021 20 0 BGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000173915475 384735327 /nfs/dbraw/zinc/73/53/27/384735327.db2.gz OLGYLDWZEDUOGM-LSDHHAIUSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@@H]1CCC[N@@H+]1CCCCC[NH+]1CCC[C@@H]1C ZINC000173987627 134277602 /nfs/dbraw/zinc/27/76/02/134277602.db2.gz WXUNRKFQNZDHOA-GASCZTMLSA-N 2 1 238.419 3.125 20 0 BGADMP C[C@@H]1CCC[N@H+]1CCCCC[NH+]1CCC[C@@H]1C ZINC000173987627 134277601 /nfs/dbraw/zinc/27/76/01/134277601.db2.gz WXUNRKFQNZDHOA-GASCZTMLSA-N 2 1 238.419 3.125 20 0 BGADMP C[C@@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@@H]1C ZINC000173987627 134277600 /nfs/dbraw/zinc/27/76/00/134277600.db2.gz WXUNRKFQNZDHOA-GASCZTMLSA-N 2 1 238.419 3.125 20 0 BGADMP C[C@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@@H]1C ZINC000173987639 134277777 /nfs/dbraw/zinc/27/77/77/134277777.db2.gz WXUNRKFQNZDHOA-GJZGRUSLSA-N 2 1 238.419 3.125 20 0 BGADMP CCCCCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174212584 641256656 /nfs/dbraw/zinc/25/66/56/641256656.db2.gz TWXIAXSYIQEUIF-OAHLLOKOSA-N 2 1 240.435 3.230 20 0 BGADMP CCCCCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174212596 641257283 /nfs/dbraw/zinc/25/72/83/641257283.db2.gz TWXIAXSYIQEUIF-HNNXBMFYSA-N 2 1 240.435 3.230 20 0 BGADMP CCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000175718199 643100010 /nfs/dbraw/zinc/10/00/10/643100010.db2.gz ZVSHNIRWSKMJDB-LSDHHAIUSA-N 2 1 240.435 3.229 20 0 BGADMP CCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000175718199 643100004 /nfs/dbraw/zinc/10/00/04/643100004.db2.gz ZVSHNIRWSKMJDB-LSDHHAIUSA-N 2 1 240.435 3.229 20 0 BGADMP CCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000175718199 643099999 /nfs/dbraw/zinc/09/99/99/643099999.db2.gz ZVSHNIRWSKMJDB-LSDHHAIUSA-N 2 1 240.435 3.229 20 0 BGADMP CCCCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000175718223 643098826 /nfs/dbraw/zinc/09/88/26/643098826.db2.gz ZVSHNIRWSKMJDB-GJZGRUSLSA-N 2 1 240.435 3.229 20 0 BGADMP CCCCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000175718223 643098818 /nfs/dbraw/zinc/09/88/18/643098818.db2.gz ZVSHNIRWSKMJDB-GJZGRUSLSA-N 2 1 240.435 3.229 20 0 BGADMP CCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000175718223 643098809 /nfs/dbraw/zinc/09/88/09/643098809.db2.gz ZVSHNIRWSKMJDB-GJZGRUSLSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)C)[C@H](C)C1 ZINC000175718874 365580430 /nfs/dbraw/zinc/58/04/30/365580430.db2.gz IHMYYLDTLBWIQI-KGLIPLIRSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)C)[C@H](C)C1 ZINC000175718874 365580424 /nfs/dbraw/zinc/58/04/24/365580424.db2.gz IHMYYLDTLBWIQI-KGLIPLIRSA-N 2 1 240.435 3.085 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C)[C@H](C)C1 ZINC000175718874 365580421 /nfs/dbraw/zinc/58/04/21/365580421.db2.gz IHMYYLDTLBWIQI-KGLIPLIRSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)C)[C@H](C)C1 ZINC000175718895 365579631 /nfs/dbraw/zinc/57/96/31/365579631.db2.gz IHMYYLDTLBWIQI-ZIAGYGMSSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)C)[C@H](C)C1 ZINC000175718895 365579628 /nfs/dbraw/zinc/57/96/28/365579628.db2.gz IHMYYLDTLBWIQI-ZIAGYGMSSA-N 2 1 240.435 3.085 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C)[C@H](C)C1 ZINC000175718895 365579627 /nfs/dbraw/zinc/57/96/27/365579627.db2.gz IHMYYLDTLBWIQI-ZIAGYGMSSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC000176283405 365706869 /nfs/dbraw/zinc/70/68/69/365706869.db2.gz MMIGBFYHCGUFNC-AWEZNQCLSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC000176283424 365706465 /nfs/dbraw/zinc/70/64/65/365706465.db2.gz MMIGBFYHCGUFNC-CQSZACIVSA-N 2 1 240.435 3.086 20 0 BGADMP CCCCCC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000176283544 631656974 /nfs/dbraw/zinc/65/69/74/631656974.db2.gz RTIBYMHSSBTSKB-OAHLLOKOSA-N 2 1 240.435 3.230 20 0 BGADMP CCCCCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000176283544 631656973 /nfs/dbraw/zinc/65/69/73/631656973.db2.gz RTIBYMHSSBTSKB-OAHLLOKOSA-N 2 1 240.435 3.230 20 0 BGADMP CCCCCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000176283544 631656972 /nfs/dbraw/zinc/65/69/72/631656972.db2.gz RTIBYMHSSBTSKB-OAHLLOKOSA-N 2 1 240.435 3.230 20 0 BGADMP CCCCCC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000176283566 631657411 /nfs/dbraw/zinc/65/74/11/631657411.db2.gz RTIBYMHSSBTSKB-HNNXBMFYSA-N 2 1 240.435 3.230 20 0 BGADMP CCCCCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000176283566 631657410 /nfs/dbraw/zinc/65/74/10/631657410.db2.gz RTIBYMHSSBTSKB-HNNXBMFYSA-N 2 1 240.435 3.230 20 0 BGADMP CCCCCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000176283566 631657405 /nfs/dbraw/zinc/65/74/05/631657405.db2.gz RTIBYMHSSBTSKB-HNNXBMFYSA-N 2 1 240.435 3.230 20 0 BGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000177220393 134296004 /nfs/dbraw/zinc/29/60/04/134296004.db2.gz VJKKXSHNDWNDCY-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000177220408 134296037 /nfs/dbraw/zinc/29/60/37/134296037.db2.gz VJKKXSHNDWNDCY-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CC2)c1 ZINC000177298083 385216469 /nfs/dbraw/zinc/21/64/69/385216469.db2.gz DPBKOODRUMKLAV-ZDUSSCGKSA-N 2 1 246.398 3.026 20 0 BGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CC2)c1 ZINC000177298102 385216447 /nfs/dbraw/zinc/21/64/47/385216447.db2.gz DPBKOODRUMKLAV-CYBMUJFWSA-N 2 1 246.398 3.026 20 0 BGADMP CC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177978853 134302072 /nfs/dbraw/zinc/30/20/72/134302072.db2.gz FBXKDWPMLHNDPZ-CQSZACIVSA-N 2 1 248.414 3.415 20 0 BGADMP CC[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177978867 134302164 /nfs/dbraw/zinc/30/21/64/134302164.db2.gz FBXKDWPMLHNDPZ-AWEZNQCLSA-N 2 1 248.414 3.415 20 0 BGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCC1 ZINC000178371073 134309278 /nfs/dbraw/zinc/30/92/78/134309278.db2.gz ZPPGMHUZVGXWFR-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCC1 ZINC000178371086 134309250 /nfs/dbraw/zinc/30/92/50/134309250.db2.gz ZPPGMHUZVGXWFR-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](c1ccccc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000178440341 176019921 /nfs/dbraw/zinc/01/99/21/176019921.db2.gz ZBBQUOMOTHOHQM-HOCLYGCPSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@@H](c1ccccc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000178440341 176019920 /nfs/dbraw/zinc/01/99/20/176019920.db2.gz ZBBQUOMOTHOHQM-HOCLYGCPSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000178440341 176019919 /nfs/dbraw/zinc/01/99/19/176019919.db2.gz ZBBQUOMOTHOHQM-HOCLYGCPSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@H](c1ccccc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000178440352 177037495 /nfs/dbraw/zinc/03/74/95/177037495.db2.gz ZBBQUOMOTHOHQM-ZBFHGGJFSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000178440352 177037493 /nfs/dbraw/zinc/03/74/93/177037493.db2.gz ZBBQUOMOTHOHQM-ZBFHGGJFSA-N 2 1 246.398 3.164 20 0 BGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC000178440993 366124248 /nfs/dbraw/zinc/12/42/48/366124248.db2.gz LVOHCLCHJDXFEW-OAHLLOKOSA-N 2 1 238.419 3.125 20 0 BGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC000178440993 366124246 /nfs/dbraw/zinc/12/42/46/366124246.db2.gz LVOHCLCHJDXFEW-OAHLLOKOSA-N 2 1 238.419 3.125 20 0 BGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC000178440993 366124245 /nfs/dbraw/zinc/12/42/45/366124245.db2.gz LVOHCLCHJDXFEW-OAHLLOKOSA-N 2 1 238.419 3.125 20 0 BGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC000178441003 366124145 /nfs/dbraw/zinc/12/41/45/366124145.db2.gz LVOHCLCHJDXFEW-HNNXBMFYSA-N 2 1 238.419 3.125 20 0 BGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC000178441003 366124141 /nfs/dbraw/zinc/12/41/41/366124141.db2.gz LVOHCLCHJDXFEW-HNNXBMFYSA-N 2 1 238.419 3.125 20 0 BGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC000178441003 366124137 /nfs/dbraw/zinc/12/41/37/366124137.db2.gz LVOHCLCHJDXFEW-HNNXBMFYSA-N 2 1 238.419 3.125 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CCCCC1 ZINC000178531036 366135786 /nfs/dbraw/zinc/13/57/86/366135786.db2.gz YYNYQBLXJKVALZ-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CCCCC1 ZINC000178531036 366135782 /nfs/dbraw/zinc/13/57/82/366135782.db2.gz YYNYQBLXJKVALZ-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCCCCC1 ZINC000179155408 366213415 /nfs/dbraw/zinc/21/34/15/366213415.db2.gz SWZAXGDWLVWOGY-UHFFFAOYSA-N 2 1 238.419 3.127 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000179250625 346978580 /nfs/dbraw/zinc/97/85/80/346978580.db2.gz KKOOQLMKGFRWFU-KBPBESRZSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000179250625 346978578 /nfs/dbraw/zinc/97/85/78/346978578.db2.gz KKOOQLMKGFRWFU-KBPBESRZSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000179250632 134319504 /nfs/dbraw/zinc/31/95/04/134319504.db2.gz KKOOQLMKGFRWFU-KGLIPLIRSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000179250632 134319503 /nfs/dbraw/zinc/31/95/03/134319503.db2.gz KKOOQLMKGFRWFU-KGLIPLIRSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C)CC1 ZINC000179412506 384290463 /nfs/dbraw/zinc/29/04/63/384290463.db2.gz VCRFPTOYANTOEY-AWEZNQCLSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C)CC1 ZINC000179412506 384290459 /nfs/dbraw/zinc/29/04/59/384290459.db2.gz VCRFPTOYANTOEY-AWEZNQCLSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1nccn1CCCC[N@@H+]1CCC[C@H](C)CC1 ZINC000179412506 384290454 /nfs/dbraw/zinc/29/04/54/384290454.db2.gz VCRFPTOYANTOEY-AWEZNQCLSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C)CC1 ZINC000179412516 384288775 /nfs/dbraw/zinc/28/87/75/384288775.db2.gz VCRFPTOYANTOEY-CQSZACIVSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C)CC1 ZINC000179412516 384288771 /nfs/dbraw/zinc/28/87/71/384288771.db2.gz VCRFPTOYANTOEY-CQSZACIVSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](C)CC1 ZINC000179412516 384288768 /nfs/dbraw/zinc/28/87/68/384288768.db2.gz VCRFPTOYANTOEY-CQSZACIVSA-N 2 1 249.402 3.094 20 0 BGADMP CCC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000179521635 535410411 /nfs/dbraw/zinc/41/04/11/535410411.db2.gz UVUNHRVWQSJZBB-LSDHHAIUSA-N 2 1 238.419 3.125 20 0 BGADMP CCC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000179521635 535410410 /nfs/dbraw/zinc/41/04/10/535410410.db2.gz UVUNHRVWQSJZBB-LSDHHAIUSA-N 2 1 238.419 3.125 20 0 BGADMP CCC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000179521635 535410407 /nfs/dbraw/zinc/41/04/07/535410407.db2.gz UVUNHRVWQSJZBB-LSDHHAIUSA-N 2 1 238.419 3.125 20 0 BGADMP CCC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000179521641 134321601 /nfs/dbraw/zinc/32/16/01/134321601.db2.gz UVUNHRVWQSJZBB-GJZGRUSLSA-N 2 1 238.419 3.125 20 0 BGADMP CCC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000179521641 134321600 /nfs/dbraw/zinc/32/16/00/134321600.db2.gz UVUNHRVWQSJZBB-GJZGRUSLSA-N 2 1 238.419 3.125 20 0 BGADMP CCC[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000179521641 134321599 /nfs/dbraw/zinc/32/15/99/134321599.db2.gz UVUNHRVWQSJZBB-GJZGRUSLSA-N 2 1 238.419 3.125 20 0 BGADMP CC[N@@H+](Cc1cccc2nccn21)C1CCCC1 ZINC000179689415 346993419 /nfs/dbraw/zinc/99/34/19/346993419.db2.gz YOUKNCAXQWYYCQ-UHFFFAOYSA-N 2 1 243.354 3.099 20 0 BGADMP CCC[C@@H](C)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000179797867 366309495 /nfs/dbraw/zinc/30/94/95/366309495.db2.gz LRYCXTRLIMDYMZ-CQSZACIVSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[C@H](C)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000179797884 366309299 /nfs/dbraw/zinc/30/92/99/366309299.db2.gz LRYCXTRLIMDYMZ-AWEZNQCLSA-N 2 1 240.435 3.229 20 0 BGADMP CC[N@@H+](Cc1cccc2nccn21)[C@@H](C)C(C)C ZINC000179885650 366329494 /nfs/dbraw/zinc/32/94/94/366329494.db2.gz AXNJZUBWDKLDDL-ZDUSSCGKSA-N 2 1 245.370 3.201 20 0 BGADMP CC[N@@H+](Cc1cccc2nccn21)[C@H](C)C(C)C ZINC000179885662 366328652 /nfs/dbraw/zinc/32/86/52/366328652.db2.gz AXNJZUBWDKLDDL-CYBMUJFWSA-N 2 1 245.370 3.201 20 0 BGADMP CCC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000180415618 366450938 /nfs/dbraw/zinc/45/09/38/366450938.db2.gz BHWWCEDPPOFFJE-SOUVJXGZSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[C@@H](C)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000180486611 366479647 /nfs/dbraw/zinc/47/96/47/366479647.db2.gz NESIBXSKTGKYLN-HUUCEWRRSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@H](C)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000180486628 366480548 /nfs/dbraw/zinc/48/05/48/366480548.db2.gz NESIBXSKTGKYLN-LSDHHAIUSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@@H](C)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000180524232 366493979 /nfs/dbraw/zinc/49/39/79/366493979.db2.gz DJFZZWUKLHQYKI-HUUCEWRRSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@@H](C)C[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000180524232 366493972 /nfs/dbraw/zinc/49/39/72/366493972.db2.gz DJFZZWUKLHQYKI-HUUCEWRRSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000180524232 366493967 /nfs/dbraw/zinc/49/39/67/366493967.db2.gz DJFZZWUKLHQYKI-HUUCEWRRSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@H](C)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000180524255 366494074 /nfs/dbraw/zinc/49/40/74/366494074.db2.gz DJFZZWUKLHQYKI-LSDHHAIUSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@H](C)C[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000180524255 366494070 /nfs/dbraw/zinc/49/40/70/366494070.db2.gz DJFZZWUKLHQYKI-LSDHHAIUSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000180524255 366494064 /nfs/dbraw/zinc/49/40/64/366494064.db2.gz DJFZZWUKLHQYKI-LSDHHAIUSA-N 2 1 240.435 3.086 20 0 BGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)CC)CC1 ZINC000181110447 366785648 /nfs/dbraw/zinc/78/56/48/366785648.db2.gz YVLULCICLANIRN-AWEZNQCLSA-N 2 1 240.435 3.229 20 0 BGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)CC)CC1 ZINC000181110466 366785673 /nfs/dbraw/zinc/78/56/73/366785673.db2.gz YVLULCICLANIRN-CQSZACIVSA-N 2 1 240.435 3.229 20 0 BGADMP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181261000 366800221 /nfs/dbraw/zinc/80/02/21/366800221.db2.gz YFGMABNMFVALDL-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181261011 366800343 /nfs/dbraw/zinc/80/03/43/366800343.db2.gz YFGMABNMFVALDL-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181261026 366800577 /nfs/dbraw/zinc/80/05/77/366800577.db2.gz YFGMABNMFVALDL-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181261041 366800546 /nfs/dbraw/zinc/80/05/46/366800546.db2.gz YFGMABNMFVALDL-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000181306257 134335038 /nfs/dbraw/zinc/33/50/38/134335038.db2.gz MXKAFIPHUHURRC-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000181306275 134335411 /nfs/dbraw/zinc/33/54/11/134335411.db2.gz MXKAFIPHUHURRC-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181307837 366801301 /nfs/dbraw/zinc/80/13/01/366801301.db2.gz CFWWCXAAMOZXPJ-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181307857 366801886 /nfs/dbraw/zinc/80/18/86/366801886.db2.gz CFWWCXAAMOZXPJ-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000181565251 385349442 /nfs/dbraw/zinc/34/94/42/385349442.db2.gz OIMBUVDLFQOUMZ-HUUCEWRRSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000182352923 385662519 /nfs/dbraw/zinc/66/25/19/385662519.db2.gz SJFOIYICEJOIMX-ZBFHGGJFSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000182352944 385661141 /nfs/dbraw/zinc/66/11/41/385661141.db2.gz SJFOIYICEJOIMX-HOCLYGCPSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000182352960 385661504 /nfs/dbraw/zinc/66/15/04/385661504.db2.gz SJFOIYICEJOIMX-GDBMZVCRSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000182352979 385662985 /nfs/dbraw/zinc/66/29/85/385662985.db2.gz SJFOIYICEJOIMX-GOEBONIOSA-N 2 1 246.398 3.130 20 0 BGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000182684956 386761497 /nfs/dbraw/zinc/76/14/97/386761497.db2.gz CELTVXBDRCOFPO-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000182684974 386760974 /nfs/dbraw/zinc/76/09/74/386760974.db2.gz CELTVXBDRCOFPO-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000182684991 386759424 /nfs/dbraw/zinc/75/94/24/386759424.db2.gz CELTVXBDRCOFPO-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000182685006 386761465 /nfs/dbraw/zinc/76/14/65/386761465.db2.gz CELTVXBDRCOFPO-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)CC[C@@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000182865742 366953038 /nfs/dbraw/zinc/95/30/38/366953038.db2.gz UQZRBEUTMYMDNZ-HNNXBMFYSA-N 2 1 249.402 3.174 20 0 BGADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000182865799 366953331 /nfs/dbraw/zinc/95/33/31/366953331.db2.gz ATDDOWGMLIFVBQ-CABCVRRESA-N 2 1 249.402 3.174 20 0 BGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000182865819 366952859 /nfs/dbraw/zinc/95/28/59/366952859.db2.gz ATDDOWGMLIFVBQ-GJZGRUSLSA-N 2 1 249.402 3.174 20 0 BGADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000182865844 366953389 /nfs/dbraw/zinc/95/33/89/366953389.db2.gz ATDDOWGMLIFVBQ-HUUCEWRRSA-N 2 1 249.402 3.174 20 0 BGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000182865860 366953304 /nfs/dbraw/zinc/95/33/04/366953304.db2.gz ATDDOWGMLIFVBQ-LSDHHAIUSA-N 2 1 249.402 3.174 20 0 BGADMP CC(C)[N@@H+](CCCn1ccnc1)C1CCCCC1 ZINC000182887139 366954515 /nfs/dbraw/zinc/95/45/15/366954515.db2.gz XTWRQSUBSAAZHN-UHFFFAOYSA-N 2 1 249.402 3.316 20 0 BGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCCn1ccnc1 ZINC000182932607 366957706 /nfs/dbraw/zinc/95/77/06/366957706.db2.gz ZQMSFGCDPCFYQI-HUUCEWRRSA-N 2 1 249.402 3.174 20 0 BGADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CCCn1ccnc1 ZINC000182932628 366957582 /nfs/dbraw/zinc/95/75/82/366957582.db2.gz ZQMSFGCDPCFYQI-CABCVRRESA-N 2 1 249.402 3.174 20 0 BGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCn1ccnc1 ZINC000182932647 366957247 /nfs/dbraw/zinc/95/72/47/366957247.db2.gz ZQMSFGCDPCFYQI-LSDHHAIUSA-N 2 1 249.402 3.174 20 0 BGADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCn1ccnc1 ZINC000182932664 366957951 /nfs/dbraw/zinc/95/79/51/366957951.db2.gz ZQMSFGCDPCFYQI-GJZGRUSLSA-N 2 1 249.402 3.174 20 0 BGADMP C[C@@H](c1cccs1)[N@@H+](C)CCCn1ccnc1 ZINC000183162539 176033542 /nfs/dbraw/zinc/03/35/42/176033542.db2.gz JYXOMOSBCDCHOB-LBPRGKRZSA-N 2 1 249.383 3.028 20 0 BGADMP C[C@H](c1cccs1)[N@@H+](C)CCCn1ccnc1 ZINC000183162560 177049321 /nfs/dbraw/zinc/04/93/21/177049321.db2.gz JYXOMOSBCDCHOB-GFCCVEGCSA-N 2 1 249.383 3.028 20 0 BGADMP CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183186412 398088775 /nfs/dbraw/zinc/08/87/75/398088775.db2.gz JIAKWJSINPFRPA-MELADBBJSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183186455 398088636 /nfs/dbraw/zinc/08/86/36/398088636.db2.gz JIAKWJSINPFRPA-BFHYXJOUSA-N 2 1 238.419 3.028 20 0 BGADMP CC/C=C/CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000184580805 388578906 /nfs/dbraw/zinc/57/89/06/388578906.db2.gz KXMJVWBMKGAQLQ-NFAHFFEMSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C/CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000184580805 388578905 /nfs/dbraw/zinc/57/89/05/388578905.db2.gz KXMJVWBMKGAQLQ-NFAHFFEMSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C/CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000184580805 388578903 /nfs/dbraw/zinc/57/89/03/388578903.db2.gz KXMJVWBMKGAQLQ-NFAHFFEMSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C/CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000184580824 388579416 /nfs/dbraw/zinc/57/94/16/388579416.db2.gz KXMJVWBMKGAQLQ-LLYBFZRZSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C/CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000184580824 388579414 /nfs/dbraw/zinc/57/94/14/388579414.db2.gz KXMJVWBMKGAQLQ-LLYBFZRZSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C/CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000184580824 388579412 /nfs/dbraw/zinc/57/94/12/388579412.db2.gz KXMJVWBMKGAQLQ-LLYBFZRZSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C/CC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000184587463 388579705 /nfs/dbraw/zinc/57/97/05/388579705.db2.gz YOODLCUESNXKOC-MVGZEHJDSA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C/CC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000184587482 388579001 /nfs/dbraw/zinc/57/90/01/388579001.db2.gz YOODLCUESNXKOC-KIUWMYQTSA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C/CC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000184597201 384624034 /nfs/dbraw/zinc/62/40/34/384624034.db2.gz BQIKJUJIWPPYTG-LFAOLKIESA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C/CC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000184597201 384624027 /nfs/dbraw/zinc/62/40/27/384624027.db2.gz BQIKJUJIWPPYTG-LFAOLKIESA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C/CC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000184597201 384624022 /nfs/dbraw/zinc/62/40/22/384624022.db2.gz BQIKJUJIWPPYTG-LFAOLKIESA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C/CC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000184597216 388579283 /nfs/dbraw/zinc/57/92/83/388579283.db2.gz BQIKJUJIWPPYTG-LQYUOIDQSA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C/CC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000184597216 388579281 /nfs/dbraw/zinc/57/92/81/388579281.db2.gz BQIKJUJIWPPYTG-LQYUOIDQSA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C/CC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000184597216 388579280 /nfs/dbraw/zinc/57/92/80/388579280.db2.gz BQIKJUJIWPPYTG-LQYUOIDQSA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C/CC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000184599146 352493583 /nfs/dbraw/zinc/49/35/83/352493583.db2.gz DQHOLOMNZJARAY-VOTSOKGWSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C/CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000184666004 388580963 /nfs/dbraw/zinc/58/09/63/388580963.db2.gz JBYCPUMZYLOVLX-MHKRFPNSSA-N 2 1 238.419 3.005 20 0 BGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000184666004 388580960 /nfs/dbraw/zinc/58/09/60/388580960.db2.gz JBYCPUMZYLOVLX-MHKRFPNSSA-N 2 1 238.419 3.005 20 0 BGADMP CC[C@@H]1[C@H](C)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000185596018 134382506 /nfs/dbraw/zinc/38/25/06/134382506.db2.gz QWHSBMSSMMONPY-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1[C@H](C)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000185596018 134382505 /nfs/dbraw/zinc/38/25/05/134382505.db2.gz QWHSBMSSMMONPY-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1[C@H](C)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000185596036 134382489 /nfs/dbraw/zinc/38/24/89/134382489.db2.gz QWHSBMSSMMONPY-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1[C@H](C)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000185596036 134382488 /nfs/dbraw/zinc/38/24/88/134382488.db2.gz QWHSBMSSMMONPY-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000185596053 134382410 /nfs/dbraw/zinc/38/24/10/134382410.db2.gz QWHSBMSSMMONPY-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000185596053 134382409 /nfs/dbraw/zinc/38/24/09/134382409.db2.gz QWHSBMSSMMONPY-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1[C@@H](C)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000185596074 536180579 /nfs/dbraw/zinc/18/05/79/536180579.db2.gz QWHSBMSSMMONPY-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1[C@@H](C)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000185596074 536180577 /nfs/dbraw/zinc/18/05/77/536180577.db2.gz QWHSBMSSMMONPY-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666448 367140855 /nfs/dbraw/zinc/14/08/55/367140855.db2.gz GGHRWWZZFGKWID-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666468 367140968 /nfs/dbraw/zinc/14/09/68/367140968.db2.gz GGHRWWZZFGKWID-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666487 367140380 /nfs/dbraw/zinc/14/03/80/367140380.db2.gz GGHRWWZZFGKWID-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666501 367140932 /nfs/dbraw/zinc/14/09/32/367140932.db2.gz GGHRWWZZFGKWID-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H](C)CCC1CC1)C(C)C ZINC000186208066 388597561 /nfs/dbraw/zinc/59/75/61/388597561.db2.gz VSBLVKGSTDAQLY-AWEZNQCLSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H](C)CCC1CC1)C(C)C ZINC000186208084 388597734 /nfs/dbraw/zinc/59/77/34/388597734.db2.gz VSBLVKGSTDAQLY-CQSZACIVSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H](C[NH2+][C@@H](C)CCC1CC1)[NH+]1CCCC1 ZINC000186238151 388597580 /nfs/dbraw/zinc/59/75/80/388597580.db2.gz LLEDOCZUMQAFGV-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C[NH2+][C@@H](C)CCC1CC1)[NH+]1CCCC1 ZINC000186238170 388597862 /nfs/dbraw/zinc/59/78/62/388597862.db2.gz LLEDOCZUMQAFGV-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C[NH2+][C@H](C)CCC1CC1)[NH+]1CCCC1 ZINC000186238188 388597802 /nfs/dbraw/zinc/59/78/02/388597802.db2.gz LLEDOCZUMQAFGV-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C[NH2+][C@H](C)CCC1CC1)[NH+]1CCCC1 ZINC000186238204 388597952 /nfs/dbraw/zinc/59/79/52/388597952.db2.gz LLEDOCZUMQAFGV-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](CCC1CC1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000186323587 388599232 /nfs/dbraw/zinc/59/92/32/388599232.db2.gz DEGXJLRJCAHAIZ-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](CCC1CC1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000186323587 388599230 /nfs/dbraw/zinc/59/92/30/388599230.db2.gz DEGXJLRJCAHAIZ-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CCC1CC1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000186323605 388599326 /nfs/dbraw/zinc/59/93/26/388599326.db2.gz DEGXJLRJCAHAIZ-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CCC1CC1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000186323605 388599323 /nfs/dbraw/zinc/59/93/23/388599323.db2.gz DEGXJLRJCAHAIZ-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CCC1CC1 ZINC000186356847 256864535 /nfs/dbraw/zinc/86/45/35/256864535.db2.gz OPEHGJUCHRQXLV-ZDUSSCGKSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CCC1CC1 ZINC000186356864 388598605 /nfs/dbraw/zinc/59/86/05/388598605.db2.gz OPEHGJUCHRQXLV-CYBMUJFWSA-N 2 1 249.402 3.140 20 0 BGADMP CCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000186731080 385786998 /nfs/dbraw/zinc/78/69/98/385786998.db2.gz UDFUTBFKUBRNOY-KGLIPLIRSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000186731097 385787949 /nfs/dbraw/zinc/78/79/49/385787949.db2.gz UDFUTBFKUBRNOY-KBPBESRZSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000186731116 385786504 /nfs/dbraw/zinc/78/65/04/385786504.db2.gz UDFUTBFKUBRNOY-ZIAGYGMSSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000186731133 385786743 /nfs/dbraw/zinc/78/67/43/385786743.db2.gz UDFUTBFKUBRNOY-UONOGXRCSA-N 2 1 226.408 3.029 20 0 BGADMP CCC(CC)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000186735929 385788224 /nfs/dbraw/zinc/78/82/24/385788224.db2.gz OYMYMXBNBQTXOX-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCC(CC)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000186735944 385787401 /nfs/dbraw/zinc/78/74/01/385787401.db2.gz OYMYMXBNBQTXOX-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP C[C@@H](CC1CC1)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000186738261 387128725 /nfs/dbraw/zinc/12/87/25/387128725.db2.gz QFTXUGGEHRIYFX-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CC1CC1)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000186738279 387130250 /nfs/dbraw/zinc/13/02/50/387130250.db2.gz QFTXUGGEHRIYFX-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)CC1CC1 ZINC000186738294 387128969 /nfs/dbraw/zinc/12/89/69/387128969.db2.gz QFTXUGGEHRIYFX-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CC1CC1)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000186738314 387128717 /nfs/dbraw/zinc/12/87/17/387128717.db2.gz QFTXUGGEHRIYFX-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@@H+](CCCn1ccnc1)CC1CCCCCC1 ZINC000186874135 582937251 /nfs/dbraw/zinc/93/72/51/582937251.db2.gz SRFSHRQPQSUUAL-UHFFFAOYSA-N 2 1 249.402 3.175 20 0 BGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC000187865751 411493678 /nfs/dbraw/zinc/49/36/78/411493678.db2.gz FTBAAAFMTIAIFR-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC000187865779 411494041 /nfs/dbraw/zinc/49/40/41/411494041.db2.gz FTBAAAFMTIAIFR-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H](C)C1 ZINC000187916487 387217168 /nfs/dbraw/zinc/21/71/68/387217168.db2.gz LURBWYPBWQBIFH-AWEZNQCLSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H](C)C1 ZINC000187916487 387217165 /nfs/dbraw/zinc/21/71/65/387217165.db2.gz LURBWYPBWQBIFH-AWEZNQCLSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1nccn1CCCC[N@@H+]1CCCC[C@H](C)C1 ZINC000187916487 387217161 /nfs/dbraw/zinc/21/71/61/387217161.db2.gz LURBWYPBWQBIFH-AWEZNQCLSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H](C)C1 ZINC000187916519 387217898 /nfs/dbraw/zinc/21/78/98/387217898.db2.gz LURBWYPBWQBIFH-CQSZACIVSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H](C)C1 ZINC000187916519 387217894 /nfs/dbraw/zinc/21/78/94/387217894.db2.gz LURBWYPBWQBIFH-CQSZACIVSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1nccn1CCCC[N@@H+]1CCCC[C@@H](C)C1 ZINC000187916519 387217891 /nfs/dbraw/zinc/21/78/91/387217891.db2.gz LURBWYPBWQBIFH-CQSZACIVSA-N 2 1 249.402 3.094 20 0 BGADMP C[C@@H](CC[NH2+]C1CC[NH+](C)CC1)CC(C)(C)C ZINC000188030697 259373596 /nfs/dbraw/zinc/37/35/96/259373596.db2.gz OUCABRHPMLKMMH-ZDUSSCGKSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](CC[NH2+]C1CC[NH+](C)CC1)CC(C)(C)C ZINC000188030723 259373429 /nfs/dbraw/zinc/37/34/29/259373429.db2.gz OUCABRHPMLKMMH-CYBMUJFWSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189107061 357614864 /nfs/dbraw/zinc/61/48/64/357614864.db2.gz NERSRXVBLBNFIY-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189107061 357614863 /nfs/dbraw/zinc/61/48/63/357614863.db2.gz NERSRXVBLBNFIY-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189107087 357615642 /nfs/dbraw/zinc/61/56/42/357615642.db2.gz NERSRXVBLBNFIY-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189107087 357615637 /nfs/dbraw/zinc/61/56/37/357615637.db2.gz NERSRXVBLBNFIY-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189142916 357606927 /nfs/dbraw/zinc/60/69/27/357606927.db2.gz WUDGPNPSWKCOKE-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189142916 357606922 /nfs/dbraw/zinc/60/69/22/357606922.db2.gz WUDGPNPSWKCOKE-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC12CCCC2 ZINC000189142941 357606656 /nfs/dbraw/zinc/60/66/56/357606656.db2.gz WUDGPNPSWKCOKE-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC12CCCC2 ZINC000189142941 357606650 /nfs/dbraw/zinc/60/66/50/357606650.db2.gz WUDGPNPSWKCOKE-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[C@H]([NH2+]CCC[NH+](C)C)c1ccsc1 ZINC000191181546 386773071 /nfs/dbraw/zinc/77/30/71/386773071.db2.gz VYZLKFOYFMWKEI-ZDUSSCGKSA-N 2 1 240.416 3.131 20 0 BGADMP CCC[C@@H]([NH2+]CCC[NH+](C)C)c1ccsc1 ZINC000191181565 169399833 /nfs/dbraw/zinc/39/98/33/169399833.db2.gz VYZLKFOYFMWKEI-CYBMUJFWSA-N 2 1 240.416 3.131 20 0 BGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC=C(C)C ZINC000191476817 187488247 /nfs/dbraw/zinc/48/82/47/187488247.db2.gz DWERBZFMQVBKJO-UHFFFAOYSA-N 2 1 249.402 3.124 20 0 BGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC=C(C)C ZINC000191476817 187488246 /nfs/dbraw/zinc/48/82/46/187488246.db2.gz DWERBZFMQVBKJO-UHFFFAOYSA-N 2 1 249.402 3.124 20 0 BGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C1CCCC1 ZINC000191487350 538992465 /nfs/dbraw/zinc/99/24/65/538992465.db2.gz CUIALQXVGMSLFX-UHFFFAOYSA-N 2 1 249.402 3.100 20 0 BGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C1CCCC1 ZINC000191487350 538992463 /nfs/dbraw/zinc/99/24/63/538992463.db2.gz CUIALQXVGMSLFX-UHFFFAOYSA-N 2 1 249.402 3.100 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C1CC1)C1CCCC1 ZINC000191788251 361358223 /nfs/dbraw/zinc/35/82/23/361358223.db2.gz XBOHCXOBSBXECT-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]cc1C ZINC000192593811 357845043 /nfs/dbraw/zinc/84/50/43/357845043.db2.gz GFVAULHZKHHQCI-CQSZACIVSA-N 2 1 247.386 3.066 20 0 BGADMP CC[C@H]1CCCC[N@H+]1CCNc1cc[nH+]cc1C ZINC000192593829 357845205 /nfs/dbraw/zinc/84/52/05/357845205.db2.gz GFVAULHZKHHQCI-AWEZNQCLSA-N 2 1 247.386 3.066 20 0 BGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)C1CCC1 ZINC000192749594 357850514 /nfs/dbraw/zinc/85/05/14/357850514.db2.gz PWEKOXNABURVOR-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)C1CCC1 ZINC000192749609 134588229 /nfs/dbraw/zinc/58/82/29/134588229.db2.gz PWEKOXNABURVOR-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCCC1)C1CCC1 ZINC000192749624 134588086 /nfs/dbraw/zinc/58/80/86/134588086.db2.gz PWEKOXNABURVOR-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H](C)C1CCC1 ZINC000192749634 357850460 /nfs/dbraw/zinc/85/04/60/357850460.db2.gz PWEKOXNABURVOR-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CCCCC1 ZINC000193455156 387130477 /nfs/dbraw/zinc/13/04/77/387130477.db2.gz MGOANZJQBSLQNS-UHFFFAOYSA-N 2 1 238.419 3.127 20 0 BGADMP C[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C)CC1 ZINC000194251804 388727835 /nfs/dbraw/zinc/72/78/35/388727835.db2.gz XLTGNXZVEMCMQO-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000194358302 206086715 /nfs/dbraw/zinc/08/67/15/206086715.db2.gz QSINKWQPOSTQSX-HUUCEWRRSA-N 2 1 248.414 3.110 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000194358302 206086711 /nfs/dbraw/zinc/08/67/11/206086711.db2.gz QSINKWQPOSTQSX-HUUCEWRRSA-N 2 1 248.414 3.110 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000194358316 206086996 /nfs/dbraw/zinc/08/69/96/206086996.db2.gz QSINKWQPOSTQSX-CABCVRRESA-N 2 1 248.414 3.110 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000194358316 206086990 /nfs/dbraw/zinc/08/69/90/206086990.db2.gz QSINKWQPOSTQSX-CABCVRRESA-N 2 1 248.414 3.110 20 0 BGADMP CC[NH+](CC)CCC[NH2+]C/C=C\c1ccccc1 ZINC000206774465 355944463 /nfs/dbraw/zinc/94/44/63/355944463.db2.gz BRYNVUQDDXECRH-WQLSENKSSA-N 2 1 246.398 3.021 20 0 BGADMP CCC[C@@H]1CCCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000213022454 591444397 /nfs/dbraw/zinc/44/43/97/591444397.db2.gz QIRUQDPPIHVCQM-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H]1CCCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000213022454 591444392 /nfs/dbraw/zinc/44/43/92/591444392.db2.gz QIRUQDPPIHVCQM-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H]1CCCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000213022518 591444563 /nfs/dbraw/zinc/44/45/63/591444563.db2.gz QIRUQDPPIHVCQM-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H]1CCCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000213022518 591444560 /nfs/dbraw/zinc/44/45/60/591444560.db2.gz QIRUQDPPIHVCQM-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CC[N@@H+](CC[NH3+])[C@H](C)c1cccc2ccccc21 ZINC000213927106 411100611 /nfs/dbraw/zinc/10/06/11/411100611.db2.gz VNGORVBFUFSROO-CYBMUJFWSA-N 2 1 242.366 3.181 20 0 BGADMP CC[N@H+](CC[NH3+])[C@H](C)c1cccc2ccccc21 ZINC000213927106 411100605 /nfs/dbraw/zinc/10/06/05/411100605.db2.gz VNGORVBFUFSROO-CYBMUJFWSA-N 2 1 242.366 3.181 20 0 BGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000215501866 386583161 /nfs/dbraw/zinc/58/31/61/386583161.db2.gz IQPLVLHYCFTSMC-OAHLLOKOSA-N 2 1 246.398 3.007 20 0 BGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000215501916 386583638 /nfs/dbraw/zinc/58/36/38/386583638.db2.gz IQPLVLHYCFTSMC-HNNXBMFYSA-N 2 1 246.398 3.007 20 0 BGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000217503056 357908783 /nfs/dbraw/zinc/90/87/83/357908783.db2.gz RHCTWSKMQDFUTP-HUUCEWRRSA-N 2 1 246.398 3.096 20 0 BGADMP Cc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000217503056 357908780 /nfs/dbraw/zinc/90/87/80/357908780.db2.gz RHCTWSKMQDFUTP-HUUCEWRRSA-N 2 1 246.398 3.096 20 0 BGADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000217503125 357909135 /nfs/dbraw/zinc/90/91/35/357909135.db2.gz RHCTWSKMQDFUTP-LSDHHAIUSA-N 2 1 246.398 3.096 20 0 BGADMP Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000217503125 357909131 /nfs/dbraw/zinc/90/91/31/357909131.db2.gz RHCTWSKMQDFUTP-LSDHHAIUSA-N 2 1 246.398 3.096 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217626828 583172329 /nfs/dbraw/zinc/17/23/29/583172329.db2.gz ZZOQFFGFZPDZLG-ZNMIVQPWSA-N 2 1 238.419 3.172 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217626828 583172325 /nfs/dbraw/zinc/17/23/25/583172325.db2.gz ZZOQFFGFZPDZLG-ZNMIVQPWSA-N 2 1 238.419 3.172 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217626977 583172614 /nfs/dbraw/zinc/17/26/14/583172614.db2.gz ZZOQFFGFZPDZLG-KKUMJFAQSA-N 2 1 238.419 3.172 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217626977 583172613 /nfs/dbraw/zinc/17/26/13/583172613.db2.gz ZZOQFFGFZPDZLG-KKUMJFAQSA-N 2 1 238.419 3.172 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217662549 136277841 /nfs/dbraw/zinc/27/78/41/136277841.db2.gz GJTUXEGDWYLJMY-ZNMIVQPWSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217662549 136277840 /nfs/dbraw/zinc/27/78/40/136277840.db2.gz GJTUXEGDWYLJMY-ZNMIVQPWSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217662726 134249387 /nfs/dbraw/zinc/24/93/87/134249387.db2.gz GJTUXEGDWYLJMY-KKUMJFAQSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217662726 134249386 /nfs/dbraw/zinc/24/93/86/134249386.db2.gz GJTUXEGDWYLJMY-KKUMJFAQSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217669983 387914478 /nfs/dbraw/zinc/91/44/78/387914478.db2.gz HOGZQGRNUJZHNH-CABCVRRESA-N 2 1 238.419 3.172 20 0 BGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217669983 387914474 /nfs/dbraw/zinc/91/44/74/387914474.db2.gz HOGZQGRNUJZHNH-CABCVRRESA-N 2 1 238.419 3.172 20 0 BGADMP CCCC(CCC)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217670063 388571521 /nfs/dbraw/zinc/57/15/21/388571521.db2.gz HOGZQGRNUJZHNH-GJZGRUSLSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC(CCC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217670063 388571517 /nfs/dbraw/zinc/57/15/17/388571517.db2.gz HOGZQGRNUJZHNH-GJZGRUSLSA-N 2 1 238.419 3.172 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000218071349 536064518 /nfs/dbraw/zinc/06/45/18/536064518.db2.gz SXTGIQNSURNXED-GOEBONIOSA-N 2 1 246.398 3.069 20 0 BGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000218071436 134251782 /nfs/dbraw/zinc/25/17/82/134251782.db2.gz SXTGIQNSURNXED-HOCLYGCPSA-N 2 1 246.398 3.069 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000218917085 134270560 /nfs/dbraw/zinc/27/05/60/134270560.db2.gz BYFOUTBLWWARAE-HUUCEWRRSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000218917179 535003188 /nfs/dbraw/zinc/00/31/88/535003188.db2.gz BYFOUTBLWWARAE-CABCVRRESA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC000219150480 191132118 /nfs/dbraw/zinc/13/21/18/191132118.db2.gz MFWTYQHXJSPJMC-AWEZNQCLSA-N 2 1 234.387 3.068 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1 ZINC000219150563 385922682 /nfs/dbraw/zinc/92/26/82/385922682.db2.gz MFWTYQHXJSPJMC-CQSZACIVSA-N 2 1 234.387 3.068 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000219366528 350124096 /nfs/dbraw/zinc/12/40/96/350124096.db2.gz FXSBMACZWGYLFR-LRDDRELGSA-N 2 1 242.366 3.228 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000219366593 363134651 /nfs/dbraw/zinc/13/46/51/363134651.db2.gz FXSBMACZWGYLFR-BLLLJJGKSA-N 2 1 242.366 3.228 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000219435364 384033870 /nfs/dbraw/zinc/03/38/70/384033870.db2.gz IPZVNLHPUXLEDY-OAHLLOKOSA-N 2 1 248.414 3.112 20 0 BGADMP CCC[N@H+](CC)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000219435364 384033869 /nfs/dbraw/zinc/03/38/69/384033869.db2.gz IPZVNLHPUXLEDY-OAHLLOKOSA-N 2 1 248.414 3.112 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000219435445 388591668 /nfs/dbraw/zinc/59/16/68/388591668.db2.gz IPZVNLHPUXLEDY-HNNXBMFYSA-N 2 1 248.414 3.112 20 0 BGADMP CCC[N@H+](CC)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000219435445 388591667 /nfs/dbraw/zinc/59/16/67/388591667.db2.gz IPZVNLHPUXLEDY-HNNXBMFYSA-N 2 1 248.414 3.112 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000219623526 535589020 /nfs/dbraw/zinc/58/90/20/535589020.db2.gz YFZOQKYOZIZWGE-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000219767295 169282182 /nfs/dbraw/zinc/28/21/82/169282182.db2.gz QQKGMRKLJQQYSA-GOEBONIOSA-N 2 1 246.398 3.039 20 0 BGADMP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000219767295 169282181 /nfs/dbraw/zinc/28/21/81/169282181.db2.gz QQKGMRKLJQQYSA-GOEBONIOSA-N 2 1 246.398 3.039 20 0 BGADMP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000219767378 169291575 /nfs/dbraw/zinc/29/15/75/169291575.db2.gz QQKGMRKLJQQYSA-HOCLYGCPSA-N 2 1 246.398 3.039 20 0 BGADMP CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000219767378 169291574 /nfs/dbraw/zinc/29/15/74/169291574.db2.gz QQKGMRKLJQQYSA-HOCLYGCPSA-N 2 1 246.398 3.039 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221669726 592436915 /nfs/dbraw/zinc/43/69/15/592436915.db2.gz VHUWKDBNEYUIJJ-SOUVJXGZSA-N 2 1 240.435 3.418 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221669726 592436914 /nfs/dbraw/zinc/43/69/14/592436914.db2.gz VHUWKDBNEYUIJJ-SOUVJXGZSA-N 2 1 240.435 3.418 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221669851 592437646 /nfs/dbraw/zinc/43/76/46/592437646.db2.gz VHUWKDBNEYUIJJ-KKUMJFAQSA-N 2 1 240.435 3.418 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221669851 592437642 /nfs/dbraw/zinc/43/76/42/592437642.db2.gz VHUWKDBNEYUIJJ-KKUMJFAQSA-N 2 1 240.435 3.418 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221698853 592438966 /nfs/dbraw/zinc/43/89/66/592438966.db2.gz HLBQZQNKJXGLMH-MELADBBJSA-N 2 1 226.408 3.028 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221698853 592438965 /nfs/dbraw/zinc/43/89/65/592438965.db2.gz HLBQZQNKJXGLMH-MELADBBJSA-N 2 1 226.408 3.028 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221698959 592439088 /nfs/dbraw/zinc/43/90/88/592439088.db2.gz HLBQZQNKJXGLMH-IHRRRGAJSA-N 2 1 226.408 3.028 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221698959 592439086 /nfs/dbraw/zinc/43/90/86/592439086.db2.gz HLBQZQNKJXGLMH-IHRRRGAJSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221708667 385689547 /nfs/dbraw/zinc/68/95/47/385689547.db2.gz WYTHYFATOHGPLQ-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221708783 385688175 /nfs/dbraw/zinc/68/81/75/385688175.db2.gz WYTHYFATOHGPLQ-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221729921 488056411 /nfs/dbraw/zinc/05/64/11/488056411.db2.gz YYXLAPAVSWUGIC-RRFJBIMHSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221729966 134326321 /nfs/dbraw/zinc/32/63/21/134326321.db2.gz YYXLAPAVSWUGIC-SOUVJXGZSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221729966 134326320 /nfs/dbraw/zinc/32/63/20/134326320.db2.gz YYXLAPAVSWUGIC-SOUVJXGZSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221730019 488055895 /nfs/dbraw/zinc/05/58/95/488055895.db2.gz YYXLAPAVSWUGIC-ZNMIVQPWSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221730068 134326193 /nfs/dbraw/zinc/32/61/93/134326193.db2.gz YYXLAPAVSWUGIC-KKUMJFAQSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221730068 134326192 /nfs/dbraw/zinc/32/61/92/134326192.db2.gz YYXLAPAVSWUGIC-KKUMJFAQSA-N 2 1 246.398 3.128 20 0 BGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1(C)CC1 ZINC000221755405 134326362 /nfs/dbraw/zinc/32/63/62/134326362.db2.gz ZZNGQMCOTXPRLY-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1ccc(C)c(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000221783626 134326428 /nfs/dbraw/zinc/32/64/28/134326428.db2.gz QIQBOIVPHJMSGE-UHFFFAOYSA-N 2 1 248.414 3.123 20 0 BGADMP Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)c(C)c1 ZINC000221783709 134326393 /nfs/dbraw/zinc/32/63/93/134326393.db2.gz CUANXUMEBXNZNJ-UHFFFAOYSA-N 2 1 248.414 3.123 20 0 BGADMP CCc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221784182 134326070 /nfs/dbraw/zinc/32/60/70/134326070.db2.gz LWGMKGNYWIWWHS-UHFFFAOYSA-N 2 1 248.414 3.069 20 0 BGADMP Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1C ZINC000221786006 134326432 /nfs/dbraw/zinc/32/64/32/134326432.db2.gz CIYDVFBJRBTQLE-UHFFFAOYSA-N 2 1 248.414 3.123 20 0 BGADMP Cc1cccc(C[NH2+]CCC[N@H+](C)C(C)C)c1C ZINC000221786082 134326249 /nfs/dbraw/zinc/32/62/49/134326249.db2.gz RUFYUTBHGUTYDB-UHFFFAOYSA-N 2 1 248.414 3.123 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000221789371 134326058 /nfs/dbraw/zinc/32/60/58/134326058.db2.gz LCNAQPWNDYPNFY-OAHLLOKOSA-N 2 1 248.414 3.110 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000221789426 134326229 /nfs/dbraw/zinc/32/62/29/134326229.db2.gz LCNAQPWNDYPNFY-HNNXBMFYSA-N 2 1 248.414 3.110 20 0 BGADMP CCC1CCC([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000221792640 134326078 /nfs/dbraw/zinc/32/60/78/134326078.db2.gz UFSJIYVQHSGTGN-UHFFFAOYSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCCCCCC1 ZINC000221792795 635342275 /nfs/dbraw/zinc/34/22/75/635342275.db2.gz JYUATJUEFLWZEP-UHFFFAOYSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](CC)CC1 ZINC000221798131 385708432 /nfs/dbraw/zinc/70/84/32/385708432.db2.gz NRWRVEMQXOMXID-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](CCC)[NH2+]C1CC[NH+](CC)CC1 ZINC000221798184 385709057 /nfs/dbraw/zinc/70/90/57/385709057.db2.gz NRWRVEMQXOMXID-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP C[C@H](CC1CC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000221816181 385717808 /nfs/dbraw/zinc/71/78/08/385717808.db2.gz JRDPBLVYJHIHFL-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](C)CC1 ZINC000221823758 385717258 /nfs/dbraw/zinc/71/72/58/385717258.db2.gz AEEWPMAPRVCOCY-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@H](CCC)[NH2+]C1CC[NH+](C)CC1 ZINC000221823819 259407508 /nfs/dbraw/zinc/40/75/08/259407508.db2.gz AEEWPMAPRVCOCY-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000221912102 535803601 /nfs/dbraw/zinc/80/36/01/535803601.db2.gz XRFFPICYMSFSPK-MRXNPFEDSA-N 2 1 248.414 3.458 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000221920335 134326503 /nfs/dbraw/zinc/32/65/03/134326503.db2.gz PYIIBGTZNNLQMQ-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCCC1(C)C ZINC000221927934 387191795 /nfs/dbraw/zinc/19/17/95/387191795.db2.gz RPNXCYGHEIFZTJ-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCCC1(C)C ZINC000221927995 387190822 /nfs/dbraw/zinc/19/08/22/387190822.db2.gz RPNXCYGHEIFZTJ-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221931674 385810984 /nfs/dbraw/zinc/81/09/84/385810984.db2.gz LYACWCXALBGPPD-YJNKXOJESA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221931674 385810981 /nfs/dbraw/zinc/81/09/81/385810981.db2.gz LYACWCXALBGPPD-YJNKXOJESA-N 2 1 238.419 3.028 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000222048292 490194584 /nfs/dbraw/zinc/19/45/84/490194584.db2.gz HMARSGQUDJNJSE-CBBWQLFWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000222048549 535590685 /nfs/dbraw/zinc/59/06/85/535590685.db2.gz GHUWRCKCVBUQCH-CBBWQLFWSA-N 2 1 240.435 3.131 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000222064136 134329203 /nfs/dbraw/zinc/32/92/03/134329203.db2.gz BEFUOXHITNZUOD-OFQRWUPVSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000222064260 134329324 /nfs/dbraw/zinc/32/93/24/134329324.db2.gz BEFUOXHITNZUOD-DZKIICNBSA-N 2 1 246.398 3.128 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCCCC2)CC[N@H+]1C ZINC000222267353 134330856 /nfs/dbraw/zinc/33/08/56/134330856.db2.gz HBMNLSSNOUKPEE-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CCCCC2)CC[N@H+]1C ZINC000222267408 134330966 /nfs/dbraw/zinc/33/09/66/134330966.db2.gz HBMNLSSNOUKPEE-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CCCCC2)CC[N@H+]1C ZINC000222267465 134331054 /nfs/dbraw/zinc/33/10/54/134331054.db2.gz HBMNLSSNOUKPEE-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1C[C@H]([NH2+]CC2(C)CCCCC2)CC[N@H+]1C ZINC000222267521 134331082 /nfs/dbraw/zinc/33/10/82/134331082.db2.gz HBMNLSSNOUKPEE-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222915056 259330757 /nfs/dbraw/zinc/33/07/57/259330757.db2.gz VSPHHYUYBJLKQJ-NUEKZKHPSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222915056 259330755 /nfs/dbraw/zinc/33/07/55/259330755.db2.gz VSPHHYUYBJLKQJ-NUEKZKHPSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222915116 398125420 /nfs/dbraw/zinc/12/54/20/398125420.db2.gz VSPHHYUYBJLKQJ-IMJJTQAJSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222915116 398125414 /nfs/dbraw/zinc/12/54/14/398125414.db2.gz VSPHHYUYBJLKQJ-IMJJTQAJSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222915191 388646595 /nfs/dbraw/zinc/64/65/95/388646595.db2.gz VSPHHYUYBJLKQJ-CWRNSKLLSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222915191 388646592 /nfs/dbraw/zinc/64/65/92/388646592.db2.gz VSPHHYUYBJLKQJ-CWRNSKLLSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222915257 398125780 /nfs/dbraw/zinc/12/57/80/398125780.db2.gz VSPHHYUYBJLKQJ-BPUTZDHNSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222915257 398125779 /nfs/dbraw/zinc/12/57/79/398125779.db2.gz VSPHHYUYBJLKQJ-BPUTZDHNSA-N 2 1 246.398 3.210 20 0 BGADMP Cc1cccc(C)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000222923332 134336451 /nfs/dbraw/zinc/33/64/51/134336451.db2.gz JIGBKFGSORQEOC-UHFFFAOYSA-N 2 1 248.414 3.123 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCCCCCC1 ZINC000223092711 592517341 /nfs/dbraw/zinc/51/73/41/592517341.db2.gz CLMMQXGEJMJUKW-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCCCCCC1 ZINC000223092711 592517339 /nfs/dbraw/zinc/51/73/39/592517339.db2.gz CLMMQXGEJMJUKW-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCCCCCC1 ZINC000223092771 592516944 /nfs/dbraw/zinc/51/69/44/592516944.db2.gz CLMMQXGEJMJUKW-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCCCCCC1 ZINC000223092771 592516943 /nfs/dbraw/zinc/51/69/43/592516943.db2.gz CLMMQXGEJMJUKW-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000223093702 388647911 /nfs/dbraw/zinc/64/79/11/388647911.db2.gz JNKDQRMITYMGLG-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000223093702 388647910 /nfs/dbraw/zinc/64/79/10/388647910.db2.gz JNKDQRMITYMGLG-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000223098622 388687448 /nfs/dbraw/zinc/68/74/48/388687448.db2.gz WGOMEYNRSMLWFO-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000223098622 388687443 /nfs/dbraw/zinc/68/74/43/388687443.db2.gz WGOMEYNRSMLWFO-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000223098676 388687273 /nfs/dbraw/zinc/68/72/73/388687273.db2.gz WGOMEYNRSMLWFO-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000223098676 388687271 /nfs/dbraw/zinc/68/72/71/388687271.db2.gz WGOMEYNRSMLWFO-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP Cc1cc(C)cc(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000223247832 134337899 /nfs/dbraw/zinc/33/78/99/134337899.db2.gz YEAGTSHODJLAQN-UHFFFAOYSA-N 2 1 248.414 3.123 20 0 BGADMP CCCC[C@H](CCC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224110924 398101696 /nfs/dbraw/zinc/10/16/96/398101696.db2.gz VEOIOOLPQRZJNO-SOUVJXGZSA-N 2 1 240.435 3.418 20 0 BGADMP CCCC[C@H](CCC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224110924 398101692 /nfs/dbraw/zinc/10/16/92/398101692.db2.gz VEOIOOLPQRZJNO-SOUVJXGZSA-N 2 1 240.435 3.418 20 0 BGADMP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224111021 398102595 /nfs/dbraw/zinc/10/25/95/398102595.db2.gz VEOIOOLPQRZJNO-KKUMJFAQSA-N 2 1 240.435 3.418 20 0 BGADMP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224111021 398102594 /nfs/dbraw/zinc/10/25/94/398102594.db2.gz VEOIOOLPQRZJNO-KKUMJFAQSA-N 2 1 240.435 3.418 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224113137 259572790 /nfs/dbraw/zinc/57/27/90/259572790.db2.gz MDXKDFHTAVOQAR-ZQDZILKHSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224113137 259572789 /nfs/dbraw/zinc/57/27/89/259572789.db2.gz MDXKDFHTAVOQAR-ZQDZILKHSA-N 2 1 240.435 3.274 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224116661 388661478 /nfs/dbraw/zinc/66/14/78/388661478.db2.gz KUYXAGWGVFBIQU-MELADBBJSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224116661 388661477 /nfs/dbraw/zinc/66/14/77/388661477.db2.gz KUYXAGWGVFBIQU-MELADBBJSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224116766 398102537 /nfs/dbraw/zinc/10/25/37/398102537.db2.gz KUYXAGWGVFBIQU-IHRRRGAJSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224116766 398102535 /nfs/dbraw/zinc/10/25/35/398102535.db2.gz KUYXAGWGVFBIQU-IHRRRGAJSA-N 2 1 226.408 3.028 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000224117172 134341920 /nfs/dbraw/zinc/34/19/20/134341920.db2.gz NUCIHXDNNGLFKA-OFQRWUPVSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000224117172 134341919 /nfs/dbraw/zinc/34/19/19/134341919.db2.gz NUCIHXDNNGLFKA-OFQRWUPVSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000224117266 134341968 /nfs/dbraw/zinc/34/19/68/134341968.db2.gz NUCIHXDNNGLFKA-DZKIICNBSA-N 2 1 246.398 3.128 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000224117266 134341967 /nfs/dbraw/zinc/34/19/67/134341967.db2.gz NUCIHXDNNGLFKA-DZKIICNBSA-N 2 1 246.398 3.128 20 0 BGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000224204518 632014801 /nfs/dbraw/zinc/01/48/01/632014801.db2.gz POALSKYJYKVXGZ-KGLIPLIRSA-N 2 1 246.398 3.152 20 0 BGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000224204572 640602524 /nfs/dbraw/zinc/60/25/24/640602524.db2.gz POALSKYJYKVXGZ-KBPBESRZSA-N 2 1 246.398 3.152 20 0 BGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000224573129 535297146 /nfs/dbraw/zinc/29/71/46/535297146.db2.gz MMKSLGMUJNSOBI-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000224573180 134348343 /nfs/dbraw/zinc/34/83/43/134348343.db2.gz MMKSLGMUJNSOBI-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@@H](CC)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000224581431 388667720 /nfs/dbraw/zinc/66/77/20/388667720.db2.gz YVAJVBFACQIOCH-CQSZACIVSA-N 2 1 228.424 3.274 20 0 BGADMP CCC[C@H](CC)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000224581483 388667085 /nfs/dbraw/zinc/66/70/85/388667085.db2.gz YVAJVBFACQIOCH-AWEZNQCLSA-N 2 1 228.424 3.274 20 0 BGADMP CCC[C@@H](CC)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000224581784 388667341 /nfs/dbraw/zinc/66/73/41/388667341.db2.gz HAFRLIBBCGHZBL-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCC[C@H](CC)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000224581831 388667245 /nfs/dbraw/zinc/66/72/45/388667245.db2.gz HAFRLIBBCGHZBL-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CCC[C@@H](CC)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000224584079 388667180 /nfs/dbraw/zinc/66/71/80/388667180.db2.gz JRNXJDIOLBSRBV-LSDHHAIUSA-N 2 1 240.435 3.419 20 0 BGADMP CCC[C@H](CC)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000224584129 388667706 /nfs/dbraw/zinc/66/77/06/388667706.db2.gz JRNXJDIOLBSRBV-GJZGRUSLSA-N 2 1 240.435 3.419 20 0 BGADMP CCC[C@@H](CC)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000224592967 388667117 /nfs/dbraw/zinc/66/71/17/388667117.db2.gz YJFNUASJADONAD-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@H](CC)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000224593020 388667017 /nfs/dbraw/zinc/66/70/17/388667017.db2.gz YJFNUASJADONAD-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@@H](CC)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000224593061 388667396 /nfs/dbraw/zinc/66/73/96/388667396.db2.gz YJFNUASJADONAD-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@H](CC)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000224593107 388667031 /nfs/dbraw/zinc/66/70/31/388667031.db2.gz YJFNUASJADONAD-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000225252266 535003575 /nfs/dbraw/zinc/00/35/75/535003575.db2.gz VRGJAGHDJOBJGS-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000225252299 535003924 /nfs/dbraw/zinc/00/39/24/535003924.db2.gz VRGJAGHDJOBJGS-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000225270387 388678758 /nfs/dbraw/zinc/67/87/58/388678758.db2.gz CLUUTBVONKSQBC-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000225270387 388678757 /nfs/dbraw/zinc/67/87/57/388678757.db2.gz CLUUTBVONKSQBC-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000225270421 388678091 /nfs/dbraw/zinc/67/80/91/388678091.db2.gz CLUUTBVONKSQBC-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000225270421 388678088 /nfs/dbraw/zinc/67/80/88/388678088.db2.gz CLUUTBVONKSQBC-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000225939519 388693427 /nfs/dbraw/zinc/69/34/27/388693427.db2.gz FWPNLJDXQPNBQU-ZNMIVQPWSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000225939519 388693424 /nfs/dbraw/zinc/69/34/24/388693424.db2.gz FWPNLJDXQPNBQU-ZNMIVQPWSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000225939543 259408587 /nfs/dbraw/zinc/40/85/87/259408587.db2.gz FWPNLJDXQPNBQU-KKUMJFAQSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000225939543 259408586 /nfs/dbraw/zinc/40/85/86/259408586.db2.gz FWPNLJDXQPNBQU-KKUMJFAQSA-N 2 1 238.419 3.172 20 0 BGADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226098674 387053299 /nfs/dbraw/zinc/05/32/99/387053299.db2.gz UTSPFAWIAKAYJG-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226098674 387053293 /nfs/dbraw/zinc/05/32/93/387053293.db2.gz UTSPFAWIAKAYJG-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000226318339 388715144 /nfs/dbraw/zinc/71/51/44/388715144.db2.gz DKYIXALRLLWALY-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000226318339 388715142 /nfs/dbraw/zinc/71/51/42/388715142.db2.gz DKYIXALRLLWALY-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000226318342 388714737 /nfs/dbraw/zinc/71/47/37/388714737.db2.gz DKYIXALRLLWALY-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000226318342 388714733 /nfs/dbraw/zinc/71/47/33/388714733.db2.gz DKYIXALRLLWALY-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326524 345226623 /nfs/dbraw/zinc/22/66/23/345226623.db2.gz FVJBHRXWLYNHMQ-HOCLYGCPSA-N 2 1 246.398 3.199 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326528 384978163 /nfs/dbraw/zinc/97/81/63/384978163.db2.gz FVJBHRXWLYNHMQ-GOEBONIOSA-N 2 1 246.398 3.199 20 0 BGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226327585 388715912 /nfs/dbraw/zinc/71/59/12/388715912.db2.gz HUCBASPXZCNDLT-GXTWGEPZSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226327585 388715908 /nfs/dbraw/zinc/71/59/08/388715908.db2.gz HUCBASPXZCNDLT-GXTWGEPZSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC(CCC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226327591 388716331 /nfs/dbraw/zinc/71/63/31/388716331.db2.gz HUCBASPXZCNDLT-JSGCOSHPSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC(CCC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226327591 388716330 /nfs/dbraw/zinc/71/63/30/388716330.db2.gz HUCBASPXZCNDLT-JSGCOSHPSA-N 2 1 226.408 3.028 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226331203 384982423 /nfs/dbraw/zinc/98/24/23/384982423.db2.gz YHDZXJLLGHLYBS-FVQBIDKESA-N 2 1 246.398 3.197 20 0 BGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226429735 350430424 /nfs/dbraw/zinc/43/04/24/350430424.db2.gz YQBUJWQQBAXOOK-CVEARBPZSA-N 2 1 248.414 3.443 20 0 BGADMP CC[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226429740 134365729 /nfs/dbraw/zinc/36/57/29/134365729.db2.gz YQBUJWQQBAXOOK-HZPDHXFCSA-N 2 1 248.414 3.443 20 0 BGADMP Cc1cccc([C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000226431485 134365717 /nfs/dbraw/zinc/36/57/17/134365717.db2.gz ZNDXTXYCSLHNAY-GDBMZVCRSA-N 2 1 248.414 3.361 20 0 BGADMP Cc1cccc([C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000226431491 134365851 /nfs/dbraw/zinc/36/58/51/134365851.db2.gz ZNDXTXYCSLHNAY-GOEBONIOSA-N 2 1 248.414 3.361 20 0 BGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC000226437343 632407466 /nfs/dbraw/zinc/40/74/66/632407466.db2.gz LFLBYHLCXXKIBA-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)[C@@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000226701315 388726442 /nfs/dbraw/zinc/72/64/42/388726442.db2.gz YUSKQCWATWWHKD-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000226701325 388726434 /nfs/dbraw/zinc/72/64/34/388726434.db2.gz YUSKQCWATWWHKD-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000226701438 388726401 /nfs/dbraw/zinc/72/64/01/388726401.db2.gz IJMBJECGGRTBQM-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000226701449 388726741 /nfs/dbraw/zinc/72/67/41/388726741.db2.gz IJMBJECGGRTBQM-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000226869578 358347006 /nfs/dbraw/zinc/34/70/06/358347006.db2.gz NBTCPFHYXOQTDI-LXTVHRRPSA-N 2 1 238.419 3.014 20 0 BGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c(C)c1 ZINC000227023742 387955190 /nfs/dbraw/zinc/95/51/90/387955190.db2.gz JXDGKFSAIPAFSE-HOCLYGCPSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c(C)c1 ZINC000227023742 387955186 /nfs/dbraw/zinc/95/51/86/387955186.db2.gz JXDGKFSAIPAFSE-HOCLYGCPSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c(C)c1 ZINC000227023748 387954993 /nfs/dbraw/zinc/95/49/93/387954993.db2.gz JXDGKFSAIPAFSE-GOEBONIOSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c(C)c1 ZINC000227023748 387954989 /nfs/dbraw/zinc/95/49/89/387954989.db2.gz JXDGKFSAIPAFSE-GOEBONIOSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1C ZINC000227025034 385082696 /nfs/dbraw/zinc/08/26/96/385082696.db2.gz CMFQQDBYOPGHKO-HOCLYGCPSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1C ZINC000227025034 385082691 /nfs/dbraw/zinc/08/26/91/385082691.db2.gz CMFQQDBYOPGHKO-HOCLYGCPSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1C ZINC000227025044 385083838 /nfs/dbraw/zinc/08/38/38/385083838.db2.gz CMFQQDBYOPGHKO-GOEBONIOSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1C ZINC000227025044 385083830 /nfs/dbraw/zinc/08/38/30/385083830.db2.gz CMFQQDBYOPGHKO-GOEBONIOSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1C ZINC000227025532 179074352 /nfs/dbraw/zinc/07/43/52/179074352.db2.gz RESMGTDVDVETIO-HOCLYGCPSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1C ZINC000227025532 179074350 /nfs/dbraw/zinc/07/43/50/179074350.db2.gz RESMGTDVDVETIO-HOCLYGCPSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1C ZINC000227025543 179074483 /nfs/dbraw/zinc/07/44/83/179074483.db2.gz RESMGTDVDVETIO-GOEBONIOSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1C ZINC000227025543 179074481 /nfs/dbraw/zinc/07/44/81/179074481.db2.gz RESMGTDVDVETIO-GOEBONIOSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cc(C)cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000227025623 640809125 /nfs/dbraw/zinc/80/91/25/640809125.db2.gz GXJSDHZQSQQIBG-HOCLYGCPSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000227025623 640809117 /nfs/dbraw/zinc/80/91/17/640809117.db2.gz GXJSDHZQSQQIBG-HOCLYGCPSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000227025638 632414578 /nfs/dbraw/zinc/41/45/78/632414578.db2.gz GXJSDHZQSQQIBG-GOEBONIOSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000227025638 632414575 /nfs/dbraw/zinc/41/45/75/632414575.db2.gz GXJSDHZQSQQIBG-GOEBONIOSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C)c(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000227025793 387954693 /nfs/dbraw/zinc/95/46/93/387954693.db2.gz YUOPWNIYKMXDRN-HOCLYGCPSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000227025793 387954690 /nfs/dbraw/zinc/95/46/90/387954690.db2.gz YUOPWNIYKMXDRN-HOCLYGCPSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000227025802 387955207 /nfs/dbraw/zinc/95/52/07/387955207.db2.gz YUOPWNIYKMXDRN-GOEBONIOSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000227025802 387955205 /nfs/dbraw/zinc/95/52/05/387955205.db2.gz YUOPWNIYKMXDRN-GOEBONIOSA-N 2 1 246.398 3.005 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000227114930 388741196 /nfs/dbraw/zinc/74/11/96/388741196.db2.gz WDZKPDOVHYFITH-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000227114935 388740476 /nfs/dbraw/zinc/74/04/76/388740476.db2.gz WDZKPDOVHYFITH-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000227114940 388740515 /nfs/dbraw/zinc/74/05/15/388740515.db2.gz WDZKPDOVHYFITH-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]1CCCC[C@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000227114946 388741176 /nfs/dbraw/zinc/74/11/76/388741176.db2.gz WDZKPDOVHYFITH-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)[NH+](C)C ZINC000227188884 388743089 /nfs/dbraw/zinc/74/30/89/388743089.db2.gz WBFMRMCGNCYHNL-YUELXQCFSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)[NH+](C)C ZINC000227188893 388742846 /nfs/dbraw/zinc/74/28/46/388742846.db2.gz WBFMRMCGNCYHNL-SNPRPXQTSA-N 2 1 240.435 3.131 20 0 BGADMP CCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000227376210 535322700 /nfs/dbraw/zinc/32/27/00/535322700.db2.gz RYFFGUJMJYHDSX-VXGQWTEUSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000227376210 535322696 /nfs/dbraw/zinc/32/26/96/535322696.db2.gz RYFFGUJMJYHDSX-VXGQWTEUSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000227376215 535322808 /nfs/dbraw/zinc/32/28/08/535322808.db2.gz RYFFGUJMJYHDSX-PPWQZUPISA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000227376215 535322802 /nfs/dbraw/zinc/32/28/02/535322802.db2.gz RYFFGUJMJYHDSX-PPWQZUPISA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000227376450 388750598 /nfs/dbraw/zinc/75/05/98/388750598.db2.gz LSAHJONJASRSQG-LJISPDSOSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000227376450 388750595 /nfs/dbraw/zinc/75/05/95/388750595.db2.gz LSAHJONJASRSQG-LJISPDSOSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227709143 535003432 /nfs/dbraw/zinc/00/34/32/535003432.db2.gz XFCONBUHJORFOI-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000227709150 535004597 /nfs/dbraw/zinc/00/45/97/535004597.db2.gz XFCONBUHJORFOI-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227709429 388756675 /nfs/dbraw/zinc/75/66/75/388756675.db2.gz DIFWJIRPXJMLFG-CBBWQLFWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227709429 388756671 /nfs/dbraw/zinc/75/66/71/388756671.db2.gz DIFWJIRPXJMLFG-CBBWQLFWSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C/C=C/c1ccccc1 ZINC000227744060 134392519 /nfs/dbraw/zinc/39/25/19/134392519.db2.gz HPASLDYMTVLISP-YRNVUSSQSA-N 2 1 246.398 3.020 20 0 BGADMP CC(C)[N@H+](C)CCC[NH2+]C/C=C/c1ccccc1 ZINC000227744060 134392518 /nfs/dbraw/zinc/39/25/18/134392518.db2.gz HPASLDYMTVLISP-YRNVUSSQSA-N 2 1 246.398 3.020 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000227844650 134391326 /nfs/dbraw/zinc/39/13/26/134391326.db2.gz SWNRSPQJRMCYRQ-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229064794 640920112 /nfs/dbraw/zinc/92/01/12/640920112.db2.gz KFKFAUKMKJHFMI-VNQPRFMTSA-N 2 1 246.398 3.054 20 0 BGADMP [NH3+]CCC[N@H+](Cc1ccccc1)CC1CCCC1 ZINC000230002113 388809813 /nfs/dbraw/zinc/80/98/13/388809813.db2.gz PJPCLDREZPSPNM-UHFFFAOYSA-N 2 1 246.398 3.028 20 0 BGADMP CCCCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230008079 388348949 /nfs/dbraw/zinc/34/89/49/388348949.db2.gz ZGXBPFSTBAADDJ-UHFFFAOYSA-N 2 1 234.387 3.028 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000230393977 357533054 /nfs/dbraw/zinc/53/30/54/357533054.db2.gz WTYOSWLPCHXGQZ-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000230393980 357532874 /nfs/dbraw/zinc/53/28/74/357532874.db2.gz WTYOSWLPCHXGQZ-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000230394497 357533225 /nfs/dbraw/zinc/53/32/25/357533225.db2.gz WSJDZFHCBSMNMA-CBBWQLFWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000230394497 357533222 /nfs/dbraw/zinc/53/32/22/357533222.db2.gz WSJDZFHCBSMNMA-CBBWQLFWSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(C)(C)CC1 ZINC000230639695 357542022 /nfs/dbraw/zinc/54/20/22/357542022.db2.gz FXDHFPQZPNHGAX-UHFFFAOYSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000230639781 388827712 /nfs/dbraw/zinc/82/77/12/388827712.db2.gz QYCDXZWMUCHWLX-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000230639789 388827027 /nfs/dbraw/zinc/82/70/27/388827027.db2.gz QYCDXZWMUCHWLX-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000230639795 388827124 /nfs/dbraw/zinc/82/71/24/388827124.db2.gz QYCDXZWMUCHWLX-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000230639802 388827518 /nfs/dbraw/zinc/82/75/18/388827518.db2.gz QYCDXZWMUCHWLX-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(C)(C)CC1 ZINC000230652880 357544544 /nfs/dbraw/zinc/54/45/44/357544544.db2.gz ODAXGIVOLWKVEJ-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(C)(C)CC1 ZINC000230652880 357544539 /nfs/dbraw/zinc/54/45/39/357544539.db2.gz ODAXGIVOLWKVEJ-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(C)(C)CC1 ZINC000230652885 357544091 /nfs/dbraw/zinc/54/40/91/357544091.db2.gz ODAXGIVOLWKVEJ-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(C)(C)CC1 ZINC000230652885 357544087 /nfs/dbraw/zinc/54/40/87/357544087.db2.gz ODAXGIVOLWKVEJ-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(CC)CC1 ZINC000230652939 388827594 /nfs/dbraw/zinc/82/75/94/388827594.db2.gz FCQFAGFVPMMWOD-WLYUNCDWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(CC)CC1 ZINC000230652939 388827591 /nfs/dbraw/zinc/82/75/91/388827591.db2.gz FCQFAGFVPMMWOD-WLYUNCDWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(CC)CC1 ZINC000230652945 388827307 /nfs/dbraw/zinc/82/73/07/388827307.db2.gz FCQFAGFVPMMWOD-NFOMZHRRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(CC)CC1 ZINC000230652945 388827303 /nfs/dbraw/zinc/82/73/03/388827303.db2.gz FCQFAGFVPMMWOD-NFOMZHRRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000230652970 386467939 /nfs/dbraw/zinc/46/79/39/386467939.db2.gz DZVPFEOPGBUECY-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000230652970 386467935 /nfs/dbraw/zinc/46/79/35/386467935.db2.gz DZVPFEOPGBUECY-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000230652975 259323525 /nfs/dbraw/zinc/32/35/25/259323525.db2.gz DZVPFEOPGBUECY-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000230652975 259323523 /nfs/dbraw/zinc/32/35/23/259323523.db2.gz DZVPFEOPGBUECY-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000232599294 357672103 /nfs/dbraw/zinc/67/21/03/357672103.db2.gz CPZPZSHNEZEZLC-JKSUJKDBSA-N 2 1 246.398 3.115 20 0 BGADMP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000232600047 357672276 /nfs/dbraw/zinc/67/22/76/357672276.db2.gz CPZPZSHNEZEZLC-HZPDHXFCSA-N 2 1 246.398 3.115 20 0 BGADMP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000232613108 357669650 /nfs/dbraw/zinc/66/96/50/357669650.db2.gz CPZPZSHNEZEZLC-HOTGVXAUSA-N 2 1 246.398 3.115 20 0 BGADMP CC(C)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000232614083 357669500 /nfs/dbraw/zinc/66/95/00/357669500.db2.gz CPZPZSHNEZEZLC-CVEARBPZSA-N 2 1 246.398 3.115 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000232617143 357669719 /nfs/dbraw/zinc/66/97/19/357669719.db2.gz YVRJTABCEYVLIL-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]CCC1CCCCC1 ZINC000232653482 357673511 /nfs/dbraw/zinc/67/35/11/357673511.db2.gz YRXVABOYCSCJCH-UHFFFAOYSA-N 2 1 240.435 3.277 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000232656660 357680593 /nfs/dbraw/zinc/68/05/93/357680593.db2.gz YVRJTABCEYVLIL-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)C[N@@H+](CC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000232871778 259333204 /nfs/dbraw/zinc/33/32/04/259333204.db2.gz QPVOPKITXHZJRZ-DZGCQCFKSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)C[N@@H+](CC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232873390 388858819 /nfs/dbraw/zinc/85/88/19/388858819.db2.gz QPVOPKITXHZJRZ-ZFWWWQNUSA-N 2 1 240.435 3.133 20 0 BGADMP CCCCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000232982626 388860687 /nfs/dbraw/zinc/86/06/87/388860687.db2.gz PVTIAAZEVKPCAJ-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP CCCCC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000232984653 388860743 /nfs/dbraw/zinc/86/07/43/388860743.db2.gz PVTIAAZEVKPCAJ-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233297343 357712956 /nfs/dbraw/zinc/71/29/56/357712956.db2.gz QDVDEAQRLYFYQT-RRFJBIMHSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000233424846 537841674 /nfs/dbraw/zinc/84/16/74/537841674.db2.gz MHQKGYZBQSZQOV-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000233459432 259662766 /nfs/dbraw/zinc/66/27/66/259662766.db2.gz MHQKGYZBQSZQOV-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000233481319 353823330 /nfs/dbraw/zinc/82/33/30/353823330.db2.gz XMOBXFTYHGNSEZ-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000233528759 353826545 /nfs/dbraw/zinc/82/65/45/353826545.db2.gz XMOBXFTYHGNSEZ-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233912400 343129232 /nfs/dbraw/zinc/12/92/32/343129232.db2.gz AUAFEBRNXYTPNB-RRFJBIMHSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000234010497 388351517 /nfs/dbraw/zinc/35/15/17/388351517.db2.gz ZLZQFUBDPHZNPR-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000234010497 388351516 /nfs/dbraw/zinc/35/15/16/388351516.db2.gz ZLZQFUBDPHZNPR-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000235098081 388364912 /nfs/dbraw/zinc/36/49/12/388364912.db2.gz VLKVNXHTHQGUPK-GXTWGEPZSA-N 2 1 234.387 3.101 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000235146850 388365618 /nfs/dbraw/zinc/36/56/18/388365618.db2.gz VLKVNXHTHQGUPK-JSGCOSHPSA-N 2 1 234.387 3.101 20 0 BGADMP C[C@@H](C[NH3+])N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000235146850 388365615 /nfs/dbraw/zinc/36/56/15/388365615.db2.gz VLKVNXHTHQGUPK-JSGCOSHPSA-N 2 1 234.387 3.101 20 0 BGADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CCCCCC2)CC[NH2+]1 ZINC000235364427 176412195 /nfs/dbraw/zinc/41/21/95/176412195.db2.gz XEUQFLKCDCDXJM-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CCCCCC2)CC[NH2+]1 ZINC000235378775 176367705 /nfs/dbraw/zinc/36/77/05/176367705.db2.gz XEUQFLKCDCDXJM-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000235459793 259673698 /nfs/dbraw/zinc/67/36/98/259673698.db2.gz VLKVNXHTHQGUPK-OCCSQVGLSA-N 2 1 234.387 3.101 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000235462901 386167066 /nfs/dbraw/zinc/16/70/66/386167066.db2.gz VLKVNXHTHQGUPK-TZMCWYRMSA-N 2 1 234.387 3.101 20 0 BGADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CCCCCC2)CC[NH2+]1 ZINC000235697167 177323935 /nfs/dbraw/zinc/32/39/35/177323935.db2.gz XEUQFLKCDCDXJM-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1C[C@H](C[N@@H+](C)C2CCCCCC2)CC[NH2+]1 ZINC000235723430 177361701 /nfs/dbraw/zinc/36/17/01/177361701.db2.gz XEUQFLKCDCDXJM-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C)CC[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000236608540 387900232 /nfs/dbraw/zinc/90/02/32/387900232.db2.gz JCFMERMXVGCRIQ-UHFFFAOYSA-N 2 1 240.435 3.277 20 0 BGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CC2CC2)c1 ZINC000236665124 188367678 /nfs/dbraw/zinc/36/76/78/188367678.db2.gz WMYOPAXIVZCZMV-UHFFFAOYSA-N 2 1 246.398 3.026 20 0 BGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000236753048 388382787 /nfs/dbraw/zinc/38/27/87/388382787.db2.gz RMLLIWJNIUFGMS-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000236753048 388382786 /nfs/dbraw/zinc/38/27/86/388382786.db2.gz RMLLIWJNIUFGMS-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCCC1 ZINC000236754726 634565738 /nfs/dbraw/zinc/56/57/38/634565738.db2.gz QLZNIAZJHZSYFB-HNNXBMFYSA-N 2 1 238.419 3.173 20 0 BGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCCC1 ZINC000236754726 634565726 /nfs/dbraw/zinc/56/57/26/634565726.db2.gz QLZNIAZJHZSYFB-HNNXBMFYSA-N 2 1 238.419 3.173 20 0 BGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CC1 ZINC000236756431 388382438 /nfs/dbraw/zinc/38/24/38/388382438.db2.gz RMLLIWJNIUFGMS-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CC1 ZINC000236756431 388382436 /nfs/dbraw/zinc/38/24/36/388382436.db2.gz RMLLIWJNIUFGMS-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC(CCC)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000236773339 386312044 /nfs/dbraw/zinc/31/20/44/386312044.db2.gz QUQWBMXFFWBYNQ-CYBMUJFWSA-N 2 1 228.424 3.275 20 0 BGADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCCC1)CC(C)C ZINC000236839675 635442014 /nfs/dbraw/zinc/44/20/14/635442014.db2.gz FVWFIWCVGTXRQV-OAHLLOKOSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CC1)CC(C)C ZINC000236859859 388384898 /nfs/dbraw/zinc/38/48/98/388384898.db2.gz AFPIUJQVOLFWCQ-DZGCQCFKSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CC1)CC(C)C ZINC000236860702 388385016 /nfs/dbraw/zinc/38/50/16/388385016.db2.gz AFPIUJQVOLFWCQ-UKRRQHHQSA-N 2 1 240.435 3.131 20 0 BGADMP CCC1CCC([NH2+]C[C@@H](C)[NH+](CC)CC)CC1 ZINC000236862761 388384391 /nfs/dbraw/zinc/38/43/91/388384391.db2.gz XYTCGJRRAZJCCU-WLYUNCDWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C)(C)CC1 ZINC000236867477 387911951 /nfs/dbraw/zinc/91/19/51/387911951.db2.gz GFEJOXIVBBXFDR-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCCCCCC1 ZINC000236867509 635607675 /nfs/dbraw/zinc/60/76/75/635607675.db2.gz VMICFCHZHIJIBB-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000236867661 384695350 /nfs/dbraw/zinc/69/53/50/384695350.db2.gz ZISOZCRUBJWHSD-HUUCEWRRSA-N 2 1 248.414 3.110 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000236867696 384696616 /nfs/dbraw/zinc/69/66/16/384696616.db2.gz ZISOZCRUBJWHSD-LSDHHAIUSA-N 2 1 248.414 3.110 20 0 BGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CC1)CC(C)C ZINC000236903153 388386298 /nfs/dbraw/zinc/38/62/98/388386298.db2.gz AFPIUJQVOLFWCQ-ZFWWWQNUSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CC1)CC(C)C ZINC000236903771 388385861 /nfs/dbraw/zinc/38/58/61/388385861.db2.gz AFPIUJQVOLFWCQ-HIFRSBDPSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1 ZINC000236917977 398117568 /nfs/dbraw/zinc/11/75/68/398117568.db2.gz IDMHDXLHNHWXHH-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1 ZINC000236918422 398117720 /nfs/dbraw/zinc/11/77/20/398117720.db2.gz IDMHDXLHNHWXHH-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP C[NH+](C)[C@H](C[NH2+]CC(C)(C)C)C1CCCCC1 ZINC000237004258 351266792 /nfs/dbraw/zinc/26/67/92/351266792.db2.gz RKQVQXNMCYIWHK-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1 ZINC000237037897 388388321 /nfs/dbraw/zinc/38/83/21/388388321.db2.gz IDMHDXLHNHWXHH-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]1CCC[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1 ZINC000237038170 259680268 /nfs/dbraw/zinc/68/02/68/259680268.db2.gz IDMHDXLHNHWXHH-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCC(C)(C)CC1 ZINC000237042143 136272094 /nfs/dbraw/zinc/27/20/94/136272094.db2.gz GFEJOXIVBBXFDR-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000237042269 169796282 /nfs/dbraw/zinc/79/62/82/169796282.db2.gz ZISOZCRUBJWHSD-CABCVRRESA-N 2 1 248.414 3.110 20 0 BGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000237042294 385269900 /nfs/dbraw/zinc/26/99/00/385269900.db2.gz ZISOZCRUBJWHSD-GJZGRUSLSA-N 2 1 248.414 3.110 20 0 BGADMP C[NH+](C)[C@@H](C[NH2+]CC(C)(C)C)C1CCCCC1 ZINC000237155205 351345490 /nfs/dbraw/zinc/34/54/90/351345490.db2.gz RKQVQXNMCYIWHK-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000237399422 355885953 /nfs/dbraw/zinc/88/59/53/355885953.db2.gz UWHBHOUWOGCVQA-CYBMUJFWSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000237399422 355885944 /nfs/dbraw/zinc/88/59/44/355885944.db2.gz UWHBHOUWOGCVQA-CYBMUJFWSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC(C)(C)C)C1 ZINC000237399995 355885987 /nfs/dbraw/zinc/88/59/87/355885987.db2.gz WNYDLMIPFHNXEO-CQSZACIVSA-N 2 1 240.435 3.134 20 0 BGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CC(C)(C)C ZINC000237498189 357042144 /nfs/dbraw/zinc/04/21/44/357042144.db2.gz NHMULTDULAYYME-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000237574427 357229865 /nfs/dbraw/zinc/22/98/65/357229865.db2.gz UWHBHOUWOGCVQA-ZDUSSCGKSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)C)C1 ZINC000237574427 357229861 /nfs/dbraw/zinc/22/98/61/357229861.db2.gz UWHBHOUWOGCVQA-ZDUSSCGKSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC(C)(C)C)C1 ZINC000237574950 357229750 /nfs/dbraw/zinc/22/97/50/357229750.db2.gz WNYDLMIPFHNXEO-AWEZNQCLSA-N 2 1 240.435 3.134 20 0 BGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CC(C)(C)C ZINC000237669527 357994490 /nfs/dbraw/zinc/99/44/90/357994490.db2.gz NHMULTDULAYYME-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000245450258 387950293 /nfs/dbraw/zinc/95/02/93/387950293.db2.gz OLGYLDWZEDUOGM-CABCVRRESA-N 2 1 246.398 3.021 20 0 BGADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000245450258 387950289 /nfs/dbraw/zinc/95/02/89/387950289.db2.gz OLGYLDWZEDUOGM-CABCVRRESA-N 2 1 246.398 3.021 20 0 BGADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000245450258 387950285 /nfs/dbraw/zinc/95/02/85/387950285.db2.gz OLGYLDWZEDUOGM-CABCVRRESA-N 2 1 246.398 3.021 20 0 BGADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000245450259 387950545 /nfs/dbraw/zinc/95/05/45/387950545.db2.gz OLGYLDWZEDUOGM-HUUCEWRRSA-N 2 1 246.398 3.021 20 0 BGADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000245450259 387950541 /nfs/dbraw/zinc/95/05/41/387950541.db2.gz OLGYLDWZEDUOGM-HUUCEWRRSA-N 2 1 246.398 3.021 20 0 BGADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000245450259 387950534 /nfs/dbraw/zinc/95/05/34/387950534.db2.gz OLGYLDWZEDUOGM-HUUCEWRRSA-N 2 1 246.398 3.021 20 0 BGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000245459507 387947966 /nfs/dbraw/zinc/94/79/66/387947966.db2.gz LLMVVESOSBKROC-CABCVRRESA-N 2 1 246.398 3.069 20 0 BGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000245459508 387947862 /nfs/dbraw/zinc/94/78/62/387947862.db2.gz LLMVVESOSBKROC-HUUCEWRRSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@H]1C ZINC000245462509 387948103 /nfs/dbraw/zinc/94/81/03/387948103.db2.gz WXUNRKFQNZDHOA-HUUCEWRRSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@@H](C)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000245543126 387957480 /nfs/dbraw/zinc/95/74/80/387957480.db2.gz SDVMJPGATYMTDQ-HUUCEWRRSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@H](C)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000245543128 387957398 /nfs/dbraw/zinc/95/73/98/387957398.db2.gz SDVMJPGATYMTDQ-LSDHHAIUSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@@H](C)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000245546952 387958805 /nfs/dbraw/zinc/95/88/05/387958805.db2.gz WVVVXJPFTQYBAQ-HUUCEWRRSA-N 2 1 240.435 3.134 20 0 BGADMP CC[C@H](C)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000245546955 387958969 /nfs/dbraw/zinc/95/89/69/387958969.db2.gz WVVVXJPFTQYBAQ-LSDHHAIUSA-N 2 1 240.435 3.134 20 0 BGADMP CCC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245567777 387962542 /nfs/dbraw/zinc/96/25/42/387962542.db2.gz UVUNHRVWQSJZBB-CABCVRRESA-N 2 1 238.419 3.125 20 0 BGADMP CCC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245567777 387962536 /nfs/dbraw/zinc/96/25/36/387962536.db2.gz UVUNHRVWQSJZBB-CABCVRRESA-N 2 1 238.419 3.125 20 0 BGADMP CCC[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245567777 387962530 /nfs/dbraw/zinc/96/25/30/387962530.db2.gz UVUNHRVWQSJZBB-CABCVRRESA-N 2 1 238.419 3.125 20 0 BGADMP CCC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245567778 387961528 /nfs/dbraw/zinc/96/15/28/387961528.db2.gz UVUNHRVWQSJZBB-HUUCEWRRSA-N 2 1 238.419 3.125 20 0 BGADMP CCC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245567778 387961523 /nfs/dbraw/zinc/96/15/23/387961523.db2.gz UVUNHRVWQSJZBB-HUUCEWRRSA-N 2 1 238.419 3.125 20 0 BGADMP CCC[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245567778 387961522 /nfs/dbraw/zinc/96/15/22/387961522.db2.gz UVUNHRVWQSJZBB-HUUCEWRRSA-N 2 1 238.419 3.125 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000245607302 180233030 /nfs/dbraw/zinc/23/30/30/180233030.db2.gz KKOOQLMKGFRWFU-UONOGXRCSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C)[C@H]1C ZINC000245607302 180233029 /nfs/dbraw/zinc/23/30/29/180233029.db2.gz KKOOQLMKGFRWFU-UONOGXRCSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000245607305 180232520 /nfs/dbraw/zinc/23/25/20/180232520.db2.gz KKOOQLMKGFRWFU-ZIAGYGMSSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000245607305 180232518 /nfs/dbraw/zinc/23/25/18/180232518.db2.gz KKOOQLMKGFRWFU-ZIAGYGMSSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000245624919 180234319 /nfs/dbraw/zinc/23/43/19/180234319.db2.gz ORHKAWGMWMJHBI-UONOGXRCSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000245624919 180234316 /nfs/dbraw/zinc/23/43/16/180234316.db2.gz ORHKAWGMWMJHBI-UONOGXRCSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)CC[C@H]1C ZINC000245624922 180236416 /nfs/dbraw/zinc/23/64/16/180236416.db2.gz ORHKAWGMWMJHBI-ZIAGYGMSSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000245624922 180236415 /nfs/dbraw/zinc/23/64/15/180236415.db2.gz ORHKAWGMWMJHBI-ZIAGYGMSSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CCCC[N@H+]1C[C@H](C)CC[C@H]1C ZINC000245624922 180236413 /nfs/dbraw/zinc/23/64/13/180236413.db2.gz ORHKAWGMWMJHBI-ZIAGYGMSSA-N 2 1 249.402 3.092 20 0 BGADMP CCC[C@@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000245640608 388595664 /nfs/dbraw/zinc/59/56/64/388595664.db2.gz DJFZZWUKLHQYKI-CABCVRRESA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@@H](C)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000245640608 388595663 /nfs/dbraw/zinc/59/56/63/388595663.db2.gz DJFZZWUKLHQYKI-CABCVRRESA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000245640608 388595660 /nfs/dbraw/zinc/59/56/60/388595660.db2.gz DJFZZWUKLHQYKI-CABCVRRESA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000245640614 388595268 /nfs/dbraw/zinc/59/52/68/388595268.db2.gz DJFZZWUKLHQYKI-GJZGRUSLSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@H](C)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000245640614 388595265 /nfs/dbraw/zinc/59/52/65/388595265.db2.gz DJFZZWUKLHQYKI-GJZGRUSLSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000245640614 388595263 /nfs/dbraw/zinc/59/52/63/388595263.db2.gz DJFZZWUKLHQYKI-GJZGRUSLSA-N 2 1 240.435 3.086 20 0 BGADMP CC[C@@H]1CCCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245729567 387978249 /nfs/dbraw/zinc/97/82/49/387978249.db2.gz VULXCGFJINIAHL-HUUCEWRRSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@@H]1CCCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245729567 387978245 /nfs/dbraw/zinc/97/82/45/387978245.db2.gz VULXCGFJINIAHL-HUUCEWRRSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245729567 387978239 /nfs/dbraw/zinc/97/82/39/387978239.db2.gz VULXCGFJINIAHL-HUUCEWRRSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@H]1CCCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245729573 387978099 /nfs/dbraw/zinc/97/80/99/387978099.db2.gz VULXCGFJINIAHL-LSDHHAIUSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@H]1CCCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245729573 387978094 /nfs/dbraw/zinc/97/80/94/387978094.db2.gz VULXCGFJINIAHL-LSDHHAIUSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245729573 387978090 /nfs/dbraw/zinc/97/80/90/387978090.db2.gz VULXCGFJINIAHL-LSDHHAIUSA-N 2 1 238.419 3.125 20 0 BGADMP C[C@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245812779 387984745 /nfs/dbraw/zinc/98/47/45/387984745.db2.gz HVJQJOIBIBGQBT-CABCVRRESA-N 2 1 246.398 3.021 20 0 BGADMP C[C@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245812779 387984744 /nfs/dbraw/zinc/98/47/44/387984744.db2.gz HVJQJOIBIBGQBT-CABCVRRESA-N 2 1 246.398 3.021 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245812779 387984740 /nfs/dbraw/zinc/98/47/40/387984740.db2.gz HVJQJOIBIBGQBT-CABCVRRESA-N 2 1 246.398 3.021 20 0 BGADMP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245812779 387984737 /nfs/dbraw/zinc/98/47/37/387984737.db2.gz HVJQJOIBIBGQBT-CABCVRRESA-N 2 1 246.398 3.021 20 0 BGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245812786 387984944 /nfs/dbraw/zinc/98/49/44/387984944.db2.gz HVJQJOIBIBGQBT-GJZGRUSLSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245812786 387984942 /nfs/dbraw/zinc/98/49/42/387984942.db2.gz HVJQJOIBIBGQBT-GJZGRUSLSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245812786 387984937 /nfs/dbraw/zinc/98/49/37/387984937.db2.gz HVJQJOIBIBGQBT-GJZGRUSLSA-N 2 1 246.398 3.021 20 0 BGADMP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245812786 387984934 /nfs/dbraw/zinc/98/49/34/387984934.db2.gz HVJQJOIBIBGQBT-GJZGRUSLSA-N 2 1 246.398 3.021 20 0 BGADMP CCC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245854549 388607665 /nfs/dbraw/zinc/60/76/65/388607665.db2.gz NESIBXSKTGKYLN-CABCVRRESA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@H](C)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245854557 388608007 /nfs/dbraw/zinc/60/80/07/388608007.db2.gz NESIBXSKTGKYLN-GJZGRUSLSA-N 2 1 240.435 3.086 20 0 BGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)CC[N@H+]1C ZINC000245906187 134871095 /nfs/dbraw/zinc/87/10/95/134871095.db2.gz BCOKQWNWLSDZHZ-CBBWQLFWSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)CC[N@@H+]1C ZINC000245906187 134871093 /nfs/dbraw/zinc/87/10/93/134871093.db2.gz BCOKQWNWLSDZHZ-CBBWQLFWSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)CC2)CC[N@H+]1C ZINC000245906189 398118876 /nfs/dbraw/zinc/11/88/76/398118876.db2.gz BCOKQWNWLSDZHZ-KBXIAJHMSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)CC2)CC[N@@H+]1C ZINC000245906189 398118872 /nfs/dbraw/zinc/11/88/72/398118872.db2.gz BCOKQWNWLSDZHZ-KBXIAJHMSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)CC2)CC[N@H+]1C ZINC000245906196 398118859 /nfs/dbraw/zinc/11/88/59/398118859.db2.gz BCOKQWNWLSDZHZ-QPSCCSFWSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)CC2)CC[N@@H+]1C ZINC000245906196 398118852 /nfs/dbraw/zinc/11/88/52/398118852.db2.gz BCOKQWNWLSDZHZ-QPSCCSFWSA-N 2 1 238.419 3.028 20 0 BGADMP CCC(CC)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245943986 388611149 /nfs/dbraw/zinc/61/11/49/388611149.db2.gz RLYWWAATDYCLCL-HIFRSBDPSA-N 2 1 240.435 3.085 20 0 BGADMP CCC(CC)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245943986 388611148 /nfs/dbraw/zinc/61/11/48/388611148.db2.gz RLYWWAATDYCLCL-HIFRSBDPSA-N 2 1 240.435 3.085 20 0 BGADMP CCC(CC)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245943987 388611737 /nfs/dbraw/zinc/61/17/37/388611737.db2.gz RLYWWAATDYCLCL-UKRRQHHQSA-N 2 1 240.435 3.085 20 0 BGADMP CCC(CC)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245943987 388611736 /nfs/dbraw/zinc/61/17/36/388611736.db2.gz RLYWWAATDYCLCL-UKRRQHHQSA-N 2 1 240.435 3.085 20 0 BGADMP C1=C(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000246082715 388006689 /nfs/dbraw/zinc/00/66/89/388006689.db2.gz YLMJKDCFAOFUOK-CVEARBPZSA-N 2 1 248.414 3.093 20 0 BGADMP C1=C(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000246082719 388006798 /nfs/dbraw/zinc/00/67/98/388006798.db2.gz YLMJKDCFAOFUOK-HOTGVXAUSA-N 2 1 248.414 3.093 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246159959 388622124 /nfs/dbraw/zinc/62/21/24/388622124.db2.gz LSAHJONJASRSQG-KBXIAJHMSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246159959 388622122 /nfs/dbraw/zinc/62/21/22/388622122.db2.gz LSAHJONJASRSQG-KBXIAJHMSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246159972 388621389 /nfs/dbraw/zinc/62/13/89/388621389.db2.gz LSAHJONJASRSQG-XGUBFFRZSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246159972 388621388 /nfs/dbraw/zinc/62/13/88/388621388.db2.gz LSAHJONJASRSQG-XGUBFFRZSA-N 2 1 238.419 3.028 20 0 BGADMP CCC(CC)(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246289815 388628436 /nfs/dbraw/zinc/62/84/36/388628436.db2.gz CFWWCXAAMOZXPJ-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246289825 388628904 /nfs/dbraw/zinc/62/89/04/388628904.db2.gz CFWWCXAAMOZXPJ-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC000246342647 388631658 /nfs/dbraw/zinc/63/16/58/388631658.db2.gz GZOOQRMZICQVEG-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC000246342654 388631715 /nfs/dbraw/zinc/63/17/15/388631715.db2.gz GZOOQRMZICQVEG-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000246417285 364592580 /nfs/dbraw/zinc/59/25/80/364592580.db2.gz MXKAFIPHUHURRC-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000246417295 364592734 /nfs/dbraw/zinc/59/27/34/364592734.db2.gz MXKAFIPHUHURRC-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)C)[C@@H](C)C1 ZINC000246489287 323129386 /nfs/dbraw/zinc/12/93/86/323129386.db2.gz IHMYYLDTLBWIQI-KBPBESRZSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)C)[C@@H](C)C1 ZINC000246489287 323129385 /nfs/dbraw/zinc/12/93/85/323129385.db2.gz IHMYYLDTLBWIQI-KBPBESRZSA-N 2 1 240.435 3.085 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C)[C@@H](C)C1 ZINC000246489287 323129384 /nfs/dbraw/zinc/12/93/84/323129384.db2.gz IHMYYLDTLBWIQI-KBPBESRZSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)C)[C@@H](C)C1 ZINC000246489300 388639105 /nfs/dbraw/zinc/63/91/05/388639105.db2.gz IHMYYLDTLBWIQI-UONOGXRCSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)C)[C@@H](C)C1 ZINC000246489300 388639103 /nfs/dbraw/zinc/63/91/03/388639103.db2.gz IHMYYLDTLBWIQI-UONOGXRCSA-N 2 1 240.435 3.085 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C)[C@@H](C)C1 ZINC000246489300 388639101 /nfs/dbraw/zinc/63/91/01/388639101.db2.gz IHMYYLDTLBWIQI-UONOGXRCSA-N 2 1 240.435 3.085 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246751549 359161770 /nfs/dbraw/zinc/16/17/70/359161770.db2.gz NHWOWAKLZZNONY-FIBILERRSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246751549 359161763 /nfs/dbraw/zinc/16/17/63/359161763.db2.gz NHWOWAKLZZNONY-FIBILERRSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246751569 359161827 /nfs/dbraw/zinc/16/18/27/359161827.db2.gz NHWOWAKLZZNONY-MLQJFRMTSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246751569 359161821 /nfs/dbraw/zinc/16/18/21/359161821.db2.gz NHWOWAKLZZNONY-MLQJFRMTSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246751582 359161093 /nfs/dbraw/zinc/16/10/93/359161093.db2.gz NHWOWAKLZZNONY-UUQIVFDPSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246751582 359161090 /nfs/dbraw/zinc/16/10/90/359161090.db2.gz NHWOWAKLZZNONY-UUQIVFDPSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246751598 359161611 /nfs/dbraw/zinc/16/16/11/359161611.db2.gz NHWOWAKLZZNONY-WQGXVZNYSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246751598 359161604 /nfs/dbraw/zinc/16/16/04/359161604.db2.gz NHWOWAKLZZNONY-WQGXVZNYSA-N 2 1 238.419 3.026 20 0 BGADMP C[C@@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@H]1C ZINC000246843148 176071158 /nfs/dbraw/zinc/07/11/58/176071158.db2.gz CMVZHMNTXZVOMV-HUUCEWRRSA-N 2 1 238.419 3.125 20 0 BGADMP CC(C)[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000246848311 359170056 /nfs/dbraw/zinc/17/00/56/359170056.db2.gz CMUFOGXVTBXTJQ-HUUCEWRRSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000246848328 359169997 /nfs/dbraw/zinc/16/99/97/359169997.db2.gz CMUFOGXVTBXTJQ-LSDHHAIUSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)[N@H+](C)C[C@H](C)C[NH+](C)[C@@H](C)CC ZINC000246883419 388653570 /nfs/dbraw/zinc/65/35/70/388653570.db2.gz KIOHEFQEBKHOGF-BTTYYORXSA-N 2 1 228.424 3.083 20 0 BGADMP CC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH+](C)[C@@H](C)CC ZINC000246883419 388653566 /nfs/dbraw/zinc/65/35/66/388653566.db2.gz KIOHEFQEBKHOGF-BTTYYORXSA-N 2 1 228.424 3.083 20 0 BGADMP CC[C@@H](C)[NH+](C)C[C@H](C)C[N@H+](C)[C@@H](C)CC ZINC000246883419 388653565 /nfs/dbraw/zinc/65/35/65/388653565.db2.gz KIOHEFQEBKHOGF-BTTYYORXSA-N 2 1 228.424 3.083 20 0 BGADMP CC[C@@H](C)[NH+](C)CC(C)C[N@H+](C)[C@H](C)CC ZINC000246883427 388653794 /nfs/dbraw/zinc/65/37/94/388653794.db2.gz KIOHEFQEBKHOGF-ZIAGYGMSSA-N 2 1 228.424 3.083 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000246924624 388654609 /nfs/dbraw/zinc/65/46/09/388654609.db2.gz GXAQCKXUWJAHJN-RRFJBIMHSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000246924648 388655465 /nfs/dbraw/zinc/65/54/65/388655465.db2.gz GXAQCKXUWJAHJN-ZNMIVQPWSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000247018624 388657878 /nfs/dbraw/zinc/65/78/78/388657878.db2.gz MRIYBWFOEXDOKJ-RRFJBIMHSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000247018642 388657345 /nfs/dbraw/zinc/65/73/45/388657345.db2.gz MRIYBWFOEXDOKJ-SOUVJXGZSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)C)C1 ZINC000247116440 388658593 /nfs/dbraw/zinc/65/85/93/388658593.db2.gz UHWQGMCFCNARLN-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C(C)(C)C)C1 ZINC000247116451 323131941 /nfs/dbraw/zinc/13/19/41/323131941.db2.gz UHWQGMCFCNARLN-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP C1=C[C@@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000247193074 359200284 /nfs/dbraw/zinc/20/02/84/359200284.db2.gz VORZYQHIVOPIIV-CVEARBPZSA-N 2 1 248.414 3.045 20 0 BGADMP C1=C[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000247193089 359200791 /nfs/dbraw/zinc/20/07/91/359200791.db2.gz VORZYQHIVOPIIV-HZPDHXFCSA-N 2 1 248.414 3.045 20 0 BGADMP CC(C)[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000247196099 359200098 /nfs/dbraw/zinc/20/00/98/359200098.db2.gz WATZGFPZTUNOEC-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000247196105 359200154 /nfs/dbraw/zinc/20/01/54/359200154.db2.gz WATZGFPZTUNOEC-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000247217070 388661389 /nfs/dbraw/zinc/66/13/89/388661389.db2.gz XIZIZKRLAMPXQC-UONOGXRCSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000247217088 388661071 /nfs/dbraw/zinc/66/10/71/388661071.db2.gz XIZIZKRLAMPXQC-ZIAGYGMSSA-N 2 1 226.408 3.029 20 0 BGADMP CCCCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247340755 644634420 /nfs/dbraw/zinc/63/44/20/644634420.db2.gz ZVSHNIRWSKMJDB-CABCVRRESA-N 2 1 240.435 3.229 20 0 BGADMP CCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000247340755 644634417 /nfs/dbraw/zinc/63/44/17/644634417.db2.gz ZVSHNIRWSKMJDB-CABCVRRESA-N 2 1 240.435 3.229 20 0 BGADMP CCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247340769 635664823 /nfs/dbraw/zinc/66/48/23/635664823.db2.gz ZVSHNIRWSKMJDB-HUUCEWRRSA-N 2 1 240.435 3.229 20 0 BGADMP CCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000247340769 635664821 /nfs/dbraw/zinc/66/48/21/635664821.db2.gz ZVSHNIRWSKMJDB-HUUCEWRRSA-N 2 1 240.435 3.229 20 0 BGADMP CCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000247340769 635664816 /nfs/dbraw/zinc/66/48/16/635664816.db2.gz ZVSHNIRWSKMJDB-HUUCEWRRSA-N 2 1 240.435 3.229 20 0 BGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000247387969 359217797 /nfs/dbraw/zinc/21/77/97/359217797.db2.gz VJKKXSHNDWNDCY-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000247387984 359217788 /nfs/dbraw/zinc/21/77/88/359217788.db2.gz VJKKXSHNDWNDCY-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](c1ccccc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000247449650 359220862 /nfs/dbraw/zinc/22/08/62/359220862.db2.gz ZBBQUOMOTHOHQM-GDBMZVCRSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@H](c1ccccc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000247449650 359220860 /nfs/dbraw/zinc/22/08/60/359220860.db2.gz ZBBQUOMOTHOHQM-GDBMZVCRSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247449650 359220857 /nfs/dbraw/zinc/22/08/57/359220857.db2.gz ZBBQUOMOTHOHQM-GDBMZVCRSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@@H](c1ccccc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000247449661 359221006 /nfs/dbraw/zinc/22/10/06/359221006.db2.gz ZBBQUOMOTHOHQM-GOEBONIOSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@@H](c1ccccc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000247449661 359221005 /nfs/dbraw/zinc/22/10/05/359221005.db2.gz ZBBQUOMOTHOHQM-GOEBONIOSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247449661 359221002 /nfs/dbraw/zinc/22/10/02/359221002.db2.gz ZBBQUOMOTHOHQM-GOEBONIOSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC000247883521 388670394 /nfs/dbraw/zinc/67/03/94/388670394.db2.gz CJUULTVRJMINLO-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C(C)(C)C ZINC000247883523 388670408 /nfs/dbraw/zinc/67/04/08/388670408.db2.gz CJUULTVRJMINLO-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000247922304 388670251 /nfs/dbraw/zinc/67/02/51/388670251.db2.gz BHKWKZAUGFOSFT-RRFJBIMHSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000247922309 388671089 /nfs/dbraw/zinc/67/10/89/388671089.db2.gz BHKWKZAUGFOSFT-ZNMIVQPWSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCC1 ZINC000248066463 364627131 /nfs/dbraw/zinc/62/71/31/364627131.db2.gz ZPPGMHUZVGXWFR-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCC1 ZINC000248066468 364627099 /nfs/dbraw/zinc/62/70/99/364627099.db2.gz ZPPGMHUZVGXWFR-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248134370 388673771 /nfs/dbraw/zinc/67/37/71/388673771.db2.gz OVQJSMWGJMSAOC-HZSPNIEDSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248134370 388673768 /nfs/dbraw/zinc/67/37/68/388673768.db2.gz OVQJSMWGJMSAOC-HZSPNIEDSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248134376 388674664 /nfs/dbraw/zinc/67/46/64/388674664.db2.gz OVQJSMWGJMSAOC-MCIONIFRSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248134376 388674662 /nfs/dbraw/zinc/67/46/62/388674662.db2.gz OVQJSMWGJMSAOC-MCIONIFRSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248134379 388674099 /nfs/dbraw/zinc/67/40/99/388674099.db2.gz OVQJSMWGJMSAOC-MGPQQGTHSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248134379 388674096 /nfs/dbraw/zinc/67/40/96/388674096.db2.gz OVQJSMWGJMSAOC-MGPQQGTHSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248134384 388674657 /nfs/dbraw/zinc/67/46/57/388674657.db2.gz OVQJSMWGJMSAOC-RDBSUJKOSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248134384 388674655 /nfs/dbraw/zinc/67/46/55/388674655.db2.gz OVQJSMWGJMSAOC-RDBSUJKOSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC2(C)C)CC[N@H+]1C ZINC000248200249 388675291 /nfs/dbraw/zinc/67/52/91/388675291.db2.gz YLSAZGBTOXNZAD-MCIONIFRSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC2(C)C)CC[N@@H+]1C ZINC000248200249 388675288 /nfs/dbraw/zinc/67/52/88/388675288.db2.gz YLSAZGBTOXNZAD-MCIONIFRSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2(C)C)CC[N@H+]1C ZINC000248200250 388675145 /nfs/dbraw/zinc/67/51/45/388675145.db2.gz YLSAZGBTOXNZAD-RDBSUJKOSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2(C)C)CC[N@@H+]1C ZINC000248200250 388675142 /nfs/dbraw/zinc/67/51/42/388675142.db2.gz YLSAZGBTOXNZAD-RDBSUJKOSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248398994 388677927 /nfs/dbraw/zinc/67/79/27/388677927.db2.gz JIAKWJSINPFRPA-IHRRRGAJSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248398996 388677531 /nfs/dbraw/zinc/67/75/31/388677531.db2.gz JIAKWJSINPFRPA-MJBXVCDLSA-N 2 1 238.419 3.028 20 0 BGADMP CC/C=C/CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000248613272 388687063 /nfs/dbraw/zinc/68/70/63/388687063.db2.gz JBYCPUMZYLOVLX-FHFZEBMASA-N 2 1 238.419 3.005 20 0 BGADMP CCC[C@@H](C)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000248738677 388692263 /nfs/dbraw/zinc/69/22/63/388692263.db2.gz XUJBQKHRDROALZ-KFWWJZLASA-N 2 1 238.419 3.122 20 0 BGADMP CCC[C@H](C)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000248738680 388691712 /nfs/dbraw/zinc/69/17/12/388691712.db2.gz XUJBQKHRDROALZ-ZNMIVQPWSA-N 2 1 238.419 3.122 20 0 BGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000248897899 388698454 /nfs/dbraw/zinc/69/84/54/388698454.db2.gz VTQLBKGFXVFBBL-CABCVRRESA-N 2 1 240.435 3.086 20 0 BGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000248897901 388697806 /nfs/dbraw/zinc/69/78/06/388697806.db2.gz VTQLBKGFXVFBBL-GJZGRUSLSA-N 2 1 240.435 3.086 20 0 BGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1(C)CC1 ZINC000248906053 135026694 /nfs/dbraw/zinc/02/66/94/135026694.db2.gz ZZNGQMCOTXPRLY-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000249001392 388703841 /nfs/dbraw/zinc/70/38/41/388703841.db2.gz QSINKWQPOSTQSX-GJZGRUSLSA-N 2 1 248.414 3.110 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000249001392 388703838 /nfs/dbraw/zinc/70/38/38/388703838.db2.gz QSINKWQPOSTQSX-GJZGRUSLSA-N 2 1 248.414 3.110 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000249001396 388703365 /nfs/dbraw/zinc/70/33/65/388703365.db2.gz QSINKWQPOSTQSX-LSDHHAIUSA-N 2 1 248.414 3.110 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000249001396 388703363 /nfs/dbraw/zinc/70/33/63/388703363.db2.gz QSINKWQPOSTQSX-LSDHHAIUSA-N 2 1 248.414 3.110 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC12CCCC2 ZINC000249085845 135032327 /nfs/dbraw/zinc/03/23/27/135032327.db2.gz NERSRXVBLBNFIY-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC12CCCC2 ZINC000249085845 135032324 /nfs/dbraw/zinc/03/23/24/135032324.db2.gz NERSRXVBLBNFIY-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC12CCCC2 ZINC000249085852 135032160 /nfs/dbraw/zinc/03/21/60/135032160.db2.gz NERSRXVBLBNFIY-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCC12CCCC2 ZINC000249085852 135032159 /nfs/dbraw/zinc/03/21/59/135032159.db2.gz NERSRXVBLBNFIY-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000249936783 535590894 /nfs/dbraw/zinc/59/08/94/535590894.db2.gz GHUWRCKCVBUQCH-APIJFGDWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000249936790 535591072 /nfs/dbraw/zinc/59/10/72/535591072.db2.gz GHUWRCKCVBUQCH-LJISPDSOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000249940293 325662895 /nfs/dbraw/zinc/66/28/95/325662895.db2.gz HMARSGQUDJNJSE-BYNSBNAKSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000249941099 537898530 /nfs/dbraw/zinc/89/85/30/537898530.db2.gz HMARSGQUDJNJSE-LXTVHRRPSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000249971864 537901238 /nfs/dbraw/zinc/90/12/38/537901238.db2.gz OZNQAYHMCHIBIU-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000249971869 322870481 /nfs/dbraw/zinc/87/04/81/322870481.db2.gz OZNQAYHMCHIBIU-LJISPDSOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000249971875 322870585 /nfs/dbraw/zinc/87/05/85/322870585.db2.gz OZNQAYHMCHIBIU-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000250006440 644746255 /nfs/dbraw/zinc/74/62/55/644746255.db2.gz PJQCITBOOPTXBG-DZGCQCFKSA-N 2 1 238.419 3.016 20 0 BGADMP CCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000250006445 644745109 /nfs/dbraw/zinc/74/51/09/644745109.db2.gz PJQCITBOOPTXBG-UKRRQHHQSA-N 2 1 238.419 3.016 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000250054929 135048837 /nfs/dbraw/zinc/04/88/37/135048837.db2.gz YFZOQKYOZIZWGE-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000250054933 535591154 /nfs/dbraw/zinc/59/11/54/535591154.db2.gz YFZOQKYOZIZWGE-LJISPDSOSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H]1C)[NH+](C)C ZINC000250378883 388789106 /nfs/dbraw/zinc/78/91/06/388789106.db2.gz DCEYAMCKDDDFLA-SNPRPXQTSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1C)[NH+](C)C ZINC000250378889 259640549 /nfs/dbraw/zinc/64/05/49/259640549.db2.gz DCEYAMCKDDDFLA-YUELXQCFSA-N 2 1 240.435 3.131 20 0 BGADMP CCCCC[C@H](C)[NH2+]CC[N@@H+](C)[C@H](C)CC ZINC000250815064 712834674 /nfs/dbraw/zinc/83/46/74/712834674.db2.gz IXHVIPVEVJFTQV-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCCCC[C@H](C)[NH2+]CC[N@H+](C)[C@H](C)CC ZINC000250815064 712834672 /nfs/dbraw/zinc/83/46/72/712834672.db2.gz IXHVIPVEVJFTQV-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCCCC[C@@H](C)[NH2+]CC[N@@H+](C)[C@H](C)CC ZINC000250815066 712834689 /nfs/dbraw/zinc/83/46/89/712834689.db2.gz IXHVIPVEVJFTQV-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCCCC[C@@H](C)[NH2+]CC[N@H+](C)[C@H](C)CC ZINC000250815066 712834687 /nfs/dbraw/zinc/83/46/87/712834687.db2.gz IXHVIPVEVJFTQV-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250842496 135059639 /nfs/dbraw/zinc/05/96/39/135059639.db2.gz YKZABICNZAKFLU-KKUMJFAQSA-N 2 1 238.419 3.172 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250842499 135059881 /nfs/dbraw/zinc/05/98/81/135059881.db2.gz YKZABICNZAKFLU-ZNMIVQPWSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC(CCC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251115638 135064349 /nfs/dbraw/zinc/06/43/49/135064349.db2.gz HCAAJQCXJJCKEC-CABCVRRESA-N 2 1 238.419 3.172 20 0 BGADMP CCCC(CCC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251115640 135064208 /nfs/dbraw/zinc/06/42/08/135064208.db2.gz HCAAJQCXJJCKEC-GJZGRUSLSA-N 2 1 238.419 3.172 20 0 BGADMP CCC[C@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1CC ZINC000251244041 384913761 /nfs/dbraw/zinc/91/37/61/384913761.db2.gz BARPOKMMLMGBBB-UONOGXRCSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1CC ZINC000251244041 384913750 /nfs/dbraw/zinc/91/37/50/384913750.db2.gz BARPOKMMLMGBBB-UONOGXRCSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1CC ZINC000251244045 384914739 /nfs/dbraw/zinc/91/47/39/384914739.db2.gz BARPOKMMLMGBBB-ZIAGYGMSSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1CC ZINC000251244045 384914733 /nfs/dbraw/zinc/91/47/33/384914733.db2.gz BARPOKMMLMGBBB-ZIAGYGMSSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000251302955 135068085 /nfs/dbraw/zinc/06/80/85/135068085.db2.gz BWPOIKPSWRKOCK-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000251302958 535803694 /nfs/dbraw/zinc/80/36/94/535803694.db2.gz BWPOIKPSWRKOCK-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000251308163 535653848 /nfs/dbraw/zinc/65/38/48/535653848.db2.gz JZODEJOKJWJZAK-UONOGXRCSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000251308168 135067861 /nfs/dbraw/zinc/06/78/61/135067861.db2.gz JZODEJOKJWJZAK-ZIAGYGMSSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251331889 385962382 /nfs/dbraw/zinc/96/23/82/385962382.db2.gz YHDZXJLLGHLYBS-CWRNSKLLSA-N 2 1 246.398 3.197 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251331891 385962574 /nfs/dbraw/zinc/96/25/74/385962574.db2.gz YHDZXJLLGHLYBS-NUEKZKHPSA-N 2 1 246.398 3.197 20 0 BGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000251375968 135071271 /nfs/dbraw/zinc/07/12/71/135071271.db2.gz YDHULUQMXCATQU-HIFRSBDPSA-N 2 1 234.387 3.053 20 0 BGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000251375971 535064776 /nfs/dbraw/zinc/06/47/76/535064776.db2.gz YDHULUQMXCATQU-UKRRQHHQSA-N 2 1 234.387 3.053 20 0 BGADMP CCC[C@H](C)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251379796 644803477 /nfs/dbraw/zinc/80/34/77/644803477.db2.gz VVPSBGCIDKSVBU-AVOUXACISA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@@H](C)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251379799 644802933 /nfs/dbraw/zinc/80/29/33/644802933.db2.gz VVPSBGCIDKSVBU-FFHGMXDLSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251400034 135071764 /nfs/dbraw/zinc/07/17/64/135071764.db2.gz LRFCBOVPHZYMFC-KKUMJFAQSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251400035 135071057 /nfs/dbraw/zinc/07/10/57/135071057.db2.gz LRFCBOVPHZYMFC-ZNMIVQPWSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251403699 388747359 /nfs/dbraw/zinc/74/73/59/388747359.db2.gz VYSPKBVDNFHVJY-KKUMJFAQSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251403700 388747105 /nfs/dbraw/zinc/74/71/05/388747105.db2.gz VYSPKBVDNFHVJY-ZNMIVQPWSA-N 2 1 238.419 3.172 20 0 BGADMP CC[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1[NH3+] ZINC000251523375 487764314 /nfs/dbraw/zinc/76/43/14/487764314.db2.gz ABGJUNXACVIOIW-HUUCEWRRSA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1[NH3+] ZINC000251523388 487764129 /nfs/dbraw/zinc/76/41/29/487764129.db2.gz ABGJUNXACVIOIW-LSDHHAIUSA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+](CC)CC)C1 ZINC000251549744 538047440 /nfs/dbraw/zinc/04/74/40/538047440.db2.gz BBELTWZUBGMYDT-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+](CC)CC)C1 ZINC000251549752 538047095 /nfs/dbraw/zinc/04/70/95/538047095.db2.gz BBELTWZUBGMYDT-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1[NH3+] ZINC000251653959 487780785 /nfs/dbraw/zinc/78/07/85/487780785.db2.gz GQQPMZRWDQMCKL-HUUCEWRRSA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1[NH3+] ZINC000251653961 487781151 /nfs/dbraw/zinc/78/11/51/487781151.db2.gz GQQPMZRWDQMCKL-LSDHHAIUSA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[NH+](CC)CC ZINC000251709619 323512940 /nfs/dbraw/zinc/51/29/40/323512940.db2.gz JLLZRNTZNDBDDS-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C[NH+](CC)CC ZINC000251709620 325680171 /nfs/dbraw/zinc/68/01/71/325680171.db2.gz JLLZRNTZNDBDDS-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251725452 487792895 /nfs/dbraw/zinc/79/28/95/487792895.db2.gz KEHGDZIPFAFCIJ-BMFZPTHFSA-N 2 1 246.398 3.197 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251725454 487792972 /nfs/dbraw/zinc/79/29/72/487792972.db2.gz KEHGDZIPFAFCIJ-FVQBIDKESA-N 2 1 246.398 3.197 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251725456 487793102 /nfs/dbraw/zinc/79/31/02/487793102.db2.gz KEHGDZIPFAFCIJ-VNQPRFMTSA-N 2 1 246.398 3.197 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000251761872 388752917 /nfs/dbraw/zinc/75/29/17/388752917.db2.gz LYACWCXALBGPPD-KBXIAJHMSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000251761872 388752915 /nfs/dbraw/zinc/75/29/15/388752915.db2.gz LYACWCXALBGPPD-KBXIAJHMSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000251761873 388752402 /nfs/dbraw/zinc/75/24/02/388752402.db2.gz LYACWCXALBGPPD-XGUBFFRZSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000251761873 388752397 /nfs/dbraw/zinc/75/23/97/388752397.db2.gz LYACWCXALBGPPD-XGUBFFRZSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000251768768 135076395 /nfs/dbraw/zinc/07/63/95/135076395.db2.gz DYRNDARCHZXUAJ-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000251768770 135076990 /nfs/dbraw/zinc/07/69/90/135076990.db2.gz DYRNDARCHZXUAJ-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)C1 ZINC000251824893 349192227 /nfs/dbraw/zinc/19/22/27/349192227.db2.gz NBTCPFHYXOQTDI-KBUPBQIOSA-N 2 1 238.419 3.014 20 0 BGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)C1 ZINC000251824896 349192366 /nfs/dbraw/zinc/19/23/66/349192366.db2.gz NBTCPFHYXOQTDI-TUVASFSCSA-N 2 1 238.419 3.014 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000251846057 384236940 /nfs/dbraw/zinc/23/69/40/384236940.db2.gz MDXKDFHTAVOQAR-AJNGGQMLSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000251846057 384236935 /nfs/dbraw/zinc/23/69/35/384236935.db2.gz MDXKDFHTAVOQAR-AJNGGQMLSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000251846059 384237819 /nfs/dbraw/zinc/23/78/19/384237819.db2.gz MDXKDFHTAVOQAR-XGUBFFRZSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000251846059 384237816 /nfs/dbraw/zinc/23/78/16/384237816.db2.gz MDXKDFHTAVOQAR-XGUBFFRZSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H]1C[N@H+]([C@H](C)c2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000251873142 487804833 /nfs/dbraw/zinc/80/48/33/487804833.db2.gz UOSUREDUSVHUDV-FMKPAKJESA-N 2 1 246.398 3.115 20 0 BGADMP CC[C@@H]1C[N@H+]([C@H](C)c2cccc(C)c2)CC[C@H]1[NH3+] ZINC000251873143 487804910 /nfs/dbraw/zinc/80/49/10/487804910.db2.gz UOSUREDUSVHUDV-IIAWOOMASA-N 2 1 246.398 3.115 20 0 BGADMP CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)CC[C@H]1[NH3+] ZINC000251873144 487804850 /nfs/dbraw/zinc/80/48/50/487804850.db2.gz UOSUREDUSVHUDV-SQWLQELKSA-N 2 1 246.398 3.115 20 0 BGADMP CC[C@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251933190 644830920 /nfs/dbraw/zinc/83/09/20/644830920.db2.gz ROUUMQGBWXTARC-FIBILERRSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251933192 644830032 /nfs/dbraw/zinc/83/00/32/644830032.db2.gz ROUUMQGBWXTARC-MLQJFRMTSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251933194 644830785 /nfs/dbraw/zinc/83/07/85/644830785.db2.gz ROUUMQGBWXTARC-UUQIVFDPSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251933196 644830092 /nfs/dbraw/zinc/83/00/92/644830092.db2.gz ROUUMQGBWXTARC-WQGXVZNYSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCC(C)C ZINC000251951853 384917697 /nfs/dbraw/zinc/91/76/97/384917697.db2.gz UOAGZSSFONOSRJ-KGLIPLIRSA-N 2 1 228.424 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCC(C)C ZINC000251951853 384917692 /nfs/dbraw/zinc/91/76/92/384917692.db2.gz UOAGZSSFONOSRJ-KGLIPLIRSA-N 2 1 228.424 3.131 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCC(C)C ZINC000251951855 384917338 /nfs/dbraw/zinc/91/73/38/384917338.db2.gz UOAGZSSFONOSRJ-ZIAGYGMSSA-N 2 1 228.424 3.131 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCC(C)C ZINC000251951855 384917325 /nfs/dbraw/zinc/91/73/25/384917325.db2.gz UOAGZSSFONOSRJ-ZIAGYGMSSA-N 2 1 228.424 3.131 20 0 BGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252016164 388760215 /nfs/dbraw/zinc/76/02/15/388760215.db2.gz WQDBRZXAATZFSM-RRFJBIMHSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252016167 388759853 /nfs/dbraw/zinc/75/98/53/388759853.db2.gz WQDBRZXAATZFSM-ZNMIVQPWSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)[N@@H+](CC)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252020171 636765734 /nfs/dbraw/zinc/76/57/34/636765734.db2.gz XGRJOEPVWIWBDY-AVOUXACISA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H](C)[N@@H+](CC)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252020172 644834154 /nfs/dbraw/zinc/83/41/54/644834154.db2.gz XGRJOEPVWIWBDY-FFHGMXDLSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252025434 135082754 /nfs/dbraw/zinc/08/27/54/135082754.db2.gz YENXVINNILMMCE-AJNGGQMLSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252025436 135082456 /nfs/dbraw/zinc/08/24/56/135082456.db2.gz YENXVINNILMMCE-XQLPTFJDSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252025438 135082933 /nfs/dbraw/zinc/08/29/33/135082933.db2.gz YENXVINNILMMCE-ZQDZILKHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252112070 135083717 /nfs/dbraw/zinc/08/37/17/135083717.db2.gz HXGDQNPBNYNXNB-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252112072 135083739 /nfs/dbraw/zinc/08/37/39/135083739.db2.gz HXGDQNPBNYNXNB-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000252185903 135086891 /nfs/dbraw/zinc/08/68/91/135086891.db2.gz UHCPQWVJMMQEBF-MCIONIFRSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(C)(C)C2)CC[N@@H+]1C ZINC000252185903 135086890 /nfs/dbraw/zinc/08/68/90/135086890.db2.gz UHCPQWVJMMQEBF-MCIONIFRSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000252185905 135086653 /nfs/dbraw/zinc/08/66/53/135086653.db2.gz UHCPQWVJMMQEBF-RDBSUJKOSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)CC[N@@H+]1C ZINC000252185905 135086651 /nfs/dbraw/zinc/08/66/51/135086651.db2.gz UHCPQWVJMMQEBF-RDBSUJKOSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000252201767 135086813 /nfs/dbraw/zinc/08/68/13/135086813.db2.gz UFYGBRNPGOHSKN-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000252201768 135086710 /nfs/dbraw/zinc/08/67/10/135086710.db2.gz UFYGBRNPGOHSKN-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@H]1C ZINC000252206777 644841477 /nfs/dbraw/zinc/84/14/77/644841477.db2.gz VHBYYEIAKYFDOR-KBPBESRZSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@H]1C ZINC000252206779 644842069 /nfs/dbraw/zinc/84/20/69/644842069.db2.gz VHBYYEIAKYFDOR-KGLIPLIRSA-N 2 1 226.408 3.016 20 0 BGADMP CC(C)C[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252212257 384918509 /nfs/dbraw/zinc/91/85/09/384918509.db2.gz WROGFJAXGBRGJM-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2C)CC[N@H+]1C ZINC000252217678 538086469 /nfs/dbraw/zinc/08/64/69/538086469.db2.gz YEAHWUDMYBOUHF-BARDWOONSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2C)CC[N@@H+]1C ZINC000252217678 538086464 /nfs/dbraw/zinc/08/64/64/538086464.db2.gz YEAHWUDMYBOUHF-BARDWOONSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@H]2C)CC[N@H+]1C ZINC000252217679 538086551 /nfs/dbraw/zinc/08/65/51/538086551.db2.gz YEAHWUDMYBOUHF-KBXIAJHMSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@H]2C)CC[N@@H+]1C ZINC000252217679 538086549 /nfs/dbraw/zinc/08/65/49/538086549.db2.gz YEAHWUDMYBOUHF-KBXIAJHMSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@H]2C)CC[N@H+]1C ZINC000252217680 538086590 /nfs/dbraw/zinc/08/65/90/538086590.db2.gz YEAHWUDMYBOUHF-QPSCCSFWSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@H]2C)CC[N@@H+]1C ZINC000252217680 538086589 /nfs/dbraw/zinc/08/65/89/538086589.db2.gz YEAHWUDMYBOUHF-QPSCCSFWSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252367710 384921268 /nfs/dbraw/zinc/92/12/68/384921268.db2.gz CJNAJELMBAIAMR-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252367711 384921471 /nfs/dbraw/zinc/92/14/71/384921471.db2.gz CJNAJELMBAIAMR-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@@H](C)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252368800 135087872 /nfs/dbraw/zinc/08/78/72/135087872.db2.gz YCTMYKYMDNQVKA-HUUCEWRRSA-N 2 1 240.435 3.277 20 0 BGADMP CCC[C@H](C)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252368802 135087763 /nfs/dbraw/zinc/08/77/63/135087763.db2.gz YCTMYKYMDNQVKA-LSDHHAIUSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000252368885 384921582 /nfs/dbraw/zinc/92/15/82/384921582.db2.gz ZUTUQHUDBHGKKZ-RRFJBIMHSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000252368886 322872143 /nfs/dbraw/zinc/87/21/43/322872143.db2.gz ZUTUQHUDBHGKKZ-SOUVJXGZSA-N 2 1 240.435 3.131 20 0 BGADMP CCCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413545 644849051 /nfs/dbraw/zinc/84/90/51/644849051.db2.gz DUCJXMGLBBGNHT-HUUCEWRRSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413546 644848855 /nfs/dbraw/zinc/84/88/55/644848855.db2.gz DUCJXMGLBBGNHT-LSDHHAIUSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000252424308 384920381 /nfs/dbraw/zinc/92/03/81/384920381.db2.gz GLWHJHOQCAPWGH-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000252424309 384921026 /nfs/dbraw/zinc/92/10/26/384921026.db2.gz GLWHJHOQCAPWGH-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252426727 384922118 /nfs/dbraw/zinc/92/21/18/384922118.db2.gz VURIRYBKNLMTEH-HUUCEWRRSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252426728 384922000 /nfs/dbraw/zinc/92/20/00/384922000.db2.gz VURIRYBKNLMTEH-LSDHHAIUSA-N 2 1 240.435 3.419 20 0 BGADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000252440323 135088765 /nfs/dbraw/zinc/08/87/65/135088765.db2.gz ZSYZQYGFZPJBKN-RRFJBIMHSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000252440324 135089149 /nfs/dbraw/zinc/08/91/49/135089149.db2.gz ZSYZQYGFZPJBKN-ZNMIVQPWSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252690169 636771287 /nfs/dbraw/zinc/77/12/87/636771287.db2.gz UDGSZBKABDEYLQ-CABCVRRESA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252690170 636771168 /nfs/dbraw/zinc/77/11/68/636771168.db2.gz UDGSZBKABDEYLQ-GJZGRUSLSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000252690224 535063725 /nfs/dbraw/zinc/06/37/25/535063725.db2.gz UICKXNZWIKPIHN-GOEBONIOSA-N 2 1 248.414 3.095 20 0 BGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000252690225 135096776 /nfs/dbraw/zinc/09/67/76/135096776.db2.gz UICKXNZWIKPIHN-HOCLYGCPSA-N 2 1 248.414 3.095 20 0 BGADMP CCCC[C@H](CC)[NH2+]CC[N@@H+](C)[C@H](C)CC ZINC000252709081 385179042 /nfs/dbraw/zinc/17/90/42/385179042.db2.gz BXYFGGAZRFFXFQ-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@H](CC)[NH2+]CC[N@H+](C)[C@H](C)CC ZINC000252709081 385179036 /nfs/dbraw/zinc/17/90/36/385179036.db2.gz BXYFGGAZRFFXFQ-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](CC)[NH2+]CC[N@@H+](C)[C@H](C)CC ZINC000252709082 385182005 /nfs/dbraw/zinc/18/20/05/385182005.db2.gz BXYFGGAZRFFXFQ-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](CC)[NH2+]CC[N@H+](C)[C@H](C)CC ZINC000252709082 385182003 /nfs/dbraw/zinc/18/20/03/385182003.db2.gz BXYFGGAZRFFXFQ-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP C[C@H](CC1CC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252711491 388773293 /nfs/dbraw/zinc/77/32/93/388773293.db2.gz JRDPBLVYJHIHFL-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712553 388772952 /nfs/dbraw/zinc/77/29/52/388772952.db2.gz MSJGABOMNNCGEG-ILXRZTDVSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712554 388773682 /nfs/dbraw/zinc/77/36/82/388773682.db2.gz MSJGABOMNNCGEG-QLFBSQMISA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC ZINC000252712849 388773133 /nfs/dbraw/zinc/77/31/33/388773133.db2.gz NOJLMFSITRGMOA-KGLIPLIRSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC ZINC000252712849 388773128 /nfs/dbraw/zinc/77/31/28/388773128.db2.gz NOJLMFSITRGMOA-KGLIPLIRSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC ZINC000252712850 388773983 /nfs/dbraw/zinc/77/39/83/388773983.db2.gz NOJLMFSITRGMOA-ZIAGYGMSSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC ZINC000252712850 388773981 /nfs/dbraw/zinc/77/39/81/388773981.db2.gz NOJLMFSITRGMOA-ZIAGYGMSSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000252733695 388778585 /nfs/dbraw/zinc/77/85/85/388778585.db2.gz BHWWCEDPPOFFJE-KKUMJFAQSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000252733695 388778581 /nfs/dbraw/zinc/77/85/81/388778581.db2.gz BHWWCEDPPOFFJE-KKUMJFAQSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000252733695 388778577 /nfs/dbraw/zinc/77/85/77/388778577.db2.gz BHWWCEDPPOFFJE-KKUMJFAQSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000252733696 388778602 /nfs/dbraw/zinc/77/86/02/388778602.db2.gz BHWWCEDPPOFFJE-RRFJBIMHSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000252733696 388778598 /nfs/dbraw/zinc/77/85/98/388778598.db2.gz BHWWCEDPPOFFJE-RRFJBIMHSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000252733696 388778596 /nfs/dbraw/zinc/77/85/96/388778596.db2.gz BHWWCEDPPOFFJE-RRFJBIMHSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000252733697 388778518 /nfs/dbraw/zinc/77/85/18/388778518.db2.gz BHWWCEDPPOFFJE-ZNMIVQPWSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000252733697 388778517 /nfs/dbraw/zinc/77/85/17/388778517.db2.gz BHWWCEDPPOFFJE-ZNMIVQPWSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000252733697 388778513 /nfs/dbraw/zinc/77/85/13/388778513.db2.gz BHWWCEDPPOFFJE-ZNMIVQPWSA-N 2 1 240.435 3.085 20 0 BGADMP CC[C@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000252876561 353313193 /nfs/dbraw/zinc/31/31/93/353313193.db2.gz XGSLXKTZHSWZHJ-CABCVRRESA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000252876562 133652140 /nfs/dbraw/zinc/65/21/40/133652140.db2.gz XGSLXKTZHSWZHJ-HUUCEWRRSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253189183 644943762 /nfs/dbraw/zinc/94/37/62/644943762.db2.gz KFKFAUKMKJHFMI-CWRNSKLLSA-N 2 1 246.398 3.054 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253189184 644943905 /nfs/dbraw/zinc/94/39/05/644943905.db2.gz KFKFAUKMKJHFMI-FVQBIDKESA-N 2 1 246.398 3.054 20 0 BGADMP CC[NH+](C/C=C\C[N@H+](CC)C(C)C)C(C)C ZINC000255829254 632742536 /nfs/dbraw/zinc/74/25/36/632742536.db2.gz BABSDNJMHNXKNU-KTKRTIGZSA-N 2 1 226.408 3.003 20 0 BGADMP CC[C@@H](C)[N@H+](C)C/C=C\C[NH+](C)[C@@H](C)CC ZINC000255909731 370618577 /nfs/dbraw/zinc/61/85/77/370618577.db2.gz DEYQXYOGNLPLTE-BXIWVINRSA-N 2 1 226.408 3.003 20 0 BGADMP CC[C@@H](C)[N@@H+](C)C/C=C\C[NH+](C)[C@@H](C)CC ZINC000255909731 370618574 /nfs/dbraw/zinc/61/85/74/370618574.db2.gz DEYQXYOGNLPLTE-BXIWVINRSA-N 2 1 226.408 3.003 20 0 BGADMP CC[C@@H](C)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)CC ZINC000255909731 370618570 /nfs/dbraw/zinc/61/85/70/370618570.db2.gz DEYQXYOGNLPLTE-BXIWVINRSA-N 2 1 226.408 3.003 20 0 BGADMP CC[C@H](C)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)CC ZINC000255909732 370619278 /nfs/dbraw/zinc/61/92/78/370619278.db2.gz DEYQXYOGNLPLTE-YHFBFXLGSA-N 2 1 226.408 3.003 20 0 BGADMP C[N@@H+](Cc1cccc2ccccc21)CC(C)(C)[NH3+] ZINC000258687651 536477546 /nfs/dbraw/zinc/47/75/46/536477546.db2.gz BFXWMAFANVVLMM-UHFFFAOYSA-N 2 1 242.366 3.009 20 0 BGADMP C[N@H+](Cc1cccc2ccccc21)CC(C)(C)[NH3+] ZINC000258687651 536477543 /nfs/dbraw/zinc/47/75/43/536477543.db2.gz BFXWMAFANVVLMM-UHFFFAOYSA-N 2 1 242.366 3.009 20 0 BGADMP C[N@@H+](Cc1ccc2ccccc2c1)CC(C)(C)[NH3+] ZINC000258909375 536473774 /nfs/dbraw/zinc/47/37/74/536473774.db2.gz SOHLPYXADNDSGD-UHFFFAOYSA-N 2 1 242.366 3.009 20 0 BGADMP C[N@H+](Cc1ccc2ccccc2c1)CC(C)(C)[NH3+] ZINC000258909375 536473773 /nfs/dbraw/zinc/47/37/73/536473773.db2.gz SOHLPYXADNDSGD-UHFFFAOYSA-N 2 1 242.366 3.009 20 0 BGADMP CC(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000258912962 384946238 /nfs/dbraw/zinc/94/62/38/384946238.db2.gz ILETYJBZKXOIKG-HZPDHXFCSA-N 2 1 246.398 3.170 20 0 BGADMP CC(C)c1ccc(CC[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258938110 488143002 /nfs/dbraw/zinc/14/30/02/488143002.db2.gz VZEYAHHKSDLRMJ-UHFFFAOYSA-N 2 1 248.414 3.022 20 0 BGADMP CC(C)c1ccc(CC[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258938110 488142998 /nfs/dbraw/zinc/14/29/98/488142998.db2.gz VZEYAHHKSDLRMJ-UHFFFAOYSA-N 2 1 248.414 3.022 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000259152575 384962693 /nfs/dbraw/zinc/96/26/93/384962693.db2.gz FKOIXHUPHNDRAI-CABCVRRESA-N 2 1 246.398 3.069 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000259152579 384964017 /nfs/dbraw/zinc/96/40/17/384964017.db2.gz FKOIXHUPHNDRAI-GJZGRUSLSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000259152582 384962035 /nfs/dbraw/zinc/96/20/35/384962035.db2.gz FKOIXHUPHNDRAI-HUUCEWRRSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000259152585 384962529 /nfs/dbraw/zinc/96/25/29/384962529.db2.gz FKOIXHUPHNDRAI-LSDHHAIUSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000259419305 135142674 /nfs/dbraw/zinc/14/26/74/135142674.db2.gz ZHWQDTMCVKPFHN-AWEZNQCLSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000259419311 135142646 /nfs/dbraw/zinc/14/26/46/135142646.db2.gz ZHWQDTMCVKPFHN-CQSZACIVSA-N 2 1 246.398 3.069 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261539654 135178718 /nfs/dbraw/zinc/17/87/18/135178718.db2.gz AUAFEBRNXYTPNB-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261539656 135178688 /nfs/dbraw/zinc/17/86/88/135178688.db2.gz AUAFEBRNXYTPNB-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261539658 135178814 /nfs/dbraw/zinc/17/88/14/135178814.db2.gz AUAFEBRNXYTPNB-SOUVJXGZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](CCC1CCCC1)C1CC[NH2+]CC1 ZINC000261540360 535328261 /nfs/dbraw/zinc/32/82/61/535328261.db2.gz AAWMYRYQQOGKSW-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261542812 535409548 /nfs/dbraw/zinc/40/95/48/535409548.db2.gz QDVDEAQRLYFYQT-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261542813 535410531 /nfs/dbraw/zinc/41/05/31/535410531.db2.gz QDVDEAQRLYFYQT-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261542814 535410444 /nfs/dbraw/zinc/41/04/44/535410444.db2.gz QDVDEAQRLYFYQT-SOUVJXGZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CCCCC1 ZINC000261544180 135185264 /nfs/dbraw/zinc/18/52/64/135185264.db2.gz XMOBXFTYHGNSEZ-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CCCCC1 ZINC000261544181 535772967 /nfs/dbraw/zinc/77/29/67/535772967.db2.gz XMOBXFTYHGNSEZ-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000261546978 135239132 /nfs/dbraw/zinc/23/91/32/135239132.db2.gz HPBYGPJQCVYEAF-AGIUHOORSA-N 2 1 234.387 3.196 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000261546979 135239414 /nfs/dbraw/zinc/23/94/14/135239414.db2.gz HPBYGPJQCVYEAF-AVGNSLFASA-N 2 1 234.387 3.196 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000261546980 135239332 /nfs/dbraw/zinc/23/93/32/135239332.db2.gz HPBYGPJQCVYEAF-UPJWGTAASA-N 2 1 234.387 3.196 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000261546981 135239450 /nfs/dbraw/zinc/23/94/50/135239450.db2.gz HPBYGPJQCVYEAF-XQQFMLRXSA-N 2 1 234.387 3.196 20 0 BGADMP CC(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000261548923 135187379 /nfs/dbraw/zinc/18/73/79/135187379.db2.gz JZFLPNZEHXDOCQ-GFCCVEGCSA-N 2 1 234.387 3.198 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000261548925 135187471 /nfs/dbraw/zinc/18/74/71/135187471.db2.gz JZFLPNZEHXDOCQ-LBPRGKRZSA-N 2 1 234.387 3.198 20 0 BGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000261551977 179178464 /nfs/dbraw/zinc/17/84/64/179178464.db2.gz GHABTGTYFDEESD-CABCVRRESA-N 2 1 246.398 3.117 20 0 BGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000261551980 179193637 /nfs/dbraw/zinc/19/36/37/179193637.db2.gz GHABTGTYFDEESD-GJZGRUSLSA-N 2 1 246.398 3.117 20 0 BGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000261552054 135191047 /nfs/dbraw/zinc/19/10/47/135191047.db2.gz MCOGVTWWJAAHJT-DZKIICNBSA-N 2 1 246.398 3.115 20 0 BGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000261552057 135191444 /nfs/dbraw/zinc/19/14/44/135191444.db2.gz MCOGVTWWJAAHJT-IJEWVQPXSA-N 2 1 246.398 3.115 20 0 BGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000261552060 135191519 /nfs/dbraw/zinc/19/15/19/135191519.db2.gz MCOGVTWWJAAHJT-OFQRWUPVSA-N 2 1 246.398 3.115 20 0 BGADMP CC(C)Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000261557379 135197780 /nfs/dbraw/zinc/19/77/80/135197780.db2.gz CORHZQOJHXEYQY-CYBMUJFWSA-N 2 1 248.414 3.273 20 0 BGADMP CC(C)Cc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000261557380 535338202 /nfs/dbraw/zinc/33/82/02/535338202.db2.gz CORHZQOJHXEYQY-ZDUSSCGKSA-N 2 1 248.414 3.273 20 0 BGADMP CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000261561625 535338099 /nfs/dbraw/zinc/33/80/99/535338099.db2.gz GAPJPKXAYSIWJS-IHRRRGAJSA-N 2 1 248.414 3.271 20 0 BGADMP CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000261561626 135202818 /nfs/dbraw/zinc/20/28/18/135202818.db2.gz GAPJPKXAYSIWJS-MCIONIFRSA-N 2 1 248.414 3.271 20 0 BGADMP CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000261561627 135202918 /nfs/dbraw/zinc/20/29/18/135202918.db2.gz GAPJPKXAYSIWJS-MJBXVCDLSA-N 2 1 248.414 3.271 20 0 BGADMP CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000261561628 535338712 /nfs/dbraw/zinc/33/87/12/535338712.db2.gz GAPJPKXAYSIWJS-RDBSUJKOSA-N 2 1 248.414 3.271 20 0 BGADMP CC(C)(C)[NH2+]CC[N@H+]1CCC2(C1)CCCCC2 ZINC000261562073 135203906 /nfs/dbraw/zinc/20/39/06/135203906.db2.gz VZIIHTUYCKKARV-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000261562073 135203905 /nfs/dbraw/zinc/20/39/05/135203905.db2.gz VZIIHTUYCKKARV-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cccc(Cl)c1 ZINC000261562828 135204291 /nfs/dbraw/zinc/20/42/91/135204291.db2.gz BPZOJHZHBYCMHK-BREBYQMCSA-N 2 1 240.778 3.116 20 0 BGADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000261562829 135204470 /nfs/dbraw/zinc/20/44/70/135204470.db2.gz BPZOJHZHBYCMHK-CWSCBRNRSA-N 2 1 240.778 3.116 20 0 BGADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000261562830 135204033 /nfs/dbraw/zinc/20/40/33/135204033.db2.gz BPZOJHZHBYCMHK-KWBADKCTSA-N 2 1 240.778 3.116 20 0 BGADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cccc(Cl)c1 ZINC000261562831 135204570 /nfs/dbraw/zinc/20/45/70/135204570.db2.gz BPZOJHZHBYCMHK-NRUUGDAUSA-N 2 1 240.778 3.116 20 0 BGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261573260 135214690 /nfs/dbraw/zinc/21/46/90/135214690.db2.gz MCRDPMXCIFOISL-AGIUHOORSA-N 2 1 248.414 3.370 20 0 BGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261573261 135214649 /nfs/dbraw/zinc/21/46/49/135214649.db2.gz MCRDPMXCIFOISL-AVGNSLFASA-N 2 1 248.414 3.370 20 0 BGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261573262 135214621 /nfs/dbraw/zinc/21/46/21/135214621.db2.gz MCRDPMXCIFOISL-UPJWGTAASA-N 2 1 248.414 3.370 20 0 BGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[C@H](C)[NH3+] ZINC000261573263 135215282 /nfs/dbraw/zinc/21/52/82/135215282.db2.gz MCRDPMXCIFOISL-XQQFMLRXSA-N 2 1 248.414 3.370 20 0 BGADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000261573816 535802953 /nfs/dbraw/zinc/80/29/53/535802953.db2.gz IZOKIABHKVACPS-GFCCVEGCSA-N 2 1 240.778 3.118 20 0 BGADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000261573818 135215880 /nfs/dbraw/zinc/21/58/80/135215880.db2.gz IZOKIABHKVACPS-LBPRGKRZSA-N 2 1 240.778 3.118 20 0 BGADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(Cl)c1 ZINC000261574152 535802982 /nfs/dbraw/zinc/80/29/82/535802982.db2.gz JDOHJHKJAZIRPC-GFCCVEGCSA-N 2 1 240.778 3.118 20 0 BGADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(Cl)c1 ZINC000261574153 135215992 /nfs/dbraw/zinc/21/59/92/135215992.db2.gz JDOHJHKJAZIRPC-LBPRGKRZSA-N 2 1 240.778 3.118 20 0 BGADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000261577045 135218815 /nfs/dbraw/zinc/21/88/15/135218815.db2.gz KVIHUHDOWUQYRX-BREBYQMCSA-N 2 1 240.778 3.116 20 0 BGADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000261577046 135218229 /nfs/dbraw/zinc/21/82/29/135218229.db2.gz KVIHUHDOWUQYRX-CWSCBRNRSA-N 2 1 240.778 3.116 20 0 BGADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000261577047 135218571 /nfs/dbraw/zinc/21/85/71/135218571.db2.gz KVIHUHDOWUQYRX-KWBADKCTSA-N 2 1 240.778 3.116 20 0 BGADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000261577048 135218768 /nfs/dbraw/zinc/21/87/68/135218768.db2.gz KVIHUHDOWUQYRX-NRUUGDAUSA-N 2 1 240.778 3.116 20 0 BGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000261592501 135232485 /nfs/dbraw/zinc/23/24/85/135232485.db2.gz YNAQHBHVPOBMAV-GFCCVEGCSA-N 2 1 248.414 3.372 20 0 BGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000261592502 135232520 /nfs/dbraw/zinc/23/25/20/135232520.db2.gz YNAQHBHVPOBMAV-LBPRGKRZSA-N 2 1 248.414 3.372 20 0 BGADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CCCCCCC1 ZINC000261687698 135246073 /nfs/dbraw/zinc/24/60/73/135246073.db2.gz ATIRDLXGNKGGTC-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CCCCCCC1 ZINC000261687700 135245887 /nfs/dbraw/zinc/24/58/87/135245887.db2.gz ATIRDLXGNKGGTC-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@@H+](CCN)[C@H](C)c1cc2ccccc2o1 ZINC000263072422 135330980 /nfs/dbraw/zinc/33/09/80/135330980.db2.gz WSONJAYGNGEZCA-GFCCVEGCSA-N 2 1 246.354 3.165 20 0 BGADMP CCC[N@H+](CCN)[C@H](C)c1cc2ccccc2o1 ZINC000263072422 135330978 /nfs/dbraw/zinc/33/09/78/135330978.db2.gz WSONJAYGNGEZCA-GFCCVEGCSA-N 2 1 246.354 3.165 20 0 BGADMP CCC[N@@H+](CCN)[C@@H](C)c1cc2ccccc2o1 ZINC000263072423 135331517 /nfs/dbraw/zinc/33/15/17/135331517.db2.gz WSONJAYGNGEZCA-LBPRGKRZSA-N 2 1 246.354 3.165 20 0 BGADMP CCC[N@H+](CCN)[C@@H](C)c1cc2ccccc2o1 ZINC000263072423 135331516 /nfs/dbraw/zinc/33/15/16/135331516.db2.gz WSONJAYGNGEZCA-LBPRGKRZSA-N 2 1 246.354 3.165 20 0 BGADMP CCCC[NH+]1CCC(Nc2cc(C)cc[nH+]2)CC1 ZINC000268286102 386640166 /nfs/dbraw/zinc/64/01/66/386640166.db2.gz CIQCOSSZOBRGAJ-UHFFFAOYSA-N 2 1 247.386 3.066 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268869869 187334088 /nfs/dbraw/zinc/33/40/88/187334088.db2.gz ORDLZEMZSUZSHX-AWEZNQCLSA-N 2 1 249.402 3.306 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268869870 386709260 /nfs/dbraw/zinc/70/92/60/386709260.db2.gz ORDLZEMZSUZSHX-CQSZACIVSA-N 2 1 249.402 3.306 20 0 BGADMP CC1=CC[NH+](CCCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000270111294 168110550 /nfs/dbraw/zinc/11/05/50/168110550.db2.gz DELAPZYOKZQURA-UHFFFAOYSA-N 2 1 248.414 3.071 20 0 BGADMP CC1=CC[NH+](CC[C@H](C)[N@@H+]2CC=C(C)CC2)CC1 ZINC000270375308 538922276 /nfs/dbraw/zinc/92/22/76/538922276.db2.gz VCPDJQJMXHFVNC-INIZCTEOSA-N 2 1 248.414 3.069 20 0 BGADMP CC1=CC[NH+](CC[C@H](C)[N@H+]2CC=C(C)CC2)CC1 ZINC000270375308 538922275 /nfs/dbraw/zinc/92/22/75/538922275.db2.gz VCPDJQJMXHFVNC-INIZCTEOSA-N 2 1 248.414 3.069 20 0 BGADMP CC1=CC[NH+]([C@@H](C)CC[N@@H+]2CC=C(C)CC2)CC1 ZINC000270375308 538922273 /nfs/dbraw/zinc/92/22/73/538922273.db2.gz VCPDJQJMXHFVNC-INIZCTEOSA-N 2 1 248.414 3.069 20 0 BGADMP CC1=CC[NH+](CC[C@@H](C)[N@@H+]2CC=C(C)CC2)CC1 ZINC000270375311 538922316 /nfs/dbraw/zinc/92/23/16/538922316.db2.gz VCPDJQJMXHFVNC-MRXNPFEDSA-N 2 1 248.414 3.069 20 0 BGADMP CC1=CC[NH+](CC[C@@H](C)[N@H+]2CC=C(C)CC2)CC1 ZINC000270375311 538922314 /nfs/dbraw/zinc/92/23/14/538922314.db2.gz VCPDJQJMXHFVNC-MRXNPFEDSA-N 2 1 248.414 3.069 20 0 BGADMP CC1=CC[NH+]([C@H](C)CC[N@@H+]2CC=C(C)CC2)CC1 ZINC000270375311 538922312 /nfs/dbraw/zinc/92/23/12/538922312.db2.gz VCPDJQJMXHFVNC-MRXNPFEDSA-N 2 1 248.414 3.069 20 0 BGADMP C[NH+](C)C(C)(C)CNc1cc[nH+]c2ccsc21 ZINC000277125123 172397509 /nfs/dbraw/zinc/39/75/09/172397509.db2.gz OWMUIGWCDBHWAJ-UHFFFAOYSA-N 2 1 249.383 3.048 20 0 BGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277264146 177039362 /nfs/dbraw/zinc/03/93/62/177039362.db2.gz RDXFPDJLBFKHPC-GDBMZVCRSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277264149 176021655 /nfs/dbraw/zinc/02/16/55/176021655.db2.gz RDXFPDJLBFKHPC-GOEBONIOSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277264153 176022156 /nfs/dbraw/zinc/02/21/56/176022156.db2.gz RDXFPDJLBFKHPC-HOCLYGCPSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277264155 177038460 /nfs/dbraw/zinc/03/84/60/177038460.db2.gz RDXFPDJLBFKHPC-ZBFHGGJFSA-N 2 1 246.398 3.164 20 0 BGADMP CCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278580507 398038663 /nfs/dbraw/zinc/03/86/63/398038663.db2.gz KBSBWAHDKFUCEH-UHFFFAOYSA-N 2 1 248.370 3.033 20 0 BGADMP CC1=CCC[NH+](CC[C@H](C)[N@H+]2CCC=C(C)C2)C1 ZINC000280882393 538938493 /nfs/dbraw/zinc/93/84/93/538938493.db2.gz PGWFQZMTFPPDEA-INIZCTEOSA-N 2 1 248.414 3.069 20 0 BGADMP CC1=CCC[NH+](CC[C@H](C)[N@@H+]2CCC=C(C)C2)C1 ZINC000280882393 538938491 /nfs/dbraw/zinc/93/84/91/538938491.db2.gz PGWFQZMTFPPDEA-INIZCTEOSA-N 2 1 248.414 3.069 20 0 BGADMP CC1=CCC[NH+]([C@@H](C)CC[N@H+]2CCC=C(C)C2)C1 ZINC000280882393 538938490 /nfs/dbraw/zinc/93/84/90/538938490.db2.gz PGWFQZMTFPPDEA-INIZCTEOSA-N 2 1 248.414 3.069 20 0 BGADMP CC1=CCC[NH+](CC[C@@H](C)[N@H+]2CCC=C(C)C2)C1 ZINC000280882397 538938404 /nfs/dbraw/zinc/93/84/04/538938404.db2.gz PGWFQZMTFPPDEA-MRXNPFEDSA-N 2 1 248.414 3.069 20 0 BGADMP CC1=CCC[NH+](CC[C@@H](C)[N@@H+]2CCC=C(C)C2)C1 ZINC000280882397 538938402 /nfs/dbraw/zinc/93/84/02/538938402.db2.gz PGWFQZMTFPPDEA-MRXNPFEDSA-N 2 1 248.414 3.069 20 0 BGADMP CC1=CCC[NH+]([C@H](C)CC[N@H+]2CCC=C(C)C2)C1 ZINC000280882397 538938400 /nfs/dbraw/zinc/93/84/00/538938400.db2.gz PGWFQZMTFPPDEA-MRXNPFEDSA-N 2 1 248.414 3.069 20 0 BGADMP CC1=CCC[NH+](CCCC[N@@H+]2CCC=C(C)C2)C1 ZINC000280932862 168098319 /nfs/dbraw/zinc/09/83/19/168098319.db2.gz VGCDKCNZRQHUJC-UHFFFAOYSA-N 2 1 248.414 3.071 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC=C(C)CC1 ZINC000283982002 168120487 /nfs/dbraw/zinc/12/04/87/168120487.db2.gz GZOOIMDMNLZPLL-HNNXBMFYSA-N 2 1 247.386 3.060 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC=C(C)CC1 ZINC000283982005 168117534 /nfs/dbraw/zinc/11/75/34/168117534.db2.gz GZOOIMDMNLZPLL-OAHLLOKOSA-N 2 1 247.386 3.060 20 0 BGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000285858067 387289558 /nfs/dbraw/zinc/28/95/58/387289558.db2.gz YFVJWYCCZVKXCR-INIZCTEOSA-N 2 1 246.398 3.130 20 0 BGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000285858069 387289676 /nfs/dbraw/zinc/28/96/76/387289676.db2.gz YFVJWYCCZVKXCR-MRXNPFEDSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1ccncc1CCC[N@H+](C)C1CCCC1 ZINC000289163270 386269741 /nfs/dbraw/zinc/26/97/41/386269741.db2.gz RGCBEGWRZMXUOO-UHFFFAOYSA-N 2 1 232.371 3.197 20 0 BGADMP Cc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cs1 ZINC000294290793 178230834 /nfs/dbraw/zinc/23/08/34/178230834.db2.gz UDTGFIICOHWGJO-CMPLNLGQSA-N 2 1 240.416 3.047 20 0 BGADMP Cc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cs1 ZINC000294290799 178251986 /nfs/dbraw/zinc/25/19/86/178251986.db2.gz UDTGFIICOHWGJO-JQWIXIFHSA-N 2 1 240.416 3.047 20 0 BGADMP Cc1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cs1 ZINC000294290802 178255097 /nfs/dbraw/zinc/25/50/97/178255097.db2.gz UDTGFIICOHWGJO-PWSUYJOCSA-N 2 1 240.416 3.047 20 0 BGADMP Cc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cs1 ZINC000294290806 178232584 /nfs/dbraw/zinc/23/25/84/178232584.db2.gz UDTGFIICOHWGJO-ZYHUDNBSSA-N 2 1 240.416 3.047 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300137818 528179406 /nfs/dbraw/zinc/17/94/06/528179406.db2.gz MHQKGYZBQSZQOV-HZSPNIEDSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300137820 528179772 /nfs/dbraw/zinc/17/97/72/528179772.db2.gz MHQKGYZBQSZQOV-RDBSUJKOSA-N 2 1 240.435 3.131 20 0 BGADMP CCCCC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000300142407 323366655 /nfs/dbraw/zinc/36/66/55/323366655.db2.gz PVTIAAZEVKPCAJ-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CCCCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000300142408 387801322 /nfs/dbraw/zinc/80/13/22/387801322.db2.gz PVTIAAZEVKPCAJ-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)C[N@@H+](CC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300142851 387801511 /nfs/dbraw/zinc/80/15/11/387801511.db2.gz QPVOPKITXHZJRZ-HIFRSBDPSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)C[N@@H+](CC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300142852 387801585 /nfs/dbraw/zinc/80/15/85/387801585.db2.gz QPVOPKITXHZJRZ-UKRRQHHQSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000300404578 529343848 /nfs/dbraw/zinc/34/38/48/529343848.db2.gz DZVPFEOPGBUECY-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000300404578 529343846 /nfs/dbraw/zinc/34/38/46/529343846.db2.gz DZVPFEOPGBUECY-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000300404579 529690854 /nfs/dbraw/zinc/69/08/54/529690854.db2.gz DZVPFEOPGBUECY-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000300404579 529690850 /nfs/dbraw/zinc/69/08/50/529690850.db2.gz DZVPFEOPGBUECY-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CCCCC1 ZINC000300404876 529690293 /nfs/dbraw/zinc/69/02/93/529690293.db2.gz DKYIXALRLLWALY-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CCCCC1 ZINC000300404876 529690290 /nfs/dbraw/zinc/69/02/90/529690290.db2.gz DKYIXALRLLWALY-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CCCCC1 ZINC000300404877 529343656 /nfs/dbraw/zinc/34/36/56/529343656.db2.gz DKYIXALRLLWALY-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CCCCC1 ZINC000300404877 529343655 /nfs/dbraw/zinc/34/36/55/529343655.db2.gz DKYIXALRLLWALY-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000300408031 529690463 /nfs/dbraw/zinc/69/04/63/529690463.db2.gz CLUUTBVONKSQBC-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000300408031 529690462 /nfs/dbraw/zinc/69/04/62/529690462.db2.gz CLUUTBVONKSQBC-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000300408032 529343676 /nfs/dbraw/zinc/34/36/76/529343676.db2.gz CLUUTBVONKSQBC-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000300408032 529343675 /nfs/dbraw/zinc/34/36/75/529343675.db2.gz CLUUTBVONKSQBC-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000300409273 387520500 /nfs/dbraw/zinc/52/05/00/387520500.db2.gz SWNRSPQJRMCYRQ-FICVDOATSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000300409274 188254377 /nfs/dbraw/zinc/25/43/77/188254377.db2.gz SWNRSPQJRMCYRQ-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000300409373 387520337 /nfs/dbraw/zinc/52/03/37/387520337.db2.gz ZCTQBADBTDWZPO-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000300409373 387520334 /nfs/dbraw/zinc/52/03/34/387520334.db2.gz ZCTQBADBTDWZPO-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000300409374 171307073 /nfs/dbraw/zinc/30/70/73/171307073.db2.gz ZCTQBADBTDWZPO-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000300409374 171307070 /nfs/dbraw/zinc/30/70/70/171307070.db2.gz ZCTQBADBTDWZPO-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000300409375 171308370 /nfs/dbraw/zinc/30/83/70/171308370.db2.gz ZCTQBADBTDWZPO-LJISPDSOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000300409375 171308369 /nfs/dbraw/zinc/30/83/69/171308369.db2.gz ZCTQBADBTDWZPO-LJISPDSOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000300409376 171306639 /nfs/dbraw/zinc/30/66/39/171306639.db2.gz ZCTQBADBTDWZPO-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000300409376 171306638 /nfs/dbraw/zinc/30/66/38/171306638.db2.gz ZCTQBADBTDWZPO-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000300410681 529343884 /nfs/dbraw/zinc/34/38/84/529343884.db2.gz JNKDQRMITYMGLG-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000300410681 529343880 /nfs/dbraw/zinc/34/38/80/529343880.db2.gz JNKDQRMITYMGLG-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000300410682 529690307 /nfs/dbraw/zinc/69/03/07/529690307.db2.gz JNKDQRMITYMGLG-LJISPDSOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000300410682 529690306 /nfs/dbraw/zinc/69/03/06/529690306.db2.gz JNKDQRMITYMGLG-LJISPDSOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000300410683 529689688 /nfs/dbraw/zinc/68/96/88/529689688.db2.gz JNKDQRMITYMGLG-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000300410683 529689687 /nfs/dbraw/zinc/68/96/87/529689687.db2.gz JNKDQRMITYMGLG-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000300411772 387206887 /nfs/dbraw/zinc/20/68/87/387206887.db2.gz PYIIBGTZNNLQMQ-FICVDOATSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000300411773 187222710 /nfs/dbraw/zinc/22/27/10/187222710.db2.gz PYIIBGTZNNLQMQ-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000300411902 387207334 /nfs/dbraw/zinc/20/73/34/387207334.db2.gz BYFOUTBLWWARAE-LSDHHAIUSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000300412828 487591254 /nfs/dbraw/zinc/59/12/54/487591254.db2.gz WGOMEYNRSMLWFO-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000300412828 487591247 /nfs/dbraw/zinc/59/12/47/487591247.db2.gz WGOMEYNRSMLWFO-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000300412829 487591280 /nfs/dbraw/zinc/59/12/80/487591280.db2.gz WGOMEYNRSMLWFO-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000300412829 487591270 /nfs/dbraw/zinc/59/12/70/487591270.db2.gz WGOMEYNRSMLWFO-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@H](CC)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000300414305 528105369 /nfs/dbraw/zinc/10/53/69/528105369.db2.gz JRNXJDIOLBSRBV-CABCVRRESA-N 2 1 240.435 3.419 20 0 BGADMP CCC[C@@H](CC)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000300414306 528923318 /nfs/dbraw/zinc/92/33/18/528923318.db2.gz JRNXJDIOLBSRBV-HUUCEWRRSA-N 2 1 240.435 3.419 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1CC ZINC000300415986 529343687 /nfs/dbraw/zinc/34/36/87/529343687.db2.gz BPAZWDFWQIFLED-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1CC ZINC000300415986 529343684 /nfs/dbraw/zinc/34/36/84/529343684.db2.gz BPAZWDFWQIFLED-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000300415987 529344050 /nfs/dbraw/zinc/34/40/50/529344050.db2.gz BPAZWDFWQIFLED-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000300415987 529344048 /nfs/dbraw/zinc/34/40/48/529344048.db2.gz BPAZWDFWQIFLED-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000300415988 529690536 /nfs/dbraw/zinc/69/05/36/529690536.db2.gz BPAZWDFWQIFLED-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000300415988 529690535 /nfs/dbraw/zinc/69/05/35/529690535.db2.gz BPAZWDFWQIFLED-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1CC ZINC000300415989 529690839 /nfs/dbraw/zinc/69/08/39/529690839.db2.gz BPAZWDFWQIFLED-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1CC ZINC000300415989 529690837 /nfs/dbraw/zinc/69/08/37/529690837.db2.gz BPAZWDFWQIFLED-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000300418017 529690185 /nfs/dbraw/zinc/69/01/85/529690185.db2.gz DIFWJIRPXJMLFG-BYNSBNAKSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000300418017 529690182 /nfs/dbraw/zinc/69/01/82/529690182.db2.gz DIFWJIRPXJMLFG-BYNSBNAKSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000300418018 529690453 /nfs/dbraw/zinc/69/04/53/529690453.db2.gz DIFWJIRPXJMLFG-LXTVHRRPSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000300418018 529690452 /nfs/dbraw/zinc/69/04/52/529690452.db2.gz DIFWJIRPXJMLFG-LXTVHRRPSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000300418019 529690333 /nfs/dbraw/zinc/69/03/33/529690333.db2.gz DIFWJIRPXJMLFG-ZQDZILKHSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000300418019 529690331 /nfs/dbraw/zinc/69/03/31/529690331.db2.gz DIFWJIRPXJMLFG-ZQDZILKHSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000300418603 387207670 /nfs/dbraw/zinc/20/76/70/387207670.db2.gz XFCONBUHJORFOI-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000300418604 387208171 /nfs/dbraw/zinc/20/81/71/387208171.db2.gz XFCONBUHJORFOI-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000300419446 171308510 /nfs/dbraw/zinc/30/85/10/171308510.db2.gz WSJDZFHCBSMNMA-APIJFGDWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000300419446 171308509 /nfs/dbraw/zinc/30/85/09/171308509.db2.gz WSJDZFHCBSMNMA-APIJFGDWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000300419447 171308826 /nfs/dbraw/zinc/30/88/26/171308826.db2.gz WSJDZFHCBSMNMA-LJISPDSOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000300419447 171308824 /nfs/dbraw/zinc/30/88/24/171308824.db2.gz WSJDZFHCBSMNMA-LJISPDSOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000300419448 171308003 /nfs/dbraw/zinc/30/80/03/171308003.db2.gz WSJDZFHCBSMNMA-ZQDZILKHSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000300419448 171308001 /nfs/dbraw/zinc/30/80/01/171308001.db2.gz WSJDZFHCBSMNMA-ZQDZILKHSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000300419451 187385168 /nfs/dbraw/zinc/38/51/68/187385168.db2.gz WTYOSWLPCHXGQZ-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000300419452 188075402 /nfs/dbraw/zinc/07/54/02/188075402.db2.gz WTYOSWLPCHXGQZ-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300425454 387520466 /nfs/dbraw/zinc/52/04/66/387520466.db2.gz YVRJTABCEYVLIL-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300425455 387520541 /nfs/dbraw/zinc/52/05/41/387520541.db2.gz YVRJTABCEYVLIL-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300425493 529690176 /nfs/dbraw/zinc/69/01/76/529690176.db2.gz ZLZQFUBDPHZNPR-HZSPNIEDSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300425493 529690173 /nfs/dbraw/zinc/69/01/73/529690173.db2.gz ZLZQFUBDPHZNPR-HZSPNIEDSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000300425494 529690698 /nfs/dbraw/zinc/69/06/98/529690698.db2.gz ZLZQFUBDPHZNPR-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000300425494 529690696 /nfs/dbraw/zinc/69/06/96/529690696.db2.gz ZLZQFUBDPHZNPR-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300425495 398344671 /nfs/dbraw/zinc/34/46/71/398344671.db2.gz ZLZQFUBDPHZNPR-RDBSUJKOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300425495 398344670 /nfs/dbraw/zinc/34/46/70/398344670.db2.gz ZLZQFUBDPHZNPR-RDBSUJKOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](CC)CCN ZINC000300802954 388396008 /nfs/dbraw/zinc/39/60/08/388396008.db2.gz JJZNFNITDZMEMK-CYBMUJFWSA-N 2 1 240.778 3.072 20 0 BGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)CCN ZINC000300802956 388395886 /nfs/dbraw/zinc/39/58/86/388395886.db2.gz JJZNFNITDZMEMK-ZDUSSCGKSA-N 2 1 240.778 3.072 20 0 BGADMP C[N@@H+](CCCC(C)(C)C)C1CCC([NH3+])CC1 ZINC000300863417 592523179 /nfs/dbraw/zinc/52/31/79/592523179.db2.gz OGFWRMWJPZBXFG-UHFFFAOYSA-N 2 1 226.408 3.014 20 0 BGADMP CCCC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000301276752 386830178 /nfs/dbraw/zinc/83/01/78/386830178.db2.gz JAGLWBVHWITWKC-UHFFFAOYSA-N 2 1 247.386 3.066 20 0 BGADMP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]c2ccsc21 ZINC000301351431 386837396 /nfs/dbraw/zinc/83/73/96/386837396.db2.gz IYLOOBQFCZDUDW-JTQLQIEISA-N 2 1 249.383 3.048 20 0 BGADMP C[C@H](CC[NH+](C)C)Nc1cc[nH+]c2ccsc21 ZINC000301351432 386835989 /nfs/dbraw/zinc/83/59/89/386835989.db2.gz IYLOOBQFCZDUDW-SNVBAGLBSA-N 2 1 249.383 3.048 20 0 BGADMP CC(C)[N@@H+](C)CCNc1cc[nH+]c2ccsc21 ZINC000301526406 187371698 /nfs/dbraw/zinc/37/16/98/187371698.db2.gz GDLWVJBUKYUVDI-UHFFFAOYSA-N 2 1 249.383 3.048 20 0 BGADMP CC(C)[N@H+](C)CCNc1cc[nH+]c2ccsc21 ZINC000301526406 187371697 /nfs/dbraw/zinc/37/16/97/187371697.db2.gz GDLWVJBUKYUVDI-UHFFFAOYSA-N 2 1 249.383 3.048 20 0 BGADMP CC[NH+](CC)CCNc1cc[nH+]c2ccsc21 ZINC000301733464 386670964 /nfs/dbraw/zinc/67/09/64/386670964.db2.gz UEESGLBPGIJJIE-UHFFFAOYSA-N 2 1 249.383 3.050 20 0 BGADMP CCC[N@@H+](C[C@@H](C)CC(C)C)C1CC[NH2+]CC1 ZINC000302252477 169171516 /nfs/dbraw/zinc/17/15/16/169171516.db2.gz AISQEDLMIBJJGH-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@@H+](C[C@H](C)CC(C)C)C1CC[NH2+]CC1 ZINC000302252478 169173577 /nfs/dbraw/zinc/17/35/77/169173577.db2.gz AISQEDLMIBJJGH-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP C[N@@H+](CCCC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000302269829 385506987 /nfs/dbraw/zinc/50/69/87/385506987.db2.gz GYZGNTPHLMIJNZ-PBWFPOADSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](C[NH2+]CC[N@@H+](C)C1CCCC1)C(C)(C)C ZINC000302363487 487958535 /nfs/dbraw/zinc/95/85/35/487958535.db2.gz BOQQXQAYQMALRP-CYBMUJFWSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](C[NH2+]CC[N@H+](C)C1CCCC1)C(C)(C)C ZINC000302363487 487958532 /nfs/dbraw/zinc/95/85/32/487958532.db2.gz BOQQXQAYQMALRP-CYBMUJFWSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[NH2+]CC[N@@H+](C)C1CCCC1)C(C)(C)C ZINC000302363489 487958132 /nfs/dbraw/zinc/95/81/32/487958132.db2.gz BOQQXQAYQMALRP-ZDUSSCGKSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[NH2+]CC[N@H+](C)C1CCCC1)C(C)(C)C ZINC000302363489 487958127 /nfs/dbraw/zinc/95/81/27/487958127.db2.gz BOQQXQAYQMALRP-ZDUSSCGKSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@@H+](CCCC(C)(C)C)C1CC[NH2+]CC1 ZINC000302366826 169154605 /nfs/dbraw/zinc/15/46/05/169154605.db2.gz YMLCPZJWOJHHDI-UHFFFAOYSA-N 2 1 240.435 3.277 20 0 BGADMP CC(C)C[C@H](C)C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000302396342 528460245 /nfs/dbraw/zinc/46/02/45/528460245.db2.gz RETFUNZRCXTIOD-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)C[C@H](C)C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000302396342 528460242 /nfs/dbraw/zinc/46/02/42/528460242.db2.gz RETFUNZRCXTIOD-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)C[C@@H](C)C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000302396345 528252119 /nfs/dbraw/zinc/25/21/19/528252119.db2.gz RETFUNZRCXTIOD-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)C[C@@H](C)C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000302396345 528252114 /nfs/dbraw/zinc/25/21/14/528252114.db2.gz RETFUNZRCXTIOD-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)[NH+](CC[NH2+]C[C@H](C)C(C)(C)C)C(C)C ZINC000302436960 490198854 /nfs/dbraw/zinc/19/88/54/490198854.db2.gz MIXWNFCTBCWHHO-AWEZNQCLSA-N 2 1 242.451 3.377 20 0 BGADMP CC(C)[NH+](CC[NH2+]C[C@@H](C)C(C)(C)C)C(C)C ZINC000302436962 490199032 /nfs/dbraw/zinc/19/90/32/490199032.db2.gz MIXWNFCTBCWHHO-CQSZACIVSA-N 2 1 242.451 3.377 20 0 BGADMP C[C@H](C[NH2+]CC1([NH+](C)C)CCCC1)C(C)(C)C ZINC000302515846 487968045 /nfs/dbraw/zinc/96/80/45/487968045.db2.gz ZXVKRRMAVBYXKK-CYBMUJFWSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[NH2+]CC1([NH+](C)C)CCCC1)C(C)(C)C ZINC000302515847 487968581 /nfs/dbraw/zinc/96/85/81/487968581.db2.gz ZXVKRRMAVBYXKK-ZDUSSCGKSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H]1CCCC[N@H+]1CCNc1cc[nH+]c(C)c1 ZINC000302551382 386927477 /nfs/dbraw/zinc/92/74/77/386927477.db2.gz IJWYBRNGGBWJJY-HNNXBMFYSA-N 2 1 247.386 3.066 20 0 BGADMP CC[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]c(C)c1 ZINC000302551383 356620353 /nfs/dbraw/zinc/62/03/53/356620353.db2.gz IJWYBRNGGBWJJY-OAHLLOKOSA-N 2 1 247.386 3.066 20 0 BGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC1CCCCCC1 ZINC000302670172 487976363 /nfs/dbraw/zinc/97/63/63/487976363.db2.gz LFSBHJYILKSZSQ-HNNXBMFYSA-N 2 1 240.435 3.310 20 0 BGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC1CCCCCC1 ZINC000302670173 487976343 /nfs/dbraw/zinc/97/63/43/487976343.db2.gz LFSBHJYILKSZSQ-OAHLLOKOSA-N 2 1 240.435 3.310 20 0 BGADMP CC[C@@H]1CC[C@@H](C)[N@@H+](CCCCCC[NH3+])C1 ZINC000304386196 644900315 /nfs/dbraw/zinc/90/03/15/644900315.db2.gz RTJDAHYYPJWTCF-ZIAGYGMSSA-N 2 1 226.408 3.016 20 0 BGADMP CC(C)(C)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305450852 490458567 /nfs/dbraw/zinc/45/85/67/490458567.db2.gz NCZLMFDMLLDJCM-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305451242 490458761 /nfs/dbraw/zinc/45/87/61/490458761.db2.gz NCZLMFDMLLDJCM-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)C[C@H](C)C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000305960315 528460569 /nfs/dbraw/zinc/46/05/69/528460569.db2.gz OKQXCXMUOXGKTH-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)C[C@@H](C)C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000305960317 528252031 /nfs/dbraw/zinc/25/20/31/528252031.db2.gz OKQXCXMUOXGKTH-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000306022740 384512412 /nfs/dbraw/zinc/51/24/12/384512412.db2.gz JVHAFQOPUVKHQX-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000306022742 384513670 /nfs/dbraw/zinc/51/36/70/384513670.db2.gz JVHAFQOPUVKHQX-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000306022744 384512984 /nfs/dbraw/zinc/51/29/84/384512984.db2.gz JVHAFQOPUVKHQX-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000306022747 384513635 /nfs/dbraw/zinc/51/36/35/384513635.db2.gz JVHAFQOPUVKHQX-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000306033064 384931390 /nfs/dbraw/zinc/93/13/90/384931390.db2.gz LQBBHODRPQBTSA-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000306033066 384931471 /nfs/dbraw/zinc/93/14/71/384931471.db2.gz LQBBHODRPQBTSA-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000306033068 384932117 /nfs/dbraw/zinc/93/21/17/384932117.db2.gz LQBBHODRPQBTSA-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000306033069 384931581 /nfs/dbraw/zinc/93/15/81/384931581.db2.gz LQBBHODRPQBTSA-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)[N@@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000306979517 385643759 /nfs/dbraw/zinc/64/37/59/385643759.db2.gz OZWVUXDEQRWBGQ-CYBMUJFWSA-N 2 1 234.387 3.024 20 0 BGADMP CC(C)C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000307780149 641199291 /nfs/dbraw/zinc/19/92/91/641199291.db2.gz BEXCZFUTCJHAIM-HNNXBMFYSA-N 2 1 240.435 3.264 20 0 BGADMP CC(C)C[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000307780152 641197761 /nfs/dbraw/zinc/19/77/61/641197761.db2.gz BEXCZFUTCJHAIM-OAHLLOKOSA-N 2 1 240.435 3.264 20 0 BGADMP CCCCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308616160 631345767 /nfs/dbraw/zinc/34/57/67/631345767.db2.gz UAWFOTVFEIQIKF-UHFFFAOYSA-N 2 1 226.408 3.031 20 0 BGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1CCCCC1 ZINC000308628533 388445789 /nfs/dbraw/zinc/44/57/89/388445789.db2.gz RQRYPXUAQNBLQL-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC1CCCC1 ZINC000308642067 388447239 /nfs/dbraw/zinc/44/72/39/388447239.db2.gz PFEYQIIYGLWWJZ-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CCCC(CCC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309189572 385200665 /nfs/dbraw/zinc/20/06/65/385200665.db2.gz BZVQMANLPVDRJG-CYBMUJFWSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC(CCC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309189572 385200659 /nfs/dbraw/zinc/20/06/59/385200659.db2.gz BZVQMANLPVDRJG-CYBMUJFWSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC(CCC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000309189574 385201429 /nfs/dbraw/zinc/20/14/29/385201429.db2.gz BZVQMANLPVDRJG-ZDUSSCGKSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC(CCC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000309189574 385201425 /nfs/dbraw/zinc/20/14/25/385201425.db2.gz BZVQMANLPVDRJG-ZDUSSCGKSA-N 2 1 228.424 3.274 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000309206490 343576928 /nfs/dbraw/zinc/57/69/28/343576928.db2.gz GGQBLFDUKMQNFM-KBPBESRZSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000309206490 343576927 /nfs/dbraw/zinc/57/69/27/343576927.db2.gz GGQBLFDUKMQNFM-KBPBESRZSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000309206492 385482306 /nfs/dbraw/zinc/48/23/06/385482306.db2.gz GGQBLFDUKMQNFM-KGLIPLIRSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000309206492 385482304 /nfs/dbraw/zinc/48/23/04/385482304.db2.gz GGQBLFDUKMQNFM-KGLIPLIRSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309206494 346991906 /nfs/dbraw/zinc/99/19/06/346991906.db2.gz GGQBLFDUKMQNFM-UONOGXRCSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309206494 346991905 /nfs/dbraw/zinc/99/19/05/346991905.db2.gz GGQBLFDUKMQNFM-UONOGXRCSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309206496 384485008 /nfs/dbraw/zinc/48/50/08/384485008.db2.gz GGQBLFDUKMQNFM-ZIAGYGMSSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309206496 384485004 /nfs/dbraw/zinc/48/50/04/384485004.db2.gz GGQBLFDUKMQNFM-ZIAGYGMSSA-N 2 1 228.424 3.129 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000309222802 633870665 /nfs/dbraw/zinc/87/06/65/633870665.db2.gz JHZDWSPACNSENC-KBPBESRZSA-N 2 1 228.424 3.274 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000309222802 633870659 /nfs/dbraw/zinc/87/06/59/633870659.db2.gz JHZDWSPACNSENC-KBPBESRZSA-N 2 1 228.424 3.274 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000309222803 632823905 /nfs/dbraw/zinc/82/39/05/632823905.db2.gz JHZDWSPACNSENC-KGLIPLIRSA-N 2 1 228.424 3.274 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000309222803 632823903 /nfs/dbraw/zinc/82/39/03/632823903.db2.gz JHZDWSPACNSENC-KGLIPLIRSA-N 2 1 228.424 3.274 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309222804 633869250 /nfs/dbraw/zinc/86/92/50/633869250.db2.gz JHZDWSPACNSENC-UONOGXRCSA-N 2 1 228.424 3.274 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309222804 633869248 /nfs/dbraw/zinc/86/92/48/633869248.db2.gz JHZDWSPACNSENC-UONOGXRCSA-N 2 1 228.424 3.274 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309222805 632824349 /nfs/dbraw/zinc/82/43/49/632824349.db2.gz JHZDWSPACNSENC-ZIAGYGMSSA-N 2 1 228.424 3.274 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309222805 632824345 /nfs/dbraw/zinc/82/43/45/632824345.db2.gz JHZDWSPACNSENC-ZIAGYGMSSA-N 2 1 228.424 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCCCCC1 ZINC000309251052 347005826 /nfs/dbraw/zinc/00/58/26/347005826.db2.gz OMBSJOSTXKTQRJ-CYBMUJFWSA-N 2 1 226.408 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCCCCC1 ZINC000309251052 347005823 /nfs/dbraw/zinc/00/58/23/347005823.db2.gz OMBSJOSTXKTQRJ-CYBMUJFWSA-N 2 1 226.408 3.028 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCCCCC1 ZINC000309251053 398014321 /nfs/dbraw/zinc/01/43/21/398014321.db2.gz OMBSJOSTXKTQRJ-ZDUSSCGKSA-N 2 1 226.408 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCCCCC1 ZINC000309251053 398014320 /nfs/dbraw/zinc/01/43/20/398014320.db2.gz OMBSJOSTXKTQRJ-ZDUSSCGKSA-N 2 1 226.408 3.028 20 0 BGADMP CCCC[NH2+]C[C@H](CC(C)C)[NH+](CC)CC ZINC000309706072 711662672 /nfs/dbraw/zinc/66/26/72/711662672.db2.gz OMCNZLMFKGONCV-AWEZNQCLSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[NH2+]C[C@@H](CC(C)C)[NH+](CC)CC ZINC000309706073 633230344 /nfs/dbraw/zinc/23/03/44/633230344.db2.gz OMCNZLMFKGONCV-CQSZACIVSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[C@H](C)[NH2+][C@H](C)C[N@@H+](CC)CCC ZINC000309713184 388462133 /nfs/dbraw/zinc/46/21/33/388462133.db2.gz RPVCYFIGIIGTAS-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@H](C)[NH2+][C@H](C)C[N@H+](CC)CCC ZINC000309713184 388462132 /nfs/dbraw/zinc/46/21/32/388462132.db2.gz RPVCYFIGIIGTAS-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@H](C)C[N@@H+](CC)CCC ZINC000309713185 388461451 /nfs/dbraw/zinc/46/14/51/388461451.db2.gz RPVCYFIGIIGTAS-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@H](C)C[N@H+](CC)CCC ZINC000309713185 388461449 /nfs/dbraw/zinc/46/14/49/388461449.db2.gz RPVCYFIGIIGTAS-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000309838821 384436275 /nfs/dbraw/zinc/43/62/75/384436275.db2.gz CCEGVDAKFCSJKD-KBPBESRZSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000309838821 384436272 /nfs/dbraw/zinc/43/62/72/384436272.db2.gz CCEGVDAKFCSJKD-KBPBESRZSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000309838822 384435193 /nfs/dbraw/zinc/43/51/93/384435193.db2.gz CCEGVDAKFCSJKD-KGLIPLIRSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000309838822 384435187 /nfs/dbraw/zinc/43/51/87/384435187.db2.gz CCEGVDAKFCSJKD-KGLIPLIRSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000309995783 388470572 /nfs/dbraw/zinc/47/05/72/388470572.db2.gz CCEGVDAKFCSJKD-UONOGXRCSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000309995783 388470568 /nfs/dbraw/zinc/47/05/68/388470568.db2.gz CCEGVDAKFCSJKD-UONOGXRCSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000309995787 388471143 /nfs/dbraw/zinc/47/11/43/388471143.db2.gz CCEGVDAKFCSJKD-ZIAGYGMSSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000309995787 388471142 /nfs/dbraw/zinc/47/11/42/388471142.db2.gz CCEGVDAKFCSJKD-ZIAGYGMSSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCCCC1 ZINC000309998247 388471895 /nfs/dbraw/zinc/47/18/95/388471895.db2.gz CWRKUQGKTCFARF-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCCCC1 ZINC000309998247 388471893 /nfs/dbraw/zinc/47/18/93/388471893.db2.gz CWRKUQGKTCFARF-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCCCC1 ZINC000309998249 410994108 /nfs/dbraw/zinc/99/41/08/410994108.db2.gz CWRKUQGKTCFARF-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCCCC1 ZINC000309998249 410994101 /nfs/dbraw/zinc/99/41/01/410994101.db2.gz CWRKUQGKTCFARF-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)CCC ZINC000309999138 388471748 /nfs/dbraw/zinc/47/17/48/388471748.db2.gz DDZPWEDEAGRVLI-KBPBESRZSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)CCC ZINC000309999138 388471746 /nfs/dbraw/zinc/47/17/46/388471746.db2.gz DDZPWEDEAGRVLI-KBPBESRZSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)CCC ZINC000309999139 528359866 /nfs/dbraw/zinc/35/98/66/528359866.db2.gz DDZPWEDEAGRVLI-KGLIPLIRSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)CCC ZINC000309999139 528359862 /nfs/dbraw/zinc/35/98/62/528359862.db2.gz DDZPWEDEAGRVLI-KGLIPLIRSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)CCC ZINC000309999141 388472192 /nfs/dbraw/zinc/47/21/92/388472192.db2.gz DDZPWEDEAGRVLI-UONOGXRCSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)CCC ZINC000309999141 388472189 /nfs/dbraw/zinc/47/21/89/388472189.db2.gz DDZPWEDEAGRVLI-UONOGXRCSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)CCC ZINC000309999142 388472286 /nfs/dbraw/zinc/47/22/86/388472286.db2.gz DDZPWEDEAGRVLI-ZIAGYGMSSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H](C)CCC ZINC000309999142 388472282 /nfs/dbraw/zinc/47/22/82/388472282.db2.gz DDZPWEDEAGRVLI-ZIAGYGMSSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000310002580 384558179 /nfs/dbraw/zinc/55/81/79/384558179.db2.gz FKFDUJRIYQUNKN-BFHYXJOUSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000310002580 384558174 /nfs/dbraw/zinc/55/81/74/384558174.db2.gz FKFDUJRIYQUNKN-BFHYXJOUSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000310002581 384557123 /nfs/dbraw/zinc/55/71/23/384557123.db2.gz FKFDUJRIYQUNKN-HZSPNIEDSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000310002581 384557118 /nfs/dbraw/zinc/55/71/18/384557118.db2.gz FKFDUJRIYQUNKN-HZSPNIEDSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000310002582 384557374 /nfs/dbraw/zinc/55/73/74/384557374.db2.gz FKFDUJRIYQUNKN-IHRRRGAJSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000310002582 384557371 /nfs/dbraw/zinc/55/73/71/384557371.db2.gz FKFDUJRIYQUNKN-IHRRRGAJSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000310002584 384777025 /nfs/dbraw/zinc/77/70/25/384777025.db2.gz FKFDUJRIYQUNKN-MCIONIFRSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000310002584 384777019 /nfs/dbraw/zinc/77/70/19/384777019.db2.gz FKFDUJRIYQUNKN-MCIONIFRSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000310002585 384556615 /nfs/dbraw/zinc/55/66/15/384556615.db2.gz FKFDUJRIYQUNKN-MELADBBJSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000310002585 384556608 /nfs/dbraw/zinc/55/66/08/384556608.db2.gz FKFDUJRIYQUNKN-MELADBBJSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000310002586 384556743 /nfs/dbraw/zinc/55/67/43/384556743.db2.gz FKFDUJRIYQUNKN-MGPQQGTHSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000310002586 384556737 /nfs/dbraw/zinc/55/67/37/384556737.db2.gz FKFDUJRIYQUNKN-MGPQQGTHSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000310002587 384558583 /nfs/dbraw/zinc/55/85/83/384558583.db2.gz FKFDUJRIYQUNKN-MJBXVCDLSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000310002587 384558572 /nfs/dbraw/zinc/55/85/72/384558572.db2.gz FKFDUJRIYQUNKN-MJBXVCDLSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000310002588 384556884 /nfs/dbraw/zinc/55/68/84/384556884.db2.gz FKFDUJRIYQUNKN-RDBSUJKOSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000310002588 384556879 /nfs/dbraw/zinc/55/68/79/384556879.db2.gz FKFDUJRIYQUNKN-RDBSUJKOSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCC(C)(C)C ZINC000310013869 388472867 /nfs/dbraw/zinc/47/28/67/388472867.db2.gz JXQHSULNMWOCEM-ZDUSSCGKSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CCC(C)(C)C ZINC000310013869 388472864 /nfs/dbraw/zinc/47/28/64/388472864.db2.gz JXQHSULNMWOCEM-ZDUSSCGKSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCCC(C)C ZINC000310020752 388473815 /nfs/dbraw/zinc/47/38/15/388473815.db2.gz NFCSVLHRCNNHMJ-AWEZNQCLSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CCCC(C)C ZINC000310020752 388473813 /nfs/dbraw/zinc/47/38/13/388473813.db2.gz NFCSVLHRCNNHMJ-AWEZNQCLSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCCC(C)C ZINC000310020753 388474036 /nfs/dbraw/zinc/47/40/36/388474036.db2.gz NFCSVLHRCNNHMJ-CQSZACIVSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCCC(C)C ZINC000310020753 388474035 /nfs/dbraw/zinc/47/40/35/388474035.db2.gz NFCSVLHRCNNHMJ-CQSZACIVSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](CC)CCC ZINC000310026796 388474210 /nfs/dbraw/zinc/47/42/10/388474210.db2.gz PSDNHFAPZMMEOR-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](CC)CCC ZINC000310026796 388474208 /nfs/dbraw/zinc/47/42/08/388474208.db2.gz PSDNHFAPZMMEOR-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](CC)CCC ZINC000310026797 388473538 /nfs/dbraw/zinc/47/35/38/388473538.db2.gz PSDNHFAPZMMEOR-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](CC)CCC ZINC000310026797 388473537 /nfs/dbraw/zinc/47/35/37/388473537.db2.gz PSDNHFAPZMMEOR-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](CC)C(C)C ZINC000310030726 388472702 /nfs/dbraw/zinc/47/27/02/388472702.db2.gz RAXLTUJJDDOSAK-KBPBESRZSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](CC)C(C)C ZINC000310030726 388472700 /nfs/dbraw/zinc/47/27/00/388472700.db2.gz RAXLTUJJDDOSAK-KBPBESRZSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](CC)C(C)C ZINC000310030727 388473043 /nfs/dbraw/zinc/47/30/43/388473043.db2.gz RAXLTUJJDDOSAK-UONOGXRCSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](CC)C(C)C ZINC000310030727 388473041 /nfs/dbraw/zinc/47/30/41/388473041.db2.gz RAXLTUJJDDOSAK-UONOGXRCSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC(CC)CC ZINC000310038343 384598777 /nfs/dbraw/zinc/59/87/77/384598777.db2.gz VZBZEIHNSQLQPX-CYBMUJFWSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC(CC)CC ZINC000310038343 384598767 /nfs/dbraw/zinc/59/87/67/384598767.db2.gz VZBZEIHNSQLQPX-CYBMUJFWSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CC(CC)CC ZINC000310038344 384599151 /nfs/dbraw/zinc/59/91/51/384599151.db2.gz VZBZEIHNSQLQPX-ZDUSSCGKSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CC(CC)CC ZINC000310038344 384599145 /nfs/dbraw/zinc/59/91/45/384599145.db2.gz VZBZEIHNSQLQPX-ZDUSSCGKSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000310038435 384599319 /nfs/dbraw/zinc/59/93/19/384599319.db2.gz WBVIXINXVUEULG-BFHYXJOUSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000310038435 384599314 /nfs/dbraw/zinc/59/93/14/384599314.db2.gz WBVIXINXVUEULG-BFHYXJOUSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000310038436 384596633 /nfs/dbraw/zinc/59/66/33/384596633.db2.gz WBVIXINXVUEULG-MCIONIFRSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000310038436 384596627 /nfs/dbraw/zinc/59/66/27/384596627.db2.gz WBVIXINXVUEULG-MCIONIFRSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000310038437 384597530 /nfs/dbraw/zinc/59/75/30/384597530.db2.gz WBVIXINXVUEULG-MGPQQGTHSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000310038437 384597523 /nfs/dbraw/zinc/59/75/23/384597523.db2.gz WBVIXINXVUEULG-MGPQQGTHSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000310038438 384598886 /nfs/dbraw/zinc/59/88/86/384598886.db2.gz WBVIXINXVUEULG-MJBXVCDLSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000310038438 384598879 /nfs/dbraw/zinc/59/88/79/384598879.db2.gz WBVIXINXVUEULG-MJBXVCDLSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000310038673 384598531 /nfs/dbraw/zinc/59/85/31/384598531.db2.gz WIBMNMPJMOJLPO-KBPBESRZSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000310038673 384598526 /nfs/dbraw/zinc/59/85/26/384598526.db2.gz WIBMNMPJMOJLPO-KBPBESRZSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000310038674 384597292 /nfs/dbraw/zinc/59/72/92/384597292.db2.gz WIBMNMPJMOJLPO-KGLIPLIRSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000310038674 384597284 /nfs/dbraw/zinc/59/72/84/384597284.db2.gz WIBMNMPJMOJLPO-KGLIPLIRSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000310038675 384598232 /nfs/dbraw/zinc/59/82/32/384598232.db2.gz WIBMNMPJMOJLPO-UONOGXRCSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000310038675 384598225 /nfs/dbraw/zinc/59/82/25/384598225.db2.gz WIBMNMPJMOJLPO-UONOGXRCSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000310038676 384599361 /nfs/dbraw/zinc/59/93/61/384599361.db2.gz WIBMNMPJMOJLPO-ZIAGYGMSSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000310038676 384599356 /nfs/dbraw/zinc/59/93/56/384599356.db2.gz WIBMNMPJMOJLPO-ZIAGYGMSSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000310040250 384598258 /nfs/dbraw/zinc/59/82/58/384598258.db2.gz XRPGMSWOXDVRAH-KBPBESRZSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000310040250 384598252 /nfs/dbraw/zinc/59/82/52/384598252.db2.gz XRPGMSWOXDVRAH-KBPBESRZSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000310040251 384597423 /nfs/dbraw/zinc/59/74/23/384597423.db2.gz XRPGMSWOXDVRAH-KGLIPLIRSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000310040251 384597418 /nfs/dbraw/zinc/59/74/18/384597418.db2.gz XRPGMSWOXDVRAH-KGLIPLIRSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC[C@@H](CC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000310040252 384597089 /nfs/dbraw/zinc/59/70/89/384597089.db2.gz XRPGMSWOXDVRAH-UONOGXRCSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC[C@@H](CC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000310040252 384597081 /nfs/dbraw/zinc/59/70/81/384597081.db2.gz XRPGMSWOXDVRAH-UONOGXRCSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC[C@@H](CC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000310040254 384596662 /nfs/dbraw/zinc/59/66/62/384596662.db2.gz XRPGMSWOXDVRAH-ZIAGYGMSSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC[C@@H](CC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000310040254 384596654 /nfs/dbraw/zinc/59/66/54/384596654.db2.gz XRPGMSWOXDVRAH-ZIAGYGMSSA-N 2 1 228.424 3.274 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC000310041049 384601006 /nfs/dbraw/zinc/60/10/06/384601006.db2.gz YEAIHITVHRNHSZ-CYBMUJFWSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC000310041049 384601001 /nfs/dbraw/zinc/60/10/01/384601001.db2.gz YEAIHITVHRNHSZ-CYBMUJFWSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC000310041050 384602772 /nfs/dbraw/zinc/60/27/72/384602772.db2.gz YEAIHITVHRNHSZ-ZDUSSCGKSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC000310041050 384602767 /nfs/dbraw/zinc/60/27/67/384602767.db2.gz YEAIHITVHRNHSZ-ZDUSSCGKSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[C@H](CC)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000310042192 384601608 /nfs/dbraw/zinc/60/16/08/384601608.db2.gz ZFYUDFYDBSODOV-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000310042194 384602752 /nfs/dbraw/zinc/60/27/52/384602752.db2.gz ZFYUDFYDBSODOV-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000310078581 384823770 /nfs/dbraw/zinc/82/37/70/384823770.db2.gz BWFZRSCHLSHNIC-BYNSBNAKSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000310078581 384823763 /nfs/dbraw/zinc/82/37/63/384823763.db2.gz BWFZRSCHLSHNIC-BYNSBNAKSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000310078582 187312048 /nfs/dbraw/zinc/31/20/48/187312048.db2.gz BWFZRSCHLSHNIC-GBJTYRQASA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000310078582 187312046 /nfs/dbraw/zinc/31/20/46/187312046.db2.gz BWFZRSCHLSHNIC-GBJTYRQASA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000310078583 187294335 /nfs/dbraw/zinc/29/43/35/187294335.db2.gz BWFZRSCHLSHNIC-KBUPBQIOSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000310078583 187294334 /nfs/dbraw/zinc/29/43/34/187294334.db2.gz BWFZRSCHLSHNIC-KBUPBQIOSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000310078584 384823708 /nfs/dbraw/zinc/82/37/08/384823708.db2.gz BWFZRSCHLSHNIC-LXTVHRRPSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000310078584 384823701 /nfs/dbraw/zinc/82/37/01/384823701.db2.gz BWFZRSCHLSHNIC-LXTVHRRPSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000310083424 188170587 /nfs/dbraw/zinc/17/05/87/188170587.db2.gz FFVOYNUIECYXJM-CYBMUJFWSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000310083424 188170586 /nfs/dbraw/zinc/17/05/86/188170586.db2.gz FFVOYNUIECYXJM-CYBMUJFWSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000310083425 188327591 /nfs/dbraw/zinc/32/75/91/188327591.db2.gz FFVOYNUIECYXJM-ZDUSSCGKSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000310083425 188327589 /nfs/dbraw/zinc/32/75/89/188327589.db2.gz FFVOYNUIECYXJM-ZDUSSCGKSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000310084849 326183605 /nfs/dbraw/zinc/18/36/05/326183605.db2.gz ABHPKRWFRDHDDN-KFWWJZLASA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000310084849 326183602 /nfs/dbraw/zinc/18/36/02/326183602.db2.gz ABHPKRWFRDHDDN-KFWWJZLASA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000310084850 326183628 /nfs/dbraw/zinc/18/36/28/326183628.db2.gz ABHPKRWFRDHDDN-RBSFLKMASA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000310084850 326183626 /nfs/dbraw/zinc/18/36/26/326183626.db2.gz ABHPKRWFRDHDDN-RBSFLKMASA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000310084851 326183349 /nfs/dbraw/zinc/18/33/49/326183349.db2.gz ABHPKRWFRDHDDN-RRFJBIMHSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000310084851 326183347 /nfs/dbraw/zinc/18/33/47/326183347.db2.gz ABHPKRWFRDHDDN-RRFJBIMHSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000310084852 326183322 /nfs/dbraw/zinc/18/33/22/326183322.db2.gz ABHPKRWFRDHDDN-ZNMIVQPWSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000310084852 326183321 /nfs/dbraw/zinc/18/33/21/326183321.db2.gz ABHPKRWFRDHDDN-ZNMIVQPWSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000310121621 397877948 /nfs/dbraw/zinc/87/79/48/397877948.db2.gz VEJQGLDKAKIGMF-BARDWOONSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000310121621 397877944 /nfs/dbraw/zinc/87/79/44/397877944.db2.gz VEJQGLDKAKIGMF-BARDWOONSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000310121622 188000585 /nfs/dbraw/zinc/00/05/85/188000585.db2.gz VEJQGLDKAKIGMF-KBXIAJHMSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000310121622 188000584 /nfs/dbraw/zinc/00/05/84/188000584.db2.gz VEJQGLDKAKIGMF-KBXIAJHMSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000310121623 397878027 /nfs/dbraw/zinc/87/80/27/397878027.db2.gz VEJQGLDKAKIGMF-QPSCCSFWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000310121623 397878023 /nfs/dbraw/zinc/87/80/23/397878023.db2.gz VEJQGLDKAKIGMF-QPSCCSFWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000310121624 397877835 /nfs/dbraw/zinc/87/78/35/397877835.db2.gz VEJQGLDKAKIGMF-TUVASFSCSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000310121624 397877832 /nfs/dbraw/zinc/87/78/32/397877832.db2.gz VEJQGLDKAKIGMF-TUVASFSCSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)CCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310214552 634093887 /nfs/dbraw/zinc/09/38/87/634093887.db2.gz DXNQGQXLSBITAW-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310249952 135449642 /nfs/dbraw/zinc/44/96/42/135449642.db2.gz KEFVUVJCPZPRDM-CHWSQXEVSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H](C)C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310249953 384104648 /nfs/dbraw/zinc/10/46/48/384104648.db2.gz KEFVUVJCPZPRDM-OLZOCXBDSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310249954 171295168 /nfs/dbraw/zinc/29/51/68/171295168.db2.gz KEFVUVJCPZPRDM-QWHCGFSZSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H](C)C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310249955 171298245 /nfs/dbraw/zinc/29/82/45/171298245.db2.gz KEFVUVJCPZPRDM-STQMWFEESA-N 2 1 238.419 3.028 20 0 BGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC2(C)C)CCCCC1 ZINC000310288568 388479982 /nfs/dbraw/zinc/47/99/82/388479982.db2.gz NAESTOKNQRWZOA-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC2(C)C)CCCCC1 ZINC000310288571 388479732 /nfs/dbraw/zinc/47/97/32/388479732.db2.gz NAESTOKNQRWZOA-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)c1ccc([C@@H](C)[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000310324271 634118404 /nfs/dbraw/zinc/11/84/04/634118404.db2.gz YJAYBCXBSISONI-CHWSQXEVSA-N 2 1 234.387 3.150 20 0 BGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000310324271 634118394 /nfs/dbraw/zinc/11/83/94/634118394.db2.gz YJAYBCXBSISONI-CHWSQXEVSA-N 2 1 234.387 3.150 20 0 BGADMP CC(C)c1ccc([C@H](C)[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000310324272 635609235 /nfs/dbraw/zinc/60/92/35/635609235.db2.gz YJAYBCXBSISONI-OLZOCXBDSA-N 2 1 234.387 3.150 20 0 BGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000310324272 635609232 /nfs/dbraw/zinc/60/92/32/635609232.db2.gz YJAYBCXBSISONI-OLZOCXBDSA-N 2 1 234.387 3.150 20 0 BGADMP CC(C)c1ccc([C@@H](C)[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000310324273 635608032 /nfs/dbraw/zinc/60/80/32/635608032.db2.gz YJAYBCXBSISONI-QWHCGFSZSA-N 2 1 234.387 3.150 20 0 BGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000310324273 635608029 /nfs/dbraw/zinc/60/80/29/635608029.db2.gz YJAYBCXBSISONI-QWHCGFSZSA-N 2 1 234.387 3.150 20 0 BGADMP CC(C)c1ccc([C@H](C)[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000310324274 632722475 /nfs/dbraw/zinc/72/24/75/632722475.db2.gz YJAYBCXBSISONI-STQMWFEESA-N 2 1 234.387 3.150 20 0 BGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000310324274 632722471 /nfs/dbraw/zinc/72/24/71/632722471.db2.gz YJAYBCXBSISONI-STQMWFEESA-N 2 1 234.387 3.150 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000310406086 385046403 /nfs/dbraw/zinc/04/64/03/385046403.db2.gz ICRSHDCHOGNWDI-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000310406086 385046394 /nfs/dbraw/zinc/04/63/94/385046394.db2.gz ICRSHDCHOGNWDI-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000310406088 385043684 /nfs/dbraw/zinc/04/36/84/385043684.db2.gz ICRSHDCHOGNWDI-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000310406088 385043673 /nfs/dbraw/zinc/04/36/73/385043673.db2.gz ICRSHDCHOGNWDI-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000310406089 385045734 /nfs/dbraw/zinc/04/57/34/385045734.db2.gz ICRSHDCHOGNWDI-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000310406089 385045723 /nfs/dbraw/zinc/04/57/23/385045723.db2.gz ICRSHDCHOGNWDI-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000310406091 384158952 /nfs/dbraw/zinc/15/89/52/384158952.db2.gz ICRSHDCHOGNWDI-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000310406091 384158947 /nfs/dbraw/zinc/15/89/47/384158947.db2.gz ICRSHDCHOGNWDI-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000310427208 188002452 /nfs/dbraw/zinc/00/24/52/188002452.db2.gz MFJMCBDRWQBBFV-BFHYXJOUSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000310427208 188002451 /nfs/dbraw/zinc/00/24/51/188002451.db2.gz MFJMCBDRWQBBFV-BFHYXJOUSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000310427210 385059144 /nfs/dbraw/zinc/05/91/44/385059144.db2.gz MFJMCBDRWQBBFV-MCIONIFRSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000310427210 385059137 /nfs/dbraw/zinc/05/91/37/385059137.db2.gz MFJMCBDRWQBBFV-MCIONIFRSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000310427211 385058283 /nfs/dbraw/zinc/05/82/83/385058283.db2.gz MFJMCBDRWQBBFV-MGPQQGTHSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000310427211 385058276 /nfs/dbraw/zinc/05/82/76/385058276.db2.gz MFJMCBDRWQBBFV-MGPQQGTHSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000310427212 385058456 /nfs/dbraw/zinc/05/84/56/385058456.db2.gz MFJMCBDRWQBBFV-MJBXVCDLSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000310427212 385058450 /nfs/dbraw/zinc/05/84/50/385058450.db2.gz MFJMCBDRWQBBFV-MJBXVCDLSA-N 2 1 240.435 3.129 20 0 BGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC1(C)CCC1 ZINC000310431694 491161485 /nfs/dbraw/zinc/16/14/85/491161485.db2.gz QHKDNWWDWXBEOA-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC1(C)CCC1 ZINC000310431697 491161482 /nfs/dbraw/zinc/16/14/82/491161482.db2.gz QHKDNWWDWXBEOA-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC000310433319 343493157 /nfs/dbraw/zinc/49/31/57/343493157.db2.gz NTXDNEWMKYMXTB-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC000310433319 343493156 /nfs/dbraw/zinc/49/31/56/343493156.db2.gz NTXDNEWMKYMXTB-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC000310433323 343493089 /nfs/dbraw/zinc/49/30/89/343493089.db2.gz NTXDNEWMKYMXTB-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC000310433323 343493087 /nfs/dbraw/zinc/49/30/87/343493087.db2.gz NTXDNEWMKYMXTB-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCCCCCC1 ZINC000310437802 632739926 /nfs/dbraw/zinc/73/99/26/632739926.db2.gz OXUBQVVAGNAJIB-AWEZNQCLSA-N 2 1 240.435 3.418 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCCCCCC1 ZINC000310437802 632739924 /nfs/dbraw/zinc/73/99/24/632739924.db2.gz OXUBQVVAGNAJIB-AWEZNQCLSA-N 2 1 240.435 3.418 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000310437803 632740539 /nfs/dbraw/zinc/74/05/39/632740539.db2.gz OXUBQVVAGNAJIB-CQSZACIVSA-N 2 1 240.435 3.418 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000310437803 632740536 /nfs/dbraw/zinc/74/05/36/632740536.db2.gz OXUBQVVAGNAJIB-CQSZACIVSA-N 2 1 240.435 3.418 20 0 BGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000310499461 259383468 /nfs/dbraw/zinc/38/34/68/259383468.db2.gz IWCVYOIYHWLFCP-GXTWGEPZSA-N 2 1 238.419 3.014 20 0 BGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C\c1ccccc1 ZINC000310571144 385123439 /nfs/dbraw/zinc/12/34/39/385123439.db2.gz WDYGGLANUUFOMQ-BJIFSAINSA-N 2 1 246.398 3.005 20 0 BGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C\c1ccccc1 ZINC000310571145 187312774 /nfs/dbraw/zinc/31/27/74/187312774.db2.gz WDYGGLANUUFOMQ-BSDKJSHOSA-N 2 1 246.398 3.005 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C/C=C\c1ccccc1 ZINC000310599065 187313105 /nfs/dbraw/zinc/31/31/05/187313105.db2.gz HPASLDYMTVLISP-XFFZJAGNSA-N 2 1 246.398 3.020 20 0 BGADMP CC(C)[N@H+](C)CCC[NH2+]C/C=C\c1ccccc1 ZINC000310599065 187313103 /nfs/dbraw/zinc/31/31/03/187313103.db2.gz HPASLDYMTVLISP-XFFZJAGNSA-N 2 1 246.398 3.020 20 0 BGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000310624482 488180464 /nfs/dbraw/zinc/18/04/64/488180464.db2.gz IRHUHNZSEGUZCH-AWEZNQCLSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000310624483 488180601 /nfs/dbraw/zinc/18/06/01/488180601.db2.gz IRHUHNZSEGUZCH-CQSZACIVSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000310698703 487475476 /nfs/dbraw/zinc/47/54/76/487475476.db2.gz QGTOVPDEGBSEGF-CABCVRRESA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000310698705 487475494 /nfs/dbraw/zinc/47/54/94/487475494.db2.gz QGTOVPDEGBSEGF-GJZGRUSLSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000310698707 487475415 /nfs/dbraw/zinc/47/54/15/487475415.db2.gz QGTOVPDEGBSEGF-HUUCEWRRSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000310698709 487475165 /nfs/dbraw/zinc/47/51/65/487475165.db2.gz QGTOVPDEGBSEGF-LSDHHAIUSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000310724315 323134190 /nfs/dbraw/zinc/13/41/90/323134190.db2.gz ZFEBAPZXBLLQNM-KKUMJFAQSA-N 2 1 246.398 3.094 20 0 BGADMP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000310724315 323134189 /nfs/dbraw/zinc/13/41/89/323134189.db2.gz ZFEBAPZXBLLQNM-KKUMJFAQSA-N 2 1 246.398 3.094 20 0 BGADMP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccc2ccccc21 ZINC000311013162 634203074 /nfs/dbraw/zinc/20/30/74/634203074.db2.gz MHECAPGWKINOFO-CHWSQXEVSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC000311013162 634203071 /nfs/dbraw/zinc/20/30/71/634203071.db2.gz MHECAPGWKINOFO-CHWSQXEVSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC000311013164 633047106 /nfs/dbraw/zinc/04/71/06/633047106.db2.gz MHECAPGWKINOFO-OLZOCXBDSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC000311013164 633047101 /nfs/dbraw/zinc/04/71/01/633047101.db2.gz MHECAPGWKINOFO-OLZOCXBDSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@H](c1cccc2ccccc21)[N@H+](C)C[C@H](C)[NH3+] ZINC000311013166 633048729 /nfs/dbraw/zinc/04/87/29/633048729.db2.gz MHECAPGWKINOFO-QWHCGFSZSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)C[C@H](C)[NH3+] ZINC000311013166 633048724 /nfs/dbraw/zinc/04/87/24/633048724.db2.gz MHECAPGWKINOFO-QWHCGFSZSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC000311013642 636814081 /nfs/dbraw/zinc/81/40/81/636814081.db2.gz MHECAPGWKINOFO-STQMWFEESA-N 2 1 242.366 3.180 20 0 BGADMP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC000311013642 636814077 /nfs/dbraw/zinc/81/40/77/636814077.db2.gz MHECAPGWKINOFO-STQMWFEESA-N 2 1 242.366 3.180 20 0 BGADMP C1=C(CC[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000311041885 187314767 /nfs/dbraw/zinc/31/47/67/187314767.db2.gz VIVYNMDOUOPXJS-UHFFFAOYSA-N 2 1 248.414 3.093 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000311098356 370386491 /nfs/dbraw/zinc/38/64/91/370386491.db2.gz RLWRACZAVGKYRJ-CABCVRRESA-N 2 1 248.414 3.108 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000311098356 370386483 /nfs/dbraw/zinc/38/64/83/370386483.db2.gz RLWRACZAVGKYRJ-CABCVRRESA-N 2 1 248.414 3.108 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000311098359 370386931 /nfs/dbraw/zinc/38/69/31/370386931.db2.gz RLWRACZAVGKYRJ-GJZGRUSLSA-N 2 1 248.414 3.108 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000311098359 370386930 /nfs/dbraw/zinc/38/69/30/370386930.db2.gz RLWRACZAVGKYRJ-GJZGRUSLSA-N 2 1 248.414 3.108 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000311098362 370386962 /nfs/dbraw/zinc/38/69/62/370386962.db2.gz RLWRACZAVGKYRJ-HUUCEWRRSA-N 2 1 248.414 3.108 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000311098362 370386957 /nfs/dbraw/zinc/38/69/57/370386957.db2.gz RLWRACZAVGKYRJ-HUUCEWRRSA-N 2 1 248.414 3.108 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000311098364 370386920 /nfs/dbraw/zinc/38/69/20/370386920.db2.gz RLWRACZAVGKYRJ-LSDHHAIUSA-N 2 1 248.414 3.108 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000311098364 370386917 /nfs/dbraw/zinc/38/69/17/370386917.db2.gz RLWRACZAVGKYRJ-LSDHHAIUSA-N 2 1 248.414 3.108 20 0 BGADMP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc2ccccc2c1 ZINC000311178814 634229432 /nfs/dbraw/zinc/22/94/32/634229432.db2.gz XLVKAYZHHNTPQB-CHWSQXEVSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc2ccccc2c1 ZINC000311178814 634229426 /nfs/dbraw/zinc/22/94/26/634229426.db2.gz XLVKAYZHHNTPQB-CHWSQXEVSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC000311178815 640837746 /nfs/dbraw/zinc/83/77/46/640837746.db2.gz XLVKAYZHHNTPQB-OLZOCXBDSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC000311178815 640837741 /nfs/dbraw/zinc/83/77/41/640837741.db2.gz XLVKAYZHHNTPQB-OLZOCXBDSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@H](c1ccc2ccccc2c1)[N@H+](C)C[C@H](C)[NH3+] ZINC000311178816 633081628 /nfs/dbraw/zinc/08/16/28/633081628.db2.gz XLVKAYZHHNTPQB-QWHCGFSZSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000311178816 633081626 /nfs/dbraw/zinc/08/16/26/633081626.db2.gz XLVKAYZHHNTPQB-QWHCGFSZSA-N 2 1 242.366 3.180 20 0 BGADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC000311178817 640837451 /nfs/dbraw/zinc/83/74/51/640837451.db2.gz XLVKAYZHHNTPQB-STQMWFEESA-N 2 1 242.366 3.180 20 0 BGADMP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC000311178817 640837448 /nfs/dbraw/zinc/83/74/48/640837448.db2.gz XLVKAYZHHNTPQB-STQMWFEESA-N 2 1 242.366 3.180 20 0 BGADMP CC(C)(C)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000313252934 343994102 /nfs/dbraw/zinc/99/41/02/343994102.db2.gz LZESLEGNZRBBHU-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H]([NH2+]CCn1cc[nH+]c1C)C1CCCC1 ZINC000313395439 259334567 /nfs/dbraw/zinc/33/45/67/259334567.db2.gz HPOXUSSQRMQMHV-HNNXBMFYSA-N 2 1 249.402 3.140 20 0 BGADMP CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)C1CCCC1 ZINC000313395442 259334558 /nfs/dbraw/zinc/33/45/58/259334558.db2.gz HPOXUSSQRMQMHV-OAHLLOKOSA-N 2 1 249.402 3.140 20 0 BGADMP CCC[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCCC1 ZINC000313401293 259334370 /nfs/dbraw/zinc/33/43/70/259334370.db2.gz UNZBSMZHHFVTBS-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCCC1 ZINC000313401294 259334351 /nfs/dbraw/zinc/33/43/51/259334351.db2.gz UNZBSMZHHFVTBS-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC000313464231 491056202 /nfs/dbraw/zinc/05/62/02/491056202.db2.gz UPDGUARCTIRRGB-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[NH2+][C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC000313464231 491056200 /nfs/dbraw/zinc/05/62/00/491056200.db2.gz UPDGUARCTIRRGB-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC000313464233 491056183 /nfs/dbraw/zinc/05/61/83/491056183.db2.gz UPDGUARCTIRRGB-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC000313464233 491056181 /nfs/dbraw/zinc/05/61/81/491056181.db2.gz UPDGUARCTIRRGB-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)[C@H]1C[C@H]1C ZINC000321048864 387939115 /nfs/dbraw/zinc/93/91/15/387939115.db2.gz GKVABZVEHDURSY-ILXRZTDVSA-N 2 1 240.435 3.129 20 0 BGADMP CC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)[C@@H]1C[C@H]1C ZINC000321048865 387939108 /nfs/dbraw/zinc/93/91/08/387939108.db2.gz GKVABZVEHDURSY-KFWWJZLASA-N 2 1 240.435 3.129 20 0 BGADMP CC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)[C@H]1C[C@@H]1C ZINC000321048866 387939184 /nfs/dbraw/zinc/93/91/84/387939184.db2.gz GKVABZVEHDURSY-KKUMJFAQSA-N 2 1 240.435 3.129 20 0 BGADMP CC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)[C@@H]1C[C@@H]1C ZINC000321048867 387938765 /nfs/dbraw/zinc/93/87/65/387938765.db2.gz GKVABZVEHDURSY-ZNMIVQPWSA-N 2 1 240.435 3.129 20 0 BGADMP CCCC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322352404 388432551 /nfs/dbraw/zinc/43/25/51/388432551.db2.gz FUFUKQGKKPZZHN-AVOUXACISA-N 2 1 238.419 3.170 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322352405 388432236 /nfs/dbraw/zinc/43/22/36/388432236.db2.gz FUFUKQGKKPZZHN-FFHGMXDLSA-N 2 1 238.419 3.170 20 0 BGADMP CCCC(CCC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322383735 388433454 /nfs/dbraw/zinc/43/34/54/388433454.db2.gz NZRFBRHBILXURY-GOOCMWNKSA-N 2 1 238.419 3.170 20 0 BGADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCC1 ZINC000322484784 388436612 /nfs/dbraw/zinc/43/66/12/388436612.db2.gz VMJATHIURGKLMT-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCC1 ZINC000322484785 388435878 /nfs/dbraw/zinc/43/58/78/388435878.db2.gz VMJATHIURGKLMT-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCC1 ZINC000322486134 388436557 /nfs/dbraw/zinc/43/65/57/388436557.db2.gz WHQQDYSCCMUBJE-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCC1 ZINC000322486134 388436555 /nfs/dbraw/zinc/43/65/55/388436555.db2.gz WHQQDYSCCMUBJE-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCC1 ZINC000322486135 388435843 /nfs/dbraw/zinc/43/58/43/388435843.db2.gz WHQQDYSCCMUBJE-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCC1 ZINC000322486135 388435840 /nfs/dbraw/zinc/43/58/40/388435840.db2.gz WHQQDYSCCMUBJE-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)C1CCC1 ZINC000322503019 388437075 /nfs/dbraw/zinc/43/70/75/388437075.db2.gz DXHBMGQXNIFPTL-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C1CCC1 ZINC000322503021 388437346 /nfs/dbraw/zinc/43/73/46/388437346.db2.gz DXHBMGQXNIFPTL-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC1 ZINC000322610108 388440832 /nfs/dbraw/zinc/44/08/32/388440832.db2.gz ZTQZHDCGCACWSN-CFVMTHIKSA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC1 ZINC000322610108 388440831 /nfs/dbraw/zinc/44/08/31/388440831.db2.gz ZTQZHDCGCACWSN-CFVMTHIKSA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC1 ZINC000322610112 388441340 /nfs/dbraw/zinc/44/13/40/388441340.db2.gz ZTQZHDCGCACWSN-QEJZJMRPSA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC1 ZINC000322610112 388441338 /nfs/dbraw/zinc/44/13/38/388441338.db2.gz ZTQZHDCGCACWSN-QEJZJMRPSA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCC1 ZINC000322610115 388441423 /nfs/dbraw/zinc/44/14/23/388441423.db2.gz ZTQZHDCGCACWSN-SNPRPXQTSA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCC1 ZINC000322610115 388441422 /nfs/dbraw/zinc/44/14/22/388441422.db2.gz ZTQZHDCGCACWSN-SNPRPXQTSA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCC1 ZINC000322610119 388440813 /nfs/dbraw/zinc/44/08/13/388440813.db2.gz ZTQZHDCGCACWSN-YUELXQCFSA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCC1 ZINC000322610119 388440812 /nfs/dbraw/zinc/44/08/12/388440812.db2.gz ZTQZHDCGCACWSN-YUELXQCFSA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CCC1 ZINC000322879711 388449256 /nfs/dbraw/zinc/44/92/56/388449256.db2.gz YINGVWVGPWPYKN-HNNXBMFYSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CCC1 ZINC000322879712 388449377 /nfs/dbraw/zinc/44/93/77/388449377.db2.gz YINGVWVGPWPYKN-OAHLLOKOSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H]1c2ccccc2CN1CC[C@H]1CCC[N@H+]1C ZINC000334760431 386818867 /nfs/dbraw/zinc/81/88/67/386818867.db2.gz VVARGMXEZDEJHY-DZGCQCFKSA-N 2 1 244.382 3.048 20 0 BGADMP C[C@@H]1c2ccccc2CN1CC[C@@H]1CCC[N@H+]1C ZINC000334760432 386818816 /nfs/dbraw/zinc/81/88/16/386818816.db2.gz VVARGMXEZDEJHY-HIFRSBDPSA-N 2 1 244.382 3.048 20 0 BGADMP C[C@@H]1c2ccccc2CN1CC[C@H]1CCC[N@H+]1C ZINC000334760433 386818920 /nfs/dbraw/zinc/81/89/20/386818920.db2.gz VVARGMXEZDEJHY-UKRRQHHQSA-N 2 1 244.382 3.048 20 0 BGADMP C[C@H]1c2ccccc2CN1CC[C@@H]1CCC[N@H+]1C ZINC000334760434 386819668 /nfs/dbraw/zinc/81/96/68/386819668.db2.gz VVARGMXEZDEJHY-ZFWWWQNUSA-N 2 1 244.382 3.048 20 0 BGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CCCC3)CC[NH2+]2)cc1 ZINC000334845368 386892668 /nfs/dbraw/zinc/89/26/68/386892668.db2.gz GOHXXNQLWUPDAJ-CVEARBPZSA-N 2 1 244.382 3.012 20 0 BGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCCC3)CC[NH2+]2)cc1 ZINC000334845372 386892242 /nfs/dbraw/zinc/89/22/42/386892242.db2.gz GOHXXNQLWUPDAJ-HOTGVXAUSA-N 2 1 244.382 3.012 20 0 BGADMP c1ccc([C@H]2C[C@H]([NH2+]C3CCCC3)CC[NH2+]2)cc1 ZINC000334845374 386891858 /nfs/dbraw/zinc/89/18/58/386891858.db2.gz GOHXXNQLWUPDAJ-HZPDHXFCSA-N 2 1 244.382 3.012 20 0 BGADMP c1ccc([C@H]2C[C@@H]([NH2+]C3CCCC3)CC[NH2+]2)cc1 ZINC000334845376 386892392 /nfs/dbraw/zinc/89/23/92/386892392.db2.gz GOHXXNQLWUPDAJ-JKSUJKDBSA-N 2 1 244.382 3.012 20 0 BGADMP Cc1cccc(C)c1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000336015698 134053041 /nfs/dbraw/zinc/05/30/41/134053041.db2.gz VUEGGXXTRSIWLT-AWEZNQCLSA-N 2 1 246.398 3.048 20 0 BGADMP Cc1cccc(C)c1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000336015699 134053118 /nfs/dbraw/zinc/05/31/18/134053118.db2.gz VUEGGXXTRSIWLT-CQSZACIVSA-N 2 1 246.398 3.048 20 0 BGADMP C1=C[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000336146214 134102089 /nfs/dbraw/zinc/10/20/89/134102089.db2.gz VGFIDDCYAKKRBB-HNNXBMFYSA-N 2 1 248.414 3.045 20 0 BGADMP C1=C[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000336146215 134102136 /nfs/dbraw/zinc/10/21/36/134102136.db2.gz VGFIDDCYAKKRBB-OAHLLOKOSA-N 2 1 248.414 3.045 20 0 BGADMP C[NH+](CC1=CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000336262622 387097500 /nfs/dbraw/zinc/09/75/00/387097500.db2.gz WWBBUDZRIFAJKX-XYPWUTKMSA-N 2 1 248.414 3.044 20 0 BGADMP C[NH+](CC1=CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000336262622 387097494 /nfs/dbraw/zinc/09/74/94/387097494.db2.gz WWBBUDZRIFAJKX-XYPWUTKMSA-N 2 1 248.414 3.044 20 0 BGADMP C[N@@H+](CC1=CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000336262622 387097490 /nfs/dbraw/zinc/09/74/90/387097490.db2.gz WWBBUDZRIFAJKX-XYPWUTKMSA-N 2 1 248.414 3.044 20 0 BGADMP CC1(C[N@@H+](CCC[NH3+])Cc2ccccc2)CCC1 ZINC000336657260 487716259 /nfs/dbraw/zinc/71/62/59/487716259.db2.gz PNDZSPWADQHWHJ-UHFFFAOYSA-N 2 1 246.398 3.028 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](CCC(C)C)C1CC1 ZINC000336696148 537827166 /nfs/dbraw/zinc/82/71/66/537827166.db2.gz FFZZGRRTQJKCFC-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](CCC(C)C)C1CC1 ZINC000336696148 537827155 /nfs/dbraw/zinc/82/71/55/537827155.db2.gz FFZZGRRTQJKCFC-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@]1(C)CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336699154 171200384 /nfs/dbraw/zinc/20/03/84/171200384.db2.gz GLLZNLBTQMXALU-HNNXBMFYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@@]1(C)CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336699154 171200383 /nfs/dbraw/zinc/20/03/83/171200383.db2.gz GLLZNLBTQMXALU-HNNXBMFYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@]1(C)CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336699174 386384214 /nfs/dbraw/zinc/38/42/14/386384214.db2.gz GLLZNLBTQMXALU-OAHLLOKOSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@]1(C)CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336699174 386384211 /nfs/dbraw/zinc/38/42/11/386384211.db2.gz GLLZNLBTQMXALU-OAHLLOKOSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)CC1(C)C ZINC000336699312 180237063 /nfs/dbraw/zinc/23/70/63/180237063.db2.gz GTKDFAHDPNONKN-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)CC1(C)C ZINC000336699312 180237061 /nfs/dbraw/zinc/23/70/61/180237061.db2.gz GTKDFAHDPNONKN-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CCCC[N@@H+]1C[C@H](C)CC1(C)C ZINC000336699312 180237057 /nfs/dbraw/zinc/23/70/57/180237057.db2.gz GTKDFAHDPNONKN-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)CC1(C)C ZINC000336699313 180233540 /nfs/dbraw/zinc/23/35/40/180233540.db2.gz GTKDFAHDPNONKN-ZDUSSCGKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)CC1(C)C ZINC000336699313 180233533 /nfs/dbraw/zinc/23/35/33/180233533.db2.gz GTKDFAHDPNONKN-ZDUSSCGKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCCC[C@@H]1C ZINC000336703817 180232798 /nfs/dbraw/zinc/23/27/98/180232798.db2.gz LNBBJVBMPVJLRQ-AWEZNQCLSA-N 2 1 249.402 3.236 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCCC[C@@H]1C ZINC000336703817 180232795 /nfs/dbraw/zinc/23/27/95/180232795.db2.gz LNBBJVBMPVJLRQ-AWEZNQCLSA-N 2 1 249.402 3.236 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCCC[C@H]1C ZINC000336703820 180232685 /nfs/dbraw/zinc/23/26/85/180232685.db2.gz LNBBJVBMPVJLRQ-CQSZACIVSA-N 2 1 249.402 3.236 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCCC[C@H]1C ZINC000336703820 180232680 /nfs/dbraw/zinc/23/26/80/180232680.db2.gz LNBBJVBMPVJLRQ-CQSZACIVSA-N 2 1 249.402 3.236 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C)(C)CC1 ZINC000336706392 180233313 /nfs/dbraw/zinc/23/33/13/180233313.db2.gz JVANEVYEDUBCSF-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336706916 386411290 /nfs/dbraw/zinc/41/12/90/386411290.db2.gz XXUGLVFRSAXZFO-HNNXBMFYSA-N 2 1 249.402 3.236 20 0 BGADMP CC[C@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336706916 386411285 /nfs/dbraw/zinc/41/12/85/386411285.db2.gz XXUGLVFRSAXZFO-HNNXBMFYSA-N 2 1 249.402 3.236 20 0 BGADMP CC[C@H]1CCCCC[N@H+]1CCCn1ccnc1C ZINC000336706916 386411280 /nfs/dbraw/zinc/41/12/80/386411280.db2.gz XXUGLVFRSAXZFO-HNNXBMFYSA-N 2 1 249.402 3.236 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336706918 350458929 /nfs/dbraw/zinc/45/89/29/350458929.db2.gz XXUGLVFRSAXZFO-OAHLLOKOSA-N 2 1 249.402 3.236 20 0 BGADMP CC[C@@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336706918 350458926 /nfs/dbraw/zinc/45/89/26/350458926.db2.gz XXUGLVFRSAXZFO-OAHLLOKOSA-N 2 1 249.402 3.236 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1CCCn1ccnc1C ZINC000336706918 350458922 /nfs/dbraw/zinc/45/89/22/350458922.db2.gz XXUGLVFRSAXZFO-OAHLLOKOSA-N 2 1 249.402 3.236 20 0 BGADMP CCC(C)(C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000336709270 168287191 /nfs/dbraw/zinc/28/71/91/168287191.db2.gz JNHRUVLRVJXNGJ-UHFFFAOYSA-N 2 1 237.391 3.092 20 0 BGADMP CCC(C)(C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000336709270 168287189 /nfs/dbraw/zinc/28/71/89/168287189.db2.gz JNHRUVLRVJXNGJ-UHFFFAOYSA-N 2 1 237.391 3.092 20 0 BGADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000336712570 171127302 /nfs/dbraw/zinc/12/73/02/171127302.db2.gz OSQRICIRVHDWCU-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1C[C@H](C)C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000336712570 171127300 /nfs/dbraw/zinc/12/73/00/171127300.db2.gz OSQRICIRVHDWCU-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1C[C@@H](C)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000336712572 398135482 /nfs/dbraw/zinc/13/54/82/398135482.db2.gz OSQRICIRVHDWCU-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1C[C@@H](C)C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000336712572 398135478 /nfs/dbraw/zinc/13/54/78/398135478.db2.gz OSQRICIRVHDWCU-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000336712574 171117636 /nfs/dbraw/zinc/11/76/36/171117636.db2.gz OSQRICIRVHDWCU-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000336712574 171117633 /nfs/dbraw/zinc/11/76/33/171117633.db2.gz OSQRICIRVHDWCU-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1C[C@H](C)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000336712576 398135504 /nfs/dbraw/zinc/13/55/04/398135504.db2.gz OSQRICIRVHDWCU-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1C[C@H](C)C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000336712576 398135499 /nfs/dbraw/zinc/13/54/99/398135499.db2.gz OSQRICIRVHDWCU-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000336714640 169956518 /nfs/dbraw/zinc/95/65/18/169956518.db2.gz SCDKNNHNMXKRHJ-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000336714641 358496137 /nfs/dbraw/zinc/49/61/37/358496137.db2.gz SCDKNNHNMXKRHJ-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](CC(C)C)C1CC1 ZINC000336714770 180233210 /nfs/dbraw/zinc/23/32/10/180233210.db2.gz QLLWHCGOHKQJBX-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(C)C)C1CC1 ZINC000336714770 180233208 /nfs/dbraw/zinc/23/32/08/180233208.db2.gz QLLWHCGOHKQJBX-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP CCC[C@@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000336717036 169363643 /nfs/dbraw/zinc/36/36/43/169363643.db2.gz XNRMJTZJJDJZAQ-CYBMUJFWSA-N 2 1 237.391 3.092 20 0 BGADMP CCC[C@@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000336717036 169363641 /nfs/dbraw/zinc/36/36/41/169363641.db2.gz XNRMJTZJJDJZAQ-CYBMUJFWSA-N 2 1 237.391 3.092 20 0 BGADMP CCC[C@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000336717039 386436066 /nfs/dbraw/zinc/43/60/66/386436066.db2.gz XNRMJTZJJDJZAQ-ZDUSSCGKSA-N 2 1 237.391 3.092 20 0 BGADMP CCC[C@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000336717039 386436061 /nfs/dbraw/zinc/43/60/61/386436061.db2.gz XNRMJTZJJDJZAQ-ZDUSSCGKSA-N 2 1 237.391 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C(C)C)C1CCCC1 ZINC000336717675 180237315 /nfs/dbraw/zinc/23/73/15/180237315.db2.gz UGSBBRYLDDCIKF-UHFFFAOYSA-N 2 1 249.402 3.235 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C(C)C)C1CCCC1 ZINC000336717675 180237314 /nfs/dbraw/zinc/23/73/14/180237314.db2.gz UGSBBRYLDDCIKF-UHFFFAOYSA-N 2 1 249.402 3.235 20 0 BGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC1(C)C ZINC000336719664 177075699 /nfs/dbraw/zinc/07/56/99/177075699.db2.gz VWVGSIJOWIETAB-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC1(C)C ZINC000336719665 176072313 /nfs/dbraw/zinc/07/23/13/176072313.db2.gz VWVGSIJOWIETAB-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC1(C)C ZINC000336719666 177075998 /nfs/dbraw/zinc/07/59/98/177075998.db2.gz VWVGSIJOWIETAB-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC1(C)C ZINC000336719667 176070479 /nfs/dbraw/zinc/07/04/79/176070479.db2.gz VWVGSIJOWIETAB-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000336722703 386463484 /nfs/dbraw/zinc/46/34/84/386463484.db2.gz YUGCISONKUNAJH-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP CCCC[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000336722703 386463481 /nfs/dbraw/zinc/46/34/81/386463481.db2.gz YUGCISONKUNAJH-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP CCC[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336733084 386470559 /nfs/dbraw/zinc/47/05/59/386470559.db2.gz SXGSLNJPHHSAEW-HNNXBMFYSA-N 2 1 249.402 3.236 20 0 BGADMP CCC[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336733084 386470553 /nfs/dbraw/zinc/47/05/53/386470553.db2.gz SXGSLNJPHHSAEW-HNNXBMFYSA-N 2 1 249.402 3.236 20 0 BGADMP CCC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336733085 386469470 /nfs/dbraw/zinc/46/94/70/386469470.db2.gz SXGSLNJPHHSAEW-OAHLLOKOSA-N 2 1 249.402 3.236 20 0 BGADMP CCC[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336733085 386469466 /nfs/dbraw/zinc/46/94/66/386469466.db2.gz SXGSLNJPHHSAEW-OAHLLOKOSA-N 2 1 249.402 3.236 20 0 BGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)CC1CCC1 ZINC000336783420 386508496 /nfs/dbraw/zinc/50/84/96/386508496.db2.gz NUVXKYMHCYCLSI-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[N@H+](CCCCn1cc[nH+]c1C)CC1CCC1 ZINC000336783420 386508492 /nfs/dbraw/zinc/50/84/92/386508492.db2.gz NUVXKYMHCYCLSI-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C)CC[NH+]1C ZINC000337135797 177327059 /nfs/dbraw/zinc/32/70/59/177327059.db2.gz BZVABRNMLOMPMM-KBPBESRZSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@H]1C[C@@H]([N@H+](C)CCCC(C)(C)C)CC[NH+]1C ZINC000337135797 177327057 /nfs/dbraw/zinc/32/70/57/177327057.db2.gz BZVABRNMLOMPMM-KBPBESRZSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@H]1C[C@@H]([NH+](C)CCCC(C)(C)C)CC[N@H+]1C ZINC000337135797 177327056 /nfs/dbraw/zinc/32/70/56/177327056.db2.gz BZVABRNMLOMPMM-KBPBESRZSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@H]1C[C@@H]([NH+](C)CCCC(C)(C)C)CC[N@@H+]1C ZINC000337135797 177327054 /nfs/dbraw/zinc/32/70/54/177327054.db2.gz BZVABRNMLOMPMM-KBPBESRZSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C)CC[NH+]1C ZINC000337135799 176371860 /nfs/dbraw/zinc/37/18/60/176371860.db2.gz BZVABRNMLOMPMM-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCC(C)(C)C)CC[NH+]1C ZINC000337135799 176371858 /nfs/dbraw/zinc/37/18/58/176371858.db2.gz BZVABRNMLOMPMM-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@@H]1C[C@@H]([NH+](C)CCCC(C)(C)C)CC[N@H+]1C ZINC000337135799 176371857 /nfs/dbraw/zinc/37/18/57/176371857.db2.gz BZVABRNMLOMPMM-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@@H]1C[C@@H]([NH+](C)CCCC(C)(C)C)CC[N@@H+]1C ZINC000337135799 176371855 /nfs/dbraw/zinc/37/18/55/176371855.db2.gz BZVABRNMLOMPMM-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C)CCN1C ZINC000337135799 176371854 /nfs/dbraw/zinc/37/18/54/176371854.db2.gz BZVABRNMLOMPMM-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C)CC[NH+]1C ZINC000337135801 177364903 /nfs/dbraw/zinc/36/49/03/177364903.db2.gz BZVABRNMLOMPMM-UONOGXRCSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@H]1C[C@H]([N@H+](C)CCCC(C)(C)C)CC[NH+]1C ZINC000337135801 177364901 /nfs/dbraw/zinc/36/49/01/177364901.db2.gz BZVABRNMLOMPMM-UONOGXRCSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@H]1C[C@H]([NH+](C)CCCC(C)(C)C)CC[N@H+]1C ZINC000337135801 177364900 /nfs/dbraw/zinc/36/49/00/177364900.db2.gz BZVABRNMLOMPMM-UONOGXRCSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@H]1C[C@H]([NH+](C)CCCC(C)(C)C)CC[N@@H+]1C ZINC000337135801 177364899 /nfs/dbraw/zinc/36/48/99/177364899.db2.gz BZVABRNMLOMPMM-UONOGXRCSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C)CC[NH+]1C ZINC000337135802 386622787 /nfs/dbraw/zinc/62/27/87/386622787.db2.gz BZVABRNMLOMPMM-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@@H]1C[C@H]([N@H+](C)CCCC(C)(C)C)CC[NH+]1C ZINC000337135802 386622782 /nfs/dbraw/zinc/62/27/82/386622782.db2.gz BZVABRNMLOMPMM-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@@H]1C[C@H]([NH+](C)CCCC(C)(C)C)CC[N@H+]1C ZINC000337135802 386622777 /nfs/dbraw/zinc/62/27/77/386622777.db2.gz BZVABRNMLOMPMM-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@@H]1C[C@H]([NH+](C)CCCC(C)(C)C)CC[N@@H+]1C ZINC000337135802 386622771 /nfs/dbraw/zinc/62/27/71/386622771.db2.gz BZVABRNMLOMPMM-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C)CCN1C ZINC000337135802 386622764 /nfs/dbraw/zinc/62/27/64/386622764.db2.gz BZVABRNMLOMPMM-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000337173280 173040494 /nfs/dbraw/zinc/04/04/94/173040494.db2.gz HCXJKFFHIJNUME-AWEZNQCLSA-N 2 1 240.435 3.086 20 0 BGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000337173280 173040491 /nfs/dbraw/zinc/04/04/91/173040491.db2.gz HCXJKFFHIJNUME-AWEZNQCLSA-N 2 1 240.435 3.086 20 0 BGADMP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000337173280 173040489 /nfs/dbraw/zinc/04/04/89/173040489.db2.gz HCXJKFFHIJNUME-AWEZNQCLSA-N 2 1 240.435 3.086 20 0 BGADMP C[NH+](CCCC(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000337173281 386633567 /nfs/dbraw/zinc/63/35/67/386633567.db2.gz HCXJKFFHIJNUME-CQSZACIVSA-N 2 1 240.435 3.086 20 0 BGADMP C[NH+](CCCC(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000337173281 386633562 /nfs/dbraw/zinc/63/35/62/386633562.db2.gz HCXJKFFHIJNUME-CQSZACIVSA-N 2 1 240.435 3.086 20 0 BGADMP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000337173281 386633558 /nfs/dbraw/zinc/63/35/58/386633558.db2.gz HCXJKFFHIJNUME-CQSZACIVSA-N 2 1 240.435 3.086 20 0 BGADMP CC[NH+]1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC000337177697 350560807 /nfs/dbraw/zinc/56/08/07/350560807.db2.gz KGQOHMJIIVOZIC-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+]1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC000337177697 350560803 /nfs/dbraw/zinc/56/08/03/350560803.db2.gz KGQOHMJIIVOZIC-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP CC(C)C[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000337192140 191137055 /nfs/dbraw/zinc/13/70/55/191137055.db2.gz TUVWOXPSSBUKPG-KKUMJFAQSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337192140 191137053 /nfs/dbraw/zinc/13/70/53/191137053.db2.gz TUVWOXPSSBUKPG-KKUMJFAQSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000337192140 191137050 /nfs/dbraw/zinc/13/70/50/191137050.db2.gz TUVWOXPSSBUKPG-KKUMJFAQSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000337192140 191137048 /nfs/dbraw/zinc/13/70/48/191137048.db2.gz TUVWOXPSSBUKPG-KKUMJFAQSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000337192140 191137046 /nfs/dbraw/zinc/13/70/46/191137046.db2.gz TUVWOXPSSBUKPG-KKUMJFAQSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000337192141 188014798 /nfs/dbraw/zinc/01/47/98/188014798.db2.gz TUVWOXPSSBUKPG-RRFJBIMHSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337192141 188014796 /nfs/dbraw/zinc/01/47/96/188014796.db2.gz TUVWOXPSSBUKPG-RRFJBIMHSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000337192141 188014794 /nfs/dbraw/zinc/01/47/94/188014794.db2.gz TUVWOXPSSBUKPG-RRFJBIMHSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000337192141 188014792 /nfs/dbraw/zinc/01/47/92/188014792.db2.gz TUVWOXPSSBUKPG-RRFJBIMHSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000337192142 188185578 /nfs/dbraw/zinc/18/55/78/188185578.db2.gz TUVWOXPSSBUKPG-SOUVJXGZSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337192142 188185576 /nfs/dbraw/zinc/18/55/76/188185576.db2.gz TUVWOXPSSBUKPG-SOUVJXGZSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000337192142 188185575 /nfs/dbraw/zinc/18/55/75/188185575.db2.gz TUVWOXPSSBUKPG-SOUVJXGZSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000337192142 188185573 /nfs/dbraw/zinc/18/55/73/188185573.db2.gz TUVWOXPSSBUKPG-SOUVJXGZSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000337192143 386644895 /nfs/dbraw/zinc/64/48/95/386644895.db2.gz TUVWOXPSSBUKPG-ZNMIVQPWSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337192143 386644890 /nfs/dbraw/zinc/64/48/90/386644890.db2.gz TUVWOXPSSBUKPG-ZNMIVQPWSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000337192143 386644884 /nfs/dbraw/zinc/64/48/84/386644884.db2.gz TUVWOXPSSBUKPG-ZNMIVQPWSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000337192143 386644880 /nfs/dbraw/zinc/64/48/80/386644880.db2.gz TUVWOXPSSBUKPG-ZNMIVQPWSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000337192143 386644876 /nfs/dbraw/zinc/64/48/76/386644876.db2.gz TUVWOXPSSBUKPG-ZNMIVQPWSA-N 2 1 240.435 3.083 20 0 BGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000337206271 188185338 /nfs/dbraw/zinc/18/53/38/188185338.db2.gz MDZPLYKAGLRCEP-CABCVRRESA-N 2 1 240.435 3.085 20 0 BGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000337206272 386666361 /nfs/dbraw/zinc/66/63/61/386666361.db2.gz MDZPLYKAGLRCEP-GJZGRUSLSA-N 2 1 240.435 3.085 20 0 BGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000337206273 187323374 /nfs/dbraw/zinc/32/33/74/187323374.db2.gz MDZPLYKAGLRCEP-HUUCEWRRSA-N 2 1 240.435 3.085 20 0 BGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000337206274 386666539 /nfs/dbraw/zinc/66/65/39/386666539.db2.gz MDZPLYKAGLRCEP-LSDHHAIUSA-N 2 1 240.435 3.085 20 0 BGADMP C[N@@H+](CCC[NH+]1CCCC1)CCCC(C)(C)C ZINC000337220674 386661446 /nfs/dbraw/zinc/66/14/46/386661446.db2.gz DJYJPXQVSLQCCZ-UHFFFAOYSA-N 2 1 240.435 3.230 20 0 BGADMP CC(C)C[C@H](C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337285351 188185660 /nfs/dbraw/zinc/18/56/60/188185660.db2.gz ZWIBCWGRFISRKP-HNNXBMFYSA-N 2 1 240.435 3.086 20 0 BGADMP CC(C)C[C@@H](C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337285352 386702731 /nfs/dbraw/zinc/70/27/31/386702731.db2.gz ZWIBCWGRFISRKP-OAHLLOKOSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cc1 ZINC000337304455 169156573 /nfs/dbraw/zinc/15/65/73/169156573.db2.gz RVOHDDQXEYFXSV-UHFFFAOYSA-N 2 1 248.414 3.159 20 0 BGADMP CCc1ccc(C[N@@H+](CC)CCC[NH+](C)C)cc1 ZINC000337330057 385598376 /nfs/dbraw/zinc/59/83/76/385598376.db2.gz FZYZVKRMNZMWDX-UHFFFAOYSA-N 2 1 248.414 3.023 20 0 BGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(C)c1 ZINC000337331276 169155816 /nfs/dbraw/zinc/15/58/16/169155816.db2.gz HTMMHIWHFJSURR-UHFFFAOYSA-N 2 1 248.414 3.159 20 0 BGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cc1C ZINC000337336662 385607346 /nfs/dbraw/zinc/60/73/46/385607346.db2.gz NMWQFOGOABZMKT-UHFFFAOYSA-N 2 1 248.414 3.077 20 0 BGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C ZINC000337340225 169156964 /nfs/dbraw/zinc/15/69/64/169156964.db2.gz SLTFBIVZCXGGHZ-UHFFFAOYSA-N 2 1 248.414 3.159 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H]1CCC12CCC2)C(C)C ZINC000337381458 385621617 /nfs/dbraw/zinc/62/16/17/385621617.db2.gz DULXVOKWLRIGLC-AWEZNQCLSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC12CCC2)C(C)C ZINC000337381459 187671385 /nfs/dbraw/zinc/67/13/85/187671385.db2.gz DULXVOKWLRIGLC-CQSZACIVSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000337944764 350657338 /nfs/dbraw/zinc/65/73/38/350657338.db2.gz CMBCAUYMKSSRRL-CABCVRRESA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000337944768 385853948 /nfs/dbraw/zinc/85/39/48/385853948.db2.gz CMBCAUYMKSSRRL-GJZGRUSLSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000337944772 170985491 /nfs/dbraw/zinc/98/54/91/170985491.db2.gz CMBCAUYMKSSRRL-HUUCEWRRSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000337944776 385853305 /nfs/dbraw/zinc/85/33/05/385853305.db2.gz CMBCAUYMKSSRRL-LSDHHAIUSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+]CC1CCCCCC1 ZINC000337947834 180243179 /nfs/dbraw/zinc/24/31/79/180243179.db2.gz DEATWYCBBOTISO-UHFFFAOYSA-N 2 1 249.402 3.142 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000337949111 180248179 /nfs/dbraw/zinc/24/81/79/180248179.db2.gz MHCQZVRPKFWFGD-AWEZNQCLSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000337949113 180243409 /nfs/dbraw/zinc/24/34/09/180243409.db2.gz MHCQZVRPKFWFGD-CQSZACIVSA-N 2 1 249.402 3.140 20 0 BGADMP CCC1CCC([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000337950739 385858849 /nfs/dbraw/zinc/85/88/49/385858849.db2.gz OCGOZFWDPMJQHF-UHFFFAOYSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(C)(C)CC1 ZINC000337951284 180244274 /nfs/dbraw/zinc/24/42/74/180244274.db2.gz RLAWGQVBKLYDJG-UHFFFAOYSA-N 2 1 249.402 3.140 20 0 BGADMP CCCC[C@H](CC)[NH2+]CCCn1cc[nH+]c1C ZINC000338011031 169000133 /nfs/dbraw/zinc/00/01/33/169000133.db2.gz LUKVLYDSKWULIH-AWEZNQCLSA-N 2 1 237.391 3.140 20 0 BGADMP CCCC[C@@H](CC)[NH2+]CCCn1cc[nH+]c1C ZINC000338011032 350661105 /nfs/dbraw/zinc/66/11/05/350661105.db2.gz LUKVLYDSKWULIH-CQSZACIVSA-N 2 1 237.391 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC1CCCC1 ZINC000338018004 180247231 /nfs/dbraw/zinc/24/72/31/180247231.db2.gz GUONMGRAZIYQBL-CYBMUJFWSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC1CCCC1 ZINC000338018005 180244212 /nfs/dbraw/zinc/24/42/12/180244212.db2.gz GUONMGRAZIYQBL-ZDUSSCGKSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C1CCCCC1 ZINC000338024836 180247668 /nfs/dbraw/zinc/24/76/68/180247668.db2.gz WQBGBRIBYPVTIJ-CYBMUJFWSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C1CCCCC1 ZINC000338024838 180243865 /nfs/dbraw/zinc/24/38/65/180243865.db2.gz WQBGBRIBYPVTIJ-ZDUSSCGKSA-N 2 1 249.402 3.140 20 0 BGADMP CCCC(CCC)[NH2+]CCCn1cc[nH+]c1C ZINC000338025071 385876828 /nfs/dbraw/zinc/87/68/28/385876828.db2.gz XPGDTFJBMVBSFB-UHFFFAOYSA-N 2 1 237.391 3.140 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](CC(C)C)C(C)C ZINC000338230724 385921355 /nfs/dbraw/zinc/92/13/55/385921355.db2.gz JGOCBLQSTVZORA-UHFFFAOYSA-N 2 1 228.424 3.085 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](CCC(C)C)C1CC1 ZINC000338232224 385922871 /nfs/dbraw/zinc/92/28/71/385922871.db2.gz FKEJGKPPLVQZRZ-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H](C)C(C)C ZINC000338233344 385921887 /nfs/dbraw/zinc/92/18/87/385921887.db2.gz HLQXTPGJFZADHS-AWEZNQCLSA-N 2 1 228.424 3.085 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](CC)[C@H](C)C(C)C ZINC000338233346 385921988 /nfs/dbraw/zinc/92/19/88/385921988.db2.gz HLQXTPGJFZADHS-CQSZACIVSA-N 2 1 228.424 3.085 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(C)cc1 ZINC000338233715 385921945 /nfs/dbraw/zinc/92/19/45/385921945.db2.gz DDLFTTUTAUXOJK-UHFFFAOYSA-N 2 1 248.414 3.159 20 0 BGADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(C)cc1 ZINC000338233715 385921939 /nfs/dbraw/zinc/92/19/39/385921939.db2.gz DDLFTTUTAUXOJK-UHFFFAOYSA-N 2 1 248.414 3.159 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1cccc(C)c1 ZINC000338235541 385931808 /nfs/dbraw/zinc/93/18/08/385931808.db2.gz VRWQTXYYLGRSPP-UHFFFAOYSA-N 2 1 248.414 3.159 20 0 BGADMP CC[NH+](CC)CCC[N@H+](C)Cc1cccc(C)c1 ZINC000338235541 385931804 /nfs/dbraw/zinc/93/18/04/385931804.db2.gz VRWQTXYYLGRSPP-UHFFFAOYSA-N 2 1 248.414 3.159 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000338236385 385931316 /nfs/dbraw/zinc/93/13/16/385931316.db2.gz VDZUEKUSTDEZAI-CABCVRRESA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000338236386 385931199 /nfs/dbraw/zinc/93/11/99/385931199.db2.gz VDZUEKUSTDEZAI-GJZGRUSLSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000338236389 385930381 /nfs/dbraw/zinc/93/03/81/385930381.db2.gz VDZUEKUSTDEZAI-HUUCEWRRSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000338236390 385932093 /nfs/dbraw/zinc/93/20/93/385932093.db2.gz VDZUEKUSTDEZAI-LSDHHAIUSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1CC(C)C ZINC000338237486 385930937 /nfs/dbraw/zinc/93/09/37/385930937.db2.gz PCIWCLCICGVKPJ-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1CC(C)C ZINC000338237488 385932804 /nfs/dbraw/zinc/93/28/04/385932804.db2.gz PCIWCLCICGVKPJ-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[N@@H+](CCC[NH+](CC)CC)CC(C)C ZINC000338237709 169155760 /nfs/dbraw/zinc/15/57/60/169155760.db2.gz XLUWYWZNNGVBAN-UHFFFAOYSA-N 2 1 228.424 3.086 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccccc1C ZINC000338249714 385929439 /nfs/dbraw/zinc/92/94/39/385929439.db2.gz KNGWEVSKMBVVBE-UHFFFAOYSA-N 2 1 248.414 3.159 20 0 BGADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccccc1C ZINC000338249714 385929437 /nfs/dbraw/zinc/92/94/37/385929437.db2.gz KNGWEVSKMBVVBE-UHFFFAOYSA-N 2 1 248.414 3.159 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000338263971 385935431 /nfs/dbraw/zinc/93/54/31/385935431.db2.gz BWTVHXWQGQVXKT-HNNXBMFYSA-N 2 1 248.414 3.411 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000338263972 385936540 /nfs/dbraw/zinc/93/65/40/385936540.db2.gz BWTVHXWQGQVXKT-OAHLLOKOSA-N 2 1 248.414 3.411 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)C1CCC(C)CC1 ZINC000338265453 385935701 /nfs/dbraw/zinc/93/57/01/385935701.db2.gz YXNUTTWAYCWOFF-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C(C)C)C1CCCC1 ZINC000338276165 385938386 /nfs/dbraw/zinc/93/83/86/385938386.db2.gz QEUKHTYIPBIMQL-UHFFFAOYSA-N 2 1 240.435 3.371 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1CC=CCC1 ZINC000338293430 385955876 /nfs/dbraw/zinc/95/58/76/385955876.db2.gz ZIVCMKYASJORKP-HNNXBMFYSA-N 2 1 238.419 3.006 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000338293431 385955117 /nfs/dbraw/zinc/95/51/17/385955117.db2.gz ZIVCMKYASJORKP-OAHLLOKOSA-N 2 1 238.419 3.006 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000338302541 385951778 /nfs/dbraw/zinc/95/17/78/385951778.db2.gz CSPCVZHQMUHIDM-AWEZNQCLSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000338302542 385952660 /nfs/dbraw/zinc/95/26/60/385952660.db2.gz CSPCVZHQMUHIDM-CQSZACIVSA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@H](C)C[N@@H+](CC)CCC[NH+](CC)CC ZINC000338304007 171278215 /nfs/dbraw/zinc/27/82/15/171278215.db2.gz HNJXYZGJIJHFFT-AWEZNQCLSA-N 2 1 228.424 3.086 20 0 BGADMP CC[C@@H](C)C[N@@H+](CC)CCC[NH+](CC)CC ZINC000338304009 385953183 /nfs/dbraw/zinc/95/31/83/385953183.db2.gz HNJXYZGJIJHFFT-CQSZACIVSA-N 2 1 228.424 3.086 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1C(C)C ZINC000338308301 385955453 /nfs/dbraw/zinc/95/54/53/385955453.db2.gz SOHHCESEWXFGFC-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1C(C)C ZINC000338308303 385956109 /nfs/dbraw/zinc/95/61/09/385956109.db2.gz SOHHCESEWXFGFC-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000338358303 180250849 /nfs/dbraw/zinc/25/08/49/180250849.db2.gz LZSNVJDWYFYWSD-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000338358303 180250844 /nfs/dbraw/zinc/25/08/44/180250844.db2.gz LZSNVJDWYFYWSD-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000338358305 180252269 /nfs/dbraw/zinc/25/22/69/180252269.db2.gz LZSNVJDWYFYWSD-ZDUSSCGKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000338358305 180252267 /nfs/dbraw/zinc/25/22/67/180252267.db2.gz LZSNVJDWYFYWSD-ZDUSSCGKSA-N 2 1 249.402 3.092 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000338377910 385984231 /nfs/dbraw/zinc/98/42/31/385984231.db2.gz NTCAKJQWXKDDHV-AWEZNQCLSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000338377911 385982802 /nfs/dbraw/zinc/98/28/02/385982802.db2.gz NTCAKJQWXKDDHV-CQSZACIVSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](CC1CCC1)C(C)C ZINC000338378829 385982895 /nfs/dbraw/zinc/98/28/95/385982895.db2.gz UXSGEUFZRKEIMU-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP CC(C)CCC[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000338418230 386001207 /nfs/dbraw/zinc/00/12/07/386001207.db2.gz HVAKLBFEECDCGG-UHFFFAOYSA-N 2 1 240.435 3.277 20 0 BGADMP CC(C)CCC[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000338457335 386009030 /nfs/dbraw/zinc/00/90/30/386009030.db2.gz SZEGARNDVPJABW-HNNXBMFYSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CCC[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000338457339 386008824 /nfs/dbraw/zinc/00/88/24/386008824.db2.gz SZEGARNDVPJABW-OAHLLOKOSA-N 2 1 240.435 3.133 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+]CCC1CCCCC1 ZINC000338955376 180245847 /nfs/dbraw/zinc/24/58/47/180245847.db2.gz NGQHAYZYLVPKNB-UHFFFAOYSA-N 2 1 249.402 3.142 20 0 BGADMP CC(C)c1nccn1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000339115736 386256534 /nfs/dbraw/zinc/25/65/34/386256534.db2.gz HULZESWYKCISDH-AWEZNQCLSA-N 2 1 249.402 3.269 20 0 BGADMP CC(C)c1nccn1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000339115738 386256630 /nfs/dbraw/zinc/25/66/30/386256630.db2.gz HULZESWYKCISDH-CQSZACIVSA-N 2 1 249.402 3.269 20 0 BGADMP CCCC[N@@H+](CCn1ccnc1)C1CCCCC1 ZINC000339794900 386642370 /nfs/dbraw/zinc/64/23/70/386642370.db2.gz ATQJHDIBDBPJKX-UHFFFAOYSA-N 2 1 249.402 3.318 20 0 BGADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340166525 167012004 /nfs/dbraw/zinc/01/20/04/167012004.db2.gz QMYMIRGOIPLPDX-CVEARBPZSA-N 2 1 246.398 3.068 20 0 BGADMP CC(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340166525 167012002 /nfs/dbraw/zinc/01/20/02/167012002.db2.gz QMYMIRGOIPLPDX-CVEARBPZSA-N 2 1 246.398 3.068 20 0 BGADMP CC(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340166983 167015029 /nfs/dbraw/zinc/01/50/29/167015029.db2.gz QMYMIRGOIPLPDX-HOTGVXAUSA-N 2 1 246.398 3.068 20 0 BGADMP CC(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340166983 167015027 /nfs/dbraw/zinc/01/50/27/167015027.db2.gz QMYMIRGOIPLPDX-HOTGVXAUSA-N 2 1 246.398 3.068 20 0 BGADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340166985 167012028 /nfs/dbraw/zinc/01/20/28/167012028.db2.gz QMYMIRGOIPLPDX-HZPDHXFCSA-N 2 1 246.398 3.068 20 0 BGADMP CC(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340166985 167012027 /nfs/dbraw/zinc/01/20/27/167012027.db2.gz QMYMIRGOIPLPDX-HZPDHXFCSA-N 2 1 246.398 3.068 20 0 BGADMP CC(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340166987 167015037 /nfs/dbraw/zinc/01/50/37/167015037.db2.gz QMYMIRGOIPLPDX-JKSUJKDBSA-N 2 1 246.398 3.068 20 0 BGADMP CC(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340166987 167015035 /nfs/dbraw/zinc/01/50/35/167015035.db2.gz QMYMIRGOIPLPDX-JKSUJKDBSA-N 2 1 246.398 3.068 20 0 BGADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340177869 171348595 /nfs/dbraw/zinc/34/85/95/171348595.db2.gz MEFLQPUCBRPBAG-BPUTZDHNSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340177869 171348593 /nfs/dbraw/zinc/34/85/93/171348593.db2.gz MEFLQPUCBRPBAG-BPUTZDHNSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340177870 171348976 /nfs/dbraw/zinc/34/89/76/171348976.db2.gz MEFLQPUCBRPBAG-CWRNSKLLSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340177870 171348975 /nfs/dbraw/zinc/34/89/75/171348975.db2.gz MEFLQPUCBRPBAG-CWRNSKLLSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340177871 171347545 /nfs/dbraw/zinc/34/75/45/171347545.db2.gz MEFLQPUCBRPBAG-IMJJTQAJSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340177871 171347544 /nfs/dbraw/zinc/34/75/44/171347544.db2.gz MEFLQPUCBRPBAG-IMJJTQAJSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340178531 171347035 /nfs/dbraw/zinc/34/70/35/171347035.db2.gz MEFLQPUCBRPBAG-NUEKZKHPSA-N 2 1 246.398 3.210 20 0 BGADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340178531 171347031 /nfs/dbraw/zinc/34/70/31/171347031.db2.gz MEFLQPUCBRPBAG-NUEKZKHPSA-N 2 1 246.398 3.210 20 0 BGADMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(C)C ZINC000340286017 386206731 /nfs/dbraw/zinc/20/67/31/386206731.db2.gz KHYXARCFKKAWAH-LSDHHAIUSA-N 2 1 240.435 3.226 20 0 BGADMP CC(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)CC(C)C ZINC000340368817 352258096 /nfs/dbraw/zinc/25/80/96/352258096.db2.gz CTSKLQXQCCFXRJ-HNNXBMFYSA-N 2 1 240.435 3.085 20 0 BGADMP CC(C)C[NH+](CC[C@H]1CCC[N@H+]1C)CC(C)C ZINC000340368821 352258337 /nfs/dbraw/zinc/25/83/37/352258337.db2.gz CTSKLQXQCCFXRJ-OAHLLOKOSA-N 2 1 240.435 3.085 20 0 BGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)CCCn2ccnc2)C1 ZINC000341120447 176137299 /nfs/dbraw/zinc/13/72/99/176137299.db2.gz CQEPBHWCGANXSH-CABCVRRESA-N 2 1 249.402 3.031 20 0 BGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)CCCn2ccnc2)C1 ZINC000341120449 176117504 /nfs/dbraw/zinc/11/75/04/176117504.db2.gz CQEPBHWCGANXSH-HUUCEWRRSA-N 2 1 249.402 3.031 20 0 BGADMP CC/C=C\CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000341316312 365516912 /nfs/dbraw/zinc/51/69/12/365516912.db2.gz JBYCPUMZYLOVLX-AZJURWTESA-N 2 1 238.419 3.005 20 0 BGADMP CC/C=C\CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000341316312 365516908 /nfs/dbraw/zinc/51/69/08/365516908.db2.gz JBYCPUMZYLOVLX-AZJURWTESA-N 2 1 238.419 3.005 20 0 BGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000341316312 365516905 /nfs/dbraw/zinc/51/69/05/365516905.db2.gz JBYCPUMZYLOVLX-AZJURWTESA-N 2 1 238.419 3.005 20 0 BGADMP CC/C=C\CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000341316313 365516148 /nfs/dbraw/zinc/51/61/48/365516148.db2.gz JBYCPUMZYLOVLX-PRQMKSPXSA-N 2 1 238.419 3.005 20 0 BGADMP CC/C=C\CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000341316313 365516140 /nfs/dbraw/zinc/51/61/40/365516140.db2.gz JBYCPUMZYLOVLX-PRQMKSPXSA-N 2 1 238.419 3.005 20 0 BGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000341316313 365516135 /nfs/dbraw/zinc/51/61/35/365516135.db2.gz JBYCPUMZYLOVLX-PRQMKSPXSA-N 2 1 238.419 3.005 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)C)C[C@@H]1C ZINC000341893701 170019506 /nfs/dbraw/zinc/01/95/06/170019506.db2.gz SEQQJHDAZBQSDS-KBPBESRZSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)C)C[C@@H]1C ZINC000341893701 170019505 /nfs/dbraw/zinc/01/95/05/170019505.db2.gz SEQQJHDAZBQSDS-KBPBESRZSA-N 2 1 240.435 3.227 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C)C[C@@H]1C ZINC000341893701 170019504 /nfs/dbraw/zinc/01/95/04/170019504.db2.gz SEQQJHDAZBQSDS-KBPBESRZSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)C)C[C@H]1C ZINC000341893702 170017995 /nfs/dbraw/zinc/01/79/95/170017995.db2.gz SEQQJHDAZBQSDS-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)C)C[C@H]1C ZINC000341893702 170017994 /nfs/dbraw/zinc/01/79/94/170017994.db2.gz SEQQJHDAZBQSDS-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C)C[C@H]1C ZINC000341893702 170017993 /nfs/dbraw/zinc/01/79/93/170017993.db2.gz SEQQJHDAZBQSDS-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C[C@@H]1C ZINC000341893703 170009673 /nfs/dbraw/zinc/00/96/73/170009673.db2.gz SEQQJHDAZBQSDS-UONOGXRCSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)C)C[C@@H]1C ZINC000341893703 170009672 /nfs/dbraw/zinc/00/96/72/170009672.db2.gz SEQQJHDAZBQSDS-UONOGXRCSA-N 2 1 240.435 3.227 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C)C[C@@H]1C ZINC000341893703 170009670 /nfs/dbraw/zinc/00/96/70/170009670.db2.gz SEQQJHDAZBQSDS-UONOGXRCSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C[C@H]1C ZINC000341893704 170009286 /nfs/dbraw/zinc/00/92/86/170009286.db2.gz SEQQJHDAZBQSDS-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)C)C[C@H]1C ZINC000341893704 170009285 /nfs/dbraw/zinc/00/92/85/170009285.db2.gz SEQQJHDAZBQSDS-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C)C[C@H]1C ZINC000341893704 170009284 /nfs/dbraw/zinc/00/92/84/170009284.db2.gz SEQQJHDAZBQSDS-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(C)(C)C)CC1 ZINC000341894839 386996527 /nfs/dbraw/zinc/99/65/27/386996527.db2.gz JTJYUSVLHGEJLM-UHFFFAOYSA-N 2 1 240.435 3.227 20 0 BGADMP CC/C=C\CC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000342181485 365537916 /nfs/dbraw/zinc/53/79/16/365537916.db2.gz BQIKJUJIWPPYTG-IDTUSYRASA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C\CC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000342181485 365537910 /nfs/dbraw/zinc/53/79/10/365537910.db2.gz BQIKJUJIWPPYTG-IDTUSYRASA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C\CC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000342181485 365537902 /nfs/dbraw/zinc/53/79/02/365537902.db2.gz BQIKJUJIWPPYTG-IDTUSYRASA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C\CC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000342181486 365538201 /nfs/dbraw/zinc/53/82/01/365538201.db2.gz BQIKJUJIWPPYTG-XHPSBEMXSA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C\CC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000342181486 365538200 /nfs/dbraw/zinc/53/82/00/365538200.db2.gz BQIKJUJIWPPYTG-XHPSBEMXSA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C\CC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000342181486 365538198 /nfs/dbraw/zinc/53/81/98/365538198.db2.gz BQIKJUJIWPPYTG-XHPSBEMXSA-N 2 1 238.419 3.006 20 0 BGADMP CC/C=C\CC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000342196139 352739008 /nfs/dbraw/zinc/73/90/08/352739008.db2.gz DQHOLOMNZJARAY-SREVYHEPSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C\CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000342199709 343726070 /nfs/dbraw/zinc/72/60/70/343726070.db2.gz KXMJVWBMKGAQLQ-IYKSTZQJSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C\CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000342199709 343726068 /nfs/dbraw/zinc/72/60/68/343726068.db2.gz KXMJVWBMKGAQLQ-IYKSTZQJSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C\CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000342199709 343726065 /nfs/dbraw/zinc/72/60/65/343726065.db2.gz KXMJVWBMKGAQLQ-IYKSTZQJSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C\CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000342199711 346557915 /nfs/dbraw/zinc/55/79/15/346557915.db2.gz KXMJVWBMKGAQLQ-YVACAVLKSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C\CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000342199711 346557912 /nfs/dbraw/zinc/55/79/12/346557912.db2.gz KXMJVWBMKGAQLQ-YVACAVLKSA-N 2 1 238.419 3.149 20 0 BGADMP CC/C=C\CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000342205160 385957231 /nfs/dbraw/zinc/95/72/31/385957231.db2.gz FQWZKWAPGPFIDY-SREVYHEPSA-N 2 1 238.419 3.147 20 0 BGADMP CC/C=C/CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000342205161 187356885 /nfs/dbraw/zinc/35/68/85/187356885.db2.gz FQWZKWAPGPFIDY-VOTSOKGWSA-N 2 1 238.419 3.147 20 0 BGADMP CC/C=C\CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000342216984 385959366 /nfs/dbraw/zinc/95/93/66/385959366.db2.gz NZXARPQRVLFDTA-AZJURWTESA-N 2 1 238.419 3.147 20 0 BGADMP CC/C=C\CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000342216984 385959361 /nfs/dbraw/zinc/95/93/61/385959361.db2.gz NZXARPQRVLFDTA-AZJURWTESA-N 2 1 238.419 3.147 20 0 BGADMP CC/C=C/CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000342216987 385960854 /nfs/dbraw/zinc/96/08/54/385960854.db2.gz NZXARPQRVLFDTA-FHFZEBMASA-N 2 1 238.419 3.147 20 0 BGADMP CC/C=C/CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000342216987 385960850 /nfs/dbraw/zinc/96/08/50/385960850.db2.gz NZXARPQRVLFDTA-FHFZEBMASA-N 2 1 238.419 3.147 20 0 BGADMP CC/C=C/CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000342216989 385959183 /nfs/dbraw/zinc/95/91/83/385959183.db2.gz NZXARPQRVLFDTA-MHKRFPNSSA-N 2 1 238.419 3.147 20 0 BGADMP CC/C=C/CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000342216989 385959180 /nfs/dbraw/zinc/95/91/80/385959180.db2.gz NZXARPQRVLFDTA-MHKRFPNSSA-N 2 1 238.419 3.147 20 0 BGADMP CC/C=C\CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000342216991 385958845 /nfs/dbraw/zinc/95/88/45/385958845.db2.gz NZXARPQRVLFDTA-PRQMKSPXSA-N 2 1 238.419 3.147 20 0 BGADMP CC/C=C\CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000342216991 385958830 /nfs/dbraw/zinc/95/88/30/385958830.db2.gz NZXARPQRVLFDTA-PRQMKSPXSA-N 2 1 238.419 3.147 20 0 BGADMP CCCCC[N@@H+](CCn1cc[nH+]c1C)C(C)C ZINC000342546450 535043577 /nfs/dbraw/zinc/04/35/77/535043577.db2.gz JDEVICXDIAFRRE-UHFFFAOYSA-N 2 1 237.391 3.092 20 0 BGADMP CCCCC[N@H+](CCn1cc[nH+]c1C)C(C)C ZINC000342546450 535043569 /nfs/dbraw/zinc/04/35/69/535043569.db2.gz JDEVICXDIAFRRE-UHFFFAOYSA-N 2 1 237.391 3.092 20 0 BGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCC1(C)C ZINC000342603322 135302203 /nfs/dbraw/zinc/30/22/03/135302203.db2.gz XJHCQNYVTZUZTP-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCC1(C)C ZINC000342603327 135302101 /nfs/dbraw/zinc/30/21/01/135302101.db2.gz XJHCQNYVTZUZTP-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC1(C)C ZINC000342603331 135302142 /nfs/dbraw/zinc/30/21/42/135302142.db2.gz XJHCQNYVTZUZTP-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC1(C)C ZINC000342603336 135302195 /nfs/dbraw/zinc/30/21/95/135302195.db2.gz XJHCQNYVTZUZTP-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCC1CC([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000342620834 135296497 /nfs/dbraw/zinc/29/64/97/135296497.db2.gz ARDPRMTVDKBJKI-DNDYEEKYSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000342620834 135296496 /nfs/dbraw/zinc/29/64/96/135296496.db2.gz ARDPRMTVDKBJKI-DNDYEEKYSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CC([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000342620835 135297084 /nfs/dbraw/zinc/29/70/84/135297084.db2.gz ARDPRMTVDKBJKI-HESLUPGFSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000342620835 135297082 /nfs/dbraw/zinc/29/70/82/135297082.db2.gz ARDPRMTVDKBJKI-HESLUPGFSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000342620836 135296900 /nfs/dbraw/zinc/29/69/00/135296900.db2.gz ARDPRMTVDKBJKI-LMRVLLHPSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000342620836 135296898 /nfs/dbraw/zinc/29/68/98/135296898.db2.gz ARDPRMTVDKBJKI-LMRVLLHPSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000342620837 135296928 /nfs/dbraw/zinc/29/69/28/135296928.db2.gz ARDPRMTVDKBJKI-ZUJMUWTESA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000342620837 135296927 /nfs/dbraw/zinc/29/69/27/135296927.db2.gz ARDPRMTVDKBJKI-ZUJMUWTESA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000342674354 135304056 /nfs/dbraw/zinc/30/40/56/135304056.db2.gz ULDZUEXZRWGUPR-NFOMZHRRSA-N 2 1 238.419 3.029 20 0 BGADMP CCC1CC([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000342674355 135304096 /nfs/dbraw/zinc/30/40/96/135304096.db2.gz ULDZUEXZRWGUPR-WLYUNCDWSA-N 2 1 238.419 3.029 20 0 BGADMP CCC1CC([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000342678358 135303933 /nfs/dbraw/zinc/30/39/33/135303933.db2.gz YHYDWKRAGCVNFT-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CCC1CC([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000342690069 135305247 /nfs/dbraw/zinc/30/52/47/135305247.db2.gz YBVUMMYYSRMKHZ-DGKWVBSXSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CC([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000342690069 135305245 /nfs/dbraw/zinc/30/52/45/135305245.db2.gz YBVUMMYYSRMKHZ-DGKWVBSXSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CC([NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000342690070 135305825 /nfs/dbraw/zinc/30/58/25/135305825.db2.gz YBVUMMYYSRMKHZ-HESLUPGFSA-N 2 1 238.419 3.028 20 0 BGADMP CCC1CC([NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000342690071 135305257 /nfs/dbraw/zinc/30/52/57/135305257.db2.gz YBVUMMYYSRMKHZ-LMRVLLHPSA-N 2 1 238.419 3.028 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC(C)(C)CC1 ZINC000342858272 352877604 /nfs/dbraw/zinc/87/76/04/352877604.db2.gz CTKVXPSJVGWHTN-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC(C)(C)CC1 ZINC000342858272 352877599 /nfs/dbraw/zinc/87/75/99/352877599.db2.gz CTKVXPSJVGWHTN-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1CC(C)C ZINC000342859300 352878629 /nfs/dbraw/zinc/87/86/29/352878629.db2.gz IISFZRMPBKINJP-HNNXBMFYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1CC(C)C ZINC000342859300 352878626 /nfs/dbraw/zinc/87/86/26/352878626.db2.gz IISFZRMPBKINJP-HNNXBMFYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000342859301 352878609 /nfs/dbraw/zinc/87/86/09/352878609.db2.gz IISFZRMPBKINJP-OAHLLOKOSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1CC(C)C ZINC000342859301 352878605 /nfs/dbraw/zinc/87/86/05/352878605.db2.gz IISFZRMPBKINJP-OAHLLOKOSA-N 2 1 249.402 3.092 20 0 BGADMP CCC1(C)CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000342859342 352878795 /nfs/dbraw/zinc/87/87/95/352878795.db2.gz IVTSKYZWLIPYFM-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000342861259 352879450 /nfs/dbraw/zinc/87/94/50/352879450.db2.gz VPJYPQWZDZNPPV-KBPBESRZSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000342861259 352879447 /nfs/dbraw/zinc/87/94/47/352879447.db2.gz VPJYPQWZDZNPPV-KBPBESRZSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000342861260 352879560 /nfs/dbraw/zinc/87/95/60/352879560.db2.gz VPJYPQWZDZNPPV-KGLIPLIRSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000342861260 352879555 /nfs/dbraw/zinc/87/95/55/352879555.db2.gz VPJYPQWZDZNPPV-KGLIPLIRSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000342861261 352879367 /nfs/dbraw/zinc/87/93/67/352879367.db2.gz VPJYPQWZDZNPPV-UONOGXRCSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000342861261 352879365 /nfs/dbraw/zinc/87/93/65/352879365.db2.gz VPJYPQWZDZNPPV-UONOGXRCSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000342861262 352879426 /nfs/dbraw/zinc/87/94/26/352879426.db2.gz VPJYPQWZDZNPPV-ZIAGYGMSSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000342861262 352879423 /nfs/dbraw/zinc/87/94/23/352879423.db2.gz VPJYPQWZDZNPPV-ZIAGYGMSSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCC(C)CC1 ZINC000342862936 352880985 /nfs/dbraw/zinc/88/09/85/352880985.db2.gz DZIDECXUGQCQJI-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCC(C)CC1 ZINC000342862936 352880982 /nfs/dbraw/zinc/88/09/82/352880982.db2.gz DZIDECXUGQCQJI-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP CCC1(CC)CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000342864757 352881337 /nfs/dbraw/zinc/88/13/37/352881337.db2.gz QHTKJTZSOBTVSM-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CCC1(CC)CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000342864757 352881336 /nfs/dbraw/zinc/88/13/36/352881336.db2.gz QHTKJTZSOBTVSM-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CCC1(CC)CC[N@@H+](CCCn2ccnc2C)C1 ZINC000342864757 352881335 /nfs/dbraw/zinc/88/13/35/352881335.db2.gz QHTKJTZSOBTVSM-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000342865017 352881811 /nfs/dbraw/zinc/88/18/11/352881811.db2.gz SBLAANYFQAZFBB-AWEZNQCLSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000342865017 352881807 /nfs/dbraw/zinc/88/18/07/352881807.db2.gz SBLAANYFQAZFBB-AWEZNQCLSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CCC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000342865017 352881802 /nfs/dbraw/zinc/88/18/02/352881802.db2.gz SBLAANYFQAZFBB-AWEZNQCLSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000342865019 352881607 /nfs/dbraw/zinc/88/16/07/352881607.db2.gz SBLAANYFQAZFBB-CQSZACIVSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000342865019 352881604 /nfs/dbraw/zinc/88/16/04/352881604.db2.gz SBLAANYFQAZFBB-CQSZACIVSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CCC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000342865019 352881601 /nfs/dbraw/zinc/88/16/01/352881601.db2.gz SBLAANYFQAZFBB-CQSZACIVSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000342865046 352881529 /nfs/dbraw/zinc/88/15/29/352881529.db2.gz SIQSZLDQQSCMEK-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000342865046 352881528 /nfs/dbraw/zinc/88/15/28/352881528.db2.gz SIQSZLDQQSCMEK-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000342865046 352881524 /nfs/dbraw/zinc/88/15/24/352881524.db2.gz SIQSZLDQQSCMEK-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000342865048 352881561 /nfs/dbraw/zinc/88/15/61/352881561.db2.gz SIQSZLDQQSCMEK-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000342865048 352881557 /nfs/dbraw/zinc/88/15/57/352881557.db2.gz SIQSZLDQQSCMEK-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000342865048 352881555 /nfs/dbraw/zinc/88/15/55/352881555.db2.gz SIQSZLDQQSCMEK-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000342865050 352881992 /nfs/dbraw/zinc/88/19/92/352881992.db2.gz SIQSZLDQQSCMEK-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000342865050 352881989 /nfs/dbraw/zinc/88/19/89/352881989.db2.gz SIQSZLDQQSCMEK-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000342865050 352881984 /nfs/dbraw/zinc/88/19/84/352881984.db2.gz SIQSZLDQQSCMEK-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000342865206 352881704 /nfs/dbraw/zinc/88/17/04/352881704.db2.gz SIQSZLDQQSCMEK-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000342865206 352881700 /nfs/dbraw/zinc/88/17/00/352881700.db2.gz SIQSZLDQQSCMEK-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CCC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000342865206 352881698 /nfs/dbraw/zinc/88/16/98/352881698.db2.gz SIQSZLDQQSCMEK-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP CC[N@@H+](CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000342866318 352882476 /nfs/dbraw/zinc/88/24/76/352882476.db2.gz ZIMKUOGFNOJBNQ-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP CC[N@H+](CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000342866318 352882473 /nfs/dbraw/zinc/88/24/73/352882473.db2.gz ZIMKUOGFNOJBNQ-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP C[C@@H]1CCCCC[N@H+]1Cc1cccc2nccn21 ZINC000342944187 135338124 /nfs/dbraw/zinc/33/81/24/135338124.db2.gz RXKWBTFXRRDRRH-CYBMUJFWSA-N 2 1 243.354 3.099 20 0 BGADMP C[C@H]1CCCCC[N@H+]1Cc1cccc2nccn21 ZINC000342944191 135337749 /nfs/dbraw/zinc/33/77/49/135337749.db2.gz RXKWBTFXRRDRRH-ZDUSSCGKSA-N 2 1 243.354 3.099 20 0 BGADMP CC(C)C[N@@H+](CCCn1ccnc1)C1CCCC1 ZINC000343319723 353675119 /nfs/dbraw/zinc/67/51/19/353675119.db2.gz JAOLGHUYKIZUJI-UHFFFAOYSA-N 2 1 249.402 3.174 20 0 BGADMP CC[C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1CC ZINC000343443367 353889046 /nfs/dbraw/zinc/88/90/46/353889046.db2.gz AVTDLCJNBIAANT-GASCZTMLSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1CC ZINC000343443368 353889110 /nfs/dbraw/zinc/88/91/10/353889110.db2.gz AVTDLCJNBIAANT-GJZGRUSLSA-N 2 1 238.419 3.125 20 0 BGADMP CC[C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1CC ZINC000343443369 353889670 /nfs/dbraw/zinc/88/96/70/353889670.db2.gz AVTDLCJNBIAANT-HUUCEWRRSA-N 2 1 238.419 3.125 20 0 BGADMP CCC[NH+](CCC[N@H+](CCC)C1CC1)C1CC1 ZINC000343450676 353892824 /nfs/dbraw/zinc/89/28/24/353892824.db2.gz OHEUMNXCOQIJBB-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP CC[NH+](CCC[N@H+](CC)C1CCC1)C1CCC1 ZINC000343784537 353990876 /nfs/dbraw/zinc/99/08/76/353990876.db2.gz QRTBDEVLBZISOE-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP Cc1cc[nH+]c(NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000343788727 353994300 /nfs/dbraw/zinc/99/43/00/353994300.db2.gz BDVZHXHPUHSPBW-AWEZNQCLSA-N 2 1 247.386 3.066 20 0 BGADMP Cc1cc[nH+]c(NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000343788729 353994408 /nfs/dbraw/zinc/99/44/08/353994408.db2.gz BDVZHXHPUHSPBW-CQSZACIVSA-N 2 1 247.386 3.066 20 0 BGADMP CCC(CC)[N@@H+](CC)CCCn1cc[nH+]c1C ZINC000344019761 354082202 /nfs/dbraw/zinc/08/22/02/354082202.db2.gz FZMPBJFPYZRZQF-UHFFFAOYSA-N 2 1 237.391 3.092 20 0 BGADMP CCC(CC)[N@H+](CC)CCCn1cc[nH+]c1C ZINC000344019761 354082200 /nfs/dbraw/zinc/08/22/00/354082200.db2.gz FZMPBJFPYZRZQF-UHFFFAOYSA-N 2 1 237.391 3.092 20 0 BGADMP CCC(CC)[N@@H+](CC)CCCn1ccnc1C ZINC000344019761 354082197 /nfs/dbraw/zinc/08/21/97/354082197.db2.gz FZMPBJFPYZRZQF-UHFFFAOYSA-N 2 1 237.391 3.092 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000344129247 354147917 /nfs/dbraw/zinc/14/79/17/354147917.db2.gz XJOLPGGTUBPXOD-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000344129247 354147913 /nfs/dbraw/zinc/14/79/13/354147913.db2.gz XJOLPGGTUBPXOD-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000344129248 354147330 /nfs/dbraw/zinc/14/73/30/354147330.db2.gz XJOLPGGTUBPXOD-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000344129248 354147328 /nfs/dbraw/zinc/14/73/28/354147328.db2.gz XJOLPGGTUBPXOD-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000344129249 354147732 /nfs/dbraw/zinc/14/77/32/354147732.db2.gz XJOLPGGTUBPXOD-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000344129249 354147730 /nfs/dbraw/zinc/14/77/30/354147730.db2.gz XJOLPGGTUBPXOD-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000344129250 354147708 /nfs/dbraw/zinc/14/77/08/354147708.db2.gz XJOLPGGTUBPXOD-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000344129250 354147705 /nfs/dbraw/zinc/14/77/05/354147705.db2.gz XJOLPGGTUBPXOD-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C[C@@H](C)CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344290562 365676674 /nfs/dbraw/zinc/67/66/74/365676674.db2.gz MBRVSNSEAQMPNC-DZGCQCFKSA-N 2 1 238.419 3.053 20 0 BGADMP CC[C@@H](C)C[C@H](CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344290563 365676638 /nfs/dbraw/zinc/67/66/38/365676638.db2.gz MBRVSNSEAQMPNC-HIFRSBDPSA-N 2 1 238.419 3.053 20 0 BGADMP CC[C@@H](C)C[C@@H](CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344290564 365676823 /nfs/dbraw/zinc/67/68/23/365676823.db2.gz MBRVSNSEAQMPNC-UKRRQHHQSA-N 2 1 238.419 3.053 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344290566 365676724 /nfs/dbraw/zinc/67/67/24/365676724.db2.gz MBRVSNSEAQMPNC-ZFWWWQNUSA-N 2 1 238.419 3.053 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344297220 354210780 /nfs/dbraw/zinc/21/07/80/354210780.db2.gz AVNRGJRUOPYZIA-AWEZNQCLSA-N 2 1 238.419 3.053 20 0 BGADMP CC(C)CCC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344297222 354210629 /nfs/dbraw/zinc/21/06/29/354210629.db2.gz AVNRGJRUOPYZIA-CQSZACIVSA-N 2 1 238.419 3.053 20 0 BGADMP C[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344739914 136232172 /nfs/dbraw/zinc/23/21/72/136232172.db2.gz FQFBAWWXAIWBFV-IPYPFGDCSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344739914 136232171 /nfs/dbraw/zinc/23/21/71/136232171.db2.gz FQFBAWWXAIWBFV-IPYPFGDCSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344739916 136232226 /nfs/dbraw/zinc/23/22/26/136232226.db2.gz FQFBAWWXAIWBFV-NFAWXSAZSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344739916 136232225 /nfs/dbraw/zinc/23/22/25/136232225.db2.gz FQFBAWWXAIWBFV-NFAWXSAZSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344739918 136232207 /nfs/dbraw/zinc/23/22/07/136232207.db2.gz FQFBAWWXAIWBFV-UMVBOHGHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344739918 136232206 /nfs/dbraw/zinc/23/22/06/136232206.db2.gz FQFBAWWXAIWBFV-UMVBOHGHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344739920 136232182 /nfs/dbraw/zinc/23/21/82/136232182.db2.gz FQFBAWWXAIWBFV-VNHYZAJKSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344739920 136232181 /nfs/dbraw/zinc/23/21/81/136232181.db2.gz FQFBAWWXAIWBFV-VNHYZAJKSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC[N@H+](CC[NH3+])[C@@H](CC)c1ccccc1 ZINC000345561982 354693003 /nfs/dbraw/zinc/69/30/03/354693003.db2.gz VZQRVKWBAJOYOV-HNNXBMFYSA-N 2 1 234.387 3.199 20 0 BGADMP CCCC[N@@H+](CCN)[C@@H](CC)c1ccccc1 ZINC000345561982 354693000 /nfs/dbraw/zinc/69/30/00/354693000.db2.gz VZQRVKWBAJOYOV-HNNXBMFYSA-N 2 1 234.387 3.199 20 0 BGADMP CCCC[N@H+](CC[NH3+])[C@H](CC)c1ccccc1 ZINC000345561984 354692982 /nfs/dbraw/zinc/69/29/82/354692982.db2.gz VZQRVKWBAJOYOV-OAHLLOKOSA-N 2 1 234.387 3.199 20 0 BGADMP CCCC[N@@H+](CCN)[C@H](CC)c1ccccc1 ZINC000345561984 354692979 /nfs/dbraw/zinc/69/29/79/354692979.db2.gz VZQRVKWBAJOYOV-OAHLLOKOSA-N 2 1 234.387 3.199 20 0 BGADMP Cc1[nH+]ccn1CC[N@H+](C(C)C)C1CCCCC1 ZINC000346202122 180247557 /nfs/dbraw/zinc/24/75/57/180247557.db2.gz XMYPAHFXPXOMII-UHFFFAOYSA-N 2 1 249.402 3.235 20 0 BGADMP Cc1[nH+]ccn1CC[N@@H+](C(C)C)C1CCCCC1 ZINC000346202122 180247554 /nfs/dbraw/zinc/24/75/54/180247554.db2.gz XMYPAHFXPXOMII-UHFFFAOYSA-N 2 1 249.402 3.235 20 0 BGADMP CCCC[NH+](CCCC)CCn1cc[nH+]c1C ZINC000346244508 386191041 /nfs/dbraw/zinc/19/10/41/386191041.db2.gz UDOAFMJXTBSDMO-UHFFFAOYSA-N 2 1 237.391 3.094 20 0 BGADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CCn1ccnc1C ZINC000346260567 354882978 /nfs/dbraw/zinc/88/29/78/354882978.db2.gz WHAOSJNRELHMND-AWEZNQCLSA-N 2 1 249.402 3.092 20 0 BGADMP CCC(C)(C)[C@H]1CCC[N@H+]1CCn1ccnc1C ZINC000346260568 354883006 /nfs/dbraw/zinc/88/30/06/354883006.db2.gz WHAOSJNRELHMND-CQSZACIVSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCC1CCCCC1 ZINC000346275318 180252191 /nfs/dbraw/zinc/25/21/91/180252191.db2.gz JQESXGVYOXCUSD-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CC[N@H+](C)CCC1CCCCC1 ZINC000346275318 180252190 /nfs/dbraw/zinc/25/21/90/180252190.db2.gz JQESXGVYOXCUSD-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CC[N@H+](CC(C)C)C1CCCC1 ZINC000346284937 180250340 /nfs/dbraw/zinc/25/03/40/180250340.db2.gz ZKLZMUQUQXORNH-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CC[N@@H+](CC(C)C)C1CCCC1 ZINC000346284937 180250339 /nfs/dbraw/zinc/25/03/39/180250339.db2.gz ZKLZMUQUQXORNH-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CC[N@H+](C)C1CCC(C)(C)CC1 ZINC000346298085 180247033 /nfs/dbraw/zinc/24/70/33/180247033.db2.gz ANROBIYKHHYYNC-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000346298085 180247027 /nfs/dbraw/zinc/24/70/27/180247027.db2.gz ANROBIYKHHYYNC-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H](C)[C@@H](C)[N@@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000346307965 354891892 /nfs/dbraw/zinc/89/18/92/354891892.db2.gz KESMSTFAKQKXFC-CHWSQXEVSA-N 2 1 249.402 3.091 20 0 BGADMP CC[C@@H](C)[C@@H](C)[N@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000346307965 354891890 /nfs/dbraw/zinc/89/18/90/354891890.db2.gz KESMSTFAKQKXFC-CHWSQXEVSA-N 2 1 249.402 3.091 20 0 BGADMP CC[C@@H](C)[C@H](C)[N@@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000346307967 354892438 /nfs/dbraw/zinc/89/24/38/354892438.db2.gz KESMSTFAKQKXFC-OLZOCXBDSA-N 2 1 249.402 3.091 20 0 BGADMP CC[C@@H](C)[C@H](C)[N@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000346307967 354892436 /nfs/dbraw/zinc/89/24/36/354892436.db2.gz KESMSTFAKQKXFC-OLZOCXBDSA-N 2 1 249.402 3.091 20 0 BGADMP CC[C@H](C)[C@@H](C)[N@@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000346307968 354891782 /nfs/dbraw/zinc/89/17/82/354891782.db2.gz KESMSTFAKQKXFC-QWHCGFSZSA-N 2 1 249.402 3.091 20 0 BGADMP CC[C@H](C)[C@@H](C)[N@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000346307968 354891780 /nfs/dbraw/zinc/89/17/80/354891780.db2.gz KESMSTFAKQKXFC-QWHCGFSZSA-N 2 1 249.402 3.091 20 0 BGADMP CC[C@H](C)[C@H](C)[N@@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000346307970 354891909 /nfs/dbraw/zinc/89/19/09/354891909.db2.gz KESMSTFAKQKXFC-STQMWFEESA-N 2 1 249.402 3.091 20 0 BGADMP CC[C@H](C)[C@H](C)[N@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000346307970 354891905 /nfs/dbraw/zinc/89/19/05/354891905.db2.gz KESMSTFAKQKXFC-STQMWFEESA-N 2 1 249.402 3.091 20 0 BGADMP CCC1CCC([N@@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000346315515 354894294 /nfs/dbraw/zinc/89/42/94/354894294.db2.gz SRNIIKLYFXTTFJ-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP CCC1CCC([N@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000346315515 354894290 /nfs/dbraw/zinc/89/42/90/354894290.db2.gz SRNIIKLYFXTTFJ-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)[NH+]1CCCC1 ZINC000346494240 354959431 /nfs/dbraw/zinc/95/94/31/354959431.db2.gz TYBPCDKHEJJAMG-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)[NH+]1CCCC1 ZINC000346494244 354959510 /nfs/dbraw/zinc/95/95/10/354959510.db2.gz TYBPCDKHEJJAMG-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C[NH2+][C@H]1CCC(C)(C)C1)[NH+]1CCCC1 ZINC000346494247 354959632 /nfs/dbraw/zinc/95/96/32/354959632.db2.gz TYBPCDKHEJJAMG-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)[NH+]1CCCC1 ZINC000346494251 354960398 /nfs/dbraw/zinc/96/03/98/354960398.db2.gz TYBPCDKHEJJAMG-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CCC1CC1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000346548223 354984124 /nfs/dbraw/zinc/98/41/24/354984124.db2.gz RYHACGCFQTYXBF-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](CCC1CC1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000346548225 354984159 /nfs/dbraw/zinc/98/41/59/354984159.db2.gz RYHACGCFQTYXBF-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000346560856 354968672 /nfs/dbraw/zinc/96/86/72/354968672.db2.gz MYILVJWJWNXGSO-AWEZNQCLSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346560860 354968567 /nfs/dbraw/zinc/96/85/67/354968567.db2.gz MYILVJWJWNXGSO-CQSZACIVSA-N 2 1 249.402 3.140 20 0 BGADMP CC[NH+](CC(C)C[N@H+](CC)C(C)C)C(C)C ZINC000346649482 355018765 /nfs/dbraw/zinc/01/87/65/355018765.db2.gz UFQJQYQEUGSMSH-UHFFFAOYSA-N 2 1 228.424 3.083 20 0 BGADMP CC[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000346662367 355005430 /nfs/dbraw/zinc/00/54/30/355005430.db2.gz BROATHFXJCGOJG-AWEZNQCLSA-N 2 1 248.414 3.097 20 0 BGADMP CC[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000346662371 355005846 /nfs/dbraw/zinc/00/58/46/355005846.db2.gz BROATHFXJCGOJG-CQSZACIVSA-N 2 1 248.414 3.097 20 0 BGADMP CCC[N@@H+](CC(C)(C)[NH3+])[C@H]1CCc2ccccc21 ZINC000346847483 355136810 /nfs/dbraw/zinc/13/68/10/355136810.db2.gz MTEBBVWJRDCOJO-HNNXBMFYSA-N 2 1 246.398 3.123 20 0 BGADMP CCC[N@@H+](CC(C)(C)[NH3+])[C@@H]1CCc2ccccc21 ZINC000346847486 355136761 /nfs/dbraw/zinc/13/67/61/355136761.db2.gz MTEBBVWJRDCOJO-OAHLLOKOSA-N 2 1 246.398 3.123 20 0 BGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CC(C)(C)[NH3+] ZINC000346848875 355137786 /nfs/dbraw/zinc/13/77/86/355137786.db2.gz OONHDSBCBXHGNA-AWEZNQCLSA-N 2 1 234.387 3.197 20 0 BGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CC(C)(C)[NH3+] ZINC000346848876 355137920 /nfs/dbraw/zinc/13/79/20/355137920.db2.gz OONHDSBCBXHGNA-CQSZACIVSA-N 2 1 234.387 3.197 20 0 BGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC(C)(C)[NH3+])cc1C ZINC000346851393 355137938 /nfs/dbraw/zinc/13/79/38/355137938.db2.gz JOHFKAYIIRZNNM-HNNXBMFYSA-N 2 1 246.398 3.178 20 0 BGADMP Cc1ccc([C@H]2CCC[N@H+]2CC(C)(C)[NH3+])cc1C ZINC000346851394 355137397 /nfs/dbraw/zinc/13/73/97/355137397.db2.gz JOHFKAYIIRZNNM-OAHLLOKOSA-N 2 1 246.398 3.178 20 0 BGADMP CC(C)([NH3+])C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000346853672 355139010 /nfs/dbraw/zinc/13/90/10/355139010.db2.gz MCORFAIOLZRIDG-UHFFFAOYSA-N 2 1 246.398 3.026 20 0 BGADMP Cc1ccc(C[N@@H+](CC(C)(C)[NH3+])C(C)C)s1 ZINC000346854467 355139114 /nfs/dbraw/zinc/13/91/14/355139114.db2.gz MXMYWWBXUAZZET-UHFFFAOYSA-N 2 1 240.416 3.004 20 0 BGADMP Cc1ccc(C[N@H+](CC(C)(C)[NH3+])C(C)C)s1 ZINC000346854467 355139110 /nfs/dbraw/zinc/13/91/10/355139110.db2.gz MXMYWWBXUAZZET-UHFFFAOYSA-N 2 1 240.416 3.004 20 0 BGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC(C)(C)[NH3+])c1C ZINC000346977119 355211705 /nfs/dbraw/zinc/21/17/05/355211705.db2.gz KBQMCBPPIWHQQA-HNNXBMFYSA-N 2 1 246.398 3.178 20 0 BGADMP Cc1cccc([C@H]2CCC[N@H+]2CC(C)(C)[NH3+])c1C ZINC000346977127 355211505 /nfs/dbraw/zinc/21/15/05/355211505.db2.gz KBQMCBPPIWHQQA-OAHLLOKOSA-N 2 1 246.398 3.178 20 0 BGADMP CCCCC[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000346977212 386203634 /nfs/dbraw/zinc/20/36/34/386203634.db2.gz KGHPAHFSQQGQKJ-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000346977219 355211933 /nfs/dbraw/zinc/21/19/33/355211933.db2.gz KGHPAHFSQQGQKJ-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP Cc1ccc(C[N@@H+](CC(C)(C)[NH3+])C2CC2)cc1C ZINC000346982250 355184606 /nfs/dbraw/zinc/18/46/06/355184606.db2.gz NRSNIULXCWWMKF-UHFFFAOYSA-N 2 1 246.398 3.005 20 0 BGADMP Cc1ccc(C[N@H+](CC(C)(C)[NH3+])C2CC2)cc1C ZINC000346982250 355184604 /nfs/dbraw/zinc/18/46/04/355184604.db2.gz NRSNIULXCWWMKF-UHFFFAOYSA-N 2 1 246.398 3.005 20 0 BGADMP CCCCC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000347000176 355198197 /nfs/dbraw/zinc/19/81/97/355198197.db2.gz YXIRZDWESIIJKH-CABCVRRESA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000347000178 355198020 /nfs/dbraw/zinc/19/80/20/355198020.db2.gz YXIRZDWESIIJKH-GJZGRUSLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000347000179 355198010 /nfs/dbraw/zinc/19/80/10/355198010.db2.gz YXIRZDWESIIJKH-HUUCEWRRSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000347000180 355198001 /nfs/dbraw/zinc/19/80/01/355198001.db2.gz YXIRZDWESIIJKH-LSDHHAIUSA-N 2 1 238.419 3.031 20 0 BGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(C)(C)[NH3+])c1 ZINC000347000725 355197816 /nfs/dbraw/zinc/19/78/16/355197816.db2.gz ZXKXOBSFKJGWSJ-HNNXBMFYSA-N 2 1 246.398 3.178 20 0 BGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(C)(C)[NH3+])c1 ZINC000347000726 355197775 /nfs/dbraw/zinc/19/77/75/355197775.db2.gz ZXKXOBSFKJGWSJ-OAHLLOKOSA-N 2 1 246.398 3.178 20 0 BGADMP CCC(CC)(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347119113 388522433 /nfs/dbraw/zinc/52/24/33/388522433.db2.gz YHRYGHOCFWMKSV-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1ccncc1CCC[N@H+](C)CC1CCC1 ZINC000347672547 355260886 /nfs/dbraw/zinc/26/08/86/355260886.db2.gz JOGNVSRITVWUTG-UHFFFAOYSA-N 2 1 232.371 3.055 20 0 BGADMP Cc1ccncc1CCC[N@@H+]1CCC[C@H](C)CC1 ZINC000347791363 136009819 /nfs/dbraw/zinc/00/98/19/136009819.db2.gz VREVDHDTDQKGMI-AWEZNQCLSA-N 2 1 246.398 3.445 20 0 BGADMP Cc1ccncc1CCC[N@@H+]1CCC[C@@H](C)CC1 ZINC000347791364 136009701 /nfs/dbraw/zinc/00/97/01/136009701.db2.gz VREVDHDTDQKGMI-CQSZACIVSA-N 2 1 246.398 3.445 20 0 BGADMP Cc1ccncc1CCC[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000347865995 136016342 /nfs/dbraw/zinc/01/63/42/136016342.db2.gz BVPHBXZMTIWSBV-DZGCQCFKSA-N 2 1 246.398 3.301 20 0 BGADMP Cc1ccncc1CCC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347866002 136016611 /nfs/dbraw/zinc/01/66/11/136016611.db2.gz BVPHBXZMTIWSBV-HIFRSBDPSA-N 2 1 246.398 3.301 20 0 BGADMP Cc1ccncc1CCC[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347866009 136016639 /nfs/dbraw/zinc/01/66/39/136016639.db2.gz BVPHBXZMTIWSBV-UKRRQHHQSA-N 2 1 246.398 3.301 20 0 BGADMP Cc1ccncc1CCC[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000347866016 136016774 /nfs/dbraw/zinc/01/67/74/136016774.db2.gz BVPHBXZMTIWSBV-ZFWWWQNUSA-N 2 1 246.398 3.301 20 0 BGADMP Cc1[nH+]ccn1CC[NH2+]CCC1CCCCCC1 ZINC000347906348 388524577 /nfs/dbraw/zinc/52/45/77/388524577.db2.gz OUSGDKLYVPWIAM-UHFFFAOYSA-N 2 1 249.402 3.142 20 0 BGADMP Cc1[nH+]ccn1CC[NH2+]CCCC1CCCCC1 ZINC000347913189 388524912 /nfs/dbraw/zinc/52/49/12/388524912.db2.gz XCIUENNTYMBTOW-UHFFFAOYSA-N 2 1 249.402 3.142 20 0 BGADMP CC[C@@H](C[NH2+]C[C@H](C)CC(C)C)[NH+]1CCCC1 ZINC000347925781 136018689 /nfs/dbraw/zinc/01/86/89/136018689.db2.gz RVWRBNNXKONSBN-CABCVRRESA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C[NH2+]C[C@@H](C)CC(C)C)[NH+]1CCCC1 ZINC000347925782 136018576 /nfs/dbraw/zinc/01/85/76/136018576.db2.gz RVWRBNNXKONSBN-GJZGRUSLSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C[NH2+]C[C@H](C)CC(C)C)[NH+]1CCCC1 ZINC000347925783 136018687 /nfs/dbraw/zinc/01/86/87/136018687.db2.gz RVWRBNNXKONSBN-HUUCEWRRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C[NH2+]C[C@@H](C)CC(C)C)[NH+]1CCCC1 ZINC000347925784 136018611 /nfs/dbraw/zinc/01/86/11/136018611.db2.gz RVWRBNNXKONSBN-LSDHHAIUSA-N 2 1 240.435 3.133 20 0 BGADMP Cc1ccncc1CCC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000347927070 136018559 /nfs/dbraw/zinc/01/85/59/136018559.db2.gz ZTBRKPIBEFGFLW-OKILXGFUSA-N 2 1 232.371 3.195 20 0 BGADMP CCCC[C@H]([NH2+]CCn1cc[nH+]c1C)C1CCC1 ZINC000347929907 136018500 /nfs/dbraw/zinc/01/85/00/136018500.db2.gz SLEWLGBKSOSXQY-HNNXBMFYSA-N 2 1 249.402 3.140 20 0 BGADMP CCCC[C@@H]([NH2+]CCn1cc[nH+]c1C)C1CCC1 ZINC000347929908 534934178 /nfs/dbraw/zinc/93/41/78/534934178.db2.gz SLEWLGBKSOSXQY-OAHLLOKOSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C(C)C ZINC000348049193 136030395 /nfs/dbraw/zinc/03/03/95/136030395.db2.gz PSFUUUKJINDFCU-HNNXBMFYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C(C)C ZINC000348049193 136030394 /nfs/dbraw/zinc/03/03/94/136030394.db2.gz PSFUUUKJINDFCU-HNNXBMFYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C(C)C ZINC000348049194 136030625 /nfs/dbraw/zinc/03/06/25/136030625.db2.gz PSFUUUKJINDFCU-OAHLLOKOSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C(C)C ZINC000348049194 136030624 /nfs/dbraw/zinc/03/06/24/136030624.db2.gz PSFUUUKJINDFCU-OAHLLOKOSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000348089590 136035148 /nfs/dbraw/zinc/03/51/48/136035148.db2.gz TVLIJDLPIAHBIF-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000348089591 535824751 /nfs/dbraw/zinc/82/47/51/535824751.db2.gz TVLIJDLPIAHBIF-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000348089592 535824760 /nfs/dbraw/zinc/82/47/60/535824760.db2.gz TVLIJDLPIAHBIF-RRFJBIMHSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000348089593 136035201 /nfs/dbraw/zinc/03/52/01/136035201.db2.gz TVLIJDLPIAHBIF-ZNMIVQPWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348171743 136042518 /nfs/dbraw/zinc/04/25/18/136042518.db2.gz VRYOXDSLTMYSGQ-CABCVRRESA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348171744 536076251 /nfs/dbraw/zinc/07/62/51/536076251.db2.gz VRYOXDSLTMYSGQ-GJZGRUSLSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348171746 136042531 /nfs/dbraw/zinc/04/25/31/136042531.db2.gz VRYOXDSLTMYSGQ-HUUCEWRRSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000348171748 136043009 /nfs/dbraw/zinc/04/30/09/136043009.db2.gz VRYOXDSLTMYSGQ-LSDHHAIUSA-N 2 1 249.402 3.140 20 0 BGADMP CCC[N@@H+](CCC[NH+](C)C)CCC(C)(C)C ZINC000349341640 136342433 /nfs/dbraw/zinc/34/24/33/136342433.db2.gz BWAVRCJHDTYLHZ-UHFFFAOYSA-N 2 1 228.424 3.086 20 0 BGADMP CC[N@@H+](CCCC(C)C)CCC[NH+]1CCCC1 ZINC000349354099 136342880 /nfs/dbraw/zinc/34/28/80/136342880.db2.gz SIDQQZVXFNYUQE-UHFFFAOYSA-N 2 1 240.435 3.230 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000349357479 136343226 /nfs/dbraw/zinc/34/32/26/136343226.db2.gz XDGYDKCLAKUPGT-AWEZNQCLSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000349357479 136343225 /nfs/dbraw/zinc/34/32/25/136343225.db2.gz XDGYDKCLAKUPGT-AWEZNQCLSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000349357482 136343241 /nfs/dbraw/zinc/34/32/41/136343241.db2.gz XDGYDKCLAKUPGT-CQSZACIVSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000349357482 136343240 /nfs/dbraw/zinc/34/32/40/136343240.db2.gz XDGYDKCLAKUPGT-CQSZACIVSA-N 2 1 249.402 3.092 20 0 BGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)ccc1C ZINC000349361430 136343382 /nfs/dbraw/zinc/34/33/82/136343382.db2.gz BHPVCCPYTVHGNG-UHFFFAOYSA-N 2 1 248.414 3.077 20 0 BGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)cccc1C ZINC000349364862 136343082 /nfs/dbraw/zinc/34/30/82/136343082.db2.gz GXJFLROFQNNNRT-UHFFFAOYSA-N 2 1 248.414 3.077 20 0 BGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C)c1C ZINC000349364916 136343415 /nfs/dbraw/zinc/34/34/15/136343415.db2.gz HCOKGLWAXAACHI-UHFFFAOYSA-N 2 1 248.414 3.077 20 0 BGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)c(C)c1 ZINC000349380042 136344329 /nfs/dbraw/zinc/34/43/29/136344329.db2.gz CUVPRWKMRKAQGP-UHFFFAOYSA-N 2 1 248.414 3.077 20 0 BGADMP CCC[N@@H+](CCCC(C)C)CCC[NH+](C)C ZINC000349383321 535328679 /nfs/dbraw/zinc/32/86/79/535328679.db2.gz LQOZIINLCAMWJB-UHFFFAOYSA-N 2 1 228.424 3.086 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](CC)CC(C)(C)C ZINC000349384813 535506408 /nfs/dbraw/zinc/50/64/08/535506408.db2.gz PMBRUPFESDEAGA-UHFFFAOYSA-N 2 1 228.424 3.086 20 0 BGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CC=CCC1 ZINC000349388611 136343910 /nfs/dbraw/zinc/34/39/10/136343910.db2.gz ZWSRFQRZFGYBOG-HNNXBMFYSA-N 2 1 238.419 3.006 20 0 BGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CC=CCC1 ZINC000349388612 136344820 /nfs/dbraw/zinc/34/48/20/136344820.db2.gz ZWSRFQRZFGYBOG-OAHLLOKOSA-N 2 1 238.419 3.006 20 0 BGADMP CC[N@@H+](CCC[NH+]1CCCC1)CCC(C)(C)C ZINC000349403505 136344699 /nfs/dbraw/zinc/34/46/99/136344699.db2.gz BYLMOVZUOMRNNH-UHFFFAOYSA-N 2 1 240.435 3.230 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](CC)CC1(C)CCC1 ZINC000349422365 537830766 /nfs/dbraw/zinc/83/07/66/537830766.db2.gz VGJJPOWLUCAFLD-UHFFFAOYSA-N 2 1 240.435 3.230 20 0 BGADMP CC[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000349803254 355465723 /nfs/dbraw/zinc/46/57/23/355465723.db2.gz WRNYYOOVCUOQLS-UHFFFAOYSA-N 2 1 248.414 3.096 20 0 BGADMP CC[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000349803254 355465721 /nfs/dbraw/zinc/46/57/21/355465721.db2.gz WRNYYOOVCUOQLS-UHFFFAOYSA-N 2 1 248.414 3.096 20 0 BGADMP CC[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000349803254 355465717 /nfs/dbraw/zinc/46/57/17/355465717.db2.gz WRNYYOOVCUOQLS-UHFFFAOYSA-N 2 1 248.414 3.096 20 0 BGADMP CC[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000349803254 355465715 /nfs/dbraw/zinc/46/57/15/355465715.db2.gz WRNYYOOVCUOQLS-UHFFFAOYSA-N 2 1 248.414 3.096 20 0 BGADMP CCCC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000352392755 356336462 /nfs/dbraw/zinc/33/64/62/356336462.db2.gz WLICMEQEUVBXGR-CYBMUJFWSA-N 2 1 237.391 3.092 20 0 BGADMP CCCC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000352392755 356336461 /nfs/dbraw/zinc/33/64/61/356336461.db2.gz WLICMEQEUVBXGR-CYBMUJFWSA-N 2 1 237.391 3.092 20 0 BGADMP CCCC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000352392760 356336778 /nfs/dbraw/zinc/33/67/78/356336778.db2.gz WLICMEQEUVBXGR-ZDUSSCGKSA-N 2 1 237.391 3.092 20 0 BGADMP CCCC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000352392760 356336774 /nfs/dbraw/zinc/33/67/74/356336774.db2.gz WLICMEQEUVBXGR-ZDUSSCGKSA-N 2 1 237.391 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH+](C(C)C)C(C)C ZINC000352770504 180233873 /nfs/dbraw/zinc/23/38/73/180233873.db2.gz SPGBEOIPCFAXBW-UHFFFAOYSA-N 2 1 237.391 3.091 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000353057457 169126964 /nfs/dbraw/zinc/12/69/64/169126964.db2.gz BELUGQLEVXKYRF-BFHYXJOUSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000353057457 169126963 /nfs/dbraw/zinc/12/69/63/169126963.db2.gz BELUGQLEVXKYRF-BFHYXJOUSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000353057459 169127854 /nfs/dbraw/zinc/12/78/54/169127854.db2.gz BELUGQLEVXKYRF-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000353057459 169127852 /nfs/dbraw/zinc/12/78/52/169127852.db2.gz BELUGQLEVXKYRF-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000353057460 169127108 /nfs/dbraw/zinc/12/71/08/169127108.db2.gz BELUGQLEVXKYRF-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000353057460 169127105 /nfs/dbraw/zinc/12/71/05/169127105.db2.gz BELUGQLEVXKYRF-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000353057462 169127219 /nfs/dbraw/zinc/12/72/19/169127219.db2.gz BELUGQLEVXKYRF-MJBXVCDLSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000353057462 169127217 /nfs/dbraw/zinc/12/72/17/169127217.db2.gz BELUGQLEVXKYRF-MJBXVCDLSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000353061982 169125674 /nfs/dbraw/zinc/12/56/74/169125674.db2.gz PBVPIGRDHLBEDF-SHARSMKWSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000353061982 169125672 /nfs/dbraw/zinc/12/56/72/169125672.db2.gz PBVPIGRDHLBEDF-SHARSMKWSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000353061983 169127275 /nfs/dbraw/zinc/12/72/75/169127275.db2.gz PBVPIGRDHLBEDF-SLTAFYQDSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000353061983 169127273 /nfs/dbraw/zinc/12/72/73/169127273.db2.gz PBVPIGRDHLBEDF-SLTAFYQDSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C)CC1 ZINC000353121289 169199958 /nfs/dbraw/zinc/19/99/58/169199958.db2.gz DARZSXYDIHEOAP-NRXISQOPSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C)CC1 ZINC000353121289 169199956 /nfs/dbraw/zinc/19/99/56/169199956.db2.gz DARZSXYDIHEOAP-NRXISQOPSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)CC1 ZINC000353121290 169197322 /nfs/dbraw/zinc/19/73/22/169197322.db2.gz DARZSXYDIHEOAP-YMAMQOFZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)CC1 ZINC000353121290 169197321 /nfs/dbraw/zinc/19/73/21/169197321.db2.gz DARZSXYDIHEOAP-YMAMQOFZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000353128720 169200688 /nfs/dbraw/zinc/20/06/88/169200688.db2.gz SAXBUXGFPOEEQP-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000353128720 169200687 /nfs/dbraw/zinc/20/06/87/169200687.db2.gz SAXBUXGFPOEEQP-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000353128721 169196855 /nfs/dbraw/zinc/19/68/55/169196855.db2.gz SAXBUXGFPOEEQP-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000353128721 169196854 /nfs/dbraw/zinc/19/68/54/169196854.db2.gz SAXBUXGFPOEEQP-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000353132018 169197121 /nfs/dbraw/zinc/19/71/21/169197121.db2.gz CHJMAXQYLGTGCG-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000353132018 169197120 /nfs/dbraw/zinc/19/71/20/169197120.db2.gz CHJMAXQYLGTGCG-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000353132019 169196713 /nfs/dbraw/zinc/19/67/13/169196713.db2.gz CHJMAXQYLGTGCG-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000353132019 169196711 /nfs/dbraw/zinc/19/67/11/169196711.db2.gz CHJMAXQYLGTGCG-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000353132020 169196860 /nfs/dbraw/zinc/19/68/60/169196860.db2.gz CHJMAXQYLGTGCG-RRFJBIMHSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000353132020 169196859 /nfs/dbraw/zinc/19/68/59/169196859.db2.gz CHJMAXQYLGTGCG-RRFJBIMHSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000353132022 169196160 /nfs/dbraw/zinc/19/61/60/169196160.db2.gz CHJMAXQYLGTGCG-SOUVJXGZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000353132022 169196158 /nfs/dbraw/zinc/19/61/58/169196158.db2.gz CHJMAXQYLGTGCG-SOUVJXGZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](CC[NH2+][C@H]1CCC12CCCC2)C(C)C ZINC000353229944 386652836 /nfs/dbraw/zinc/65/28/36/386652836.db2.gz GVUKWIQWVRTHPY-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@H+](CC[NH2+][C@H]1CCC12CCCC2)C(C)C ZINC000353229944 386652832 /nfs/dbraw/zinc/65/28/32/386652832.db2.gz GVUKWIQWVRTHPY-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC12CCCC2)C(C)C ZINC000353229945 386653194 /nfs/dbraw/zinc/65/31/94/386653194.db2.gz GVUKWIQWVRTHPY-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@H+](CC[NH2+][C@@H]1CCC12CCCC2)C(C)C ZINC000353229945 386653192 /nfs/dbraw/zinc/65/31/92/386653192.db2.gz GVUKWIQWVRTHPY-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC12CCCC2 ZINC000353243961 387164167 /nfs/dbraw/zinc/16/41/67/387164167.db2.gz NWWHZZCRYJZVBZ-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000353243962 387163498 /nfs/dbraw/zinc/16/34/98/387163498.db2.gz NWWHZZCRYJZVBZ-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](CCCc1ccc(C)nc1)C(C)C ZINC000353365147 387190775 /nfs/dbraw/zinc/19/07/75/387190775.db2.gz TWDBVDLZRFUPOX-UHFFFAOYSA-N 2 1 220.360 3.053 20 0 BGADMP Cc1ccc(CCC[N@H+](C)Cc2ccco2)cn1 ZINC000353384521 387192330 /nfs/dbraw/zinc/19/23/30/387192330.db2.gz SEIUHJRYVMSGPB-UHFFFAOYSA-N 2 1 244.338 3.048 20 0 BGADMP Cc1ccc(CCC[N@H+](C)[C@@H](C)C(C)C)cn1 ZINC000353384612 387193616 /nfs/dbraw/zinc/19/36/16/387193616.db2.gz SOMSBHRFXJQENG-AWEZNQCLSA-N 2 1 234.387 3.299 20 0 BGADMP Cc1ccc(CCC[N@H+](C)[C@H](C)C(C)C)cn1 ZINC000353384614 387193038 /nfs/dbraw/zinc/19/30/38/387193038.db2.gz SOMSBHRFXJQENG-CQSZACIVSA-N 2 1 234.387 3.299 20 0 BGADMP Cc1ccc(CCC[N@H+](CC(C)C)C2CC2)cn1 ZINC000353440099 387202418 /nfs/dbraw/zinc/20/24/18/387202418.db2.gz OPOTXQYBQMNPGR-UHFFFAOYSA-N 2 1 246.398 3.443 20 0 BGADMP CC[C@H]1CCC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000353452174 387204314 /nfs/dbraw/zinc/20/43/14/387204314.db2.gz VOCLOVPYFLRLBH-HNNXBMFYSA-N 2 1 246.398 3.445 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CCCc1ccc(C)nc1 ZINC000353452312 385666783 /nfs/dbraw/zinc/66/67/83/385666783.db2.gz YROHXGZRMJNNKT-CYBMUJFWSA-N 2 1 220.360 3.053 20 0 BGADMP Cc1ccc(CCC[N@@H+]2CCC[C@H](C)CC2)cn1 ZINC000353452927 387203888 /nfs/dbraw/zinc/20/38/88/387203888.db2.gz WTTARNABYBWUPA-AWEZNQCLSA-N 2 1 246.398 3.445 20 0 BGADMP Cc1ccc(CCC[N@@H+]2CCC[C@@H](C)CC2)cn1 ZINC000353452928 387203866 /nfs/dbraw/zinc/20/38/66/387203866.db2.gz WTTARNABYBWUPA-CQSZACIVSA-N 2 1 246.398 3.445 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000353483579 169127714 /nfs/dbraw/zinc/12/77/14/169127714.db2.gz OTLYQKRZSQGFMK-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000353483579 169127712 /nfs/dbraw/zinc/12/77/12/169127712.db2.gz OTLYQKRZSQGFMK-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000353483580 169125324 /nfs/dbraw/zinc/12/53/24/169125324.db2.gz OTLYQKRZSQGFMK-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC12CCC2 ZINC000353483580 169125323 /nfs/dbraw/zinc/12/53/23/169125323.db2.gz OTLYQKRZSQGFMK-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000353483581 169128024 /nfs/dbraw/zinc/12/80/24/169128024.db2.gz OTLYQKRZSQGFMK-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000353483581 169128022 /nfs/dbraw/zinc/12/80/22/169128022.db2.gz OTLYQKRZSQGFMK-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000353483582 169125311 /nfs/dbraw/zinc/12/53/11/169125311.db2.gz OTLYQKRZSQGFMK-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC12CCC2 ZINC000353483582 169125309 /nfs/dbraw/zinc/12/53/09/169125309.db2.gz OTLYQKRZSQGFMK-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000353494042 169127015 /nfs/dbraw/zinc/12/70/15/169127015.db2.gz XRIWKEALAYRPPR-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000353494042 169127012 /nfs/dbraw/zinc/12/70/12/169127012.db2.gz XRIWKEALAYRPPR-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000353494044 169127971 /nfs/dbraw/zinc/12/79/71/169127971.db2.gz XRIWKEALAYRPPR-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000353494044 169127969 /nfs/dbraw/zinc/12/79/69/169127969.db2.gz XRIWKEALAYRPPR-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000353494045 169125244 /nfs/dbraw/zinc/12/52/44/169125244.db2.gz XRIWKEALAYRPPR-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000353494045 169125243 /nfs/dbraw/zinc/12/52/43/169125243.db2.gz XRIWKEALAYRPPR-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000353494047 169125647 /nfs/dbraw/zinc/12/56/47/169125647.db2.gz XRIWKEALAYRPPR-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000353494047 169125646 /nfs/dbraw/zinc/12/56/46/169125646.db2.gz XRIWKEALAYRPPR-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC1CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000353562334 388542726 /nfs/dbraw/zinc/54/27/26/388542726.db2.gz BQEOCNBIGNMLBX-NFOMZHRRSA-N 2 1 240.435 3.274 20 0 BGADMP CCC1CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000353562334 388542723 /nfs/dbraw/zinc/54/27/23/388542723.db2.gz BQEOCNBIGNMLBX-NFOMZHRRSA-N 2 1 240.435 3.274 20 0 BGADMP CCC1CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000353562335 388542846 /nfs/dbraw/zinc/54/28/46/388542846.db2.gz BQEOCNBIGNMLBX-WLYUNCDWSA-N 2 1 240.435 3.274 20 0 BGADMP CCC1CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000353562335 388542844 /nfs/dbraw/zinc/54/28/44/388542844.db2.gz BQEOCNBIGNMLBX-WLYUNCDWSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000353565350 388542306 /nfs/dbraw/zinc/54/23/06/388542306.db2.gz JVVZGBVASVBRMP-KBPBESRZSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000353565350 388542302 /nfs/dbraw/zinc/54/23/02/388542302.db2.gz JVVZGBVASVBRMP-KBPBESRZSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000353565351 388542629 /nfs/dbraw/zinc/54/26/29/388542629.db2.gz JVVZGBVASVBRMP-KGLIPLIRSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000353565351 388542626 /nfs/dbraw/zinc/54/26/26/388542626.db2.gz JVVZGBVASVBRMP-KGLIPLIRSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000353565352 188085264 /nfs/dbraw/zinc/08/52/64/188085264.db2.gz JVVZGBVASVBRMP-UONOGXRCSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000353565352 188085262 /nfs/dbraw/zinc/08/52/62/188085262.db2.gz JVVZGBVASVBRMP-UONOGXRCSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000353565353 188085825 /nfs/dbraw/zinc/08/58/25/188085825.db2.gz JVVZGBVASVBRMP-ZIAGYGMSSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000353565353 188085824 /nfs/dbraw/zinc/08/58/24/188085824.db2.gz JVVZGBVASVBRMP-ZIAGYGMSSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000353571152 387232452 /nfs/dbraw/zinc/23/24/52/387232452.db2.gz UXMDVMLJQHOBFG-CYBMUJFWSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000353571152 387232449 /nfs/dbraw/zinc/23/24/49/387232449.db2.gz UXMDVMLJQHOBFG-CYBMUJFWSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000353571155 187208867 /nfs/dbraw/zinc/20/88/67/187208867.db2.gz UXMDVMLJQHOBFG-ZDUSSCGKSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000353571155 187208866 /nfs/dbraw/zinc/20/88/66/187208866.db2.gz UXMDVMLJQHOBFG-ZDUSSCGKSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000353573978 188062390 /nfs/dbraw/zinc/06/23/90/188062390.db2.gz IURYARIQGHYWNM-KBPBESRZSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000353573978 188062388 /nfs/dbraw/zinc/06/23/88/188062388.db2.gz IURYARIQGHYWNM-KBPBESRZSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000353573980 187373452 /nfs/dbraw/zinc/37/34/52/187373452.db2.gz IURYARIQGHYWNM-KGLIPLIRSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000353573980 187373450 /nfs/dbraw/zinc/37/34/50/187373450.db2.gz IURYARIQGHYWNM-KGLIPLIRSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000353573981 387232638 /nfs/dbraw/zinc/23/26/38/387232638.db2.gz IURYARIQGHYWNM-UONOGXRCSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000353573981 387232632 /nfs/dbraw/zinc/23/26/32/387232632.db2.gz IURYARIQGHYWNM-UONOGXRCSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000353573982 387232763 /nfs/dbraw/zinc/23/27/63/387232763.db2.gz IURYARIQGHYWNM-ZIAGYGMSSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000353573982 387232756 /nfs/dbraw/zinc/23/27/56/387232756.db2.gz IURYARIQGHYWNM-ZIAGYGMSSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000353578819 192080811 /nfs/dbraw/zinc/08/08/11/192080811.db2.gz SRUHFUUABKDODE-BARDWOONSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000353578819 192080810 /nfs/dbraw/zinc/08/08/10/192080810.db2.gz SRUHFUUABKDODE-BARDWOONSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000353578820 187395883 /nfs/dbraw/zinc/39/58/83/187395883.db2.gz SRUHFUUABKDODE-LJISPDSOSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000353578820 187395881 /nfs/dbraw/zinc/39/58/81/187395881.db2.gz SRUHFUUABKDODE-LJISPDSOSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000353578821 187233376 /nfs/dbraw/zinc/23/33/76/187233376.db2.gz SRUHFUUABKDODE-MCIONIFRSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000353578821 187233374 /nfs/dbraw/zinc/23/33/74/187233374.db2.gz SRUHFUUABKDODE-MCIONIFRSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000353578823 388541874 /nfs/dbraw/zinc/54/18/74/388541874.db2.gz SRUHFUUABKDODE-MGPQQGTHSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000353578823 388541871 /nfs/dbraw/zinc/54/18/71/388541871.db2.gz SRUHFUUABKDODE-MGPQQGTHSA-N 2 1 240.435 3.129 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000353626775 171299450 /nfs/dbraw/zinc/29/94/50/171299450.db2.gz JBBCTZVEARUHEF-RWMBFGLXSA-N 2 1 249.402 3.071 20 0 BGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000353626780 171297045 /nfs/dbraw/zinc/29/70/45/171297045.db2.gz JBBCTZVEARUHEF-XQQFMLRXSA-N 2 1 249.402 3.071 20 0 BGADMP Cc1ccc(CCC[N@@H+]2CC[C@H](C)[C@@H](C)C2)cn1 ZINC000353644599 387249038 /nfs/dbraw/zinc/24/90/38/387249038.db2.gz AEWWDKAOCSGPOE-KBPBESRZSA-N 2 1 246.398 3.301 20 0 BGADMP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)[C@@H](C)C2)cn1 ZINC000353644600 387247514 /nfs/dbraw/zinc/24/75/14/387247514.db2.gz AEWWDKAOCSGPOE-KGLIPLIRSA-N 2 1 246.398 3.301 20 0 BGADMP Cc1ccc(CCC[N@@H+]2CC[C@H](C)[C@H](C)C2)cn1 ZINC000353644601 387248769 /nfs/dbraw/zinc/24/87/69/387248769.db2.gz AEWWDKAOCSGPOE-UONOGXRCSA-N 2 1 246.398 3.301 20 0 BGADMP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)[C@H](C)C2)cn1 ZINC000353644602 387248314 /nfs/dbraw/zinc/24/83/14/387248314.db2.gz AEWWDKAOCSGPOE-ZIAGYGMSSA-N 2 1 246.398 3.301 20 0 BGADMP CC[N@@H+](CCCc1ccc(C)nc1)CC1CC1 ZINC000353651134 387249758 /nfs/dbraw/zinc/24/97/58/387249758.db2.gz BQILEILTIVMVTN-UHFFFAOYSA-N 2 1 232.371 3.055 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000353969996 169200567 /nfs/dbraw/zinc/20/05/67/169200567.db2.gz AVXJGIZUIUUTTL-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000353969996 169200565 /nfs/dbraw/zinc/20/05/65/169200565.db2.gz AVXJGIZUIUUTTL-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000353969997 169200141 /nfs/dbraw/zinc/20/01/41/169200141.db2.gz AVXJGIZUIUUTTL-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000353969997 169200140 /nfs/dbraw/zinc/20/01/40/169200140.db2.gz AVXJGIZUIUUTTL-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000353969998 169196679 /nfs/dbraw/zinc/19/66/79/169196679.db2.gz AVXJGIZUIUUTTL-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000353969998 169196677 /nfs/dbraw/zinc/19/66/77/169196677.db2.gz AVXJGIZUIUUTTL-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000353969999 169196900 /nfs/dbraw/zinc/19/69/00/169196900.db2.gz AVXJGIZUIUUTTL-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000353969999 169196899 /nfs/dbraw/zinc/19/68/99/169196899.db2.gz AVXJGIZUIUUTTL-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000353987146 398301830 /nfs/dbraw/zinc/30/18/30/398301830.db2.gz NLRIZYYUTCAGIW-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000353987146 398301825 /nfs/dbraw/zinc/30/18/25/398301825.db2.gz NLRIZYYUTCAGIW-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000353987147 398301614 /nfs/dbraw/zinc/30/16/14/398301614.db2.gz NLRIZYYUTCAGIW-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000353987147 398301612 /nfs/dbraw/zinc/30/16/12/398301612.db2.gz NLRIZYYUTCAGIW-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000353987148 398302072 /nfs/dbraw/zinc/30/20/72/398302072.db2.gz NLRIZYYUTCAGIW-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000353987148 398302069 /nfs/dbraw/zinc/30/20/69/398302069.db2.gz NLRIZYYUTCAGIW-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000353987149 398301606 /nfs/dbraw/zinc/30/16/06/398301606.db2.gz NLRIZYYUTCAGIW-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000353987149 398301603 /nfs/dbraw/zinc/30/16/03/398301603.db2.gz NLRIZYYUTCAGIW-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CCC1 ZINC000354215338 387347241 /nfs/dbraw/zinc/34/72/41/387347241.db2.gz HYOGFRHNFNUUKB-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CCC1 ZINC000354215338 387347238 /nfs/dbraw/zinc/34/72/38/387347238.db2.gz HYOGFRHNFNUUKB-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CCC1 ZINC000354215339 387347200 /nfs/dbraw/zinc/34/72/00/387347200.db2.gz HYOGFRHNFNUUKB-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CCC1 ZINC000354215339 387347195 /nfs/dbraw/zinc/34/71/95/387347195.db2.gz HYOGFRHNFNUUKB-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)CCC1CC1 ZINC000355051621 387469838 /nfs/dbraw/zinc/46/98/38/387469838.db2.gz CDGUCPXMGJLYFK-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[N@H+](CCCCn1cc[nH+]c1C)CCC1CC1 ZINC000355051621 387469834 /nfs/dbraw/zinc/46/98/34/387469834.db2.gz CDGUCPXMGJLYFK-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[N@@H+](CCCCn1ccnc1C)CCC1CC1 ZINC000355051621 387469829 /nfs/dbraw/zinc/46/98/29/387469829.db2.gz CDGUCPXMGJLYFK-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000355275299 386025575 /nfs/dbraw/zinc/02/55/75/386025575.db2.gz DMBQUORRKIQUAC-BYNSBNAKSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000355275300 386025666 /nfs/dbraw/zinc/02/56/66/386025666.db2.gz DMBQUORRKIQUAC-GBJTYRQASA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000355275301 386025177 /nfs/dbraw/zinc/02/51/77/386025177.db2.gz DMBQUORRKIQUAC-KBUPBQIOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000355275302 386024450 /nfs/dbraw/zinc/02/44/50/386024450.db2.gz DMBQUORRKIQUAC-LXTVHRRPSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000355278558 387512499 /nfs/dbraw/zinc/51/24/99/387512499.db2.gz JQVUZIMKWIMZIW-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000355278560 387511932 /nfs/dbraw/zinc/51/19/32/387511932.db2.gz JQVUZIMKWIMZIW-LJISPDSOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000355278561 387511636 /nfs/dbraw/zinc/51/16/36/387511636.db2.gz JQVUZIMKWIMZIW-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000355278563 387512527 /nfs/dbraw/zinc/51/25/27/387512527.db2.gz JQVUZIMKWIMZIW-MGPQQGTHSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC2(CC2)CC1 ZINC000355294047 387514471 /nfs/dbraw/zinc/51/44/71/387514471.db2.gz PHCHUVDTDNYSLZ-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCC2(CC2)CC1 ZINC000355294048 387513968 /nfs/dbraw/zinc/51/39/68/387513968.db2.gz PHCHUVDTDNYSLZ-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000355332489 387520850 /nfs/dbraw/zinc/52/08/50/387520850.db2.gz ONMRBGXOKHFDTO-BYNSBNAKSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000355332490 387520922 /nfs/dbraw/zinc/52/09/22/387520922.db2.gz ONMRBGXOKHFDTO-GBJTYRQASA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000355332491 387519291 /nfs/dbraw/zinc/51/92/91/387519291.db2.gz ONMRBGXOKHFDTO-KBUPBQIOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000355332492 387519680 /nfs/dbraw/zinc/51/96/80/387519680.db2.gz ONMRBGXOKHFDTO-LXTVHRRPSA-N 2 1 240.435 3.131 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)C1CCC1 ZINC000357036628 180233007 /nfs/dbraw/zinc/23/30/07/180233007.db2.gz LEMDBXQMHDALIG-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)C1CCC1 ZINC000357036628 180233005 /nfs/dbraw/zinc/23/30/05/180233005.db2.gz LEMDBXQMHDALIG-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)C1CCC1 ZINC000357036629 180233964 /nfs/dbraw/zinc/23/39/64/180233964.db2.gz LEMDBXQMHDALIG-ZDUSSCGKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357036629 180233962 /nfs/dbraw/zinc/23/39/62/180233962.db2.gz LEMDBXQMHDALIG-ZDUSSCGKSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000357349593 386764226 /nfs/dbraw/zinc/76/42/26/386764226.db2.gz IUEVIJPUEOLVBX-CABCVRRESA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000357349593 386764225 /nfs/dbraw/zinc/76/42/25/386764225.db2.gz IUEVIJPUEOLVBX-CABCVRRESA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000357349609 171284487 /nfs/dbraw/zinc/28/44/87/171284487.db2.gz IUEVIJPUEOLVBX-GJZGRUSLSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000357349609 171284485 /nfs/dbraw/zinc/28/44/85/171284485.db2.gz IUEVIJPUEOLVBX-GJZGRUSLSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000357349619 386764152 /nfs/dbraw/zinc/76/41/52/386764152.db2.gz IUEVIJPUEOLVBX-HUUCEWRRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000357349619 386764145 /nfs/dbraw/zinc/76/41/45/386764145.db2.gz IUEVIJPUEOLVBX-HUUCEWRRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000357349631 171286152 /nfs/dbraw/zinc/28/61/52/171286152.db2.gz IUEVIJPUEOLVBX-LSDHHAIUSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000357349631 171286151 /nfs/dbraw/zinc/28/61/51/171286151.db2.gz IUEVIJPUEOLVBX-LSDHHAIUSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000357418077 171283616 /nfs/dbraw/zinc/28/36/16/171283616.db2.gz FPRTYDPQYJFHBV-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000357418077 171283614 /nfs/dbraw/zinc/28/36/14/171283614.db2.gz FPRTYDPQYJFHBV-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)C[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000357418078 386778859 /nfs/dbraw/zinc/77/88/59/386778859.db2.gz FPRTYDPQYJFHBV-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000357418078 386778854 /nfs/dbraw/zinc/77/88/54/386778854.db2.gz FPRTYDPQYJFHBV-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000357418079 171283968 /nfs/dbraw/zinc/28/39/68/171283968.db2.gz FPRTYDPQYJFHBV-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000357418079 171283967 /nfs/dbraw/zinc/28/39/67/171283967.db2.gz FPRTYDPQYJFHBV-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)C[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000357418080 386779852 /nfs/dbraw/zinc/77/98/52/386779852.db2.gz FPRTYDPQYJFHBV-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000357418080 386779848 /nfs/dbraw/zinc/77/98/48/386779848.db2.gz FPRTYDPQYJFHBV-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H]1CC[C@H](C)[N@H+]1CCCCn1cc[nH+]c1C ZINC000357557246 171055071 /nfs/dbraw/zinc/05/50/71/171055071.db2.gz XEPCAKSVAVVLCI-DZGCQCFKSA-N 2 1 249.402 3.235 20 0 BGADMP CC[C@@H]1CC[C@H](C)[N@@H+]1CCCCn1cc[nH+]c1C ZINC000357557246 171055066 /nfs/dbraw/zinc/05/50/66/171055066.db2.gz XEPCAKSVAVVLCI-DZGCQCFKSA-N 2 1 249.402 3.235 20 0 BGADMP CC[C@H]1CC[C@@H](C)[N@H+]1CCCCn1cc[nH+]c1C ZINC000357557247 386805861 /nfs/dbraw/zinc/80/58/61/386805861.db2.gz XEPCAKSVAVVLCI-HIFRSBDPSA-N 2 1 249.402 3.235 20 0 BGADMP CC[C@H]1CC[C@@H](C)[N@@H+]1CCCCn1cc[nH+]c1C ZINC000357557247 386805859 /nfs/dbraw/zinc/80/58/59/386805859.db2.gz XEPCAKSVAVVLCI-HIFRSBDPSA-N 2 1 249.402 3.235 20 0 BGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CCCCn1cc[nH+]c1C ZINC000357557248 171036523 /nfs/dbraw/zinc/03/65/23/171036523.db2.gz XEPCAKSVAVVLCI-UKRRQHHQSA-N 2 1 249.402 3.235 20 0 BGADMP CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCCn1cc[nH+]c1C ZINC000357557248 171036521 /nfs/dbraw/zinc/03/65/21/171036521.db2.gz XEPCAKSVAVVLCI-UKRRQHHQSA-N 2 1 249.402 3.235 20 0 BGADMP CC[C@H]1CC[C@H](C)[N@H+]1CCCCn1cc[nH+]c1C ZINC000357557249 386805757 /nfs/dbraw/zinc/80/57/57/386805757.db2.gz XEPCAKSVAVVLCI-ZFWWWQNUSA-N 2 1 249.402 3.235 20 0 BGADMP CC[C@H]1CC[C@H](C)[N@@H+]1CCCCn1cc[nH+]c1C ZINC000357557249 386805754 /nfs/dbraw/zinc/80/57/54/386805754.db2.gz XEPCAKSVAVVLCI-ZFWWWQNUSA-N 2 1 249.402 3.235 20 0 BGADMP CCC1(C[NH2+]C2CC[NH+](C)CC2)CCCCC1 ZINC000358221900 386915069 /nfs/dbraw/zinc/91/50/69/386915069.db2.gz GEQZYMDZHGLUIL-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC[N@@H+](CCC1CC[NH+](CC)CC1)CC(C)C ZINC000358742801 356876832 /nfs/dbraw/zinc/87/68/32/356876832.db2.gz ZKYGBCPELXGUOW-UHFFFAOYSA-N 2 1 240.435 3.086 20 0 BGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H]1CCC12CCCC2 ZINC000359018381 387045473 /nfs/dbraw/zinc/04/54/73/387045473.db2.gz MZLQRYGBYATMDT-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC12CCCC2 ZINC000359018382 387045112 /nfs/dbraw/zinc/04/51/12/387045112.db2.gz MZLQRYGBYATMDT-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000359018383 387045465 /nfs/dbraw/zinc/04/54/65/387045465.db2.gz MZLQRYGBYATMDT-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000359018384 387044921 /nfs/dbraw/zinc/04/49/21/387044921.db2.gz MZLQRYGBYATMDT-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@@H+](CCC1CC[NH2+]CC1)C1CCCC1 ZINC000359194261 188241598 /nfs/dbraw/zinc/24/15/98/188241598.db2.gz RSDBPPCOPLVOIY-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000359987936 387206686 /nfs/dbraw/zinc/20/66/86/387206686.db2.gz QGXXGVQNLMKAGA-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000359987937 176234517 /nfs/dbraw/zinc/23/45/17/176234517.db2.gz QGXXGVQNLMKAGA-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000359987938 387207671 /nfs/dbraw/zinc/20/76/71/387207671.db2.gz QGXXGVQNLMKAGA-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000359987940 176214702 /nfs/dbraw/zinc/21/47/02/176214702.db2.gz QGXXGVQNLMKAGA-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000360338664 356905902 /nfs/dbraw/zinc/90/59/02/356905902.db2.gz RBTBCGZQKSZIHY-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000360338665 356905956 /nfs/dbraw/zinc/90/59/56/356905956.db2.gz RBTBCGZQKSZIHY-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC(C)=C(C)C1 ZINC000361620181 168083234 /nfs/dbraw/zinc/08/32/34/168083234.db2.gz DYTYUDAQGDJWBO-UHFFFAOYSA-N 2 1 247.386 3.014 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC(C)=C(C)C1 ZINC000361620181 168083232 /nfs/dbraw/zinc/08/32/32/168083232.db2.gz DYTYUDAQGDJWBO-UHFFFAOYSA-N 2 1 247.386 3.014 20 0 BGADMP CCC(C)(C)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000362184984 168276195 /nfs/dbraw/zinc/27/61/95/168276195.db2.gz KKXVDULOCHJLDI-KBPBESRZSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000362184984 168276192 /nfs/dbraw/zinc/27/61/92/168276192.db2.gz KKXVDULOCHJLDI-KBPBESRZSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362184984 168276190 /nfs/dbraw/zinc/27/61/90/168276190.db2.gz KKXVDULOCHJLDI-KBPBESRZSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362184984 168276186 /nfs/dbraw/zinc/27/61/86/168276186.db2.gz KKXVDULOCHJLDI-KBPBESRZSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000362184986 168277137 /nfs/dbraw/zinc/27/71/37/168277137.db2.gz KKXVDULOCHJLDI-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000362184986 168277134 /nfs/dbraw/zinc/27/71/34/168277134.db2.gz KKXVDULOCHJLDI-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000362184986 168277131 /nfs/dbraw/zinc/27/71/31/168277131.db2.gz KKXVDULOCHJLDI-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000362184986 168277129 /nfs/dbraw/zinc/27/71/29/168277129.db2.gz KKXVDULOCHJLDI-KGLIPLIRSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000362184987 168276558 /nfs/dbraw/zinc/27/65/58/168276558.db2.gz KKXVDULOCHJLDI-UONOGXRCSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000362184987 168276557 /nfs/dbraw/zinc/27/65/57/168276557.db2.gz KKXVDULOCHJLDI-UONOGXRCSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362184987 168276555 /nfs/dbraw/zinc/27/65/55/168276555.db2.gz KKXVDULOCHJLDI-UONOGXRCSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000362184987 168276554 /nfs/dbraw/zinc/27/65/54/168276554.db2.gz KKXVDULOCHJLDI-UONOGXRCSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000362184988 168277094 /nfs/dbraw/zinc/27/70/94/168277094.db2.gz KKXVDULOCHJLDI-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000362184988 168277091 /nfs/dbraw/zinc/27/70/91/168277091.db2.gz KKXVDULOCHJLDI-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000362184988 168277089 /nfs/dbraw/zinc/27/70/89/168277089.db2.gz KKXVDULOCHJLDI-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(C)(C)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000362184988 168277088 /nfs/dbraw/zinc/27/70/88/168277088.db2.gz KKXVDULOCHJLDI-ZIAGYGMSSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CCC([N@@H+](C)CCC(C)(C)CC)CC1 ZINC000362185342 387581758 /nfs/dbraw/zinc/58/17/58/387581758.db2.gz KQBYDCWFNGWPNI-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+]1CCC([N@H+](C)CCC(C)(C)CC)CC1 ZINC000362185342 387581753 /nfs/dbraw/zinc/58/17/53/387581753.db2.gz KQBYDCWFNGWPNI-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP CCN1CCC([N@@H+](C)CCC(C)(C)CC)CC1 ZINC000362185342 387581749 /nfs/dbraw/zinc/58/17/49/387581749.db2.gz KQBYDCWFNGWPNI-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CCC1 ZINC000362364829 388562228 /nfs/dbraw/zinc/56/22/28/388562228.db2.gz VNDKZVNNAVTPKZ-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CCC1 ZINC000362364835 388562161 /nfs/dbraw/zinc/56/21/61/388562161.db2.gz VNDKZVNNAVTPKZ-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000362916709 538953930 /nfs/dbraw/zinc/95/39/30/538953930.db2.gz HSHMWMORAQREQC-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000362916710 538953914 /nfs/dbraw/zinc/95/39/14/538953914.db2.gz HSHMWMORAQREQC-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+]C1CCC2(CC2)CC1 ZINC000362921759 169122778 /nfs/dbraw/zinc/12/27/78/169122778.db2.gz IUROJGUZBHMLSR-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@H+](CC)CC[NH2+]C1CCC2(CC2)CC1 ZINC000362921759 169122776 /nfs/dbraw/zinc/12/27/76/169122776.db2.gz IUROJGUZBHMLSR-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC2(CC2)CC1 ZINC000362921821 387672069 /nfs/dbraw/zinc/67/20/69/387672069.db2.gz JRFVCEZXCUYQEO-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](CC[NH2+]C1CCC2(CC2)CC1)C(C)C ZINC000362923023 387671265 /nfs/dbraw/zinc/67/12/65/387671265.db2.gz HSLFFRVZFIGUAM-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@H+](CC[NH2+]C1CCC2(CC2)CC1)C(C)C ZINC000362923023 387671259 /nfs/dbraw/zinc/67/12/59/387671259.db2.gz HSLFFRVZFIGUAM-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC2(CC2)CC1 ZINC000362925567 387675062 /nfs/dbraw/zinc/67/50/62/387675062.db2.gz UIGGGHAALWXTNX-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC2(CC2)CC1 ZINC000362925567 387675058 /nfs/dbraw/zinc/67/50/58/387675058.db2.gz UIGGGHAALWXTNX-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC2(CC2)CC1 ZINC000362925569 171306198 /nfs/dbraw/zinc/30/61/98/171306198.db2.gz UIGGGHAALWXTNX-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC2(CC2)CC1 ZINC000362925569 171306196 /nfs/dbraw/zinc/30/61/96/171306196.db2.gz UIGGGHAALWXTNX-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C1=C[C@H]([NH+]2CCC([NH2+]C3CCCC3)CC2)CCC1 ZINC000363402403 188129830 /nfs/dbraw/zinc/12/98/30/188129830.db2.gz KQQJXXWJWZKFMW-INIZCTEOSA-N 2 1 248.414 3.092 20 0 BGADMP C1=C[C@@H]([NH+]2CCC([NH2+]C3CCCC3)CC2)CCC1 ZINC000363402404 383937410 /nfs/dbraw/zinc/93/74/10/383937410.db2.gz KQQJXXWJWZKFMW-MRXNPFEDSA-N 2 1 248.414 3.092 20 0 BGADMP CCCCC[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364718926 397909483 /nfs/dbraw/zinc/90/94/83/397909483.db2.gz YCDXRQPENLYJSH-KBPBESRZSA-N 2 1 249.402 3.004 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364718927 397908990 /nfs/dbraw/zinc/90/89/90/397908990.db2.gz YCDXRQPENLYJSH-KGLIPLIRSA-N 2 1 249.402 3.004 20 0 BGADMP CCCCC[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000364718928 397909105 /nfs/dbraw/zinc/90/91/05/397909105.db2.gz YCDXRQPENLYJSH-UONOGXRCSA-N 2 1 249.402 3.004 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000364718929 397909053 /nfs/dbraw/zinc/90/90/53/397909053.db2.gz YCDXRQPENLYJSH-ZIAGYGMSSA-N 2 1 249.402 3.004 20 0 BGADMP CCCC(CCC)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000366656766 386168653 /nfs/dbraw/zinc/16/86/53/386168653.db2.gz FKZBILNUBPMBHF-CYBMUJFWSA-N 2 1 249.402 3.004 20 0 BGADMP CCCC(CCC)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000366656767 386169019 /nfs/dbraw/zinc/16/90/19/386169019.db2.gz FKZBILNUBPMBHF-ZDUSSCGKSA-N 2 1 249.402 3.004 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000367399727 356949294 /nfs/dbraw/zinc/94/92/94/356949294.db2.gz GSIYTWAOYMAVTI-BFHYXJOUSA-N 2 1 249.402 3.002 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000367399728 356949302 /nfs/dbraw/zinc/94/93/02/356949302.db2.gz GSIYTWAOYMAVTI-IHRRRGAJSA-N 2 1 249.402 3.002 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000367399729 356949240 /nfs/dbraw/zinc/94/92/40/356949240.db2.gz GSIYTWAOYMAVTI-MELADBBJSA-N 2 1 249.402 3.002 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000367399730 356949251 /nfs/dbraw/zinc/94/92/51/356949251.db2.gz GSIYTWAOYMAVTI-MJBXVCDLSA-N 2 1 249.402 3.002 20 0 BGADMP c1ncn2c1C[N@@H+](CCC1CCCCCC1)CC2 ZINC000367940362 386920346 /nfs/dbraw/zinc/92/03/46/386920346.db2.gz BZWWTRPGEGXQHJ-UHFFFAOYSA-N 2 1 247.386 3.059 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368103248 383872782 /nfs/dbraw/zinc/87/27/82/383872782.db2.gz UJPDZWYNHNYLNA-AVGNSLFASA-N 2 1 249.402 3.071 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368103249 383873491 /nfs/dbraw/zinc/87/34/91/383873491.db2.gz UJPDZWYNHNYLNA-RWMBFGLXSA-N 2 1 249.402 3.071 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368103250 383872323 /nfs/dbraw/zinc/87/23/23/383872323.db2.gz UJPDZWYNHNYLNA-XQQFMLRXSA-N 2 1 249.402 3.071 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368103251 383872156 /nfs/dbraw/zinc/87/21/56/383872156.db2.gz UJPDZWYNHNYLNA-YNEHKIRRSA-N 2 1 249.402 3.071 20 0 BGADMP CC(C)C[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000369040141 356981509 /nfs/dbraw/zinc/98/15/09/356981509.db2.gz BVIAMMTXAQHASR-AWEZNQCLSA-N 2 1 249.402 3.299 20 0 BGADMP CC(C)C[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000369040143 356981700 /nfs/dbraw/zinc/98/17/00/356981700.db2.gz BVIAMMTXAQHASR-CQSZACIVSA-N 2 1 249.402 3.299 20 0 BGADMP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000370879102 176107131 /nfs/dbraw/zinc/10/71/31/176107131.db2.gz LUDLLPJQTOYQNK-CABCVRRESA-N 2 1 248.414 3.044 20 0 BGADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000370879102 176107128 /nfs/dbraw/zinc/10/71/28/176107128.db2.gz LUDLLPJQTOYQNK-CABCVRRESA-N 2 1 248.414 3.044 20 0 BGADMP C[C@H]1CCC[N@H+]1C1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000370879103 177108848 /nfs/dbraw/zinc/10/88/48/177108848.db2.gz LUDLLPJQTOYQNK-GJZGRUSLSA-N 2 1 248.414 3.044 20 0 BGADMP C[C@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000370879103 177108847 /nfs/dbraw/zinc/10/88/47/177108847.db2.gz LUDLLPJQTOYQNK-GJZGRUSLSA-N 2 1 248.414 3.044 20 0 BGADMP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000370879104 176107510 /nfs/dbraw/zinc/10/75/10/176107510.db2.gz LUDLLPJQTOYQNK-HUUCEWRRSA-N 2 1 248.414 3.044 20 0 BGADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000370879104 176107508 /nfs/dbraw/zinc/10/75/08/176107508.db2.gz LUDLLPJQTOYQNK-HUUCEWRRSA-N 2 1 248.414 3.044 20 0 BGADMP C[C@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000370879105 177108671 /nfs/dbraw/zinc/10/86/71/177108671.db2.gz LUDLLPJQTOYQNK-LSDHHAIUSA-N 2 1 248.414 3.044 20 0 BGADMP C[C@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000370879105 177108669 /nfs/dbraw/zinc/10/86/69/177108669.db2.gz LUDLLPJQTOYQNK-LSDHHAIUSA-N 2 1 248.414 3.044 20 0 BGADMP CCCCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374978855 387502856 /nfs/dbraw/zinc/50/28/56/387502856.db2.gz KQSPFRIUFUROEZ-UHFFFAOYSA-N 2 1 238.419 3.127 20 0 BGADMP CCCCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374978855 387502846 /nfs/dbraw/zinc/50/28/46/387502846.db2.gz KQSPFRIUFUROEZ-UHFFFAOYSA-N 2 1 238.419 3.127 20 0 BGADMP CC[NH+]1CCC([N@@H+](C2CC2)[C@H]2C=CCCC2)CC1 ZINC000375003185 357171529 /nfs/dbraw/zinc/17/15/29/357171529.db2.gz JCYXALFYZPEXBU-AWEZNQCLSA-N 2 1 248.414 3.044 20 0 BGADMP CC[NH+]1CCC([N@H+](C2CC2)[C@H]2C=CCCC2)CC1 ZINC000375003185 357171528 /nfs/dbraw/zinc/17/15/28/357171528.db2.gz JCYXALFYZPEXBU-AWEZNQCLSA-N 2 1 248.414 3.044 20 0 BGADMP CC[NH+]1CCC([N@@H+](C2CC2)[C@@H]2C=CCCC2)CC1 ZINC000375003186 357171444 /nfs/dbraw/zinc/17/14/44/357171444.db2.gz JCYXALFYZPEXBU-CQSZACIVSA-N 2 1 248.414 3.044 20 0 BGADMP CC[NH+]1CCC([N@H+](C2CC2)[C@@H]2C=CCCC2)CC1 ZINC000375003186 357171442 /nfs/dbraw/zinc/17/14/42/357171442.db2.gz JCYXALFYZPEXBU-CQSZACIVSA-N 2 1 248.414 3.044 20 0 BGADMP CCCCC[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000375005789 387506691 /nfs/dbraw/zinc/50/66/91/387506691.db2.gz UFLOUKWAWIFCFI-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP CCCCC[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000375005789 387506688 /nfs/dbraw/zinc/50/66/88/387506688.db2.gz UFLOUKWAWIFCFI-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1C1CCC1 ZINC000375723624 387574231 /nfs/dbraw/zinc/57/42/31/387574231.db2.gz GPCLVGSXCKZEIG-AWEZNQCLSA-N 2 1 247.386 3.023 20 0 BGADMP CC(C)c1nccn1C[C@H]1CCC[N@H+]1C1CCC1 ZINC000375723625 387574061 /nfs/dbraw/zinc/57/40/61/387574061.db2.gz GPCLVGSXCKZEIG-CQSZACIVSA-N 2 1 247.386 3.023 20 0 BGADMP CCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375757726 387580159 /nfs/dbraw/zinc/58/01/59/387580159.db2.gz MHIKGTLSDPWCDN-YIONKMFJSA-N 2 1 238.419 3.124 20 0 BGADMP CCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375757726 387580156 /nfs/dbraw/zinc/58/01/56/387580156.db2.gz MHIKGTLSDPWCDN-YIONKMFJSA-N 2 1 238.419 3.124 20 0 BGADMP CCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375757726 387580152 /nfs/dbraw/zinc/58/01/52/387580152.db2.gz MHIKGTLSDPWCDN-YIONKMFJSA-N 2 1 238.419 3.124 20 0 BGADMP CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000376162879 387612906 /nfs/dbraw/zinc/61/29/06/387612906.db2.gz POXLDHKZIZJYPD-IMJJTQAJSA-N 2 1 246.398 3.068 20 0 BGADMP CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000376162880 171342388 /nfs/dbraw/zinc/34/23/88/171342388.db2.gz POXLDHKZIZJYPD-NUEKZKHPSA-N 2 1 246.398 3.068 20 0 BGADMP Cc1ccncc1CCC[N@H+]1CCC[C@H]1C1CC1 ZINC000377705785 385345271 /nfs/dbraw/zinc/34/52/71/385345271.db2.gz ZPZNFQMHEKPHKG-INIZCTEOSA-N 2 1 244.382 3.197 20 0 BGADMP CCC[C@H](C)C[NH2+][C@@H](C)C[N@@H+](CC)CCC ZINC000379429175 358484161 /nfs/dbraw/zinc/48/41/61/358484161.db2.gz DIOBNNLEKHIBBK-KBPBESRZSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[C@H](C)C[NH2+][C@@H](C)C[N@H+](CC)CCC ZINC000379429175 358484158 /nfs/dbraw/zinc/48/41/58/358484158.db2.gz DIOBNNLEKHIBBK-KBPBESRZSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[C@@H](C)C[NH2+][C@@H](C)C[N@@H+](CC)CCC ZINC000379429188 358484326 /nfs/dbraw/zinc/48/43/26/358484326.db2.gz DIOBNNLEKHIBBK-KGLIPLIRSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[C@@H](C)C[NH2+][C@@H](C)C[N@H+](CC)CCC ZINC000379429188 358484321 /nfs/dbraw/zinc/48/43/21/358484321.db2.gz DIOBNNLEKHIBBK-KGLIPLIRSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[C@H](C)C[NH2+][C@H](C)C[N@@H+](CC)CCC ZINC000379429190 358484253 /nfs/dbraw/zinc/48/42/53/358484253.db2.gz DIOBNNLEKHIBBK-UONOGXRCSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[C@H](C)C[NH2+][C@H](C)C[N@H+](CC)CCC ZINC000379429190 358484249 /nfs/dbraw/zinc/48/42/49/358484249.db2.gz DIOBNNLEKHIBBK-UONOGXRCSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[C@@H](C)C[NH2+][C@H](C)C[N@@H+](CC)CCC ZINC000379429194 358484313 /nfs/dbraw/zinc/48/43/13/358484313.db2.gz DIOBNNLEKHIBBK-ZIAGYGMSSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[C@@H](C)C[NH2+][C@H](C)C[N@H+](CC)CCC ZINC000379429194 358484308 /nfs/dbraw/zinc/48/43/08/358484308.db2.gz DIOBNNLEKHIBBK-ZIAGYGMSSA-N 2 1 228.424 3.133 20 0 BGADMP [NH3+]CCCCCCC[N@H+]1CCC2(CCCC2)C1 ZINC000379724479 712392944 /nfs/dbraw/zinc/39/29/44/712392944.db2.gz QFWQWLBVIJWWJB-UHFFFAOYSA-N 2 1 238.419 3.162 20 0 BGADMP C[C@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000379757617 712397650 /nfs/dbraw/zinc/39/76/50/712397650.db2.gz ZJBGBKWZUAHPEC-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000379757618 712397525 /nfs/dbraw/zinc/39/75/25/712397525.db2.gz ZJBGBKWZUAHPEC-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000379757619 712397493 /nfs/dbraw/zinc/39/74/93/712397493.db2.gz ZJBGBKWZUAHPEC-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000379757620 712397645 /nfs/dbraw/zinc/39/76/45/712397645.db2.gz ZJBGBKWZUAHPEC-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000380631683 367262865 /nfs/dbraw/zinc/26/28/65/367262865.db2.gz PTONTQXZJJZYME-XEZPLFJOSA-N 2 1 246.398 3.293 20 0 BGADMP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000380631683 367262859 /nfs/dbraw/zinc/26/28/59/367262859.db2.gz PTONTQXZJJZYME-XEZPLFJOSA-N 2 1 246.398 3.293 20 0 BGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000380862366 710592430 /nfs/dbraw/zinc/59/24/30/710592430.db2.gz ZTVVEUMMIZHILH-GWCFXTLKSA-N 2 1 240.778 3.070 20 0 BGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000380862366 710592425 /nfs/dbraw/zinc/59/24/25/710592425.db2.gz ZTVVEUMMIZHILH-GWCFXTLKSA-N 2 1 240.778 3.070 20 0 BGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000380862370 710592457 /nfs/dbraw/zinc/59/24/57/710592457.db2.gz ZTVVEUMMIZHILH-GXFFZTMASA-N 2 1 240.778 3.070 20 0 BGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000380862370 710592451 /nfs/dbraw/zinc/59/24/51/710592451.db2.gz ZTVVEUMMIZHILH-GXFFZTMASA-N 2 1 240.778 3.070 20 0 BGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000380862372 710592612 /nfs/dbraw/zinc/59/26/12/710592612.db2.gz ZTVVEUMMIZHILH-MFKMUULPSA-N 2 1 240.778 3.070 20 0 BGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)[NH3+] ZINC000380862372 710592608 /nfs/dbraw/zinc/59/26/08/710592608.db2.gz ZTVVEUMMIZHILH-MFKMUULPSA-N 2 1 240.778 3.070 20 0 BGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000380862374 710592392 /nfs/dbraw/zinc/59/23/92/710592392.db2.gz ZTVVEUMMIZHILH-ZWNOBZJWSA-N 2 1 240.778 3.070 20 0 BGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)[NH3+] ZINC000380862374 710592390 /nfs/dbraw/zinc/59/23/90/710592390.db2.gz ZTVVEUMMIZHILH-ZWNOBZJWSA-N 2 1 240.778 3.070 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCCCC1 ZINC000381365361 345550885 /nfs/dbraw/zinc/55/08/85/345550885.db2.gz GRMYLZTUHKDFKT-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCCCC1 ZINC000381365361 345550882 /nfs/dbraw/zinc/55/08/82/345550882.db2.gz GRMYLZTUHKDFKT-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCCCC1 ZINC000381365363 345550892 /nfs/dbraw/zinc/55/08/92/345550892.db2.gz GRMYLZTUHKDFKT-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCCCC1 ZINC000381365363 345550889 /nfs/dbraw/zinc/55/08/89/345550889.db2.gz GRMYLZTUHKDFKT-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC000381376383 345704639 /nfs/dbraw/zinc/70/46/39/345704639.db2.gz JXQHSULNMWOCEM-CYBMUJFWSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC000381376383 345704637 /nfs/dbraw/zinc/70/46/37/345704637.db2.gz JXQHSULNMWOCEM-CYBMUJFWSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC(CC)CC ZINC000381390958 367393155 /nfs/dbraw/zinc/39/31/55/367393155.db2.gz ODKJCPFFCFAJCG-CYBMUJFWSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC(CC)CC ZINC000381390958 367393148 /nfs/dbraw/zinc/39/31/48/367393148.db2.gz ODKJCPFFCFAJCG-CYBMUJFWSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC(CC)CC ZINC000381390959 367392790 /nfs/dbraw/zinc/39/27/90/367392790.db2.gz ODKJCPFFCFAJCG-ZDUSSCGKSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC(CC)CC ZINC000381390959 367392785 /nfs/dbraw/zinc/39/27/85/367392785.db2.gz ODKJCPFFCFAJCG-ZDUSSCGKSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000381394786 345797219 /nfs/dbraw/zinc/79/72/19/345797219.db2.gz PFLURJDABVGZPH-QWHCGFSZSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000381394786 345797215 /nfs/dbraw/zinc/79/72/15/345797215.db2.gz PFLURJDABVGZPH-QWHCGFSZSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)C(C)(C)C ZINC000381394788 345797302 /nfs/dbraw/zinc/79/73/02/345797302.db2.gz PFLURJDABVGZPH-STQMWFEESA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)C(C)(C)C ZINC000381394788 345797300 /nfs/dbraw/zinc/79/73/00/345797300.db2.gz PFLURJDABVGZPH-STQMWFEESA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](CC)CCC ZINC000381396246 367393860 /nfs/dbraw/zinc/39/38/60/367393860.db2.gz PSDNHFAPZMMEOR-KBPBESRZSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](CC)CCC ZINC000381396246 367393856 /nfs/dbraw/zinc/39/38/56/367393856.db2.gz PSDNHFAPZMMEOR-KBPBESRZSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](CC)CCC ZINC000381396254 367393933 /nfs/dbraw/zinc/39/39/33/367393933.db2.gz PSDNHFAPZMMEOR-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](CC)CCC ZINC000381396254 367393932 /nfs/dbraw/zinc/39/39/32/367393932.db2.gz PSDNHFAPZMMEOR-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)CCCC ZINC000381419470 367399848 /nfs/dbraw/zinc/39/98/48/367399848.db2.gz WVRBVVNEDZWZQD-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@H](C)[NH2+][C@H](C)C[N@H+](C)CCCC ZINC000381419470 367399842 /nfs/dbraw/zinc/39/98/42/367399842.db2.gz WVRBVVNEDZWZQD-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)CCCC ZINC000381419472 367398883 /nfs/dbraw/zinc/39/88/83/367398883.db2.gz WVRBVVNEDZWZQD-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)CCCC ZINC000381419472 367398875 /nfs/dbraw/zinc/39/88/75/367398875.db2.gz WVRBVVNEDZWZQD-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCC[C@H](CC)[NH2+][C@@H](C)C[N@@H+](CC)CCC ZINC000381419606 345840387 /nfs/dbraw/zinc/84/03/87/345840387.db2.gz WXMSSEDWSGRCQO-KBPBESRZSA-N 2 1 228.424 3.275 20 0 BGADMP CCC[C@H](CC)[NH2+][C@@H](C)C[N@H+](CC)CCC ZINC000381419606 345840384 /nfs/dbraw/zinc/84/03/84/345840384.db2.gz WXMSSEDWSGRCQO-KBPBESRZSA-N 2 1 228.424 3.275 20 0 BGADMP CCC[C@H](CC)[NH2+][C@H](C)C[N@@H+](CC)CCC ZINC000381419607 345840432 /nfs/dbraw/zinc/84/04/32/345840432.db2.gz WXMSSEDWSGRCQO-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CCC[C@H](CC)[NH2+][C@H](C)C[N@H+](CC)CCC ZINC000381419607 345840429 /nfs/dbraw/zinc/84/04/29/345840429.db2.gz WXMSSEDWSGRCQO-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CCC[C@@H](CC)[NH2+][C@@H](C)C[N@@H+](CC)CCC ZINC000381419608 345840050 /nfs/dbraw/zinc/84/00/50/345840050.db2.gz WXMSSEDWSGRCQO-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCC[C@@H](CC)[NH2+][C@@H](C)C[N@H+](CC)CCC ZINC000381419608 345840046 /nfs/dbraw/zinc/84/00/46/345840046.db2.gz WXMSSEDWSGRCQO-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCC[C@@H](CC)[NH2+][C@H](C)C[N@@H+](CC)CCC ZINC000381419609 397960166 /nfs/dbraw/zinc/96/01/66/397960166.db2.gz WXMSSEDWSGRCQO-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCC[C@@H](CC)[NH2+][C@H](C)C[N@H+](CC)CCC ZINC000381419609 397960162 /nfs/dbraw/zinc/96/01/62/397960162.db2.gz WXMSSEDWSGRCQO-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCCCC[C@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000381582759 710658317 /nfs/dbraw/zinc/65/83/17/710658317.db2.gz GBHPATSGMULQMO-UONOGXRCSA-N 2 1 228.424 3.275 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000381582760 710658764 /nfs/dbraw/zinc/65/87/64/710658764.db2.gz GBHPATSGMULQMO-ZIAGYGMSSA-N 2 1 228.424 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000381604103 367436001 /nfs/dbraw/zinc/43/60/01/367436001.db2.gz PFLURJDABVGZPH-CHWSQXEVSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000381604103 367435996 /nfs/dbraw/zinc/43/59/96/367435996.db2.gz PFLURJDABVGZPH-CHWSQXEVSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C(C)(C)C ZINC000381604104 367435804 /nfs/dbraw/zinc/43/58/04/367435804.db2.gz PFLURJDABVGZPH-OLZOCXBDSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C(C)(C)C ZINC000381604104 367435800 /nfs/dbraw/zinc/43/58/00/367435800.db2.gz PFLURJDABVGZPH-OLZOCXBDSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC[C@H](C)[NH2+][C@@H](C)C[N@@H+](CC)CCC ZINC000381608422 367438014 /nfs/dbraw/zinc/43/80/14/367438014.db2.gz RPVCYFIGIIGTAS-KBPBESRZSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@H](C)[NH2+][C@@H](C)C[N@H+](CC)CCC ZINC000381608422 367438010 /nfs/dbraw/zinc/43/80/10/367438010.db2.gz RPVCYFIGIIGTAS-KBPBESRZSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](CC)CCC ZINC000381608425 367437607 /nfs/dbraw/zinc/43/76/07/367437607.db2.gz RPVCYFIGIIGTAS-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@@H](C)C[N@H+](CC)CCC ZINC000381608425 367437604 /nfs/dbraw/zinc/43/76/04/367437604.db2.gz RPVCYFIGIIGTAS-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000382427837 367520774 /nfs/dbraw/zinc/52/07/74/367520774.db2.gz ZKSJPKKORNLYOG-APIJFGDWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000382427837 367520773 /nfs/dbraw/zinc/52/07/73/367520773.db2.gz ZKSJPKKORNLYOG-APIJFGDWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000382427850 367520017 /nfs/dbraw/zinc/52/00/17/367520017.db2.gz ZKSJPKKORNLYOG-KBUPBQIOSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000382427850 367520012 /nfs/dbraw/zinc/52/00/12/367520012.db2.gz ZKSJPKKORNLYOG-KBUPBQIOSA-N 2 1 240.435 3.129 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@H]1CCC1(C)C)[NH+](C)C ZINC000383347322 348396425 /nfs/dbraw/zinc/39/64/25/348396425.db2.gz NCAVDOXIENOPOB-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@H]1CCC1(C)C)[NH+](C)C ZINC000383347323 348396573 /nfs/dbraw/zinc/39/65/73/348396573.db2.gz NCAVDOXIENOPOB-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC1(C)C)[NH+](C)C ZINC000383347324 348396360 /nfs/dbraw/zinc/39/63/60/348396360.db2.gz NCAVDOXIENOPOB-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CCC1(C)C)[NH+](C)C ZINC000383347326 367614950 /nfs/dbraw/zinc/61/49/50/367614950.db2.gz NCAVDOXIENOPOB-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CCCCC1(C)C ZINC000383395724 487618582 /nfs/dbraw/zinc/61/85/82/487618582.db2.gz AHXBJMOHXPMHIP-DZGCQCFKSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CCCCC1(C)C ZINC000383395725 487618420 /nfs/dbraw/zinc/61/84/20/487618420.db2.gz AHXBJMOHXPMHIP-HIFRSBDPSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CCCCC1(C)C ZINC000383395726 487618216 /nfs/dbraw/zinc/61/82/16/487618216.db2.gz AHXBJMOHXPMHIP-UKRRQHHQSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CCCCC1(C)C ZINC000383395727 487618302 /nfs/dbraw/zinc/61/83/02/487618302.db2.gz AHXBJMOHXPMHIP-ZFWWWQNUSA-N 2 1 240.435 3.166 20 0 BGADMP CCC[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000383529855 711574281 /nfs/dbraw/zinc/57/42/81/711574281.db2.gz AQWLTDBOPJZCEA-CVEARBPZSA-N 2 1 246.398 3.026 20 0 BGADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000383582747 367640616 /nfs/dbraw/zinc/64/06/16/367640616.db2.gz MAUFIHGKXKWVBS-DZGCQCFKSA-N 2 1 234.387 3.053 20 0 BGADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000383582747 367640611 /nfs/dbraw/zinc/64/06/11/367640611.db2.gz MAUFIHGKXKWVBS-DZGCQCFKSA-N 2 1 234.387 3.053 20 0 BGADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000383582748 367640579 /nfs/dbraw/zinc/64/05/79/367640579.db2.gz MAUFIHGKXKWVBS-HIFRSBDPSA-N 2 1 234.387 3.053 20 0 BGADMP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H](C)c1ccccc1 ZINC000383582748 367640574 /nfs/dbraw/zinc/64/05/74/367640574.db2.gz MAUFIHGKXKWVBS-HIFRSBDPSA-N 2 1 234.387 3.053 20 0 BGADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000383582749 367640815 /nfs/dbraw/zinc/64/08/15/367640815.db2.gz MAUFIHGKXKWVBS-UKRRQHHQSA-N 2 1 234.387 3.053 20 0 BGADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccccc1 ZINC000383582749 367640812 /nfs/dbraw/zinc/64/08/12/367640812.db2.gz MAUFIHGKXKWVBS-UKRRQHHQSA-N 2 1 234.387 3.053 20 0 BGADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000383582750 367640925 /nfs/dbraw/zinc/64/09/25/367640925.db2.gz MAUFIHGKXKWVBS-ZFWWWQNUSA-N 2 1 234.387 3.053 20 0 BGADMP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000383582750 367640923 /nfs/dbraw/zinc/64/09/23/367640923.db2.gz MAUFIHGKXKWVBS-ZFWWWQNUSA-N 2 1 234.387 3.053 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000383629023 367644233 /nfs/dbraw/zinc/64/42/33/367644233.db2.gz JSHWWYHDBLEMSM-ILXRZTDVSA-N 2 1 246.398 3.068 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000383629024 367644164 /nfs/dbraw/zinc/64/41/64/367644164.db2.gz JSHWWYHDBLEMSM-KFWWJZLASA-N 2 1 246.398 3.068 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000383629025 367644303 /nfs/dbraw/zinc/64/43/03/367644303.db2.gz JSHWWYHDBLEMSM-QLFBSQMISA-N 2 1 246.398 3.068 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000383629026 367644617 /nfs/dbraw/zinc/64/46/17/367644617.db2.gz JSHWWYHDBLEMSM-RBSFLKMASA-N 2 1 246.398 3.068 20 0 BGADMP Cc1ccsc1C[N@@H+](C)CCCCCC[NH3+] ZINC000383687187 710832955 /nfs/dbraw/zinc/83/29/55/710832955.db2.gz DLTZTZJMKXLSQY-UHFFFAOYSA-N 2 1 240.416 3.007 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000383712156 710872702 /nfs/dbraw/zinc/87/27/02/710872702.db2.gz IRWBAHPUTOVDEZ-AWEZNQCLSA-N 2 1 234.387 3.199 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000383712159 710872646 /nfs/dbraw/zinc/87/26/46/710872646.db2.gz IRWBAHPUTOVDEZ-CQSZACIVSA-N 2 1 234.387 3.199 20 0 BGADMP CC(C)C(C[NH2+][C@@H](C)C[N@@H+](C)C(C)C)C(C)C ZINC000384055262 367669135 /nfs/dbraw/zinc/66/91/35/367669135.db2.gz OZLLUCVIZOCKJT-AWEZNQCLSA-N 2 1 242.451 3.233 20 0 BGADMP CC(C)C(C[NH2+][C@@H](C)C[N@H+](C)C(C)C)C(C)C ZINC000384055262 367669133 /nfs/dbraw/zinc/66/91/33/367669133.db2.gz OZLLUCVIZOCKJT-AWEZNQCLSA-N 2 1 242.451 3.233 20 0 BGADMP CC(C)C(C[NH2+][C@H](C)C[N@@H+](C)C(C)C)C(C)C ZINC000384055265 367671229 /nfs/dbraw/zinc/67/12/29/367671229.db2.gz OZLLUCVIZOCKJT-CQSZACIVSA-N 2 1 242.451 3.233 20 0 BGADMP CC(C)C(C[NH2+][C@H](C)C[N@H+](C)C(C)C)C(C)C ZINC000384055265 367671221 /nfs/dbraw/zinc/67/12/21/367671221.db2.gz OZLLUCVIZOCKJT-CQSZACIVSA-N 2 1 242.451 3.233 20 0 BGADMP CC[C@H]1[C@@H](C)CC[N@H+]1CCCCCCC[NH3+] ZINC000384126044 710638969 /nfs/dbraw/zinc/63/89/69/710638969.db2.gz ORPMGBBFWGQCFJ-KBPBESRZSA-N 2 1 226.408 3.016 20 0 BGADMP CC[C@H]1[C@H](C)CC[N@H+]1CCCCCCC[NH3+] ZINC000384126049 710638861 /nfs/dbraw/zinc/63/88/61/710638861.db2.gz ORPMGBBFWGQCFJ-KGLIPLIRSA-N 2 1 226.408 3.016 20 0 BGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CCCCCCC[NH3+] ZINC000384126057 710638403 /nfs/dbraw/zinc/63/84/03/710638403.db2.gz ORPMGBBFWGQCFJ-UONOGXRCSA-N 2 1 226.408 3.016 20 0 BGADMP CC[C@@H]1[C@H](C)CC[N@H+]1CCCCCCC[NH3+] ZINC000384126066 710638949 /nfs/dbraw/zinc/63/89/49/710638949.db2.gz ORPMGBBFWGQCFJ-ZIAGYGMSSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000384499343 367693383 /nfs/dbraw/zinc/69/33/83/367693383.db2.gz OUKSAWNEXZBNHF-AAVRWANBSA-N 2 1 240.435 3.129 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000384499344 367693419 /nfs/dbraw/zinc/69/34/19/367693419.db2.gz OUKSAWNEXZBNHF-REWJHTLYSA-N 2 1 240.435 3.129 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000384499345 367693754 /nfs/dbraw/zinc/69/37/54/367693754.db2.gz OUKSAWNEXZBNHF-RFQIPJPRSA-N 2 1 240.435 3.129 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000384499346 367693797 /nfs/dbraw/zinc/69/37/97/367693797.db2.gz OUKSAWNEXZBNHF-YIYPIFLZSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000384567136 367701056 /nfs/dbraw/zinc/70/10/56/367701056.db2.gz IOSWFNSFLDDMFJ-CHWSQXEVSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000384567136 367701053 /nfs/dbraw/zinc/70/10/53/367701053.db2.gz IOSWFNSFLDDMFJ-CHWSQXEVSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000384567138 367700868 /nfs/dbraw/zinc/70/08/68/367700868.db2.gz IOSWFNSFLDDMFJ-OLZOCXBDSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000384567138 367700865 /nfs/dbraw/zinc/70/08/65/367700865.db2.gz IOSWFNSFLDDMFJ-OLZOCXBDSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000384567140 367700914 /nfs/dbraw/zinc/70/09/14/367700914.db2.gz IOSWFNSFLDDMFJ-QWHCGFSZSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000384567140 367700911 /nfs/dbraw/zinc/70/09/11/367700911.db2.gz IOSWFNSFLDDMFJ-QWHCGFSZSA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000384567141 367701067 /nfs/dbraw/zinc/70/10/67/367701067.db2.gz IOSWFNSFLDDMFJ-STQMWFEESA-N 2 1 228.424 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000384567141 367701065 /nfs/dbraw/zinc/70/10/65/367701065.db2.gz IOSWFNSFLDDMFJ-STQMWFEESA-N 2 1 228.424 3.129 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000384742253 367725212 /nfs/dbraw/zinc/72/52/12/367725212.db2.gz LMTDIORMILLNSM-HZSPNIEDSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000384742253 367725204 /nfs/dbraw/zinc/72/52/04/367725204.db2.gz LMTDIORMILLNSM-HZSPNIEDSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000384742255 367725059 /nfs/dbraw/zinc/72/50/59/367725059.db2.gz LMTDIORMILLNSM-MCIONIFRSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000384742255 367725053 /nfs/dbraw/zinc/72/50/53/367725053.db2.gz LMTDIORMILLNSM-MCIONIFRSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000384742257 367724630 /nfs/dbraw/zinc/72/46/30/367724630.db2.gz LMTDIORMILLNSM-MGPQQGTHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000384742257 367724625 /nfs/dbraw/zinc/72/46/25/367724625.db2.gz LMTDIORMILLNSM-MGPQQGTHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000384742259 367725143 /nfs/dbraw/zinc/72/51/43/367725143.db2.gz LMTDIORMILLNSM-RDBSUJKOSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000384742259 367725134 /nfs/dbraw/zinc/72/51/34/367725134.db2.gz LMTDIORMILLNSM-RDBSUJKOSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000384816155 367736871 /nfs/dbraw/zinc/73/68/71/367736871.db2.gz VPQBCNYFCVQUQP-GFCCVEGCSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000384816156 367736773 /nfs/dbraw/zinc/73/67/73/367736773.db2.gz VPQBCNYFCVQUQP-LBPRGKRZSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000385087291 367786620 /nfs/dbraw/zinc/78/66/20/367786620.db2.gz FVCGXSKZOIGVBZ-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000385087297 367786514 /nfs/dbraw/zinc/78/65/14/367786514.db2.gz FVCGXSKZOIGVBZ-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000385087299 367786424 /nfs/dbraw/zinc/78/64/24/367786424.db2.gz FVCGXSKZOIGVBZ-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000385087300 367786322 /nfs/dbraw/zinc/78/63/22/367786322.db2.gz FVCGXSKZOIGVBZ-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP C[N@@H+](CCCCCC[NH3+])CCCc1ccccc1 ZINC000385365797 711452765 /nfs/dbraw/zinc/45/27/65/711452765.db2.gz JIUIEFIKVUWREB-UHFFFAOYSA-N 2 1 248.414 3.070 20 0 BGADMP CC(C)c1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000385367335 367822618 /nfs/dbraw/zinc/82/26/18/367822618.db2.gz WZXCSENXCBLALL-UHFFFAOYSA-N 2 1 246.398 3.123 20 0 BGADMP CC(C)c1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000385367335 367822613 /nfs/dbraw/zinc/82/26/13/367822613.db2.gz WZXCSENXCBLALL-UHFFFAOYSA-N 2 1 246.398 3.123 20 0 BGADMP CCC[N@@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC000385385908 711011957 /nfs/dbraw/zinc/01/19/57/711011957.db2.gz QFHIOZTVGIYRCM-UHFFFAOYSA-N 2 1 248.414 3.418 20 0 BGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000385388259 711011844 /nfs/dbraw/zinc/01/18/44/711011844.db2.gz RMJPRXLHXNJRJD-INIZCTEOSA-N 2 1 246.398 3.343 20 0 BGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000385388260 711011860 /nfs/dbraw/zinc/01/18/60/711011860.db2.gz RMJPRXLHXNJRJD-MRXNPFEDSA-N 2 1 246.398 3.343 20 0 BGADMP C[C@@H]([N@@H+](C)CCCCCCC[NH3+])C1(C)CC1 ZINC000385530861 711014422 /nfs/dbraw/zinc/01/44/22/711014422.db2.gz ZELSYVOLIRSORB-CYBMUJFWSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@H]([N@@H+](C)CCCCCCC[NH3+])C1(C)CC1 ZINC000385530874 711014657 /nfs/dbraw/zinc/01/46/57/711014657.db2.gz ZELSYVOLIRSORB-ZDUSSCGKSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000386011090 711021126 /nfs/dbraw/zinc/02/11/26/711021126.db2.gz VHFGKHKHOSSKPK-CHWSQXEVSA-N 2 1 248.414 3.324 20 0 BGADMP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000386011090 711021121 /nfs/dbraw/zinc/02/11/21/711021121.db2.gz VHFGKHKHOSSKPK-CHWSQXEVSA-N 2 1 248.414 3.324 20 0 BGADMP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000386011093 711020240 /nfs/dbraw/zinc/02/02/40/711020240.db2.gz VHFGKHKHOSSKPK-OLZOCXBDSA-N 2 1 248.414 3.324 20 0 BGADMP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000386011093 711020238 /nfs/dbraw/zinc/02/02/38/711020238.db2.gz VHFGKHKHOSSKPK-OLZOCXBDSA-N 2 1 248.414 3.324 20 0 BGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000386011097 711020078 /nfs/dbraw/zinc/02/00/78/711020078.db2.gz VHFGKHKHOSSKPK-QWHCGFSZSA-N 2 1 248.414 3.324 20 0 BGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000386011097 711020072 /nfs/dbraw/zinc/02/00/72/711020072.db2.gz VHFGKHKHOSSKPK-QWHCGFSZSA-N 2 1 248.414 3.324 20 0 BGADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000386011100 711021386 /nfs/dbraw/zinc/02/13/86/711021386.db2.gz VHFGKHKHOSSKPK-STQMWFEESA-N 2 1 248.414 3.324 20 0 BGADMP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000386011100 711021383 /nfs/dbraw/zinc/02/13/83/711021383.db2.gz VHFGKHKHOSSKPK-STQMWFEESA-N 2 1 248.414 3.324 20 0 BGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC23CCCC3)c2ccccc21 ZINC000386862361 368029074 /nfs/dbraw/zinc/02/90/74/368029074.db2.gz FSELAIYLXFAWRO-ILXRZTDVSA-N 2 1 242.366 3.054 20 0 BGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC23CCCC3)c2ccccc21 ZINC000386862362 368028645 /nfs/dbraw/zinc/02/86/45/368028645.db2.gz FSELAIYLXFAWRO-KFWWJZLASA-N 2 1 242.366 3.054 20 0 BGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC23CCCC3)c2ccccc21 ZINC000386862363 368028709 /nfs/dbraw/zinc/02/87/09/368028709.db2.gz FSELAIYLXFAWRO-QLFBSQMISA-N 2 1 242.366 3.054 20 0 BGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCCC3)c2ccccc21 ZINC000386862366 368029930 /nfs/dbraw/zinc/02/99/30/368029930.db2.gz FSELAIYLXFAWRO-RBSFLKMASA-N 2 1 242.366 3.054 20 0 BGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)C1CCCC1 ZINC000387523219 344696441 /nfs/dbraw/zinc/69/64/41/344696441.db2.gz KSJFUMFHWWDRBU-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C1CCCC1 ZINC000387523220 344696708 /nfs/dbraw/zinc/69/67/08/344696708.db2.gz KSJFUMFHWWDRBU-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000387547109 344731032 /nfs/dbraw/zinc/73/10/32/344731032.db2.gz RGAAHGKQNHNMKY-CFVMTHIKSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000387547109 344731031 /nfs/dbraw/zinc/73/10/31/344731031.db2.gz RGAAHGKQNHNMKY-CFVMTHIKSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000387547110 344731222 /nfs/dbraw/zinc/73/12/22/344731222.db2.gz RGAAHGKQNHNMKY-QEJZJMRPSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000387547110 344731221 /nfs/dbraw/zinc/73/12/21/344731221.db2.gz RGAAHGKQNHNMKY-QEJZJMRPSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000387547111 344731096 /nfs/dbraw/zinc/73/10/96/344731096.db2.gz RGAAHGKQNHNMKY-SNPRPXQTSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCC1 ZINC000387547111 344731095 /nfs/dbraw/zinc/73/10/95/344731095.db2.gz RGAAHGKQNHNMKY-SNPRPXQTSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000387547112 344731216 /nfs/dbraw/zinc/73/12/16/344731216.db2.gz RGAAHGKQNHNMKY-YUELXQCFSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCC1 ZINC000387547112 344731215 /nfs/dbraw/zinc/73/12/15/344731215.db2.gz RGAAHGKQNHNMKY-YUELXQCFSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCCC(C)C ZINC000390623538 259395669 /nfs/dbraw/zinc/39/56/69/259395669.db2.gz JHCKMUONTKAJHD-AWEZNQCLSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCCC(C)C ZINC000390623538 259395668 /nfs/dbraw/zinc/39/56/68/259395668.db2.gz JHCKMUONTKAJHD-AWEZNQCLSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCCC(C)C ZINC000390623539 259395631 /nfs/dbraw/zinc/39/56/31/259395631.db2.gz JHCKMUONTKAJHD-CQSZACIVSA-N 2 1 228.424 3.133 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCCC(C)C ZINC000390623539 259395630 /nfs/dbraw/zinc/39/56/30/259395630.db2.gz JHCKMUONTKAJHD-CQSZACIVSA-N 2 1 228.424 3.133 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](CC)C(C)C ZINC000390795914 385904675 /nfs/dbraw/zinc/90/46/75/385904675.db2.gz RAXLTUJJDDOSAK-KGLIPLIRSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](CC)C(C)C ZINC000390795914 385904671 /nfs/dbraw/zinc/90/46/71/385904671.db2.gz RAXLTUJJDDOSAK-KGLIPLIRSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](CC)C(C)C ZINC000390795915 385904024 /nfs/dbraw/zinc/90/40/24/385904024.db2.gz RAXLTUJJDDOSAK-ZIAGYGMSSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](CC)C(C)C ZINC000390795915 385904022 /nfs/dbraw/zinc/90/40/22/385904022.db2.gz RAXLTUJJDDOSAK-ZIAGYGMSSA-N 2 1 228.424 3.131 20 0 BGADMP CCC(CC)(CC)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000391159250 539027603 /nfs/dbraw/zinc/02/76/03/539027603.db2.gz AQXJOFPHUXFUGL-AWEZNQCLSA-N 2 1 240.435 3.134 20 0 BGADMP CCC(CC)(CC)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000391159255 539027534 /nfs/dbraw/zinc/02/75/34/539027534.db2.gz AQXJOFPHUXFUGL-CQSZACIVSA-N 2 1 240.435 3.134 20 0 BGADMP CCC(CC)(CC)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000391222125 357125934 /nfs/dbraw/zinc/12/59/34/357125934.db2.gz ZFOANPFZTGKMML-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000391222126 357126621 /nfs/dbraw/zinc/12/66/21/357126621.db2.gz ZFOANPFZTGKMML-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CCCCCC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392240030 711143331 /nfs/dbraw/zinc/14/33/31/711143331.db2.gz MLWJUYUUFKNDAG-AWEZNQCLSA-N 2 1 238.419 3.197 20 0 BGADMP CCCCCC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392240031 711143044 /nfs/dbraw/zinc/14/30/44/711143044.db2.gz MLWJUYUUFKNDAG-CQSZACIVSA-N 2 1 238.419 3.197 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000393754928 387101547 /nfs/dbraw/zinc/10/15/47/387101547.db2.gz WBVIXINXVUEULG-HZSPNIEDSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000393754928 387101545 /nfs/dbraw/zinc/10/15/45/387101545.db2.gz WBVIXINXVUEULG-HZSPNIEDSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000393754930 387102898 /nfs/dbraw/zinc/10/28/98/387102898.db2.gz WBVIXINXVUEULG-IHRRRGAJSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000393754930 387102894 /nfs/dbraw/zinc/10/28/94/387102894.db2.gz WBVIXINXVUEULG-IHRRRGAJSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000393754931 387101916 /nfs/dbraw/zinc/10/19/16/387101916.db2.gz WBVIXINXVUEULG-MELADBBJSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000393754931 387101914 /nfs/dbraw/zinc/10/19/14/387101914.db2.gz WBVIXINXVUEULG-MELADBBJSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000393754933 387101638 /nfs/dbraw/zinc/10/16/38/387101638.db2.gz WBVIXINXVUEULG-RDBSUJKOSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000393754933 387101635 /nfs/dbraw/zinc/10/16/35/387101635.db2.gz WBVIXINXVUEULG-RDBSUJKOSA-N 2 1 228.424 3.131 20 0 BGADMP CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000393770254 323387533 /nfs/dbraw/zinc/38/75/33/323387533.db2.gz FMYYETLYCOXYPV-KBPBESRZSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000393770254 323387529 /nfs/dbraw/zinc/38/75/29/323387529.db2.gz FMYYETLYCOXYPV-KBPBESRZSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000393770255 323387078 /nfs/dbraw/zinc/38/70/78/323387078.db2.gz FMYYETLYCOXYPV-KGLIPLIRSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000393770255 323387075 /nfs/dbraw/zinc/38/70/75/323387075.db2.gz FMYYETLYCOXYPV-KGLIPLIRSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000393771211 388442199 /nfs/dbraw/zinc/44/21/99/388442199.db2.gz SZOOGKCKEGBUIY-KBPBESRZSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000393771211 388442198 /nfs/dbraw/zinc/44/21/98/388442198.db2.gz SZOOGKCKEGBUIY-KBPBESRZSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000393771213 387294956 /nfs/dbraw/zinc/29/49/56/387294956.db2.gz SZOOGKCKEGBUIY-KGLIPLIRSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000393771213 387294951 /nfs/dbraw/zinc/29/49/51/387294951.db2.gz SZOOGKCKEGBUIY-KGLIPLIRSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)CCCC ZINC000393785020 387912651 /nfs/dbraw/zinc/91/26/51/387912651.db2.gz WVRBVVNEDZWZQD-KBPBESRZSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)CCCC ZINC000393785020 387912646 /nfs/dbraw/zinc/91/26/46/387912646.db2.gz WVRBVVNEDZWZQD-KBPBESRZSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)CCCC ZINC000393785021 387913209 /nfs/dbraw/zinc/91/32/09/387913209.db2.gz WVRBVVNEDZWZQD-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)CCCC ZINC000393785021 387913205 /nfs/dbraw/zinc/91/32/05/387913205.db2.gz WVRBVVNEDZWZQD-KGLIPLIRSA-N 2 1 228.424 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC000393850979 357303160 /nfs/dbraw/zinc/30/31/60/357303160.db2.gz LEZJBJBPYAFADJ-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC000393850979 357303158 /nfs/dbraw/zinc/30/31/58/357303158.db2.gz LEZJBJBPYAFADJ-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC000393850982 357302919 /nfs/dbraw/zinc/30/29/19/357302919.db2.gz LEZJBJBPYAFADJ-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC000393850982 357302915 /nfs/dbraw/zinc/30/29/15/357302915.db2.gz LEZJBJBPYAFADJ-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)C(C[NH2+]CCC[N@@H+](C)C(C)C)C(C)C ZINC000393851173 388444175 /nfs/dbraw/zinc/44/41/75/388444175.db2.gz RZJPQRHZNKVQRF-UHFFFAOYSA-N 2 1 242.451 3.235 20 0 BGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)C)CC[N@H+]1C ZINC000393852694 385555431 /nfs/dbraw/zinc/55/54/31/385555431.db2.gz VHWVPKFKIIPCOW-CHWSQXEVSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)CC[N@H+]1C ZINC000393852695 385555504 /nfs/dbraw/zinc/55/55/04/385555504.db2.gz VHWVPKFKIIPCOW-OLZOCXBDSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)C)CC[N@H+]1C ZINC000393852696 323033675 /nfs/dbraw/zinc/03/36/75/323033675.db2.gz VHWVPKFKIIPCOW-QWHCGFSZSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)CC[N@H+]1C ZINC000393852697 385555270 /nfs/dbraw/zinc/55/52/70/385555270.db2.gz VHWVPKFKIIPCOW-STQMWFEESA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000393866739 357304205 /nfs/dbraw/zinc/30/42/05/357304205.db2.gz PSXPDABCRPTQDV-KBPBESRZSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000393866739 357304202 /nfs/dbraw/zinc/30/42/02/357304202.db2.gz PSXPDABCRPTQDV-KBPBESRZSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000393866740 350108330 /nfs/dbraw/zinc/10/83/30/350108330.db2.gz PSXPDABCRPTQDV-KGLIPLIRSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000393866740 350108329 /nfs/dbraw/zinc/10/83/29/350108329.db2.gz PSXPDABCRPTQDV-KGLIPLIRSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000393866742 357304400 /nfs/dbraw/zinc/30/44/00/357304400.db2.gz PSXPDABCRPTQDV-UONOGXRCSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000393866742 357304399 /nfs/dbraw/zinc/30/43/99/357304399.db2.gz PSXPDABCRPTQDV-UONOGXRCSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000393866744 343997621 /nfs/dbraw/zinc/99/76/21/343997621.db2.gz PSXPDABCRPTQDV-ZIAGYGMSSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000393866744 343997619 /nfs/dbraw/zinc/99/76/19/343997619.db2.gz PSXPDABCRPTQDV-ZIAGYGMSSA-N 2 1 240.435 3.274 20 0 BGADMP C[NH+]1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC000394558413 387868229 /nfs/dbraw/zinc/86/82/29/387868229.db2.gz DRHCJXRTVCMBTA-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394604334 385319224 /nfs/dbraw/zinc/31/92/24/385319224.db2.gz FMAKKUPHOVJMFN-HNNXBMFYSA-N 2 1 238.419 3.018 20 0 BGADMP C[C@]1(C[NH3+])CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394604339 262740452 /nfs/dbraw/zinc/74/04/52/262740452.db2.gz FMAKKUPHOVJMFN-OAHLLOKOSA-N 2 1 238.419 3.018 20 0 BGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394606742 357367934 /nfs/dbraw/zinc/36/79/34/357367934.db2.gz GFCKHIODFJPEAV-HNNXBMFYSA-N 2 1 238.419 3.018 20 0 BGADMP [NH3+]C[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394606754 357367664 /nfs/dbraw/zinc/36/76/64/357367664.db2.gz GFCKHIODFJPEAV-OAHLLOKOSA-N 2 1 238.419 3.018 20 0 BGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC1CCCCCC1 ZINC000394611926 357368846 /nfs/dbraw/zinc/36/88/46/357368846.db2.gz IFSNRZWZYMLMMV-DZGCQCFKSA-N 2 1 238.419 3.159 20 0 BGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC1CCCCCC1 ZINC000394611933 357368961 /nfs/dbraw/zinc/36/89/61/357368961.db2.gz IFSNRZWZYMLMMV-HIFRSBDPSA-N 2 1 238.419 3.159 20 0 BGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC1CCCCCC1 ZINC000394611941 357368917 /nfs/dbraw/zinc/36/89/17/357368917.db2.gz IFSNRZWZYMLMMV-UKRRQHHQSA-N 2 1 238.419 3.159 20 0 BGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC1CCCCCC1 ZINC000394611945 357368956 /nfs/dbraw/zinc/36/89/56/357368956.db2.gz IFSNRZWZYMLMMV-ZFWWWQNUSA-N 2 1 238.419 3.159 20 0 BGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394628418 347602124 /nfs/dbraw/zinc/60/21/24/347602124.db2.gz OSXSNGGXEUFHDU-DZGCQCFKSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394628419 347602391 /nfs/dbraw/zinc/60/23/91/347602391.db2.gz OSXSNGGXEUFHDU-HIFRSBDPSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394628420 386599785 /nfs/dbraw/zinc/59/97/85/386599785.db2.gz OSXSNGGXEUFHDU-UKRRQHHQSA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)C1 ZINC000394628645 357364691 /nfs/dbraw/zinc/36/46/91/357364691.db2.gz OSTQYYPSUMZVOF-APIJFGDWSA-N 2 1 238.419 3.014 20 0 BGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)C1 ZINC000394628647 357365290 /nfs/dbraw/zinc/36/52/90/357365290.db2.gz OSTQYYPSUMZVOF-KBXIAJHMSA-N 2 1 238.419 3.014 20 0 BGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000394628650 357365116 /nfs/dbraw/zinc/36/51/16/357365116.db2.gz OSTQYYPSUMZVOF-LJISPDSOSA-N 2 1 238.419 3.014 20 0 BGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)C1 ZINC000394628652 357365408 /nfs/dbraw/zinc/36/54/08/357365408.db2.gz OSTQYYPSUMZVOF-XGUBFFRZSA-N 2 1 238.419 3.014 20 0 BGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394628744 386600198 /nfs/dbraw/zinc/60/01/98/386600198.db2.gz OSXSNGGXEUFHDU-ZFWWWQNUSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC1CCCCCC1 ZINC000394643926 348625494 /nfs/dbraw/zinc/62/54/94/348625494.db2.gz WCMNENSKPKGMLD-DZGCQCFKSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1CCCCCC1 ZINC000394643927 348625689 /nfs/dbraw/zinc/62/56/89/348625689.db2.gz WCMNENSKPKGMLD-HIFRSBDPSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC1CCCCCC1 ZINC000394643930 348625526 /nfs/dbraw/zinc/62/55/26/348625526.db2.gz WCMNENSKPKGMLD-UKRRQHHQSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1CCCCCC1 ZINC000394643932 348625555 /nfs/dbraw/zinc/62/55/55/348625555.db2.gz WCMNENSKPKGMLD-ZFWWWQNUSA-N 2 1 238.419 3.016 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCCC12CCC2 ZINC000394788352 410822336 /nfs/dbraw/zinc/82/23/36/410822336.db2.gz LNBYKTDCCVKWOP-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCCC12CCC2 ZINC000394788354 410821895 /nfs/dbraw/zinc/82/18/95/410821895.db2.gz LNBYKTDCCVKWOP-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCCC12CCC2 ZINC000394788356 410822227 /nfs/dbraw/zinc/82/22/27/410822227.db2.gz LNBYKTDCCVKWOP-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC12CCC2 ZINC000394788357 410822278 /nfs/dbraw/zinc/82/22/78/410822278.db2.gz LNBYKTDCCVKWOP-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000394794283 357380954 /nfs/dbraw/zinc/38/09/54/357380954.db2.gz ABVFDQYPJTYUHA-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000394794283 357380951 /nfs/dbraw/zinc/38/09/51/357380951.db2.gz ABVFDQYPJTYUHA-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000394794284 357380857 /nfs/dbraw/zinc/38/08/57/357380857.db2.gz ABVFDQYPJTYUHA-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000394794284 357380855 /nfs/dbraw/zinc/38/08/55/357380855.db2.gz ABVFDQYPJTYUHA-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000394794285 357381044 /nfs/dbraw/zinc/38/10/44/357381044.db2.gz ABVFDQYPJTYUHA-RRFJBIMHSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000394794285 357381041 /nfs/dbraw/zinc/38/10/41/357381041.db2.gz ABVFDQYPJTYUHA-RRFJBIMHSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000394794286 357381036 /nfs/dbraw/zinc/38/10/36/357381036.db2.gz ABVFDQYPJTYUHA-ZNMIVQPWSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000394794286 357381034 /nfs/dbraw/zinc/38/10/34/357381034.db2.gz ABVFDQYPJTYUHA-ZNMIVQPWSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCCC12CCC2 ZINC000394798587 386419524 /nfs/dbraw/zinc/41/95/24/386419524.db2.gz LAZMIAZHYIVNTL-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCCC12CCC2 ZINC000394798587 386419517 /nfs/dbraw/zinc/41/95/17/386419517.db2.gz LAZMIAZHYIVNTL-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCCC12CCC2 ZINC000394798589 386417949 /nfs/dbraw/zinc/41/79/49/386417949.db2.gz LAZMIAZHYIVNTL-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCCC12CCC2 ZINC000394798589 386417945 /nfs/dbraw/zinc/41/79/45/386417945.db2.gz LAZMIAZHYIVNTL-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCC12CCC2 ZINC000394824039 397925659 /nfs/dbraw/zinc/92/56/59/397925659.db2.gz VYUQYRYHLQRQDN-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394824040 397925600 /nfs/dbraw/zinc/92/56/00/397925600.db2.gz VYUQYRYHLQRQDN-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCC12CCC2 ZINC000394824633 397933697 /nfs/dbraw/zinc/93/36/97/397933697.db2.gz WDIQAJBGCMQTGO-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCC12CCC2 ZINC000394824633 397933695 /nfs/dbraw/zinc/93/36/95/397933695.db2.gz WDIQAJBGCMQTGO-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCC12CCC2 ZINC000394824634 262742015 /nfs/dbraw/zinc/74/20/15/262742015.db2.gz WDIQAJBGCMQTGO-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCCC12CCC2 ZINC000394824634 262742014 /nfs/dbraw/zinc/74/20/14/262742014.db2.gz WDIQAJBGCMQTGO-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCC12CCC2 ZINC000394824635 397933796 /nfs/dbraw/zinc/93/37/96/397933796.db2.gz WDIQAJBGCMQTGO-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCC12CCC2 ZINC000394824635 397933792 /nfs/dbraw/zinc/93/37/92/397933792.db2.gz WDIQAJBGCMQTGO-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCC12CCC2 ZINC000394824636 397934031 /nfs/dbraw/zinc/93/40/31/397934031.db2.gz WDIQAJBGCMQTGO-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCC12CCC2 ZINC000394824636 397934028 /nfs/dbraw/zinc/93/40/28/397934028.db2.gz WDIQAJBGCMQTGO-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000394872943 711690713 /nfs/dbraw/zinc/69/07/13/711690713.db2.gz ZUAAOHAHIMNKBH-DNDYEEKYSA-N 2 1 238.419 3.014 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000395004765 386802506 /nfs/dbraw/zinc/80/25/06/386802506.db2.gz HBBBUYGKKKZWQM-HZSPNIEDSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000395004767 386803238 /nfs/dbraw/zinc/80/32/38/386803238.db2.gz HBBBUYGKKKZWQM-MCIONIFRSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000395004768 386802630 /nfs/dbraw/zinc/80/26/30/386802630.db2.gz HBBBUYGKKKZWQM-MGPQQGTHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000395004770 386802972 /nfs/dbraw/zinc/80/29/72/386802972.db2.gz HBBBUYGKKKZWQM-RDBSUJKOSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000395018519 323185172 /nfs/dbraw/zinc/18/51/72/323185172.db2.gz MCPVUYVRRUJSMD-FUDCBSFHSA-N 2 1 238.419 3.026 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000395018522 323185181 /nfs/dbraw/zinc/18/51/81/323185181.db2.gz MCPVUYVRRUJSMD-RLAWYHOSSA-N 2 1 238.419 3.026 20 0 BGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CC(C)(C)C ZINC000395030632 323185313 /nfs/dbraw/zinc/18/53/13/323185313.db2.gz HECVUZZHMJBFPP-CYBMUJFWSA-N 2 1 228.424 3.131 20 0 BGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)C ZINC000395030634 323185284 /nfs/dbraw/zinc/18/52/84/323185284.db2.gz HECVUZZHMJBFPP-ZDUSSCGKSA-N 2 1 228.424 3.131 20 0 BGADMP C[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1[NH3+] ZINC000395154627 386949005 /nfs/dbraw/zinc/94/90/05/386949005.db2.gz FWCUIJRRPSRRQM-DZGCQCFKSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000395154628 386948109 /nfs/dbraw/zinc/94/81/09/386948109.db2.gz FWCUIJRRPSRRQM-HIFRSBDPSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1[NH3+] ZINC000395154630 386949120 /nfs/dbraw/zinc/94/91/20/386949120.db2.gz FWCUIJRRPSRRQM-UKRRQHHQSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000395154631 386948831 /nfs/dbraw/zinc/94/88/31/386948831.db2.gz FWCUIJRRPSRRQM-ZFWWWQNUSA-N 2 1 238.419 3.016 20 0 BGADMP C[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000395162610 357416078 /nfs/dbraw/zinc/41/60/78/357416078.db2.gz UYYRWPZKQGCXOL-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC(C)(C)C1 ZINC000395166876 262766565 /nfs/dbraw/zinc/76/65/65/262766565.db2.gz DEQVVLPHSBBXRN-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC(C)(C)C1 ZINC000395166878 386954778 /nfs/dbraw/zinc/95/47/78/386954778.db2.gz DEQVVLPHSBBXRN-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(CC)[C@H](C[NH2+]C1CC(C)(C)C1)[NH+](C)C ZINC000395170412 386954520 /nfs/dbraw/zinc/95/45/20/386954520.db2.gz HGIYVWYNSNGINK-AWEZNQCLSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@@H](C[NH2+]C1CC(C)(C)C1)[NH+](C)C ZINC000395170413 386953929 /nfs/dbraw/zinc/95/39/29/386953929.db2.gz HGIYVWYNSNGINK-CQSZACIVSA-N 2 1 240.435 3.131 20 0 BGADMP C[NH+](C)C1(C[NH2+]C2CC(C)(C)C2)CCCCC1 ZINC000395186197 386969880 /nfs/dbraw/zinc/96/98/80/386969880.db2.gz SBDPVQIBDACQKO-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCC2CCCCC2)C1 ZINC000395196521 262768494 /nfs/dbraw/zinc/76/84/94/262768494.db2.gz KKEBKLWMXNYLRD-HNNXBMFYSA-N 2 1 238.419 3.018 20 0 BGADMP C[C@]1(C[NH3+])CC[N@@H+](CCCC2CCCCC2)C1 ZINC000395196522 386985058 /nfs/dbraw/zinc/98/50/58/386985058.db2.gz KKEBKLWMXNYLRD-OAHLLOKOSA-N 2 1 238.419 3.018 20 0 BGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000395199396 386982343 /nfs/dbraw/zinc/98/23/43/386982343.db2.gz LQOBSFCJPFRJLC-DZGCQCFKSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000395199397 386982559 /nfs/dbraw/zinc/98/25/59/386982559.db2.gz LQOBSFCJPFRJLC-HIFRSBDPSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000395199399 386983467 /nfs/dbraw/zinc/98/34/67/386983467.db2.gz LQOBSFCJPFRJLC-UKRRQHHQSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000395199401 262768509 /nfs/dbraw/zinc/76/85/09/262768509.db2.gz LQOBSFCJPFRJLC-ZFWWWQNUSA-N 2 1 238.419 3.016 20 0 BGADMP CCC(CC)(CC)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000395212310 323221665 /nfs/dbraw/zinc/22/16/65/323221665.db2.gz IYZWHEBWUMFPAK-AWEZNQCLSA-N 2 1 240.435 3.264 20 0 BGADMP CCC(CC)(CC)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000395212311 323221580 /nfs/dbraw/zinc/22/15/80/323221580.db2.gz IYZWHEBWUMFPAK-CQSZACIVSA-N 2 1 240.435 3.264 20 0 BGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCC1CCCCC1 ZINC000395215053 357428438 /nfs/dbraw/zinc/42/84/38/357428438.db2.gz REYMCHUFBZCBLG-DZGCQCFKSA-N 2 1 238.419 3.159 20 0 BGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCC1CCCCC1 ZINC000395215055 357427950 /nfs/dbraw/zinc/42/79/50/357427950.db2.gz REYMCHUFBZCBLG-HIFRSBDPSA-N 2 1 238.419 3.159 20 0 BGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCC1CCCCC1 ZINC000395215058 357428118 /nfs/dbraw/zinc/42/81/18/357428118.db2.gz REYMCHUFBZCBLG-UKRRQHHQSA-N 2 1 238.419 3.159 20 0 BGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCC1CCCCC1 ZINC000395215059 357428286 /nfs/dbraw/zinc/42/82/86/357428286.db2.gz REYMCHUFBZCBLG-ZFWWWQNUSA-N 2 1 238.419 3.159 20 0 BGADMP CCC(CC)(CC)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000395222757 323222157 /nfs/dbraw/zinc/22/21/57/323222157.db2.gz NCKXLLDUKHTXRH-ZIAGYGMSSA-N 2 1 240.435 3.120 20 0 BGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395234485 357429024 /nfs/dbraw/zinc/42/90/24/357429024.db2.gz WTDQTCQFVPKDJF-HNNXBMFYSA-N 2 1 238.419 3.018 20 0 BGADMP [NH3+]C[C@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395234486 357429209 /nfs/dbraw/zinc/42/92/09/357429209.db2.gz WTDQTCQFVPKDJF-OAHLLOKOSA-N 2 1 238.419 3.018 20 0 BGADMP CCC(CC)(CC)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000395237800 323222772 /nfs/dbraw/zinc/22/27/72/323222772.db2.gz SJXITIIXWWZWAA-AWEZNQCLSA-N 2 1 240.435 3.134 20 0 BGADMP CCC(CC)(CC)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000395237802 323222790 /nfs/dbraw/zinc/22/27/90/323222790.db2.gz SJXITIIXWWZWAA-CQSZACIVSA-N 2 1 240.435 3.134 20 0 BGADMP [NH3+]CCCCCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000395435504 711211613 /nfs/dbraw/zinc/21/16/13/711211613.db2.gz HKSMCJOVCHITIS-UHFFFAOYSA-N 2 1 246.398 3.170 20 0 BGADMP CCc1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000395521648 711212092 /nfs/dbraw/zinc/21/20/92/711212092.db2.gz WQPBVOVGLJBBBA-UHFFFAOYSA-N 2 1 248.414 3.200 20 0 BGADMP CC(C)[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000395803667 711216145 /nfs/dbraw/zinc/21/61/45/711216145.db2.gz GNFXGBJKWNCLKI-HNNXBMFYSA-N 2 1 240.435 3.406 20 0 BGADMP CC(C)[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000395803669 711215994 /nfs/dbraw/zinc/21/59/94/711215994.db2.gz GNFXGBJKWNCLKI-OAHLLOKOSA-N 2 1 240.435 3.406 20 0 BGADMP CC(C)[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000396081673 711220094 /nfs/dbraw/zinc/22/00/94/711220094.db2.gz LKFGKTQUXOTYMB-AWEZNQCLSA-N 2 1 226.408 3.016 20 0 BGADMP CC(C)[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000396081676 711220075 /nfs/dbraw/zinc/22/00/75/711220075.db2.gz LKFGKTQUXOTYMB-CQSZACIVSA-N 2 1 226.408 3.016 20 0 BGADMP CC(C)C[C@@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000396917560 711372590 /nfs/dbraw/zinc/37/25/90/711372590.db2.gz OGLAIWNLTMPLOW-HNNXBMFYSA-N 2 1 240.435 3.406 20 0 BGADMP CC(C)C[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000396917562 711373178 /nfs/dbraw/zinc/37/31/78/711373178.db2.gz OGLAIWNLTMPLOW-OAHLLOKOSA-N 2 1 240.435 3.406 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H](C)[C@@H]1CC1(C)C)C(C)C ZINC000397837050 386180686 /nfs/dbraw/zinc/18/06/86/386180686.db2.gz ONSHFXICBFTMDB-KBPBESRZSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H](C)[C@@H]1CC1(C)C)C(C)C ZINC000397837051 262746279 /nfs/dbraw/zinc/74/62/79/262746279.db2.gz ONSHFXICBFTMDB-KGLIPLIRSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H](C)[C@H]1CC1(C)C)C(C)C ZINC000397837052 386180551 /nfs/dbraw/zinc/18/05/51/386180551.db2.gz ONSHFXICBFTMDB-UONOGXRCSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H](C)[C@H]1CC1(C)C)C(C)C ZINC000397837053 262746306 /nfs/dbraw/zinc/74/63/06/262746306.db2.gz ONSHFXICBFTMDB-ZIAGYGMSSA-N 2 1 240.435 3.129 20 0 BGADMP [NH3+]CCC[N@@H+](CCC1CCC1)Cc1ccccc1 ZINC000398928454 488225244 /nfs/dbraw/zinc/22/52/44/488225244.db2.gz QIBOPYJCUGJPFZ-UHFFFAOYSA-N 2 1 246.398 3.028 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399018784 711419205 /nfs/dbraw/zinc/41/92/05/711419205.db2.gz DHCDWMFJSFRHFL-HZSPNIEDSA-N 2 1 226.408 3.075 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399018787 711418769 /nfs/dbraw/zinc/41/87/69/711418769.db2.gz DHCDWMFJSFRHFL-IHRRRGAJSA-N 2 1 226.408 3.075 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399018789 711418920 /nfs/dbraw/zinc/41/89/20/711418920.db2.gz DHCDWMFJSFRHFL-MELADBBJSA-N 2 1 226.408 3.075 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399018791 711418427 /nfs/dbraw/zinc/41/84/27/711418427.db2.gz DHCDWMFJSFRHFL-RDBSUJKOSA-N 2 1 226.408 3.075 20 0 BGADMP CC[C@H]1C[C@H](C)C[N@H+]1CCCCCCC[NH3+] ZINC000399039201 711418614 /nfs/dbraw/zinc/41/86/14/711418614.db2.gz QLUSMYOOLDJQSS-KBPBESRZSA-N 2 1 226.408 3.016 20 0 BGADMP CC[C@H]1C[C@@H](C)C[N@H+]1CCCCCCC[NH3+] ZINC000399039202 711418810 /nfs/dbraw/zinc/41/88/10/711418810.db2.gz QLUSMYOOLDJQSS-KGLIPLIRSA-N 2 1 226.408 3.016 20 0 BGADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCCCCCC[NH3+] ZINC000399039203 711418629 /nfs/dbraw/zinc/41/86/29/711418629.db2.gz QLUSMYOOLDJQSS-UONOGXRCSA-N 2 1 226.408 3.016 20 0 BGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CCCCCCC[NH3+] ZINC000399039205 711418798 /nfs/dbraw/zinc/41/87/98/711418798.db2.gz QLUSMYOOLDJQSS-ZIAGYGMSSA-N 2 1 226.408 3.016 20 0 BGADMP CC[C@@]1(C)CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000399485304 711431061 /nfs/dbraw/zinc/43/10/61/711431061.db2.gz SGRKHYBQVIVIJJ-AWEZNQCLSA-N 2 1 226.408 3.018 20 0 BGADMP CC[C@]1(C)CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000399485306 711430803 /nfs/dbraw/zinc/43/08/03/711430803.db2.gz SGRKHYBQVIVIJJ-CQSZACIVSA-N 2 1 226.408 3.018 20 0 BGADMP C[N@@H+](CCCCCCC[NH3+])CCC(C)(C)C ZINC000399690938 711434110 /nfs/dbraw/zinc/43/41/10/711434110.db2.gz GNEJVGPWFPRERY-UHFFFAOYSA-N 2 1 228.424 3.264 20 0 BGADMP C[N@@H+](CCCC1CC[NH2+]CC1)CCC(C)(C)C ZINC000399795104 411065108 /nfs/dbraw/zinc/06/51/08/411065108.db2.gz SGSBPCZCPVPORR-UHFFFAOYSA-N 2 1 240.435 3.134 20 0 BGADMP CCC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000400322617 528239247 /nfs/dbraw/zinc/23/92/47/528239247.db2.gz AHPICCURROYAFT-BMFZPTHFSA-N 2 1 246.398 3.258 20 0 BGADMP CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000400322619 528233670 /nfs/dbraw/zinc/23/36/70/528233670.db2.gz AHPICCURROYAFT-BPUTZDHNSA-N 2 1 246.398 3.258 20 0 BGADMP CCC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000400322621 528234893 /nfs/dbraw/zinc/23/48/93/528234893.db2.gz AHPICCURROYAFT-IMJJTQAJSA-N 2 1 246.398 3.258 20 0 BGADMP CCC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000400322622 528239149 /nfs/dbraw/zinc/23/91/49/528239149.db2.gz AHPICCURROYAFT-KBMXLJTQSA-N 2 1 246.398 3.258 20 0 BGADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000400323167 529650858 /nfs/dbraw/zinc/65/08/58/529650858.db2.gz ANFJQZYRQUVQLD-BPUTZDHNSA-N 2 1 246.398 3.176 20 0 BGADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000400323169 529651192 /nfs/dbraw/zinc/65/11/92/529651192.db2.gz ANFJQZYRQUVQLD-CWRNSKLLSA-N 2 1 246.398 3.176 20 0 BGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000400323172 529665674 /nfs/dbraw/zinc/66/56/74/529665674.db2.gz ANFJQZYRQUVQLD-KBMXLJTQSA-N 2 1 246.398 3.176 20 0 BGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000400323175 529666589 /nfs/dbraw/zinc/66/65/89/529666589.db2.gz ANFJQZYRQUVQLD-VNQPRFMTSA-N 2 1 246.398 3.176 20 0 BGADMP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000400447870 529126849 /nfs/dbraw/zinc/12/68/49/529126849.db2.gz QCCINMWKUSBSOP-BMFZPTHFSA-N 2 1 246.398 3.114 20 0 BGADMP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000400447874 529125484 /nfs/dbraw/zinc/12/54/84/529125484.db2.gz QCCINMWKUSBSOP-BPUTZDHNSA-N 2 1 246.398 3.114 20 0 BGADMP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000400447878 529125637 /nfs/dbraw/zinc/12/56/37/529125637.db2.gz QCCINMWKUSBSOP-IMJJTQAJSA-N 2 1 246.398 3.114 20 0 BGADMP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000400447882 529126157 /nfs/dbraw/zinc/12/61/57/529126157.db2.gz QCCINMWKUSBSOP-KBMXLJTQSA-N 2 1 246.398 3.114 20 0 BGADMP CC(C)(CC[N@H+]1CCCC[C@H]1CC[NH3+])C1CC1 ZINC000405982728 487585589 /nfs/dbraw/zinc/58/55/89/487585589.db2.gz BCANGPODXSZIML-AWEZNQCLSA-N 2 1 238.419 3.016 20 0 BGADMP CC(C)(CC[N@H+]1CCCC[C@@H]1CC[NH3+])C1CC1 ZINC000405982731 487495422 /nfs/dbraw/zinc/49/54/22/487495422.db2.gz BCANGPODXSZIML-CQSZACIVSA-N 2 1 238.419 3.016 20 0 BGADMP CCC(CC)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000409444866 191011550 /nfs/dbraw/zinc/01/15/50/191011550.db2.gz AKTRLRAWNSQKFP-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000409444866 191011547 /nfs/dbraw/zinc/01/15/47/191011547.db2.gz AKTRLRAWNSQKFP-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000409444866 191011545 /nfs/dbraw/zinc/01/15/45/191011545.db2.gz AKTRLRAWNSQKFP-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000409444867 191011162 /nfs/dbraw/zinc/01/11/62/191011162.db2.gz AKTRLRAWNSQKFP-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000409444867 191011161 /nfs/dbraw/zinc/01/11/61/191011161.db2.gz AKTRLRAWNSQKFP-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000409444867 191011158 /nfs/dbraw/zinc/01/11/58/191011158.db2.gz AKTRLRAWNSQKFP-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000409444890 191011774 /nfs/dbraw/zinc/01/17/74/191011774.db2.gz SCNGVRPDIQBADH-UHFFFAOYSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000409444893 191012387 /nfs/dbraw/zinc/01/23/87/191012387.db2.gz WSMGEYFHIOWPHM-DZGCQCFKSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000409444893 191012385 /nfs/dbraw/zinc/01/23/85/191012385.db2.gz WSMGEYFHIOWPHM-DZGCQCFKSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000409444893 191012382 /nfs/dbraw/zinc/01/23/82/191012382.db2.gz WSMGEYFHIOWPHM-DZGCQCFKSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000409444894 191012331 /nfs/dbraw/zinc/01/23/31/191012331.db2.gz WSMGEYFHIOWPHM-HIFRSBDPSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000409444894 191012328 /nfs/dbraw/zinc/01/23/28/191012328.db2.gz WSMGEYFHIOWPHM-HIFRSBDPSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000409444894 191012327 /nfs/dbraw/zinc/01/23/27/191012327.db2.gz WSMGEYFHIOWPHM-HIFRSBDPSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000409444895 191011504 /nfs/dbraw/zinc/01/15/04/191011504.db2.gz WSMGEYFHIOWPHM-UKRRQHHQSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000409444895 191011501 /nfs/dbraw/zinc/01/15/01/191011501.db2.gz WSMGEYFHIOWPHM-UKRRQHHQSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000409444895 191011498 /nfs/dbraw/zinc/01/14/98/191011498.db2.gz WSMGEYFHIOWPHM-UKRRQHHQSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000409444896 191011852 /nfs/dbraw/zinc/01/18/52/191011852.db2.gz WSMGEYFHIOWPHM-ZFWWWQNUSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000409444896 191011849 /nfs/dbraw/zinc/01/18/49/191011849.db2.gz WSMGEYFHIOWPHM-ZFWWWQNUSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000409444896 191011846 /nfs/dbraw/zinc/01/18/46/191011846.db2.gz WSMGEYFHIOWPHM-ZFWWWQNUSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC000410392543 191029518 /nfs/dbraw/zinc/02/95/18/191029518.db2.gz PJYPXOIOYSEWNV-AWEZNQCLSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC000410392543 191029515 /nfs/dbraw/zinc/02/95/15/191029515.db2.gz PJYPXOIOYSEWNV-AWEZNQCLSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)CC(C)C)CC1 ZINC000410392544 191029100 /nfs/dbraw/zinc/02/91/00/191029100.db2.gz PJYPXOIOYSEWNV-CQSZACIVSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)CC(C)C)CC1 ZINC000410392544 191029098 /nfs/dbraw/zinc/02/90/98/191029098.db2.gz PJYPXOIOYSEWNV-CQSZACIVSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[NH+](C)CCC(C)CC[N@H+](C)CCC ZINC000411210185 191169394 /nfs/dbraw/zinc/16/93/94/191169394.db2.gz LPOVHSFQRZSWJN-UHFFFAOYSA-N 2 1 228.424 3.086 20 0 BGADMP CC[N@@H+](CCCn1cc[nH+]c1C)C1CC(C)(C)C1 ZINC000412045491 191244489 /nfs/dbraw/zinc/24/44/89/191244489.db2.gz ZHCWFBAYXQOJEN-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP CC[N@H+](CCCn1cc[nH+]c1C)C1CC(C)(C)C1 ZINC000412045491 191244486 /nfs/dbraw/zinc/24/44/86/191244486.db2.gz ZHCWFBAYXQOJEN-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412050297 191245408 /nfs/dbraw/zinc/24/54/08/191245408.db2.gz XXIYUEKYBQMYPZ-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)C[C@H]1C ZINC000412050297 191245406 /nfs/dbraw/zinc/24/54/06/191245406.db2.gz XXIYUEKYBQMYPZ-CYBMUJFWSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412050299 191246275 /nfs/dbraw/zinc/24/62/75/191246275.db2.gz XXIYUEKYBQMYPZ-ZDUSSCGKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412050299 191246272 /nfs/dbraw/zinc/24/62/72/191246272.db2.gz XXIYUEKYBQMYPZ-ZDUSSCGKSA-N 2 1 249.402 3.092 20 0 BGADMP CCCc1nccn1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000413003406 191336469 /nfs/dbraw/zinc/33/64/69/191336469.db2.gz UNONIARWQBDJCS-AWEZNQCLSA-N 2 1 249.402 3.099 20 0 BGADMP CCCc1nccn1C[C@H]1CCCC[N@H+]1C(C)C ZINC000413003413 191337257 /nfs/dbraw/zinc/33/72/57/191337257.db2.gz UNONIARWQBDJCS-CQSZACIVSA-N 2 1 249.402 3.099 20 0 BGADMP C[N@@H+](CCCC1CCCCC1)C1CC[NH2+]CC1 ZINC000414659105 398007467 /nfs/dbraw/zinc/00/74/67/398007467.db2.gz RUBOGPUIOKSLAA-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@@H+](CCC1CCCCCC1)C1CC[NH2+]CC1 ZINC000414662879 386102076 /nfs/dbraw/zinc/10/20/76/386102076.db2.gz ZYHLXIOQZAIGST-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@@H+](CCC[NH3+])[C@@H](CC)c1ccccc1 ZINC000414675563 386154208 /nfs/dbraw/zinc/15/42/08/386154208.db2.gz MDMZXDJYTBTQEL-HNNXBMFYSA-N 2 1 234.387 3.199 20 0 BGADMP CCC[N@@H+](CCC[NH3+])[C@H](CC)c1ccccc1 ZINC000414675564 386155657 /nfs/dbraw/zinc/15/56/57/386155657.db2.gz MDMZXDJYTBTQEL-OAHLLOKOSA-N 2 1 234.387 3.199 20 0 BGADMP CC[N@@H+](CCC[NH3+])Cc1ccc2ccccc2c1 ZINC000414679890 386162426 /nfs/dbraw/zinc/16/24/26/386162426.db2.gz SIUGCFMKBKSIEZ-UHFFFAOYSA-N 2 1 242.366 3.011 20 0 BGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000414682107 386167863 /nfs/dbraw/zinc/16/78/63/386167863.db2.gz QPJDQGYFGAJRCD-CVEARBPZSA-N 2 1 246.398 3.197 20 0 BGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000414682107 386167859 /nfs/dbraw/zinc/16/78/59/386167859.db2.gz QPJDQGYFGAJRCD-CVEARBPZSA-N 2 1 246.398 3.197 20 0 BGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000414682109 386166974 /nfs/dbraw/zinc/16/69/74/386166974.db2.gz QPJDQGYFGAJRCD-HOTGVXAUSA-N 2 1 246.398 3.197 20 0 BGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000414682109 386166968 /nfs/dbraw/zinc/16/69/68/386166968.db2.gz QPJDQGYFGAJRCD-HOTGVXAUSA-N 2 1 246.398 3.197 20 0 BGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000414682111 386168380 /nfs/dbraw/zinc/16/83/80/386168380.db2.gz QPJDQGYFGAJRCD-HZPDHXFCSA-N 2 1 246.398 3.197 20 0 BGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000414682111 386168375 /nfs/dbraw/zinc/16/83/75/386168375.db2.gz QPJDQGYFGAJRCD-HZPDHXFCSA-N 2 1 246.398 3.197 20 0 BGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000414682112 386167977 /nfs/dbraw/zinc/16/79/77/386167977.db2.gz QPJDQGYFGAJRCD-JKSUJKDBSA-N 2 1 246.398 3.197 20 0 BGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000414682112 386167972 /nfs/dbraw/zinc/16/79/72/386167972.db2.gz QPJDQGYFGAJRCD-JKSUJKDBSA-N 2 1 246.398 3.197 20 0 BGADMP CCCCC[N@@H+](CCC[NH3+])[C@H](C)CCC ZINC000414686951 386177418 /nfs/dbraw/zinc/17/74/18/386177418.db2.gz GOWJHBPAXUNBED-CYBMUJFWSA-N 2 1 214.397 3.016 20 0 BGADMP CCCCC[N@@H+](CCC[NH3+])[C@@H](C)CCC ZINC000414686952 386177194 /nfs/dbraw/zinc/17/71/94/386177194.db2.gz GOWJHBPAXUNBED-ZDUSSCGKSA-N 2 1 214.397 3.016 20 0 BGADMP CC[N@@H+](CCC[NH3+])[C@H](C)c1cc2ccccc2o1 ZINC000414690795 386186337 /nfs/dbraw/zinc/18/63/37/386186337.db2.gz NUOAGVYZMONRPM-GFCCVEGCSA-N 2 1 246.354 3.165 20 0 BGADMP CC[N@@H+](CCC[NH3+])[C@@H](C)c1cc2ccccc2o1 ZINC000414690804 386185527 /nfs/dbraw/zinc/18/55/27/386185527.db2.gz NUOAGVYZMONRPM-LBPRGKRZSA-N 2 1 246.354 3.165 20 0 BGADMP Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CCC[NH3+])cc1 ZINC000414706932 386222535 /nfs/dbraw/zinc/22/25/35/386222535.db2.gz OVDWROXCENOJHU-GDBMZVCRSA-N 2 1 246.398 3.117 20 0 BGADMP Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2CCC[NH3+])cc1 ZINC000414706936 386223329 /nfs/dbraw/zinc/22/33/29/386223329.db2.gz OVDWROXCENOJHU-GOEBONIOSA-N 2 1 246.398 3.117 20 0 BGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CCC[NH3+])cc1 ZINC000414706940 386221973 /nfs/dbraw/zinc/22/19/73/386221973.db2.gz OVDWROXCENOJHU-HOCLYGCPSA-N 2 1 246.398 3.117 20 0 BGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CCC[NH3+])cc1 ZINC000414706944 386221494 /nfs/dbraw/zinc/22/14/94/386221494.db2.gz OVDWROXCENOJHU-ZBFHGGJFSA-N 2 1 246.398 3.117 20 0 BGADMP CC(C)c1ccc([C@@H]2CCC[N@H+]2CCC[NH3+])cc1 ZINC000414707570 487818939 /nfs/dbraw/zinc/81/89/39/487818939.db2.gz OGHZSIILGNIZBJ-INIZCTEOSA-N 2 1 246.398 3.296 20 0 BGADMP CC(C)c1ccc([C@H]2CCC[N@H+]2CCC[NH3+])cc1 ZINC000414707574 487819068 /nfs/dbraw/zinc/81/90/68/487819068.db2.gz OGHZSIILGNIZBJ-MRXNPFEDSA-N 2 1 246.398 3.296 20 0 BGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000414707819 386218522 /nfs/dbraw/zinc/21/85/22/386218522.db2.gz CGDXREAVJPHIGO-CABCVRRESA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000414707827 386218716 /nfs/dbraw/zinc/21/87/16/386218716.db2.gz CGDXREAVJPHIGO-GJZGRUSLSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000414707829 386218737 /nfs/dbraw/zinc/21/87/37/386218737.db2.gz CGDXREAVJPHIGO-HUUCEWRRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000414707831 386220562 /nfs/dbraw/zinc/22/05/62/386220562.db2.gz CGDXREAVJPHIGO-LSDHHAIUSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)C[C@H]([NH3+])C[NH2+]C1(c2ccccc2)CCC1 ZINC000414708976 386221932 /nfs/dbraw/zinc/22/19/32/386221932.db2.gz OHPNZOQRJCPSNS-HNNXBMFYSA-N 2 1 246.398 3.029 20 0 BGADMP CC(C)C[C@@H]([NH3+])C[NH2+]C1(c2ccccc2)CCC1 ZINC000414708979 386221824 /nfs/dbraw/zinc/22/18/24/386221824.db2.gz OHPNZOQRJCPSNS-OAHLLOKOSA-N 2 1 246.398 3.029 20 0 BGADMP Cc1cccc([C@@H]2CCCC[N@H+]2CCC[NH3+])c1C ZINC000414713531 386233699 /nfs/dbraw/zinc/23/36/99/386233699.db2.gz WBGDYEDRHUQPPQ-INIZCTEOSA-N 2 1 246.398 3.179 20 0 BGADMP Cc1cccc([C@H]2CCCC[N@H+]2CCC[NH3+])c1C ZINC000414713537 386233975 /nfs/dbraw/zinc/23/39/75/386233975.db2.gz WBGDYEDRHUQPPQ-MRXNPFEDSA-N 2 1 246.398 3.179 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](CCC[NH3+])CC1CCC1 ZINC000414715999 386243981 /nfs/dbraw/zinc/24/39/81/386243981.db2.gz WKHMPVWWRFQNDM-AWEZNQCLSA-N 2 1 246.398 3.199 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](CCC[NH3+])CC1CCC1 ZINC000414716002 386244545 /nfs/dbraw/zinc/24/45/45/386244545.db2.gz WKHMPVWWRFQNDM-CQSZACIVSA-N 2 1 246.398 3.199 20 0 BGADMP Cc1cccc(C(C)(C)[NH2+]C[C@@H]([NH3+])CC(C)C)c1 ZINC000414717640 386243754 /nfs/dbraw/zinc/24/37/54/386243754.db2.gz ZSTWXQVKMBFOEC-HNNXBMFYSA-N 2 1 248.414 3.193 20 0 BGADMP Cc1cccc(C(C)(C)[NH2+]C[C@H]([NH3+])CC(C)C)c1 ZINC000414717645 386244815 /nfs/dbraw/zinc/24/48/15/386244815.db2.gz ZSTWXQVKMBFOEC-OAHLLOKOSA-N 2 1 248.414 3.193 20 0 BGADMP CC(C)(C)[NH2+]CC[N@H+]1CCCC12CCCCC2 ZINC000414733005 386292016 /nfs/dbraw/zinc/29/20/16/386292016.db2.gz CBTLZEFBHCODIL-UHFFFAOYSA-N 2 1 238.419 3.173 20 0 BGADMP CC(C)(C)[NH2+]CC[N@H+]1CCCC2(CCCC2)C1 ZINC000414743797 386337409 /nfs/dbraw/zinc/33/74/09/386337409.db2.gz OZVHDRNGXHTRMK-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)(C)[NH2+]CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000414743797 386337407 /nfs/dbraw/zinc/33/74/07/386337407.db2.gz OZVHDRNGXHTRMK-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(Cl)cs1 ZINC000414803473 386599000 /nfs/dbraw/zinc/59/90/00/386599000.db2.gz CWNDZCGOHAQELH-UHFFFAOYSA-N 2 1 246.807 3.009 20 0 BGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc2ccccc2o1 ZINC000414804746 386610100 /nfs/dbraw/zinc/61/01/00/386610100.db2.gz OBNKSKJVAGUOBW-UHFFFAOYSA-N 2 1 246.354 3.040 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(CC)CC1 ZINC000414805857 386606329 /nfs/dbraw/zinc/60/63/29/386606329.db2.gz BDVLPLDLDPNCJS-JXQTWKCFSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(CC)CC1 ZINC000414805860 386606572 /nfs/dbraw/zinc/60/65/72/386606572.db2.gz BDVLPLDLDPNCJS-RUXDESIVSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000414805872 386606294 /nfs/dbraw/zinc/60/62/94/386606294.db2.gz BFYFTBQYFYPFOV-QLFBSQMISA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000414805875 386605108 /nfs/dbraw/zinc/60/51/08/386605108.db2.gz BFYFTBQYFYPFOV-RBSFLKMASA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000414805877 386605151 /nfs/dbraw/zinc/60/51/51/386605151.db2.gz BFYFTBQYFYPFOV-RRFJBIMHSA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000414805879 386606433 /nfs/dbraw/zinc/60/64/33/386606433.db2.gz BFYFTBQYFYPFOV-SOUVJXGZSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H](CCC1CCCCC1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414806319 386614099 /nfs/dbraw/zinc/61/40/99/386614099.db2.gz MWXQEBPDDPCTAG-DOMZBBRYSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H](CCC1CCCCC1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414806321 386614025 /nfs/dbraw/zinc/61/40/25/386614025.db2.gz MWXQEBPDDPCTAG-IUODEOHRSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](CCC1CCCCC1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414806322 386614965 /nfs/dbraw/zinc/61/49/65/386614965.db2.gz MWXQEBPDDPCTAG-SWLSCSKDSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](CCC1CCCCC1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414806324 386614707 /nfs/dbraw/zinc/61/47/07/386614707.db2.gz MWXQEBPDDPCTAG-WFASDCNBSA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H](CC)c1ccccc1 ZINC000414807271 386618702 /nfs/dbraw/zinc/61/87/02/386618702.db2.gz CLKSNNGRVAUEOE-GDBMZVCRSA-N 2 1 248.414 3.287 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H](CC)c1ccccc1 ZINC000414807274 386618524 /nfs/dbraw/zinc/61/85/24/386618524.db2.gz CLKSNNGRVAUEOE-GOEBONIOSA-N 2 1 248.414 3.287 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@H](CC)c1ccccc1 ZINC000414807278 386618943 /nfs/dbraw/zinc/61/89/43/386618943.db2.gz CLKSNNGRVAUEOE-HOCLYGCPSA-N 2 1 248.414 3.287 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@@H](CC)c1ccccc1 ZINC000414807281 386617907 /nfs/dbraw/zinc/61/79/07/386617907.db2.gz CLKSNNGRVAUEOE-ZBFHGGJFSA-N 2 1 248.414 3.287 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1coc2ccccc12 ZINC000414809820 386620046 /nfs/dbraw/zinc/62/00/46/386620046.db2.gz HAZPJUXLANWEAJ-CYBMUJFWSA-N 2 1 246.354 3.040 20 0 BGADMP CCCC[C@H](CN)[NH2+]Cc1coc2ccccc12 ZINC000414809820 386620041 /nfs/dbraw/zinc/62/00/41/386620041.db2.gz HAZPJUXLANWEAJ-CYBMUJFWSA-N 2 1 246.354 3.040 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1coc2ccccc12 ZINC000414809821 386620724 /nfs/dbraw/zinc/62/07/24/386620724.db2.gz HAZPJUXLANWEAJ-ZDUSSCGKSA-N 2 1 246.354 3.040 20 0 BGADMP CCCC[C@@H](CN)[NH2+]Cc1coc2ccccc12 ZINC000414809821 386620718 /nfs/dbraw/zinc/62/07/18/386620718.db2.gz HAZPJUXLANWEAJ-ZDUSSCGKSA-N 2 1 246.354 3.040 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCCC(C)C ZINC000414810741 386631715 /nfs/dbraw/zinc/63/17/15/386631715.db2.gz IKQDTBRLHFDEGQ-KBPBESRZSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCCC(C)C ZINC000414810742 386631034 /nfs/dbraw/zinc/63/10/34/386631034.db2.gz IKQDTBRLHFDEGQ-KGLIPLIRSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCCC(C)C ZINC000414810743 386630460 /nfs/dbraw/zinc/63/04/60/386630460.db2.gz IKQDTBRLHFDEGQ-UONOGXRCSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCCC(C)C ZINC000414810744 386631241 /nfs/dbraw/zinc/63/12/41/386631241.db2.gz IKQDTBRLHFDEGQ-ZIAGYGMSSA-N 2 1 228.424 3.308 20 0 BGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414812130 386638809 /nfs/dbraw/zinc/63/88/09/386638809.db2.gz QXBAHYJAXQODFQ-UHFFFAOYSA-N 2 1 246.398 3.171 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000414812417 386640424 /nfs/dbraw/zinc/64/04/24/386640424.db2.gz KZCBNISMQHNQQT-BFHYXJOUSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000414812420 386640652 /nfs/dbraw/zinc/64/06/52/386640652.db2.gz KZCBNISMQHNQQT-HZSPNIEDSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000414812423 386638697 /nfs/dbraw/zinc/63/86/97/386638697.db2.gz KZCBNISMQHNQQT-MELADBBJSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000414812424 191578978 /nfs/dbraw/zinc/57/89/78/191578978.db2.gz KZCBNISMQHNQQT-MGPQQGTHSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)C[C@@H](C)CC ZINC000414813148 386641976 /nfs/dbraw/zinc/64/19/76/386641976.db2.gz MAWHPISKSGKBBF-BFHYXJOUSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)C[C@H](C)CC ZINC000414813149 191578737 /nfs/dbraw/zinc/57/87/37/191578737.db2.gz MAWHPISKSGKBBF-HZSPNIEDSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000414813151 386642388 /nfs/dbraw/zinc/64/23/88/386642388.db2.gz MAWHPISKSGKBBF-MELADBBJSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)C[C@H](C)CC ZINC000414813152 386642992 /nfs/dbraw/zinc/64/29/92/386642992.db2.gz MAWHPISKSGKBBF-MGPQQGTHSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414813595 386637901 /nfs/dbraw/zinc/63/79/01/386637901.db2.gz MQKRBIIXFISJFG-INIZCTEOSA-N 2 1 246.398 3.171 20 0 BGADMP CCCC[C@@H](CN)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414813595 386637896 /nfs/dbraw/zinc/63/78/96/386637896.db2.gz MQKRBIIXFISJFG-INIZCTEOSA-N 2 1 246.398 3.171 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414813596 386636913 /nfs/dbraw/zinc/63/69/13/386636913.db2.gz MQKRBIIXFISJFG-MRXNPFEDSA-N 2 1 246.398 3.171 20 0 BGADMP CCCC[C@H](CN)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414813596 386636909 /nfs/dbraw/zinc/63/69/09/386636909.db2.gz MQKRBIIXFISJFG-MRXNPFEDSA-N 2 1 246.398 3.171 20 0 BGADMP CCC([NH3+])(CC)C[NH2+]Cc1coc2ccccc12 ZINC000414814693 386646213 /nfs/dbraw/zinc/64/62/13/386646213.db2.gz VYWBANHKSZGTTD-UHFFFAOYSA-N 2 1 246.354 3.040 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(C(C)C)CC1 ZINC000414816329 386647299 /nfs/dbraw/zinc/64/72/99/386647299.db2.gz PLNGZRLXRVNOIL-NRXISQOPSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(C(C)C)CC1 ZINC000414816330 386644801 /nfs/dbraw/zinc/64/48/01/386644801.db2.gz PLNGZRLXRVNOIL-YMAMQOFZSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(C)(C)CC1 ZINC000414816361 191580074 /nfs/dbraw/zinc/58/00/74/191580074.db2.gz PPLGQNRRYLFBAU-CYBMUJFWSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(C)(C)CC1 ZINC000414816362 386647255 /nfs/dbraw/zinc/64/72/55/386647255.db2.gz PPLGQNRRYLFBAU-ZDUSSCGKSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1 ZINC000414816411 386645153 /nfs/dbraw/zinc/64/51/53/386645153.db2.gz PUVWHSOMGHHWKI-GDBMZVCRSA-N 2 1 248.414 3.115 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1 ZINC000414816414 386645261 /nfs/dbraw/zinc/64/52/61/386645261.db2.gz PUVWHSOMGHHWKI-GOEBONIOSA-N 2 1 248.414 3.115 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1 ZINC000414816418 386644955 /nfs/dbraw/zinc/64/49/55/386644955.db2.gz PUVWHSOMGHHWKI-HOCLYGCPSA-N 2 1 248.414 3.115 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1 ZINC000414816421 386645645 /nfs/dbraw/zinc/64/56/45/386645645.db2.gz PUVWHSOMGHHWKI-ZBFHGGJFSA-N 2 1 248.414 3.115 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)Cc1ccccc1 ZINC000414816760 386658789 /nfs/dbraw/zinc/65/87/89/386658789.db2.gz QLSVHLAMUCTJSP-CVEARBPZSA-N 2 1 248.414 3.115 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)Cc1ccccc1 ZINC000414816761 386659121 /nfs/dbraw/zinc/65/91/21/386659121.db2.gz QLSVHLAMUCTJSP-HOTGVXAUSA-N 2 1 248.414 3.115 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)Cc1ccccc1 ZINC000414816762 386659081 /nfs/dbraw/zinc/65/90/81/386659081.db2.gz QLSVHLAMUCTJSP-HZPDHXFCSA-N 2 1 248.414 3.115 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)Cc1ccccc1 ZINC000414816763 386658821 /nfs/dbraw/zinc/65/88/21/386658821.db2.gz QLSVHLAMUCTJSP-JKSUJKDBSA-N 2 1 248.414 3.115 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]CC1CCCCCC1 ZINC000414817134 386651902 /nfs/dbraw/zinc/65/19/02/386651902.db2.gz RNAUCNWZRMIDDX-AWEZNQCLSA-N 2 1 226.408 3.064 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]CC1CCCCCC1 ZINC000414817135 386653552 /nfs/dbraw/zinc/65/35/52/386653552.db2.gz RNAUCNWZRMIDDX-CQSZACIVSA-N 2 1 226.408 3.064 20 0 BGADMP CCCC[C@@H](CC)[NH2+][C@@H](C[NH3+])CCCC ZINC000414817573 411446382 /nfs/dbraw/zinc/44/63/82/411446382.db2.gz SMTVZMAFVSUPDV-CHWSQXEVSA-N 2 1 214.397 3.062 20 0 BGADMP CCCC[C@@H](CC)[NH2+][C@H](C[NH3+])CCCC ZINC000414817575 411447403 /nfs/dbraw/zinc/44/74/03/411447403.db2.gz SMTVZMAFVSUPDV-OLZOCXBDSA-N 2 1 214.397 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)CCCC ZINC000414817576 411447129 /nfs/dbraw/zinc/44/71/29/411447129.db2.gz SMTVZMAFVSUPDV-QWHCGFSZSA-N 2 1 214.397 3.062 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H](C[NH3+])CCCC ZINC000414817577 411446443 /nfs/dbraw/zinc/44/64/43/411446443.db2.gz SMTVZMAFVSUPDV-STQMWFEESA-N 2 1 214.397 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000414817665 398042621 /nfs/dbraw/zinc/04/26/21/398042621.db2.gz SRNSILYVDWPOIH-IIAWOOMASA-N 2 1 248.414 3.286 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000414817666 398042577 /nfs/dbraw/zinc/04/25/77/398042577.db2.gz SRNSILYVDWPOIH-IJEWVQPXSA-N 2 1 248.414 3.286 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000414817667 398042671 /nfs/dbraw/zinc/04/26/71/398042671.db2.gz SRNSILYVDWPOIH-OFQRWUPVSA-N 2 1 248.414 3.286 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000414817668 398042169 /nfs/dbraw/zinc/04/21/69/398042169.db2.gz SRNSILYVDWPOIH-SQWLQELKSA-N 2 1 248.414 3.286 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]CC[C@@H](C)c1ccccc1 ZINC000414817779 398042280 /nfs/dbraw/zinc/04/22/80/398042280.db2.gz TVHMFVQQBWXFKI-GDBMZVCRSA-N 2 1 248.414 3.287 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]CC[C@H](C)c1ccccc1 ZINC000414817781 398042154 /nfs/dbraw/zinc/04/21/54/398042154.db2.gz TVHMFVQQBWXFKI-GOEBONIOSA-N 2 1 248.414 3.287 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]CC[C@H](C)c1ccccc1 ZINC000414817783 398042476 /nfs/dbraw/zinc/04/24/76/398042476.db2.gz TVHMFVQQBWXFKI-HOCLYGCPSA-N 2 1 248.414 3.287 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]CC[C@@H](C)c1ccccc1 ZINC000414817785 398042508 /nfs/dbraw/zinc/04/25/08/398042508.db2.gz TVHMFVQQBWXFKI-ZBFHGGJFSA-N 2 1 248.414 3.287 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]CCC1CCCCC1 ZINC000414817856 398042446 /nfs/dbraw/zinc/04/24/46/398042446.db2.gz TZYGMAUZCUNZJB-AWEZNQCLSA-N 2 1 226.408 3.064 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]CCC1CCCCC1 ZINC000414817857 398042504 /nfs/dbraw/zinc/04/25/04/398042504.db2.gz TZYGMAUZCUNZJB-CQSZACIVSA-N 2 1 226.408 3.064 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]C(CCC)CCC ZINC000414818620 191582458 /nfs/dbraw/zinc/58/24/58/191582458.db2.gz WGGVUVNCVZKERK-CYBMUJFWSA-N 2 1 214.397 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]C(CCC)CCC ZINC000414818621 386668394 /nfs/dbraw/zinc/66/83/94/386668394.db2.gz WGGVUVNCVZKERK-ZDUSSCGKSA-N 2 1 214.397 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC1CCCC1 ZINC000414818700 386668049 /nfs/dbraw/zinc/66/80/49/386668049.db2.gz WJTHXEPPLUVBHY-GXTWGEPZSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC1CCCC1 ZINC000414818701 386667783 /nfs/dbraw/zinc/66/77/83/386667783.db2.gz WJTHXEPPLUVBHY-JSGCOSHPSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC1CCCC1 ZINC000414818702 386666718 /nfs/dbraw/zinc/66/67/18/386666718.db2.gz WJTHXEPPLUVBHY-OCCSQVGLSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC1CCCC1 ZINC000414818703 386667834 /nfs/dbraw/zinc/66/78/34/386667834.db2.gz WJTHXEPPLUVBHY-TZMCWYRMSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccccc1C ZINC000414819686 386660109 /nfs/dbraw/zinc/66/01/09/386660109.db2.gz ZJCZSJIHIIROJO-GDBMZVCRSA-N 2 1 248.414 3.033 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1C ZINC000414819688 386661542 /nfs/dbraw/zinc/66/15/42/386661542.db2.gz ZJCZSJIHIIROJO-GOEBONIOSA-N 2 1 248.414 3.033 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1C ZINC000414819690 386660141 /nfs/dbraw/zinc/66/01/41/386660141.db2.gz ZJCZSJIHIIROJO-HOCLYGCPSA-N 2 1 248.414 3.033 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccccc1C ZINC000414819692 386662070 /nfs/dbraw/zinc/66/20/70/386662070.db2.gz ZJCZSJIHIIROJO-ZBFHGGJFSA-N 2 1 248.414 3.033 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCC1CCCC1 ZINC000414819802 386661069 /nfs/dbraw/zinc/66/10/69/386661069.db2.gz ZTRMHOFKXWUSMV-DZGCQCFKSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCC1CCCC1 ZINC000414819804 386660237 /nfs/dbraw/zinc/66/02/37/386660237.db2.gz ZTRMHOFKXWUSMV-HIFRSBDPSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCC1CCCC1 ZINC000414819805 386661950 /nfs/dbraw/zinc/66/19/50/386661950.db2.gz ZTRMHOFKXWUSMV-UKRRQHHQSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCC1CCCC1 ZINC000414819806 386661804 /nfs/dbraw/zinc/66/18/04/386661804.db2.gz ZTRMHOFKXWUSMV-ZFWWWQNUSA-N 2 1 240.435 3.452 20 0 BGADMP CC[C@H](C[NH2+][C@@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000414831522 398050768 /nfs/dbraw/zinc/05/07/68/398050768.db2.gz CIXZIBDSJQFVGE-GDBMZVCRSA-N 2 1 248.414 3.143 20 0 BGADMP CC[C@@H](C[NH2+][C@@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000414831523 398050506 /nfs/dbraw/zinc/05/05/06/398050506.db2.gz CIXZIBDSJQFVGE-GOEBONIOSA-N 2 1 248.414 3.143 20 0 BGADMP CC[C@@H](C[NH2+][C@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000414831524 398050193 /nfs/dbraw/zinc/05/01/93/398050193.db2.gz CIXZIBDSJQFVGE-HOCLYGCPSA-N 2 1 248.414 3.143 20 0 BGADMP CC[C@H](C[NH2+][C@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000414831525 398050640 /nfs/dbraw/zinc/05/06/40/398050640.db2.gz CIXZIBDSJQFVGE-ZBFHGGJFSA-N 2 1 248.414 3.143 20 0 BGADMP CC1CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414832113 386718486 /nfs/dbraw/zinc/71/84/86/386718486.db2.gz DHSLDAKIHQSUIA-PESDSKBTSA-N 2 1 238.419 3.062 20 0 BGADMP CC1CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414832115 386716809 /nfs/dbraw/zinc/71/68/09/386716809.db2.gz DHSLDAKIHQSUIA-ZALBZXLWSA-N 2 1 238.419 3.062 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCC1CCCC1 ZINC000414832116 386716386 /nfs/dbraw/zinc/71/63/86/386716386.db2.gz DIHBONCJAPCRBH-DZGCQCFKSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCC1CCCC1 ZINC000414832118 386717951 /nfs/dbraw/zinc/71/79/51/386717951.db2.gz DIHBONCJAPCRBH-HIFRSBDPSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCC1CCCC1 ZINC000414832120 386718181 /nfs/dbraw/zinc/71/81/81/386718181.db2.gz DIHBONCJAPCRBH-UKRRQHHQSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCC1CCCC1 ZINC000414832122 386718546 /nfs/dbraw/zinc/71/85/46/386718546.db2.gz DIHBONCJAPCRBH-ZFWWWQNUSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000414832426 386717734 /nfs/dbraw/zinc/71/77/34/386717734.db2.gz DMRKJIJXTSNCNG-IIAWOOMASA-N 2 1 248.414 3.142 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000414832427 386715722 /nfs/dbraw/zinc/71/57/22/386715722.db2.gz DMRKJIJXTSNCNG-IJEWVQPXSA-N 2 1 248.414 3.142 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000414832428 386716481 /nfs/dbraw/zinc/71/64/81/386716481.db2.gz DMRKJIJXTSNCNG-OFQRWUPVSA-N 2 1 248.414 3.142 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000414832431 386716273 /nfs/dbraw/zinc/71/62/73/386716273.db2.gz DMRKJIJXTSNCNG-SQWLQELKSA-N 2 1 248.414 3.142 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+]CC[C@@H](C)c1ccccc1 ZINC000414832446 386718169 /nfs/dbraw/zinc/71/81/69/386718169.db2.gz DMYRSEPXRMZGRN-GDBMZVCRSA-N 2 1 248.414 3.143 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+]CC[C@H](C)c1ccccc1 ZINC000414832448 386716259 /nfs/dbraw/zinc/71/62/59/386716259.db2.gz DMYRSEPXRMZGRN-GOEBONIOSA-N 2 1 248.414 3.143 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+]CC[C@H](C)c1ccccc1 ZINC000414832450 386716338 /nfs/dbraw/zinc/71/63/38/386716338.db2.gz DMYRSEPXRMZGRN-HOCLYGCPSA-N 2 1 248.414 3.143 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+]CC[C@@H](C)c1ccccc1 ZINC000414832452 386718468 /nfs/dbraw/zinc/71/84/68/386718468.db2.gz DMYRSEPXRMZGRN-ZBFHGGJFSA-N 2 1 248.414 3.143 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414832491 386716320 /nfs/dbraw/zinc/71/63/20/386716320.db2.gz DPGDLWJSBDWBQA-INIZCTEOSA-N 2 1 246.398 3.027 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414832493 386717560 /nfs/dbraw/zinc/71/75/60/386717560.db2.gz DPGDLWJSBDWBQA-MRXNPFEDSA-N 2 1 246.398 3.027 20 0 BGADMP CCCC[C@@H](CC)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414836236 386726318 /nfs/dbraw/zinc/72/63/18/386726318.db2.gz IHZMYBWGGGYKPK-CABCVRRESA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414836240 386727458 /nfs/dbraw/zinc/72/74/58/386727458.db2.gz IHZMYBWGGGYKPK-GJZGRUSLSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@@H](CC)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414836243 386728415 /nfs/dbraw/zinc/72/84/15/386728415.db2.gz IHZMYBWGGGYKPK-HUUCEWRRSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414836245 386727609 /nfs/dbraw/zinc/72/76/09/386727609.db2.gz IHZMYBWGGGYKPK-LSDHHAIUSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC(CCC)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414836304 386728717 /nfs/dbraw/zinc/72/87/17/386728717.db2.gz ILKBAHAKLJDXQX-HNNXBMFYSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC(CCC)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414836306 386726484 /nfs/dbraw/zinc/72/64/84/386726484.db2.gz ILKBAHAKLJDXQX-OAHLLOKOSA-N 2 1 240.435 3.452 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414839500 386746596 /nfs/dbraw/zinc/74/65/96/386746596.db2.gz LJCFIHGEVGKMGC-DZGCQCFKSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414839502 386746486 /nfs/dbraw/zinc/74/64/86/386746486.db2.gz LJCFIHGEVGKMGC-HIFRSBDPSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414839503 386746171 /nfs/dbraw/zinc/74/61/71/386746171.db2.gz LJCFIHGEVGKMGC-UKRRQHHQSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414839505 386745203 /nfs/dbraw/zinc/74/52/03/386745203.db2.gz LJCFIHGEVGKMGC-ZFWWWQNUSA-N 2 1 240.435 3.308 20 0 BGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414840060 386744769 /nfs/dbraw/zinc/74/47/69/386744769.db2.gz MDVKAZLJQSKNII-BFHYXJOUSA-N 2 1 228.424 3.164 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414840062 386746098 /nfs/dbraw/zinc/74/60/98/386746098.db2.gz MDVKAZLJQSKNII-IHRRRGAJSA-N 2 1 228.424 3.164 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414840063 386746943 /nfs/dbraw/zinc/74/69/43/386746943.db2.gz MDVKAZLJQSKNII-MELADBBJSA-N 2 1 228.424 3.164 20 0 BGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414840065 386745189 /nfs/dbraw/zinc/74/51/89/386745189.db2.gz MDVKAZLJQSKNII-MJBXVCDLSA-N 2 1 228.424 3.164 20 0 BGADMP C[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000414852073 385671806 /nfs/dbraw/zinc/67/18/06/385671806.db2.gz QFSGRMAMEBLTJG-BPLDGKMQSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000414852076 385670833 /nfs/dbraw/zinc/67/08/33/385670833.db2.gz QFSGRMAMEBLTJG-SNPRPXQTSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000414852078 385672962 /nfs/dbraw/zinc/67/29/62/385672962.db2.gz QFSGRMAMEBLTJG-VHDGCEQUSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000414852081 385672094 /nfs/dbraw/zinc/67/20/94/385672094.db2.gz QFSGRMAMEBLTJG-YUELXQCFSA-N 2 1 238.419 3.062 20 0 BGADMP [NH3+]C[C@H]([NH2+]CC1CCCCC1)C1CCCCC1 ZINC000414852163 385672550 /nfs/dbraw/zinc/67/25/50/385672550.db2.gz QJKSREBGEHMZOB-HNNXBMFYSA-N 2 1 238.419 3.064 20 0 BGADMP [NH3+]C[C@@H]([NH2+]CC1CCCCC1)C1CCCCC1 ZINC000414852166 205775500 /nfs/dbraw/zinc/77/55/00/205775500.db2.gz QJKSREBGEHMZOB-OAHLLOKOSA-N 2 1 238.419 3.064 20 0 BGADMP CCCC1CCC([NH2+][C@H](C[NH3+])CC(C)C)CC1 ZINC000414852710 385679049 /nfs/dbraw/zinc/67/90/49/385679049.db2.gz RHYGRIVTFYDVAS-NRXISQOPSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC1CCC([NH2+][C@@H](C[NH3+])CC(C)C)CC1 ZINC000414852711 200770798 /nfs/dbraw/zinc/77/07/98/200770798.db2.gz RHYGRIVTFYDVAS-YMAMQOFZSA-N 2 1 240.435 3.308 20 0 BGADMP CC[NH2+]CC[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000414853721 385689666 /nfs/dbraw/zinc/68/96/66/385689666.db2.gz XZFQPGRNAUTMGZ-INIZCTEOSA-N 2 1 248.414 3.015 20 0 BGADMP CC[NH2+]CC[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000414853723 385689122 /nfs/dbraw/zinc/68/91/22/385689122.db2.gz XZFQPGRNAUTMGZ-MRXNPFEDSA-N 2 1 248.414 3.015 20 0 BGADMP CCC[C@H](CC)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414853736 385689079 /nfs/dbraw/zinc/68/90/79/385689079.db2.gz SWNIUHZCBPISNL-KBPBESRZSA-N 2 1 226.408 3.062 20 0 BGADMP CCC[C@@H](CC)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414853737 385688631 /nfs/dbraw/zinc/68/86/31/385688631.db2.gz SWNIUHZCBPISNL-KGLIPLIRSA-N 2 1 226.408 3.062 20 0 BGADMP CCC[C@H](CC)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414853739 385688597 /nfs/dbraw/zinc/68/85/97/385688597.db2.gz SWNIUHZCBPISNL-UONOGXRCSA-N 2 1 226.408 3.062 20 0 BGADMP CCC[C@@H](CC)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414853741 385689455 /nfs/dbraw/zinc/68/94/55/385689455.db2.gz SWNIUHZCBPISNL-ZIAGYGMSSA-N 2 1 226.408 3.062 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(C(C)C)CC1 ZINC000414854748 351905753 /nfs/dbraw/zinc/90/57/53/351905753.db2.gz VJNIFMSIDQLVGJ-NRXISQOPSA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC(C(C)C)CC1 ZINC000414854749 351906106 /nfs/dbraw/zinc/90/61/06/351906106.db2.gz VJNIFMSIDQLVGJ-YMAMQOFZSA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)C[C@H](C)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855274 398064267 /nfs/dbraw/zinc/06/42/67/398064267.db2.gz WOWXAQAOJOKVDJ-DZGCQCFKSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)C[C@@H](C)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855275 398064277 /nfs/dbraw/zinc/06/42/77/398064277.db2.gz WOWXAQAOJOKVDJ-HIFRSBDPSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)C[C@@H](C)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855276 398064064 /nfs/dbraw/zinc/06/40/64/398064064.db2.gz WOWXAQAOJOKVDJ-UKRRQHHQSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)C[C@H](C)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855277 398064270 /nfs/dbraw/zinc/06/42/70/398064270.db2.gz WOWXAQAOJOKVDJ-ZFWWWQNUSA-N 2 1 240.435 3.166 20 0 BGADMP CCCC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855608 385702547 /nfs/dbraw/zinc/70/25/47/385702547.db2.gz XITOBXJWPOLULC-GXTWGEPZSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855609 385702690 /nfs/dbraw/zinc/70/26/90/385702690.db2.gz XITOBXJWPOLULC-JSGCOSHPSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855610 385703788 /nfs/dbraw/zinc/70/37/88/385703788.db2.gz XITOBXJWPOLULC-OCCSQVGLSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855611 385703999 /nfs/dbraw/zinc/70/39/99/385703999.db2.gz XITOBXJWPOLULC-TZMCWYRMSA-N 2 1 226.408 3.062 20 0 BGADMP C[C@H](CCC1CC1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855876 398064823 /nfs/dbraw/zinc/06/48/23/398064823.db2.gz XSDIUPJPUSUOKL-DOMZBBRYSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H](CCC1CC1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855877 398064902 /nfs/dbraw/zinc/06/49/02/398064902.db2.gz XSDIUPJPUSUOKL-IUODEOHRSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](CCC1CC1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414855878 398064875 /nfs/dbraw/zinc/06/48/75/398064875.db2.gz XSDIUPJPUSUOKL-SWLSCSKDSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](CCC1CC1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414855879 398065247 /nfs/dbraw/zinc/06/52/47/398065247.db2.gz XSDIUPJPUSUOKL-WFASDCNBSA-N 2 1 238.419 3.062 20 0 BGADMP CCC1(C)CCC([NH2+][C@@H](C[NH3+])CC(C)C)CC1 ZINC000414856931 385719269 /nfs/dbraw/zinc/71/92/69/385719269.db2.gz ZSFZQRYBVLZTDI-SHARSMKWSA-N 2 1 240.435 3.308 20 0 BGADMP CCC1(C)CCC([NH2+][C@H](C[NH3+])CC(C)C)CC1 ZINC000414856932 385718808 /nfs/dbraw/zinc/71/88/08/385718808.db2.gz ZSFZQRYBVLZTDI-SLTAFYQDSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414856974 385727723 /nfs/dbraw/zinc/72/77/23/385727723.db2.gz ZWJYHLMBLJUDLT-KBPBESRZSA-N 2 1 228.424 3.164 20 0 BGADMP CC(C)CCC[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414856975 385726623 /nfs/dbraw/zinc/72/66/23/385726623.db2.gz ZWJYHLMBLJUDLT-KGLIPLIRSA-N 2 1 228.424 3.164 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414856976 385728158 /nfs/dbraw/zinc/72/81/58/385728158.db2.gz ZWJYHLMBLJUDLT-UONOGXRCSA-N 2 1 228.424 3.164 20 0 BGADMP CC(C)CCC[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414856977 385728313 /nfs/dbraw/zinc/72/83/13/385728313.db2.gz ZWJYHLMBLJUDLT-ZIAGYGMSSA-N 2 1 228.424 3.164 20 0 BGADMP CCC[NH2+]CC[NH2+]C[C@H](CCC)c1ccccc1 ZINC000414870920 487726643 /nfs/dbraw/zinc/72/66/43/487726643.db2.gz MYYCKXVYVVKMSL-INIZCTEOSA-N 2 1 248.414 3.160 20 0 BGADMP CCC[NH2+]CC[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000414870922 487726400 /nfs/dbraw/zinc/72/64/00/487726400.db2.gz MYYCKXVYVVKMSL-MRXNPFEDSA-N 2 1 248.414 3.160 20 0 BGADMP CCC[NH2+]CC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000414877132 385918439 /nfs/dbraw/zinc/91/84/39/385918439.db2.gz WYISHDOCDVYFGH-INIZCTEOSA-N 2 1 248.414 3.015 20 0 BGADMP CCC[NH2+]CC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000414877134 385917713 /nfs/dbraw/zinc/91/77/13/385917713.db2.gz WYISHDOCDVYFGH-MRXNPFEDSA-N 2 1 248.414 3.015 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414921339 386582267 /nfs/dbraw/zinc/58/22/67/386582267.db2.gz ATRVCTPRVCLLCN-BMFZPTHFSA-N 2 1 246.398 3.040 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414921342 386582360 /nfs/dbraw/zinc/58/23/60/386582360.db2.gz ATRVCTPRVCLLCN-FVQBIDKESA-N 2 1 246.398 3.040 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414921345 386584460 /nfs/dbraw/zinc/58/44/60/386584460.db2.gz ATRVCTPRVCLLCN-KBMXLJTQSA-N 2 1 246.398 3.040 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414921346 386583660 /nfs/dbraw/zinc/58/36/60/386583660.db2.gz ATRVCTPRVCLLCN-VNQPRFMTSA-N 2 1 246.398 3.040 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000414931667 386765425 /nfs/dbraw/zinc/76/54/25/386765425.db2.gz RRFQQRMRILNIOC-BPLDGKMQSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000414931669 386764704 /nfs/dbraw/zinc/76/47/04/386764704.db2.gz RRFQQRMRILNIOC-SNPRPXQTSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000414931672 386765088 /nfs/dbraw/zinc/76/50/88/386765088.db2.gz RRFQQRMRILNIOC-VHDGCEQUSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000414931674 386763385 /nfs/dbraw/zinc/76/33/85/386763385.db2.gz RRFQQRMRILNIOC-YUELXQCFSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414935468 386814858 /nfs/dbraw/zinc/81/48/58/386814858.db2.gz ATRVCTPRVCLLCN-BPUTZDHNSA-N 2 1 246.398 3.040 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414935471 386815581 /nfs/dbraw/zinc/81/55/81/386815581.db2.gz ATRVCTPRVCLLCN-CWRNSKLLSA-N 2 1 246.398 3.040 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414935474 386816015 /nfs/dbraw/zinc/81/60/15/386816015.db2.gz ATRVCTPRVCLLCN-IMJJTQAJSA-N 2 1 246.398 3.040 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414935475 386815395 /nfs/dbraw/zinc/81/53/95/386815395.db2.gz ATRVCTPRVCLLCN-NUEKZKHPSA-N 2 1 246.398 3.040 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000414946154 385795200 /nfs/dbraw/zinc/79/52/00/385795200.db2.gz RRFQQRMRILNIOC-AEGPPILISA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000414946155 385795283 /nfs/dbraw/zinc/79/52/83/385795283.db2.gz RRFQQRMRILNIOC-CFVMTHIKSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000414946156 385795311 /nfs/dbraw/zinc/79/53/11/385795311.db2.gz RRFQQRMRILNIOC-NWANDNLSSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000414946157 385795254 /nfs/dbraw/zinc/79/52/54/385795254.db2.gz RRFQQRMRILNIOC-QEJZJMRPSA-N 2 1 238.419 3.062 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415043645 386530107 /nfs/dbraw/zinc/53/01/07/386530107.db2.gz ATZZJOSWAPYVIF-AEGPPILISA-N 2 1 240.435 3.308 20 0 BGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415043646 386530120 /nfs/dbraw/zinc/53/01/20/386530120.db2.gz ATZZJOSWAPYVIF-CFVMTHIKSA-N 2 1 240.435 3.308 20 0 BGADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415043648 386528724 /nfs/dbraw/zinc/52/87/24/386528724.db2.gz ATZZJOSWAPYVIF-NWANDNLSSA-N 2 1 240.435 3.308 20 0 BGADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415043649 191661117 /nfs/dbraw/zinc/66/11/17/191661117.db2.gz ATZZJOSWAPYVIF-QEJZJMRPSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@@H](CC[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000415049870 386505374 /nfs/dbraw/zinc/50/53/74/386505374.db2.gz BRKQJRXCJHRRGR-DZGCQCFKSA-N 2 1 248.414 3.143 20 0 BGADMP C[C@H](CC[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000415049872 386505382 /nfs/dbraw/zinc/50/53/82/386505382.db2.gz BRKQJRXCJHRRGR-HIFRSBDPSA-N 2 1 248.414 3.143 20 0 BGADMP C[C@H](CC[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000415049875 386505066 /nfs/dbraw/zinc/50/50/66/386505066.db2.gz BRKQJRXCJHRRGR-UKRRQHHQSA-N 2 1 248.414 3.143 20 0 BGADMP C[C@@H](CC[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000415049878 386505030 /nfs/dbraw/zinc/50/50/30/386505030.db2.gz BRKQJRXCJHRRGR-ZFWWWQNUSA-N 2 1 248.414 3.143 20 0 BGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC1CCC(C)(C)CC1 ZINC000415051445 386509734 /nfs/dbraw/zinc/50/97/34/386509734.db2.gz FMPXXUCSPJJGJE-CYBMUJFWSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC1CCC(C)(C)CC1 ZINC000415051446 386508070 /nfs/dbraw/zinc/50/80/70/386508070.db2.gz FMPXXUCSPJJGJE-ZDUSSCGKSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C2CC2)cc1 ZINC000415053990 386538676 /nfs/dbraw/zinc/53/86/76/386538676.db2.gz KYVSPFFBLDGLCW-HNNXBMFYSA-N 2 1 246.398 3.027 20 0 BGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C2CC2)cc1 ZINC000415053992 386536462 /nfs/dbraw/zinc/53/64/62/386536462.db2.gz KYVSPFFBLDGLCW-OAHLLOKOSA-N 2 1 246.398 3.027 20 0 BGADMP CC[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000415054816 386537017 /nfs/dbraw/zinc/53/70/17/386537017.db2.gz MYZAUWLJAVBLRX-DZGCQCFKSA-N 2 1 248.414 3.143 20 0 BGADMP CC[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000415054817 386536243 /nfs/dbraw/zinc/53/62/43/386536243.db2.gz MYZAUWLJAVBLRX-HIFRSBDPSA-N 2 1 248.414 3.143 20 0 BGADMP CC[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000415054818 386537543 /nfs/dbraw/zinc/53/75/43/386537543.db2.gz MYZAUWLJAVBLRX-UKRRQHHQSA-N 2 1 248.414 3.143 20 0 BGADMP CC[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000415054819 386537313 /nfs/dbraw/zinc/53/73/13/386537313.db2.gz MYZAUWLJAVBLRX-ZFWWWQNUSA-N 2 1 248.414 3.143 20 0 BGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCC1CCCCC1 ZINC000415055608 386539085 /nfs/dbraw/zinc/53/90/85/386539085.db2.gz OLXNZFRHUVHOSL-AWEZNQCLSA-N 2 1 240.435 3.310 20 0 BGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCC1CCCCC1 ZINC000415055611 386536870 /nfs/dbraw/zinc/53/68/70/386536870.db2.gz OLXNZFRHUVHOSL-CQSZACIVSA-N 2 1 240.435 3.310 20 0 BGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC1CCCCCC1 ZINC000415056034 386537254 /nfs/dbraw/zinc/53/72/54/386537254.db2.gz PCLWJAKGTZDRKE-AWEZNQCLSA-N 2 1 240.435 3.310 20 0 BGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC1CCCCCC1 ZINC000415056035 386536935 /nfs/dbraw/zinc/53/69/35/386536935.db2.gz PCLWJAKGTZDRKE-CQSZACIVSA-N 2 1 240.435 3.310 20 0 BGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)C1 ZINC000415056915 386538027 /nfs/dbraw/zinc/53/80/27/386538027.db2.gz RAGWOSKFLXJBMS-HZSPNIEDSA-N 2 1 240.435 3.166 20 0 BGADMP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)C1 ZINC000415056916 386537002 /nfs/dbraw/zinc/53/70/02/386537002.db2.gz RAGWOSKFLXJBMS-MCIONIFRSA-N 2 1 240.435 3.166 20 0 BGADMP CC[C@@H]1CCC[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)C1 ZINC000415056917 386538950 /nfs/dbraw/zinc/53/89/50/386538950.db2.gz RAGWOSKFLXJBMS-MGPQQGTHSA-N 2 1 240.435 3.166 20 0 BGADMP CC[C@@H]1CCC[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)C1 ZINC000415056918 386537636 /nfs/dbraw/zinc/53/76/36/386537636.db2.gz RAGWOSKFLXJBMS-RDBSUJKOSA-N 2 1 240.435 3.166 20 0 BGADMP CCC1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000415063036 386544516 /nfs/dbraw/zinc/54/45/16/386544516.db2.gz GQNHHUHAKACHAI-PESDSKBTSA-N 2 1 238.419 3.062 20 0 BGADMP CCC1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000415063037 386543562 /nfs/dbraw/zinc/54/35/62/386543562.db2.gz GQNHHUHAKACHAI-ZALBZXLWSA-N 2 1 238.419 3.062 20 0 BGADMP [NH3+]C[C@H]([NH2+]CCC1CCCCC1)C1CCCC1 ZINC000415063230 386543974 /nfs/dbraw/zinc/54/39/74/386543974.db2.gz HIACGUVPIGHFDV-HNNXBMFYSA-N 2 1 238.419 3.064 20 0 BGADMP [NH3+]C[C@@H]([NH2+]CCC1CCCCC1)C1CCCC1 ZINC000415063231 386543813 /nfs/dbraw/zinc/54/38/13/386543813.db2.gz HIACGUVPIGHFDV-OAHLLOKOSA-N 2 1 238.419 3.064 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063345 386543602 /nfs/dbraw/zinc/54/36/02/386543602.db2.gz HYTQPHCMPXLXRJ-KBPBESRZSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](CC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063346 386544392 /nfs/dbraw/zinc/54/43/92/386544392.db2.gz HYTQPHCMPXLXRJ-KGLIPLIRSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](CC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063347 386544171 /nfs/dbraw/zinc/54/41/71/386544171.db2.gz HYTQPHCMPXLXRJ-UONOGXRCSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](CC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063348 386544362 /nfs/dbraw/zinc/54/43/62/386544362.db2.gz HYTQPHCMPXLXRJ-ZIAGYGMSSA-N 2 1 226.408 3.062 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415065058 386548978 /nfs/dbraw/zinc/54/89/78/386548978.db2.gz MCRUVMQPSDYUEI-DZGCQCFKSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)CCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415065059 386547691 /nfs/dbraw/zinc/54/76/91/386547691.db2.gz MCRUVMQPSDYUEI-HIFRSBDPSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)CCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415065060 386547744 /nfs/dbraw/zinc/54/77/44/386547744.db2.gz MCRUVMQPSDYUEI-UKRRQHHQSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)CCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415065061 386549162 /nfs/dbraw/zinc/54/91/62/386549162.db2.gz MCRUVMQPSDYUEI-ZFWWWQNUSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC(CCC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415065200 386547538 /nfs/dbraw/zinc/54/75/38/386547538.db2.gz MIBLMYTYKNIKPG-AWEZNQCLSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC(CCC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415065201 386548613 /nfs/dbraw/zinc/54/86/13/386548613.db2.gz MIBLMYTYKNIKPG-CQSZACIVSA-N 2 1 226.408 3.062 20 0 BGADMP CC1(C)CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000415065471 386547226 /nfs/dbraw/zinc/54/72/26/386547226.db2.gz MUDBBIUHUQCTKE-AWEZNQCLSA-N 2 1 238.419 3.062 20 0 BGADMP CC1(C)CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000415065472 386548234 /nfs/dbraw/zinc/54/82/34/386548234.db2.gz MUDBBIUHUQCTKE-CQSZACIVSA-N 2 1 238.419 3.062 20 0 BGADMP [NH3+]C[C@H]([NH2+]CC1CCCCCC1)C1CCCC1 ZINC000415067499 191666439 /nfs/dbraw/zinc/66/64/39/191666439.db2.gz PPLCBCDEIFBPTG-HNNXBMFYSA-N 2 1 238.419 3.064 20 0 BGADMP [NH3+]C[C@@H]([NH2+]CC1CCCCCC1)C1CCCC1 ZINC000415067500 386547438 /nfs/dbraw/zinc/54/74/38/386547438.db2.gz PPLCBCDEIFBPTG-OAHLLOKOSA-N 2 1 238.419 3.064 20 0 BGADMP C[C@H](CC1CCCC1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071250 386557777 /nfs/dbraw/zinc/55/77/77/386557777.db2.gz WHNYKOYFMYZMQX-DOMZBBRYSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H](CC1CCCC1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071251 386557713 /nfs/dbraw/zinc/55/77/13/386557713.db2.gz WHNYKOYFMYZMQX-IUODEOHRSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](CC1CCCC1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071252 386557070 /nfs/dbraw/zinc/55/70/70/386557070.db2.gz WHNYKOYFMYZMQX-SWLSCSKDSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](CC1CCCC1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071253 386556780 /nfs/dbraw/zinc/55/67/80/386556780.db2.gz WHNYKOYFMYZMQX-WFASDCNBSA-N 2 1 238.419 3.062 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000415073822 386571759 /nfs/dbraw/zinc/57/17/59/386571759.db2.gz ZUDGOOXBJFNGQY-BPLDGKMQSA-N 2 1 238.419 3.062 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000415073823 386571598 /nfs/dbraw/zinc/57/15/98/386571598.db2.gz ZUDGOOXBJFNGQY-SNPRPXQTSA-N 2 1 238.419 3.062 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000415073824 191671160 /nfs/dbraw/zinc/67/11/60/191671160.db2.gz ZUDGOOXBJFNGQY-VHDGCEQUSA-N 2 1 238.419 3.062 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000415073825 386571673 /nfs/dbraw/zinc/57/16/73/386571673.db2.gz ZUDGOOXBJFNGQY-YUELXQCFSA-N 2 1 238.419 3.062 20 0 BGADMP CC[C@H]([NH2+]C[C@H]([NH3+])CC(C)C)c1cccs1 ZINC000415090252 386610913 /nfs/dbraw/zinc/61/09/13/386610913.db2.gz YSMXDWFOWFGGKT-NEPJUHHUSA-N 2 1 240.416 3.162 20 0 BGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(C)C)c1cccs1 ZINC000415090253 386609565 /nfs/dbraw/zinc/60/95/65/386609565.db2.gz YSMXDWFOWFGGKT-NWDGAFQWSA-N 2 1 240.416 3.162 20 0 BGADMP CC[C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)c1cccs1 ZINC000415090254 386609894 /nfs/dbraw/zinc/60/98/94/386609894.db2.gz YSMXDWFOWFGGKT-RYUDHWBXSA-N 2 1 240.416 3.162 20 0 BGADMP CC[C@@H]([NH2+]C[C@H]([NH3+])CC(C)C)c1cccs1 ZINC000415090255 386609742 /nfs/dbraw/zinc/60/97/42/386609742.db2.gz YSMXDWFOWFGGKT-VXGBXAGGSA-N 2 1 240.416 3.162 20 0 BGADMP CCC[C@@H](C[N@@H+](C)CCC[NH2+]C)c1ccccc1 ZINC000415135333 386631363 /nfs/dbraw/zinc/63/13/63/386631363.db2.gz QFNRGEZMRAETBF-INIZCTEOSA-N 2 1 248.414 3.112 20 0 BGADMP CCC[C@H](C[N@@H+](C)CCC[NH2+]C)c1ccccc1 ZINC000415135335 386633670 /nfs/dbraw/zinc/63/36/70/386633670.db2.gz QFNRGEZMRAETBF-MRXNPFEDSA-N 2 1 248.414 3.112 20 0 BGADMP CCC[N@@H+](C[C@H](C)[NH3+])[C@H](CC)c1ccccc1 ZINC000420295858 192205261 /nfs/dbraw/zinc/20/52/61/192205261.db2.gz BAXVFVJPCMSTNV-DZGCQCFKSA-N 2 1 234.387 3.197 20 0 BGADMP CCC[N@@H+](C[C@@H](C)[NH3+])[C@@H](CC)c1ccccc1 ZINC000420295862 192204477 /nfs/dbraw/zinc/20/44/77/192204477.db2.gz BAXVFVJPCMSTNV-HIFRSBDPSA-N 2 1 234.387 3.197 20 0 BGADMP CCC[N@@H+](C[C@@H](C)[NH3+])[C@H](CC)c1ccccc1 ZINC000420295864 192205622 /nfs/dbraw/zinc/20/56/22/192205622.db2.gz BAXVFVJPCMSTNV-UKRRQHHQSA-N 2 1 234.387 3.197 20 0 BGADMP CCC[N@@H+](C[C@H](C)[NH3+])[C@@H](CC)c1ccccc1 ZINC000420295866 192205975 /nfs/dbraw/zinc/20/59/75/192205975.db2.gz BAXVFVJPCMSTNV-ZFWWWQNUSA-N 2 1 234.387 3.197 20 0 BGADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000420298301 192204442 /nfs/dbraw/zinc/20/44/42/192204442.db2.gz DWTULFZCTWGGSJ-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000420298303 192204976 /nfs/dbraw/zinc/20/49/76/192204976.db2.gz DWTULFZCTWGGSJ-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH3+])C[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000420298524 192205691 /nfs/dbraw/zinc/20/56/91/192205691.db2.gz HNNFSVZJJFEKJK-KBPBESRZSA-N 2 1 246.398 3.197 20 0 BGADMP C[C@@H]([NH3+])C[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000420298525 192205533 /nfs/dbraw/zinc/20/55/33/192205533.db2.gz HNNFSVZJJFEKJK-KGLIPLIRSA-N 2 1 246.398 3.197 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C[C@H](C)[NH3+])CC1CCC1 ZINC000420298526 192204194 /nfs/dbraw/zinc/20/41/94/192204194.db2.gz HNNFSVZJJFEKJK-UONOGXRCSA-N 2 1 246.398 3.197 20 0 BGADMP C[C@@H]([NH3+])C[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000420298527 192204709 /nfs/dbraw/zinc/20/47/09/192204709.db2.gz HNNFSVZJJFEKJK-ZIAGYGMSSA-N 2 1 246.398 3.197 20 0 BGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2C[C@H](C)[NH3+])cc1 ZINC000420298791 192205498 /nfs/dbraw/zinc/20/54/98/192205498.db2.gz HUJBNZGMWOBSSS-DZKIICNBSA-N 2 1 246.398 3.115 20 0 BGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@H](C)[NH3+])cc1 ZINC000420298791 192205496 /nfs/dbraw/zinc/20/54/96/192205496.db2.gz HUJBNZGMWOBSSS-DZKIICNBSA-N 2 1 246.398 3.115 20 0 BGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2C[C@@H](C)[NH3+])cc1 ZINC000420298792 192205343 /nfs/dbraw/zinc/20/53/43/192205343.db2.gz HUJBNZGMWOBSSS-FMKPAKJESA-N 2 1 246.398 3.115 20 0 BGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@@H](C)[NH3+])cc1 ZINC000420298792 192205340 /nfs/dbraw/zinc/20/53/40/192205340.db2.gz HUJBNZGMWOBSSS-FMKPAKJESA-N 2 1 246.398 3.115 20 0 BGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2C[C@@H](C)[NH3+])cc1 ZINC000420298793 192205872 /nfs/dbraw/zinc/20/58/72/192205872.db2.gz HUJBNZGMWOBSSS-LZWOXQAQSA-N 2 1 246.398 3.115 20 0 BGADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@@H](C)[NH3+])cc1 ZINC000420298793 192205870 /nfs/dbraw/zinc/20/58/70/192205870.db2.gz HUJBNZGMWOBSSS-LZWOXQAQSA-N 2 1 246.398 3.115 20 0 BGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2C[C@H](C)[NH3+])cc1 ZINC000420298794 192204642 /nfs/dbraw/zinc/20/46/42/192204642.db2.gz HUJBNZGMWOBSSS-YCPHGPKFSA-N 2 1 246.398 3.115 20 0 BGADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@H](C)[NH3+])cc1 ZINC000420298794 192204641 /nfs/dbraw/zinc/20/46/41/192204641.db2.gz HUJBNZGMWOBSSS-YCPHGPKFSA-N 2 1 246.398 3.115 20 0 BGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC1CCC(C)(C)CC1 ZINC000420303526 192206467 /nfs/dbraw/zinc/20/64/67/192206467.db2.gz KNEKLNBAKMCUEI-HNNXBMFYSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC1CCC(C)(C)CC1 ZINC000420303527 192206645 /nfs/dbraw/zinc/20/66/45/192206645.db2.gz KNEKLNBAKMCUEI-OAHLLOKOSA-N 2 1 240.435 3.166 20 0 BGADMP CCCC[N@@H+](C[C@H](C)[NH3+])[C@@H](C)c1ccccc1 ZINC000420305270 192208794 /nfs/dbraw/zinc/20/87/94/192208794.db2.gz PGMHJIGKLSFVEP-KBPBESRZSA-N 2 1 234.387 3.197 20 0 BGADMP CCCC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)c1ccccc1 ZINC000420305272 192208816 /nfs/dbraw/zinc/20/88/16/192208816.db2.gz PGMHJIGKLSFVEP-KGLIPLIRSA-N 2 1 234.387 3.197 20 0 BGADMP CCCC[N@@H+](C[C@H](C)[NH3+])[C@H](C)c1ccccc1 ZINC000420305274 192208377 /nfs/dbraw/zinc/20/83/77/192208377.db2.gz PGMHJIGKLSFVEP-UONOGXRCSA-N 2 1 234.387 3.197 20 0 BGADMP CCCC[N@@H+](C[C@@H](C)[NH3+])[C@H](C)c1ccccc1 ZINC000420305276 192209054 /nfs/dbraw/zinc/20/90/54/192209054.db2.gz PGMHJIGKLSFVEP-ZIAGYGMSSA-N 2 1 234.387 3.197 20 0 BGADMP Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@H](C)[NH3+])c1C ZINC000420305926 192209330 /nfs/dbraw/zinc/20/93/30/192209330.db2.gz QDPUHZYXNSTFQJ-BBRMVZONSA-N 2 1 246.398 3.178 20 0 BGADMP Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H](C)[NH3+])c1C ZINC000420305927 192209814 /nfs/dbraw/zinc/20/98/14/192209814.db2.gz QDPUHZYXNSTFQJ-CJNGLKHVSA-N 2 1 246.398 3.178 20 0 BGADMP Cc1cccc([C@H]2CCCC[N@@H+]2C[C@@H](C)[NH3+])c1C ZINC000420305928 192209662 /nfs/dbraw/zinc/20/96/62/192209662.db2.gz QDPUHZYXNSTFQJ-CZUORRHYSA-N 2 1 246.398 3.178 20 0 BGADMP Cc1cccc([C@H]2CCCC[N@@H+]2C[C@H](C)[NH3+])c1C ZINC000420305929 192209137 /nfs/dbraw/zinc/20/91/37/192209137.db2.gz QDPUHZYXNSTFQJ-XJKSGUPXSA-N 2 1 246.398 3.178 20 0 BGADMP Cc1cccc([C@H]2CCCCC[N@@H+]2C[C@@H](C)[NH3+])c1 ZINC000420310075 192211754 /nfs/dbraw/zinc/21/17/54/192211754.db2.gz UUXBZGXGCXVZFV-GDBMZVCRSA-N 2 1 246.398 3.259 20 0 BGADMP Cc1cccc([C@H]2CCCCC[N@@H+]2C[C@H](C)[NH3+])c1 ZINC000420310077 192210278 /nfs/dbraw/zinc/21/02/78/192210278.db2.gz UUXBZGXGCXVZFV-GOEBONIOSA-N 2 1 246.398 3.259 20 0 BGADMP Cc1cccc([C@@H]2CCCCC[N@@H+]2C[C@H](C)[NH3+])c1 ZINC000420310366 192211241 /nfs/dbraw/zinc/21/12/41/192211241.db2.gz UUXBZGXGCXVZFV-HOCLYGCPSA-N 2 1 246.398 3.259 20 0 BGADMP Cc1cccc([C@@H]2CCCCC[N@@H+]2C[C@@H](C)[NH3+])c1 ZINC000420310369 192210778 /nfs/dbraw/zinc/21/07/78/192210778.db2.gz UUXBZGXGCXVZFV-ZBFHGGJFSA-N 2 1 246.398 3.259 20 0 BGADMP CC(C)c1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000420314711 192213161 /nfs/dbraw/zinc/21/31/61/192213161.db2.gz WCPBTKCFINLWID-CYBMUJFWSA-N 2 1 246.398 3.342 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000420314713 192212017 /nfs/dbraw/zinc/21/20/17/192212017.db2.gz WCPBTKCFINLWID-ZDUSSCGKSA-N 2 1 246.398 3.342 20 0 BGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H](C)[NH3+] ZINC000420328422 192229309 /nfs/dbraw/zinc/22/93/09/192229309.db2.gz ZKCSBBNHUBYLBA-CYBMUJFWSA-N 2 1 242.366 3.009 20 0 BGADMP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](C)[NH3+] ZINC000420328422 192229306 /nfs/dbraw/zinc/22/93/06/192229306.db2.gz ZKCSBBNHUBYLBA-CYBMUJFWSA-N 2 1 242.366 3.009 20 0 BGADMP CC[N@H+](Cc1ccc2ccccc2c1)C[C@H](C)[NH3+] ZINC000420328426 192229807 /nfs/dbraw/zinc/22/98/07/192229807.db2.gz ZKCSBBNHUBYLBA-ZDUSSCGKSA-N 2 1 242.366 3.009 20 0 BGADMP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@H](C)[NH3+] ZINC000420328426 192229804 /nfs/dbraw/zinc/22/98/04/192229804.db2.gz ZKCSBBNHUBYLBA-ZDUSSCGKSA-N 2 1 242.366 3.009 20 0 BGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000420355524 192219104 /nfs/dbraw/zinc/21/91/04/192219104.db2.gz PTONTQXZJJZYME-WWGRRREGSA-N 2 1 246.398 3.293 20 0 BGADMP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000420355524 192219101 /nfs/dbraw/zinc/21/91/01/192219101.db2.gz PTONTQXZJJZYME-WWGRRREGSA-N 2 1 246.398 3.293 20 0 BGADMP CC(C)(C)CCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420364202 192223903 /nfs/dbraw/zinc/22/39/03/192223903.db2.gz JZYKGTFRYUJHPV-AWEZNQCLSA-N 2 1 240.435 3.310 20 0 BGADMP CC(C)(C)CCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420364204 192224231 /nfs/dbraw/zinc/22/42/31/192224231.db2.gz JZYKGTFRYUJHPV-CQSZACIVSA-N 2 1 240.435 3.310 20 0 BGADMP C[C@@H]1CCC[C@@H](CC[NH2+][C@H](C[NH3+])C(C)(C)C)C1 ZINC000420364476 192223586 /nfs/dbraw/zinc/22/35/86/192223586.db2.gz PANNAEHGQNXWQY-HZSPNIEDSA-N 2 1 240.435 3.166 20 0 BGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@@H](C[NH3+])C(C)(C)C)C1 ZINC000420364478 192224134 /nfs/dbraw/zinc/22/41/34/192224134.db2.gz PANNAEHGQNXWQY-MCIONIFRSA-N 2 1 240.435 3.166 20 0 BGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@H](C[NH3+])C(C)(C)C)C1 ZINC000420364480 192223763 /nfs/dbraw/zinc/22/37/63/192223763.db2.gz PANNAEHGQNXWQY-MGPQQGTHSA-N 2 1 240.435 3.166 20 0 BGADMP C[C@@H]1CCC[C@@H](CC[NH2+][C@@H](C[NH3+])C(C)(C)C)C1 ZINC000420364481 192224721 /nfs/dbraw/zinc/22/47/21/192224721.db2.gz PANNAEHGQNXWQY-RDBSUJKOSA-N 2 1 240.435 3.166 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000420366333 192224035 /nfs/dbraw/zinc/22/40/35/192224035.db2.gz UBTRSBLKVYGGAT-INIZCTEOSA-N 2 1 246.398 3.050 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000420366335 192224358 /nfs/dbraw/zinc/22/43/58/192224358.db2.gz UBTRSBLKVYGGAT-MRXNPFEDSA-N 2 1 246.398 3.050 20 0 BGADMP CC[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccccc1 ZINC000420370110 192227306 /nfs/dbraw/zinc/22/73/06/192227306.db2.gz OQNFGPZCNLBDLI-BFJAYTPKSA-N 2 1 246.398 3.114 20 0 BGADMP CC[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccccc1 ZINC000420370112 192227660 /nfs/dbraw/zinc/22/76/60/192227660.db2.gz OQNFGPZCNLBDLI-DARAHFNDSA-N 2 1 246.398 3.114 20 0 BGADMP CC[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000420370115 192228273 /nfs/dbraw/zinc/22/82/73/192228273.db2.gz OQNFGPZCNLBDLI-LQKXBSAESA-N 2 1 246.398 3.114 20 0 BGADMP CC[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccccc1 ZINC000420370118 192227432 /nfs/dbraw/zinc/22/74/32/192227432.db2.gz OQNFGPZCNLBDLI-LUYZLQTOSA-N 2 1 246.398 3.114 20 0 BGADMP CCC(C)(C)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420374763 192231062 /nfs/dbraw/zinc/23/10/62/192231062.db2.gz SJCXADQTQBOQPY-AWEZNQCLSA-N 2 1 240.435 3.310 20 0 BGADMP CCC(C)(C)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420374764 192232450 /nfs/dbraw/zinc/23/24/50/192232450.db2.gz SJCXADQTQBOQPY-CQSZACIVSA-N 2 1 240.435 3.310 20 0 BGADMP [NH3+]C[C@H]([NH2+]CCC1CCCC1)C1CCCCC1 ZINC000420381861 192234734 /nfs/dbraw/zinc/23/47/34/192234734.db2.gz ZLOOPIRBEQCOKE-HNNXBMFYSA-N 2 1 238.419 3.064 20 0 BGADMP [NH3+]C[C@@H]([NH2+]CCC1CCCC1)C1CCCCC1 ZINC000420381863 192235259 /nfs/dbraw/zinc/23/52/59/192235259.db2.gz ZLOOPIRBEQCOKE-OAHLLOKOSA-N 2 1 238.419 3.064 20 0 BGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(C2CC2)c1 ZINC000422551175 387599526 /nfs/dbraw/zinc/59/95/26/387599526.db2.gz CYKZDOJVZKIHKG-HNNXBMFYSA-N 2 1 246.398 3.027 20 0 BGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(C2CC2)c1 ZINC000422551176 387599380 /nfs/dbraw/zinc/59/93/80/387599380.db2.gz CYKZDOJVZKIHKG-OAHLLOKOSA-N 2 1 246.398 3.027 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(C2CC2)c1 ZINC000422551409 387598881 /nfs/dbraw/zinc/59/88/81/387598881.db2.gz DUUJMCPFRKJZRV-INIZCTEOSA-N 2 1 246.398 3.171 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(C2CC2)c1 ZINC000422551410 387599012 /nfs/dbraw/zinc/59/90/12/387599012.db2.gz DUUJMCPFRKJZRV-MRXNPFEDSA-N 2 1 246.398 3.171 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(C2CC2)c1 ZINC000422554145 387598132 /nfs/dbraw/zinc/59/81/32/387598132.db2.gz LSLJNDOBMMWIAO-INIZCTEOSA-N 2 1 246.398 3.027 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(C2CC2)c1 ZINC000422554146 387599304 /nfs/dbraw/zinc/59/93/04/387599304.db2.gz LSLJNDOBMMWIAO-MRXNPFEDSA-N 2 1 246.398 3.027 20 0 BGADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422555102 387599460 /nfs/dbraw/zinc/59/94/60/387599460.db2.gz OHPAERNGNKOHMI-UHFFFAOYSA-N 2 1 246.398 3.171 20 0 BGADMP C[C@@H]([NH2+]CCCCC(C)(C)C)c1c[nH+]ccc1N ZINC000422718156 387630944 /nfs/dbraw/zinc/63/09/44/387630944.db2.gz PFKAPFZXBUKYSL-GFCCVEGCSA-N 2 1 249.402 3.361 20 0 BGADMP C[C@H]([NH2+]CCCCC(C)(C)C)c1c[nH+]ccc1N ZINC000422718157 387631623 /nfs/dbraw/zinc/63/16/23/387631623.db2.gz PFKAPFZXBUKYSL-LBPRGKRZSA-N 2 1 249.402 3.361 20 0 BGADMP CCCC[C@@H](CC)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422743029 192469704 /nfs/dbraw/zinc/46/97/04/192469704.db2.gz HUOHXFPLISWKLH-CHWSQXEVSA-N 2 1 249.402 3.361 20 0 BGADMP CCCC[C@H](CC)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422743073 387689685 /nfs/dbraw/zinc/68/96/85/387689685.db2.gz HUOHXFPLISWKLH-OLZOCXBDSA-N 2 1 249.402 3.361 20 0 BGADMP CCCC[C@@H](CC)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422743074 387689783 /nfs/dbraw/zinc/68/97/83/387689783.db2.gz HUOHXFPLISWKLH-QWHCGFSZSA-N 2 1 249.402 3.361 20 0 BGADMP CCCC[C@H](CC)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422743075 387690221 /nfs/dbraw/zinc/69/02/21/387690221.db2.gz HUOHXFPLISWKLH-STQMWFEESA-N 2 1 249.402 3.361 20 0 BGADMP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000422750310 387655727 /nfs/dbraw/zinc/65/57/27/387655727.db2.gz ANFJQZYRQUVQLD-BMFZPTHFSA-N 2 1 246.398 3.176 20 0 BGADMP CC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000422750311 387656773 /nfs/dbraw/zinc/65/67/73/387656773.db2.gz ANFJQZYRQUVQLD-FVQBIDKESA-N 2 1 246.398 3.176 20 0 BGADMP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000422750312 387655759 /nfs/dbraw/zinc/65/57/59/387655759.db2.gz ANFJQZYRQUVQLD-IMJJTQAJSA-N 2 1 246.398 3.176 20 0 BGADMP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000422750313 387656144 /nfs/dbraw/zinc/65/61/44/387656144.db2.gz ANFJQZYRQUVQLD-NUEKZKHPSA-N 2 1 246.398 3.176 20 0 BGADMP CCC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422751840 387655234 /nfs/dbraw/zinc/65/52/34/387655234.db2.gz AHPICCURROYAFT-CWRNSKLLSA-N 2 1 246.398 3.258 20 0 BGADMP CCC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422751842 387654997 /nfs/dbraw/zinc/65/49/97/387654997.db2.gz AHPICCURROYAFT-FVQBIDKESA-N 2 1 246.398 3.258 20 0 BGADMP CCC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422751844 387656603 /nfs/dbraw/zinc/65/66/03/387656603.db2.gz AHPICCURROYAFT-NUEKZKHPSA-N 2 1 246.398 3.258 20 0 BGADMP CCC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422751846 387656488 /nfs/dbraw/zinc/65/64/88/387656488.db2.gz AHPICCURROYAFT-VNQPRFMTSA-N 2 1 246.398 3.258 20 0 BGADMP C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1c[nH+]ccc1N ZINC000422784790 387684501 /nfs/dbraw/zinc/68/45/01/387684501.db2.gz OQGBVGJOHWPTTC-LLVKDONJSA-N 2 1 247.386 3.114 20 0 BGADMP C[C@H]([NH2+]C1CCC(C)(C)CC1)c1c[nH+]ccc1N ZINC000422784791 387684608 /nfs/dbraw/zinc/68/46/08/387684608.db2.gz OQGBVGJOHWPTTC-NSHDSACASA-N 2 1 247.386 3.114 20 0 BGADMP CC(C)[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422787378 387687196 /nfs/dbraw/zinc/68/71/96/387687196.db2.gz QCCINMWKUSBSOP-CWRNSKLLSA-N 2 1 246.398 3.114 20 0 BGADMP CC(C)[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422787379 387685551 /nfs/dbraw/zinc/68/55/51/387685551.db2.gz QCCINMWKUSBSOP-FVQBIDKESA-N 2 1 246.398 3.114 20 0 BGADMP CC(C)[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422787380 387687140 /nfs/dbraw/zinc/68/71/40/387687140.db2.gz QCCINMWKUSBSOP-NUEKZKHPSA-N 2 1 246.398 3.114 20 0 BGADMP CC(C)[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422787381 387686184 /nfs/dbraw/zinc/68/61/84/387686184.db2.gz QCCINMWKUSBSOP-VNQPRFMTSA-N 2 1 246.398 3.114 20 0 BGADMP C[C@@H]([NH2+]CCC1CCCCC1)c1c[nH+]ccc1N ZINC000422801171 387700950 /nfs/dbraw/zinc/70/09/50/387700950.db2.gz BIGCHUXJKDEDKU-GFCCVEGCSA-N 2 1 247.386 3.115 20 0 BGADMP C[C@H]([NH2+]CCC1CCCCC1)c1c[nH+]ccc1N ZINC000422801177 387702178 /nfs/dbraw/zinc/70/21/78/387702178.db2.gz BIGCHUXJKDEDKU-LBPRGKRZSA-N 2 1 247.386 3.115 20 0 BGADMP C[C@@H]([NH2+]CCCC1CCCC1)c1c[nH+]ccc1N ZINC000422804474 387701647 /nfs/dbraw/zinc/70/16/47/387701647.db2.gz KVMKVIBQOVYRCD-GFCCVEGCSA-N 2 1 247.386 3.115 20 0 BGADMP C[C@H]([NH2+]CCCC1CCCC1)c1c[nH+]ccc1N ZINC000422804475 387701235 /nfs/dbraw/zinc/70/12/35/387701235.db2.gz KVMKVIBQOVYRCD-LBPRGKRZSA-N 2 1 247.386 3.115 20 0 BGADMP CCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCCC1 ZINC000422891767 387764170 /nfs/dbraw/zinc/76/41/70/387764170.db2.gz WNAUMKCHVXUHTO-GFCCVEGCSA-N 2 1 247.386 3.115 20 0 BGADMP CCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCCC1 ZINC000422891768 387764417 /nfs/dbraw/zinc/76/44/17/387764417.db2.gz WNAUMKCHVXUHTO-LBPRGKRZSA-N 2 1 247.386 3.115 20 0 BGADMP CC(C)CC(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422923030 387777375 /nfs/dbraw/zinc/77/73/75/387777375.db2.gz UYPSVYAOGQAPJO-GFCCVEGCSA-N 2 1 249.402 3.217 20 0 BGADMP CC(C)CC(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422923031 387777720 /nfs/dbraw/zinc/77/77/20/387777720.db2.gz UYPSVYAOGQAPJO-LBPRGKRZSA-N 2 1 249.402 3.217 20 0 BGADMP CCC(CC)(CC)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422927765 387780411 /nfs/dbraw/zinc/78/04/11/387780411.db2.gz HADYNTOJWDFBPV-GFCCVEGCSA-N 2 1 249.402 3.361 20 0 BGADMP CCC(CC)(CC)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422927766 387779203 /nfs/dbraw/zinc/77/92/03/387779203.db2.gz HADYNTOJWDFBPV-LBPRGKRZSA-N 2 1 249.402 3.361 20 0 BGADMP C[C@@H]([NH2+]CC1(C)CCCCC1)c1c[nH+]ccc1N ZINC000422927893 387780397 /nfs/dbraw/zinc/78/03/97/387780397.db2.gz HPMCOFGEOGTCLT-GFCCVEGCSA-N 2 1 247.386 3.115 20 0 BGADMP C[C@H]([NH2+]CC1(C)CCCCC1)c1c[nH+]ccc1N ZINC000422927894 387780320 /nfs/dbraw/zinc/78/03/20/387780320.db2.gz HPMCOFGEOGTCLT-LBPRGKRZSA-N 2 1 247.386 3.115 20 0 BGADMP CCCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCC1 ZINC000422929131 192510391 /nfs/dbraw/zinc/51/03/91/192510391.db2.gz OILDYHTVWOUZTD-GFCCVEGCSA-N 2 1 247.386 3.115 20 0 BGADMP CCCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCC1 ZINC000422929132 387782154 /nfs/dbraw/zinc/78/21/54/387782154.db2.gz OILDYHTVWOUZTD-LBPRGKRZSA-N 2 1 247.386 3.115 20 0 BGADMP C[C@@H]([NH2+]CCC1=CCCCC1)c1c[nH+]ccc1N ZINC000422963802 387813618 /nfs/dbraw/zinc/81/36/18/387813618.db2.gz JOYHXFALYGLEGE-GFCCVEGCSA-N 2 1 245.370 3.035 20 0 BGADMP C[C@H]([NH2+]CCC1=CCCCC1)c1c[nH+]ccc1N ZINC000422963803 387813141 /nfs/dbraw/zinc/81/31/41/387813141.db2.gz JOYHXFALYGLEGE-LBPRGKRZSA-N 2 1 245.370 3.035 20 0 BGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423039265 387853070 /nfs/dbraw/zinc/85/30/70/387853070.db2.gz QAFJLTSSZBTLAK-ILXRZTDVSA-N 2 1 246.398 3.095 20 0 BGADMP Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423039266 192547365 /nfs/dbraw/zinc/54/73/65/192547365.db2.gz QAFJLTSSZBTLAK-KFWWJZLASA-N 2 1 246.398 3.095 20 0 BGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423039267 387852655 /nfs/dbraw/zinc/85/26/55/387852655.db2.gz QAFJLTSSZBTLAK-KKUMJFAQSA-N 2 1 246.398 3.095 20 0 BGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423039268 387853126 /nfs/dbraw/zinc/85/31/26/387853126.db2.gz QAFJLTSSZBTLAK-QLFBSQMISA-N 2 1 246.398 3.095 20 0 BGADMP Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423039269 387853590 /nfs/dbraw/zinc/85/35/90/387853590.db2.gz QAFJLTSSZBTLAK-RBSFLKMASA-N 2 1 246.398 3.095 20 0 BGADMP Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423039270 387852917 /nfs/dbraw/zinc/85/29/17/387852917.db2.gz QAFJLTSSZBTLAK-RRFJBIMHSA-N 2 1 246.398 3.095 20 0 BGADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423039271 387853687 /nfs/dbraw/zinc/85/36/87/387853687.db2.gz QAFJLTSSZBTLAK-SOUVJXGZSA-N 2 1 246.398 3.095 20 0 BGADMP Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423039272 192547491 /nfs/dbraw/zinc/54/74/91/192547491.db2.gz QAFJLTSSZBTLAK-ZNMIVQPWSA-N 2 1 246.398 3.095 20 0 BGADMP CC(C)C(C[NH2+][C@H](C)c1c[nH+]ccc1N)C(C)C ZINC000423067504 387870099 /nfs/dbraw/zinc/87/00/99/387870099.db2.gz HIXIMWMEIOPJST-GFCCVEGCSA-N 2 1 249.402 3.073 20 0 BGADMP CC(C)C(C[NH2+][C@@H](C)c1c[nH+]ccc1N)C(C)C ZINC000423067505 387870049 /nfs/dbraw/zinc/87/00/49/387870049.db2.gz HIXIMWMEIOPJST-LBPRGKRZSA-N 2 1 249.402 3.073 20 0 BGADMP CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000423135463 387914462 /nfs/dbraw/zinc/91/44/62/387914462.db2.gz UBECWALIVOJBSB-AVGNSLFASA-N 2 1 247.386 3.114 20 0 BGADMP CC[C@H]1CC[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000423135464 387914827 /nfs/dbraw/zinc/91/48/27/387914827.db2.gz UBECWALIVOJBSB-JHJVBQTASA-N 2 1 247.386 3.114 20 0 BGADMP C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)c1c[nH+]ccc1N ZINC000423136971 192581194 /nfs/dbraw/zinc/58/11/94/192581194.db2.gz VOLHBBNFWCXUIL-LLVKDONJSA-N 2 1 249.402 3.217 20 0 BGADMP C[C@H]([NH2+]CC(C)(C)C(C)(C)C)c1c[nH+]ccc1N ZINC000423136972 387914927 /nfs/dbraw/zinc/91/49/27/387914927.db2.gz VOLHBBNFWCXUIL-NSHDSACASA-N 2 1 249.402 3.217 20 0 BGADMP C[C@@H]([NH2+]CC1CCCCCC1)c1c[nH+]ccc1N ZINC000423148483 387924164 /nfs/dbraw/zinc/92/41/64/387924164.db2.gz GDBOHNPCVWMTCM-GFCCVEGCSA-N 2 1 247.386 3.115 20 0 BGADMP C[C@H]([NH2+]CC1CCCCCC1)c1c[nH+]ccc1N ZINC000423148484 387925513 /nfs/dbraw/zinc/92/55/13/387925513.db2.gz GDBOHNPCVWMTCM-LBPRGKRZSA-N 2 1 247.386 3.115 20 0 BGADMP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2)s1 ZINC000423175412 387961321 /nfs/dbraw/zinc/96/13/21/387961321.db2.gz AGHHLVRGOHVFMD-LLVKDONJSA-N 2 1 246.379 3.024 20 0 BGADMP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2)s1 ZINC000423175413 387961360 /nfs/dbraw/zinc/96/13/60/387961360.db2.gz AGHHLVRGOHVFMD-NSHDSACASA-N 2 1 246.379 3.024 20 0 BGADMP Cc1ccc([C@@H]([NH2+]CC[NH3+])C2CCCCC2)cc1 ZINC000423180695 387966836 /nfs/dbraw/zinc/96/68/36/387966836.db2.gz IMFTZGOZQUAOCI-INIZCTEOSA-N 2 1 246.398 3.165 20 0 BGADMP Cc1ccc([C@H]([NH2+]CC[NH3+])C2CCCCC2)cc1 ZINC000423180696 387965882 /nfs/dbraw/zinc/96/58/82/387965882.db2.gz IMFTZGOZQUAOCI-MRXNPFEDSA-N 2 1 246.398 3.165 20 0 BGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccs1 ZINC000423182092 387968332 /nfs/dbraw/zinc/96/83/32/387968332.db2.gz PSZCSYIFMGWIQY-LLVKDONJSA-N 2 1 238.400 3.060 20 0 BGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccs1 ZINC000423182095 387967136 /nfs/dbraw/zinc/96/71/36/387967136.db2.gz PSZCSYIFMGWIQY-NSHDSACASA-N 2 1 238.400 3.060 20 0 BGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccsc1 ZINC000423182119 387967807 /nfs/dbraw/zinc/96/78/07/387967807.db2.gz PVPCMFPYPCDLEY-LLVKDONJSA-N 2 1 238.400 3.060 20 0 BGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccsc1 ZINC000423182121 387968060 /nfs/dbraw/zinc/96/80/60/387968060.db2.gz PVPCMFPYPCDLEY-NSHDSACASA-N 2 1 238.400 3.060 20 0 BGADMP C[C@@H]([NH2+]CC[NH3+])c1ccc(C2CCCCC2)cc1 ZINC000423190502 387975275 /nfs/dbraw/zinc/97/52/75/387975275.db2.gz RWOUYKSDNQFDNQ-CYBMUJFWSA-N 2 1 246.398 3.344 20 0 BGADMP C[C@H]([NH2+]CC[NH3+])c1ccc(C2CCCCC2)cc1 ZINC000423190503 387976686 /nfs/dbraw/zinc/97/66/86/387976686.db2.gz RWOUYKSDNQFDNQ-ZDUSSCGKSA-N 2 1 246.398 3.344 20 0 BGADMP CC(C)CCC[C@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000423194715 387980018 /nfs/dbraw/zinc/98/00/18/387980018.db2.gz YHVWEGQXKMXJLM-HNNXBMFYSA-N 2 1 234.387 3.102 20 0 BGADMP CC(C)CCC[C@@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000423194716 387979420 /nfs/dbraw/zinc/97/94/20/387979420.db2.gz YHVWEGQXKMXJLM-OAHLLOKOSA-N 2 1 234.387 3.102 20 0 BGADMP C[NH2+]CCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000423198126 387984849 /nfs/dbraw/zinc/98/48/49/387984849.db2.gz DHZPPIWITRADKY-GFCCVEGCSA-N 2 1 246.354 3.001 20 0 BGADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000423198127 387984818 /nfs/dbraw/zinc/98/48/18/387984818.db2.gz DHZPPIWITRADKY-LBPRGKRZSA-N 2 1 246.354 3.001 20 0 BGADMP C[NH2+]CCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000423198137 387983941 /nfs/dbraw/zinc/98/39/41/387983941.db2.gz DJFAZLBBQXACOR-GFCCVEGCSA-N 2 1 246.354 3.001 20 0 BGADMP C[NH2+]CCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000423198138 387984358 /nfs/dbraw/zinc/98/43/58/387984358.db2.gz DJFAZLBBQXACOR-LBPRGKRZSA-N 2 1 246.354 3.001 20 0 BGADMP CC[NH2+]CC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423246221 388030320 /nfs/dbraw/zinc/03/03/20/388030320.db2.gz NATIPHQGTMKWBZ-UHFFFAOYSA-N 2 1 238.419 3.079 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423258321 388039320 /nfs/dbraw/zinc/03/93/20/388039320.db2.gz BHTIFFSEFJXGSN-BFHYXJOUSA-N 2 1 228.424 3.164 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423258322 388038748 /nfs/dbraw/zinc/03/87/48/388038748.db2.gz BHTIFFSEFJXGSN-IHRRRGAJSA-N 2 1 228.424 3.164 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423258323 388038572 /nfs/dbraw/zinc/03/85/72/388038572.db2.gz BHTIFFSEFJXGSN-MELADBBJSA-N 2 1 228.424 3.164 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423258324 388038559 /nfs/dbraw/zinc/03/85/59/388038559.db2.gz BHTIFFSEFJXGSN-MJBXVCDLSA-N 2 1 228.424 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000423258789 388038148 /nfs/dbraw/zinc/03/81/48/388038148.db2.gz CKHRMDMUCLWDLQ-QLFBSQMISA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000423258790 388038912 /nfs/dbraw/zinc/03/89/12/388038912.db2.gz CKHRMDMUCLWDLQ-RBSFLKMASA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000423258791 388039222 /nfs/dbraw/zinc/03/92/22/388039222.db2.gz CKHRMDMUCLWDLQ-RRFJBIMHSA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000423258792 388038060 /nfs/dbraw/zinc/03/80/60/388038060.db2.gz CKHRMDMUCLWDLQ-SOUVJXGZSA-N 2 1 240.435 3.164 20 0 BGADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000423259732 388038541 /nfs/dbraw/zinc/03/85/41/388038541.db2.gz FSCUOCWDHCXHEB-CABCVRRESA-N 2 1 234.387 3.101 20 0 BGADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000423259733 388038330 /nfs/dbraw/zinc/03/83/30/388038330.db2.gz FSCUOCWDHCXHEB-GJZGRUSLSA-N 2 1 234.387 3.101 20 0 BGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000423259734 388039425 /nfs/dbraw/zinc/03/94/25/388039425.db2.gz FSCUOCWDHCXHEB-HUUCEWRRSA-N 2 1 234.387 3.101 20 0 BGADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccccc1 ZINC000423259735 388038089 /nfs/dbraw/zinc/03/80/89/388038089.db2.gz FSCUOCWDHCXHEB-LSDHHAIUSA-N 2 1 234.387 3.101 20 0 BGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCCC1 ZINC000423259944 388039086 /nfs/dbraw/zinc/03/90/86/388039086.db2.gz GFKUKYSJPATSRF-DOMZBBRYSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CCCC1 ZINC000423259945 388038391 /nfs/dbraw/zinc/03/83/91/388038391.db2.gz GFKUKYSJPATSRF-IUODEOHRSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CCCC1 ZINC000423259946 388039201 /nfs/dbraw/zinc/03/92/01/388039201.db2.gz GFKUKYSJPATSRF-SWLSCSKDSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCCC1 ZINC000423259947 388037928 /nfs/dbraw/zinc/03/79/28/388037928.db2.gz GFKUKYSJPATSRF-WFASDCNBSA-N 2 1 238.419 3.062 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000423260033 388038762 /nfs/dbraw/zinc/03/87/62/388038762.db2.gz GOQAOPFVWWQFIP-NEPJUHHUSA-N 2 1 240.416 3.081 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000423260034 388039132 /nfs/dbraw/zinc/03/91/32/388039132.db2.gz GOQAOPFVWWQFIP-NWDGAFQWSA-N 2 1 240.416 3.081 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000423260035 388038260 /nfs/dbraw/zinc/03/82/60/388038260.db2.gz GOQAOPFVWWQFIP-RYUDHWBXSA-N 2 1 240.416 3.081 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000423260036 388038249 /nfs/dbraw/zinc/03/82/49/388038249.db2.gz GOQAOPFVWWQFIP-VXGBXAGGSA-N 2 1 240.416 3.081 20 0 BGADMP Cc1ccccc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423260387 388039175 /nfs/dbraw/zinc/03/91/75/388039175.db2.gz HGZSNDVIXAATRN-KBPBESRZSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423260388 388037996 /nfs/dbraw/zinc/03/79/96/388037996.db2.gz HGZSNDVIXAATRN-KGLIPLIRSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423260389 192655853 /nfs/dbraw/zinc/65/58/53/192655853.db2.gz HGZSNDVIXAATRN-UONOGXRCSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423260390 388038856 /nfs/dbraw/zinc/03/88/56/388038856.db2.gz HGZSNDVIXAATRN-ZIAGYGMSSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1cccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1C ZINC000423260448 388038516 /nfs/dbraw/zinc/03/85/16/388038516.db2.gz HMIWMBWTKBVHHD-CABCVRRESA-N 2 1 248.414 3.327 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1C ZINC000423260449 388038267 /nfs/dbraw/zinc/03/82/67/388038267.db2.gz HMIWMBWTKBVHHD-GJZGRUSLSA-N 2 1 248.414 3.327 20 0 BGADMP Cc1cccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1C ZINC000423260450 388038072 /nfs/dbraw/zinc/03/80/72/388038072.db2.gz HMIWMBWTKBVHHD-HUUCEWRRSA-N 2 1 248.414 3.327 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1C ZINC000423260451 388038426 /nfs/dbraw/zinc/03/84/26/388038426.db2.gz HMIWMBWTKBVHHD-LSDHHAIUSA-N 2 1 248.414 3.327 20 0 BGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000423260578 388039100 /nfs/dbraw/zinc/03/91/00/388039100.db2.gz HOAITKYOXXEKNU-BDAKNGLRSA-N 2 1 246.807 3.035 20 0 BGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000423260579 388039246 /nfs/dbraw/zinc/03/92/46/388039246.db2.gz HOAITKYOXXEKNU-DTWKUNHWSA-N 2 1 246.807 3.035 20 0 BGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000423260580 388039019 /nfs/dbraw/zinc/03/90/19/388039019.db2.gz HOAITKYOXXEKNU-IUCAKERBSA-N 2 1 246.807 3.035 20 0 BGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000423260581 388037932 /nfs/dbraw/zinc/03/79/32/388037932.db2.gz HOAITKYOXXEKNU-RKDXNWHRSA-N 2 1 246.807 3.035 20 0 BGADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1CCCCC1 ZINC000423261552 388040300 /nfs/dbraw/zinc/04/03/00/388040300.db2.gz KEELNRVEZRRDCO-CABCVRRESA-N 2 1 240.435 3.308 20 0 BGADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C1CCCCC1 ZINC000423261557 388040710 /nfs/dbraw/zinc/04/07/10/388040710.db2.gz KEELNRVEZRRDCO-GJZGRUSLSA-N 2 1 240.435 3.308 20 0 BGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1CCCCC1 ZINC000423261559 388040638 /nfs/dbraw/zinc/04/06/38/388040638.db2.gz KEELNRVEZRRDCO-HUUCEWRRSA-N 2 1 240.435 3.308 20 0 BGADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)C1CCCCC1 ZINC000423261561 388040493 /nfs/dbraw/zinc/04/04/93/388040493.db2.gz KEELNRVEZRRDCO-LSDHHAIUSA-N 2 1 240.435 3.308 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000423261719 388040647 /nfs/dbraw/zinc/04/06/47/388040647.db2.gz KPTRWMSIKLWJRG-DZGCQCFKSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1cccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000423261720 388040101 /nfs/dbraw/zinc/04/01/01/388040101.db2.gz KPTRWMSIKLWJRG-HIFRSBDPSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1cccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000423261721 388040783 /nfs/dbraw/zinc/04/07/83/388040783.db2.gz KPTRWMSIKLWJRG-UKRRQHHQSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000423261722 388039989 /nfs/dbraw/zinc/03/99/89/388039989.db2.gz KPTRWMSIKLWJRG-ZFWWWQNUSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1ccsc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423262566 388040063 /nfs/dbraw/zinc/04/00/63/388040063.db2.gz MSIVOQAEZWOICG-NEPJUHHUSA-N 2 1 240.416 3.081 20 0 BGADMP Cc1ccsc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423262567 388039945 /nfs/dbraw/zinc/03/99/45/388039945.db2.gz MSIVOQAEZWOICG-NWDGAFQWSA-N 2 1 240.416 3.081 20 0 BGADMP Cc1ccsc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423262568 388040481 /nfs/dbraw/zinc/04/04/81/388040481.db2.gz MSIVOQAEZWOICG-RYUDHWBXSA-N 2 1 240.416 3.081 20 0 BGADMP Cc1ccsc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423262569 192658358 /nfs/dbraw/zinc/65/83/58/192658358.db2.gz MSIVOQAEZWOICG-VXGBXAGGSA-N 2 1 240.416 3.081 20 0 BGADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccs1 ZINC000423262620 388041099 /nfs/dbraw/zinc/04/10/99/388041099.db2.gz MWZPNISTFDVDPI-NEPJUHHUSA-N 2 1 240.416 3.162 20 0 BGADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccs1 ZINC000423262621 388040267 /nfs/dbraw/zinc/04/02/67/388040267.db2.gz MWZPNISTFDVDPI-NWDGAFQWSA-N 2 1 240.416 3.162 20 0 BGADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccs1 ZINC000423262622 388039961 /nfs/dbraw/zinc/03/99/61/388039961.db2.gz MWZPNISTFDVDPI-RYUDHWBXSA-N 2 1 240.416 3.162 20 0 BGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccs1 ZINC000423262623 388040211 /nfs/dbraw/zinc/04/02/11/388040211.db2.gz MWZPNISTFDVDPI-VXGBXAGGSA-N 2 1 240.416 3.162 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423263226 388041956 /nfs/dbraw/zinc/04/19/56/388041956.db2.gz OGNBMOWNIFEYRD-GXTWGEPZSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423263227 388042643 /nfs/dbraw/zinc/04/26/43/388042643.db2.gz OGNBMOWNIFEYRD-JSGCOSHPSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423263228 388042398 /nfs/dbraw/zinc/04/23/98/388042398.db2.gz OGNBMOWNIFEYRD-OCCSQVGLSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423263229 388042837 /nfs/dbraw/zinc/04/28/37/388042837.db2.gz OGNBMOWNIFEYRD-TZMCWYRMSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000423263749 388041618 /nfs/dbraw/zinc/04/16/18/388041618.db2.gz OVBSXXDTUODLHN-GBJTYRQASA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000423263750 388041783 /nfs/dbraw/zinc/04/17/83/388041783.db2.gz OVBSXXDTUODLHN-KBUPBQIOSA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000423263752 388041648 /nfs/dbraw/zinc/04/16/48/388041648.db2.gz OVBSXXDTUODLHN-TUVASFSCSA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000423263754 388042078 /nfs/dbraw/zinc/04/20/78/388042078.db2.gz OVBSXXDTUODLHN-YJNKXOJESA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1CC1 ZINC000423263985 388042525 /nfs/dbraw/zinc/04/25/25/388042525.db2.gz PHILGXJATQBIFT-CABCVRRESA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C1CC1 ZINC000423263986 388041914 /nfs/dbraw/zinc/04/19/14/388041914.db2.gz PHILGXJATQBIFT-GJZGRUSLSA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1CC1 ZINC000423263987 388041808 /nfs/dbraw/zinc/04/18/08/388041808.db2.gz PHILGXJATQBIFT-HUUCEWRRSA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)C1CC1 ZINC000423263988 388041626 /nfs/dbraw/zinc/04/16/26/388041626.db2.gz PHILGXJATQBIFT-LSDHHAIUSA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000423264175 388042555 /nfs/dbraw/zinc/04/25/55/388042555.db2.gz BQHVLLXSAHNTBL-BLLLJJGKSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000423264176 388041409 /nfs/dbraw/zinc/04/14/09/388041409.db2.gz BQHVLLXSAHNTBL-LRDDRELGSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000423264177 388042196 /nfs/dbraw/zinc/04/21/96/388042196.db2.gz BQHVLLXSAHNTBL-MLGOLLRUSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000423264178 388042010 /nfs/dbraw/zinc/04/20/10/388042010.db2.gz BQHVLLXSAHNTBL-WBMJQRKESA-N 2 1 246.398 3.198 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423264742 388042423 /nfs/dbraw/zinc/04/24/23/388042423.db2.gz QHVQJNTZIZEAEU-DZGCQCFKSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423264743 388041980 /nfs/dbraw/zinc/04/19/80/388041980.db2.gz QHVQJNTZIZEAEU-HIFRSBDPSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423264744 388042860 /nfs/dbraw/zinc/04/28/60/388042860.db2.gz QHVQJNTZIZEAEU-UKRRQHHQSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423264745 388042229 /nfs/dbraw/zinc/04/22/29/388042229.db2.gz QHVQJNTZIZEAEU-ZFWWWQNUSA-N 2 1 234.387 3.019 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000423266395 388043679 /nfs/dbraw/zinc/04/36/79/388043679.db2.gz RVYPOWFMASLTQM-IOASZLSFSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000423266396 388044056 /nfs/dbraw/zinc/04/40/56/388044056.db2.gz RVYPOWFMASLTQM-WOSRLPQWSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000423266397 388044670 /nfs/dbraw/zinc/04/46/70/388044670.db2.gz RVYPOWFMASLTQM-XJKCOSOUSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000423266398 388045520 /nfs/dbraw/zinc/04/55/20/388045520.db2.gz RVYPOWFMASLTQM-ZENOOKHLSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCC(C)(C)C ZINC000423267103 388046432 /nfs/dbraw/zinc/04/64/32/388046432.db2.gz SQDDYEDFXRCVHD-CHWSQXEVSA-N 2 1 228.424 3.164 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCC(C)(C)C ZINC000423267104 388045494 /nfs/dbraw/zinc/04/54/94/388045494.db2.gz SQDDYEDFXRCVHD-OLZOCXBDSA-N 2 1 228.424 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCC(C)(C)C ZINC000423267105 388045966 /nfs/dbraw/zinc/04/59/66/388045966.db2.gz SQDDYEDFXRCVHD-QWHCGFSZSA-N 2 1 228.424 3.164 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCC(C)(C)C ZINC000423267106 388045573 /nfs/dbraw/zinc/04/55/73/388045573.db2.gz SQDDYEDFXRCVHD-STQMWFEESA-N 2 1 228.424 3.164 20 0 BGADMP C[C@@H]1CCCC[C@H]1[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423267551 388045257 /nfs/dbraw/zinc/04/52/57/388045257.db2.gz TYNZDZYXBFWOCV-BPLDGKMQSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423267552 388045811 /nfs/dbraw/zinc/04/58/11/388045811.db2.gz TYNZDZYXBFWOCV-SNPRPXQTSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423267553 388046340 /nfs/dbraw/zinc/04/63/40/388046340.db2.gz TYNZDZYXBFWOCV-VHDGCEQUSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423267554 388045745 /nfs/dbraw/zinc/04/57/45/388045745.db2.gz TYNZDZYXBFWOCV-YUELXQCFSA-N 2 1 238.419 3.062 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423267940 388048305 /nfs/dbraw/zinc/04/83/05/388048305.db2.gz UFVJJDLLCSSWQM-BFHYXJOUSA-N 2 1 228.424 3.164 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423267941 388047780 /nfs/dbraw/zinc/04/77/80/388047780.db2.gz UFVJJDLLCSSWQM-IHRRRGAJSA-N 2 1 228.424 3.164 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423267942 388048152 /nfs/dbraw/zinc/04/81/52/388048152.db2.gz UFVJJDLLCSSWQM-MELADBBJSA-N 2 1 228.424 3.164 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423267943 388048065 /nfs/dbraw/zinc/04/80/65/388048065.db2.gz UFVJJDLLCSSWQM-MJBXVCDLSA-N 2 1 228.424 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)C1CCCCCC1 ZINC000423268197 388047097 /nfs/dbraw/zinc/04/70/97/388047097.db2.gz UKCFSJCCHCBHSX-DZGCQCFKSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)C1CCCCCC1 ZINC000423268198 388048141 /nfs/dbraw/zinc/04/81/41/388048141.db2.gz UKCFSJCCHCBHSX-HIFRSBDPSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)C1CCCCCC1 ZINC000423268199 388046950 /nfs/dbraw/zinc/04/69/50/388046950.db2.gz UKCFSJCCHCBHSX-UKRRQHHQSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCCCCC1 ZINC000423268200 388048411 /nfs/dbraw/zinc/04/84/11/388048411.db2.gz UKCFSJCCHCBHSX-ZFWWWQNUSA-N 2 1 240.435 3.308 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000423269601 388049537 /nfs/dbraw/zinc/04/95/37/388049537.db2.gz VXGWULAXGZTCOS-BFHYXJOUSA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000423269602 388048678 /nfs/dbraw/zinc/04/86/78/388048678.db2.gz VXGWULAXGZTCOS-MCIONIFRSA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000423269603 388049009 /nfs/dbraw/zinc/04/90/09/388049009.db2.gz VXGWULAXGZTCOS-MGPQQGTHSA-N 2 1 240.435 3.164 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000423269604 388049840 /nfs/dbraw/zinc/04/98/40/388049840.db2.gz VXGWULAXGZTCOS-MJBXVCDLSA-N 2 1 240.435 3.164 20 0 BGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423271009 388049826 /nfs/dbraw/zinc/04/98/26/388049826.db2.gz ILWVOVAHNZGHAW-BPLDGKMQSA-N 2 1 246.398 3.116 20 0 BGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]([NH3+])C(C)C ZINC000423271010 388049637 /nfs/dbraw/zinc/04/96/37/388049637.db2.gz ILWVOVAHNZGHAW-SNPRPXQTSA-N 2 1 246.398 3.116 20 0 BGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]([NH3+])C(C)C ZINC000423271011 388049605 /nfs/dbraw/zinc/04/96/05/388049605.db2.gz ILWVOVAHNZGHAW-VHDGCEQUSA-N 2 1 246.398 3.116 20 0 BGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423271012 388048795 /nfs/dbraw/zinc/04/87/95/388048795.db2.gz ILWVOVAHNZGHAW-YUELXQCFSA-N 2 1 246.398 3.116 20 0 BGADMP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cs1 ZINC000423271229 388050075 /nfs/dbraw/zinc/05/00/75/388050075.db2.gz XQANYTGAOAGEDR-AAEUAGOBSA-N 2 1 240.416 3.081 20 0 BGADMP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cs1 ZINC000423271231 388049091 /nfs/dbraw/zinc/04/90/91/388049091.db2.gz XQANYTGAOAGEDR-DGCLKSJQSA-N 2 1 240.416 3.081 20 0 BGADMP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cs1 ZINC000423271232 388049374 /nfs/dbraw/zinc/04/93/74/388049374.db2.gz XQANYTGAOAGEDR-WCQYABFASA-N 2 1 240.416 3.081 20 0 BGADMP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cs1 ZINC000423271233 388050061 /nfs/dbraw/zinc/05/00/61/388050061.db2.gz XQANYTGAOAGEDR-YPMHNXCESA-N 2 1 240.416 3.081 20 0 BGADMP CCC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000423271430 388051172 /nfs/dbraw/zinc/05/11/72/388051172.db2.gz HKSSHGDDGCGJFG-CABCVRRESA-N 2 1 238.419 3.062 20 0 BGADMP CCC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000423271431 388051966 /nfs/dbraw/zinc/05/19/66/388051966.db2.gz HKSSHGDDGCGJFG-GJZGRUSLSA-N 2 1 238.419 3.062 20 0 BGADMP CCC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000423271432 388051373 /nfs/dbraw/zinc/05/13/73/388051373.db2.gz HKSSHGDDGCGJFG-HUUCEWRRSA-N 2 1 238.419 3.062 20 0 BGADMP CCC[C@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000423271433 388050940 /nfs/dbraw/zinc/05/09/40/388050940.db2.gz HKSSHGDDGCGJFG-LSDHHAIUSA-N 2 1 238.419 3.062 20 0 BGADMP CCC1CC([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000423271903 388051220 /nfs/dbraw/zinc/05/12/20/388051220.db2.gz HQRWSFSQDHLIQR-UHFFFAOYSA-N 2 1 238.419 3.077 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423272585 388053781 /nfs/dbraw/zinc/05/37/81/388053781.db2.gz ZIVWZRZIOSWHFW-KBPBESRZSA-N 2 1 226.408 3.084 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423272786 388052715 /nfs/dbraw/zinc/05/27/15/388052715.db2.gz ZIVWZRZIOSWHFW-KGLIPLIRSA-N 2 1 226.408 3.084 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423272787 388052904 /nfs/dbraw/zinc/05/29/04/388052904.db2.gz ZIVWZRZIOSWHFW-UONOGXRCSA-N 2 1 226.408 3.084 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423272788 388052683 /nfs/dbraw/zinc/05/26/83/388052683.db2.gz ZIVWZRZIOSWHFW-ZIAGYGMSSA-N 2 1 226.408 3.084 20 0 BGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000423272911 388052528 /nfs/dbraw/zinc/05/25/28/388052528.db2.gz ZRIWUTFJHADLRQ-CHWSQXEVSA-N 2 1 240.416 3.162 20 0 BGADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000423272913 388052840 /nfs/dbraw/zinc/05/28/40/388052840.db2.gz ZRIWUTFJHADLRQ-OLZOCXBDSA-N 2 1 240.416 3.162 20 0 BGADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000423272922 388052418 /nfs/dbraw/zinc/05/24/18/388052418.db2.gz ZRIWUTFJHADLRQ-QWHCGFSZSA-N 2 1 240.416 3.162 20 0 BGADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000423272923 388053955 /nfs/dbraw/zinc/05/39/55/388053955.db2.gz ZRIWUTFJHADLRQ-STQMWFEESA-N 2 1 240.416 3.162 20 0 BGADMP CC1(C)CC[C@@H]1[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423273196 388054028 /nfs/dbraw/zinc/05/40/28/388054028.db2.gz IRYRSFQFCNHJEK-AWEZNQCLSA-N 2 1 238.419 3.077 20 0 BGADMP CC1(C)CC[C@H]1[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423273197 388054060 /nfs/dbraw/zinc/05/40/60/388054060.db2.gz IRYRSFQFCNHJEK-CQSZACIVSA-N 2 1 238.419 3.077 20 0 BGADMP CCC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000423273599 388052892 /nfs/dbraw/zinc/05/28/92/388052892.db2.gz KSIIGXWJONNVNT-CHWSQXEVSA-N 2 1 240.416 3.162 20 0 BGADMP CCC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000423273600 388053189 /nfs/dbraw/zinc/05/31/89/388053189.db2.gz KSIIGXWJONNVNT-OLZOCXBDSA-N 2 1 240.416 3.162 20 0 BGADMP CCC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccsc1 ZINC000423273601 388053893 /nfs/dbraw/zinc/05/38/93/388053893.db2.gz KSIIGXWJONNVNT-QWHCGFSZSA-N 2 1 240.416 3.162 20 0 BGADMP CCC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccsc1 ZINC000423273602 388053086 /nfs/dbraw/zinc/05/30/86/388053086.db2.gz KSIIGXWJONNVNT-STQMWFEESA-N 2 1 240.416 3.162 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423274381 388054476 /nfs/dbraw/zinc/05/44/76/388054476.db2.gz KHKUDKRHABHZKT-BLLLJJGKSA-N 2 1 246.398 3.027 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423274382 388055155 /nfs/dbraw/zinc/05/51/55/388055155.db2.gz KHKUDKRHABHZKT-LRDDRELGSA-N 2 1 246.398 3.027 20 0 BGADMP CCCc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423274383 388055801 /nfs/dbraw/zinc/05/58/01/388055801.db2.gz KHKUDKRHABHZKT-MLGOLLRUSA-N 2 1 246.398 3.027 20 0 BGADMP CCCc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423274384 388054501 /nfs/dbraw/zinc/05/45/01/388054501.db2.gz KHKUDKRHABHZKT-WBMJQRKESA-N 2 1 246.398 3.027 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423275567 388056651 /nfs/dbraw/zinc/05/66/51/388056651.db2.gz LTXPETONKMXLLC-BLLLJJGKSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423275568 388056578 /nfs/dbraw/zinc/05/65/78/388056578.db2.gz LTXPETONKMXLLC-LRDDRELGSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423275569 388056531 /nfs/dbraw/zinc/05/65/31/388056531.db2.gz LTXPETONKMXLLC-MLGOLLRUSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423275570 388056459 /nfs/dbraw/zinc/05/64/59/388056459.db2.gz LTXPETONKMXLLC-WBMJQRKESA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423276004 388056943 /nfs/dbraw/zinc/05/69/43/388056943.db2.gz NWTOMROUJZVBHW-BBRMVZONSA-N 2 1 248.414 3.444 20 0 BGADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423276005 388056952 /nfs/dbraw/zinc/05/69/52/388056952.db2.gz NWTOMROUJZVBHW-CJNGLKHVSA-N 2 1 248.414 3.444 20 0 BGADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423276006 388056374 /nfs/dbraw/zinc/05/63/74/388056374.db2.gz NWTOMROUJZVBHW-CZUORRHYSA-N 2 1 248.414 3.444 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423276007 388057216 /nfs/dbraw/zinc/05/72/16/388057216.db2.gz NWTOMROUJZVBHW-XJKSGUPXSA-N 2 1 248.414 3.444 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccccc21 ZINC000423280330 388062459 /nfs/dbraw/zinc/06/24/59/388062459.db2.gz UOJARXFDXCKPDW-GDBMZVCRSA-N 2 1 246.398 3.027 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccccc21 ZINC000423280331 388061711 /nfs/dbraw/zinc/06/17/11/388061711.db2.gz UOJARXFDXCKPDW-GOEBONIOSA-N 2 1 246.398 3.027 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ccccc21 ZINC000423280332 388062728 /nfs/dbraw/zinc/06/27/28/388062728.db2.gz UOJARXFDXCKPDW-HOCLYGCPSA-N 2 1 246.398 3.027 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccccc21 ZINC000423280333 388061675 /nfs/dbraw/zinc/06/16/75/388061675.db2.gz UOJARXFDXCKPDW-ZBFHGGJFSA-N 2 1 246.398 3.027 20 0 BGADMP CCc1ccc([C@@H](CC)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423282530 388066085 /nfs/dbraw/zinc/06/60/85/388066085.db2.gz VKBWZEAIKPIJSP-CVEARBPZSA-N 2 1 246.398 3.027 20 0 BGADMP CCc1ccc([C@H](CC)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423282531 388065720 /nfs/dbraw/zinc/06/57/20/388065720.db2.gz VKBWZEAIKPIJSP-HOTGVXAUSA-N 2 1 246.398 3.027 20 0 BGADMP CCc1ccc([C@@H](CC)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423282532 388065087 /nfs/dbraw/zinc/06/50/87/388065087.db2.gz VKBWZEAIKPIJSP-HZPDHXFCSA-N 2 1 246.398 3.027 20 0 BGADMP CCc1ccc([C@H](CC)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423282533 388065555 /nfs/dbraw/zinc/06/55/55/388065555.db2.gz VKBWZEAIKPIJSP-JKSUJKDBSA-N 2 1 246.398 3.027 20 0 BGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000423282582 388064994 /nfs/dbraw/zinc/06/49/94/388064994.db2.gz CTVGWPNZJFWXFB-LLVKDONJSA-N 2 1 238.375 3.065 20 0 BGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000423282583 388065265 /nfs/dbraw/zinc/06/52/65/388065265.db2.gz CTVGWPNZJFWXFB-NSHDSACASA-N 2 1 238.375 3.065 20 0 BGADMP CCC[C@H]([NH2+]CC([NH3+])(CC)CC)c1cccnc1 ZINC000423283509 388065187 /nfs/dbraw/zinc/06/51/87/388065187.db2.gz FKXHBVCQRUOARX-AWEZNQCLSA-N 2 1 249.402 3.030 20 0 BGADMP CCC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1cccnc1 ZINC000423283510 388065940 /nfs/dbraw/zinc/06/59/40/388065940.db2.gz FKXHBVCQRUOARX-CQSZACIVSA-N 2 1 249.402 3.030 20 0 BGADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)s1 ZINC000423287876 388072472 /nfs/dbraw/zinc/07/24/72/388072472.db2.gz OZZAQZKJNXIWDC-MRVPVSSYSA-N 2 1 246.807 3.180 20 0 BGADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)s1 ZINC000423287877 388072594 /nfs/dbraw/zinc/07/25/94/388072594.db2.gz OZZAQZKJNXIWDC-QMMMGPOBSA-N 2 1 246.807 3.180 20 0 BGADMP CCC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccccn1 ZINC000423288008 388073311 /nfs/dbraw/zinc/07/33/11/388073311.db2.gz PXFFBAZENDKSLM-CYBMUJFWSA-N 2 1 249.402 3.030 20 0 BGADMP CCC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccccn1 ZINC000423288009 192679840 /nfs/dbraw/zinc/67/98/40/192679840.db2.gz PXFFBAZENDKSLM-ZDUSSCGKSA-N 2 1 249.402 3.030 20 0 BGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1C(C)(C)C ZINC000423288101 388073028 /nfs/dbraw/zinc/07/30/28/388073028.db2.gz QNUCUUGZQQSOLT-GFCCVEGCSA-N 2 1 248.414 3.372 20 0 BGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1C(C)(C)C ZINC000423288102 388072934 /nfs/dbraw/zinc/07/29/34/388072934.db2.gz QNUCUUGZQQSOLT-LBPRGKRZSA-N 2 1 248.414 3.372 20 0 BGADMP CCCc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423288474 388072856 /nfs/dbraw/zinc/07/28/56/388072856.db2.gz SHLISWBDYUXUKK-GFCCVEGCSA-N 2 1 234.387 3.027 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423288475 388072599 /nfs/dbraw/zinc/07/25/99/388072599.db2.gz SHLISWBDYUXUKK-LBPRGKRZSA-N 2 1 234.387 3.027 20 0 BGADMP CC(C)Cc1cccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000423289207 388074103 /nfs/dbraw/zinc/07/41/03/388074103.db2.gz WLKZCTXUJNKPER-CYBMUJFWSA-N 2 1 248.414 3.273 20 0 BGADMP CC(C)Cc1cccc([C@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000423289208 388074407 /nfs/dbraw/zinc/07/44/07/388074407.db2.gz WLKZCTXUJNKPER-ZDUSSCGKSA-N 2 1 248.414 3.273 20 0 BGADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423289587 388075042 /nfs/dbraw/zinc/07/50/42/388075042.db2.gz XUFKYLWOYOQOBO-LLVKDONJSA-N 2 1 246.354 3.129 20 0 BGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423289588 388074875 /nfs/dbraw/zinc/07/48/75/388074875.db2.gz XUFKYLWOYOQOBO-NSHDSACASA-N 2 1 246.354 3.129 20 0 BGADMP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccsc1 ZINC000423291206 192681693 /nfs/dbraw/zinc/68/16/93/192681693.db2.gz HHYMFLFOSGLDTM-GFCCVEGCSA-N 2 1 240.416 3.306 20 0 BGADMP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccsc1 ZINC000423291207 388076322 /nfs/dbraw/zinc/07/63/22/388076322.db2.gz HHYMFLFOSGLDTM-LBPRGKRZSA-N 2 1 240.416 3.306 20 0 BGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1csc(C)c1 ZINC000423292779 388075738 /nfs/dbraw/zinc/07/57/38/388075738.db2.gz OKAGSQUHSXSDHW-LLVKDONJSA-N 2 1 240.416 3.225 20 0 BGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1csc(C)c1 ZINC000423292780 388076036 /nfs/dbraw/zinc/07/60/36/388076036.db2.gz OKAGSQUHSXSDHW-NSHDSACASA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1cccs1 ZINC000423293707 388076353 /nfs/dbraw/zinc/07/63/53/388076353.db2.gz AOIXVSZUTIVJID-NEPJUHHUSA-N 2 1 240.416 3.306 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1cccs1 ZINC000423293708 388076415 /nfs/dbraw/zinc/07/64/15/388076415.db2.gz AOIXVSZUTIVJID-NWDGAFQWSA-N 2 1 240.416 3.306 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1cccs1 ZINC000423293709 388076474 /nfs/dbraw/zinc/07/64/74/388076474.db2.gz AOIXVSZUTIVJID-RYUDHWBXSA-N 2 1 240.416 3.306 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1cccs1 ZINC000423293710 388075783 /nfs/dbraw/zinc/07/57/83/388075783.db2.gz AOIXVSZUTIVJID-VXGBXAGGSA-N 2 1 240.416 3.306 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1sccc1C ZINC000423294225 388076368 /nfs/dbraw/zinc/07/63/68/388076368.db2.gz BKDIUNVDZYSXJW-NEPJUHHUSA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1sccc1C ZINC000423294226 388075584 /nfs/dbraw/zinc/07/55/84/388075584.db2.gz BKDIUNVDZYSXJW-NWDGAFQWSA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1sccc1C ZINC000423294227 388075563 /nfs/dbraw/zinc/07/55/63/388075563.db2.gz BKDIUNVDZYSXJW-RYUDHWBXSA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1sccc1C ZINC000423294228 388076227 /nfs/dbraw/zinc/07/62/27/388076227.db2.gz BKDIUNVDZYSXJW-VXGBXAGGSA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CCC)C1CCCC1 ZINC000423294620 388077695 /nfs/dbraw/zinc/07/76/95/388077695.db2.gz CKFVVNQPHHDQKY-CABCVRRESA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CCC)C1CCCC1 ZINC000423294621 388076920 /nfs/dbraw/zinc/07/69/20/388076920.db2.gz CKFVVNQPHHDQKY-GJZGRUSLSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CCC)C1CCCC1 ZINC000423294622 388077024 /nfs/dbraw/zinc/07/70/24/388077024.db2.gz CKFVVNQPHHDQKY-HUUCEWRRSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CCC)C1CCCC1 ZINC000423294623 192684683 /nfs/dbraw/zinc/68/46/83/192684683.db2.gz CKFVVNQPHHDQKY-LSDHHAIUSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000423294691 388077051 /nfs/dbraw/zinc/07/70/51/388077051.db2.gz CSDSINQBESZWGB-QLFBSQMISA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000423294692 388077038 /nfs/dbraw/zinc/07/70/38/388077038.db2.gz CSDSINQBESZWGB-RBSFLKMASA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000423294693 388077770 /nfs/dbraw/zinc/07/77/70/388077770.db2.gz CSDSINQBESZWGB-RRFJBIMHSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000423294694 388077470 /nfs/dbraw/zinc/07/74/70/388077470.db2.gz CSDSINQBESZWGB-SOUVJXGZSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423295071 388076746 /nfs/dbraw/zinc/07/67/46/388076746.db2.gz DKRDECMLJQRKJQ-CABCVRRESA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423295072 388077235 /nfs/dbraw/zinc/07/72/35/388077235.db2.gz DKRDECMLJQRKJQ-GJZGRUSLSA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423295073 388077335 /nfs/dbraw/zinc/07/73/35/388077335.db2.gz DKRDECMLJQRKJQ-HUUCEWRRSA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423295074 388077442 /nfs/dbraw/zinc/07/74/42/388077442.db2.gz DKRDECMLJQRKJQ-LSDHHAIUSA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000423295083 388077661 /nfs/dbraw/zinc/07/76/61/388077661.db2.gz DLUXDMZGPZFUKX-ILXRZTDVSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000423295084 192683498 /nfs/dbraw/zinc/68/34/98/192683498.db2.gz DLUXDMZGPZFUKX-KFWWJZLASA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000423295085 388077326 /nfs/dbraw/zinc/07/73/26/388077326.db2.gz DLUXDMZGPZFUKX-QLFBSQMISA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000423295086 388077668 /nfs/dbraw/zinc/07/76/68/388077668.db2.gz DLUXDMZGPZFUKX-RBSFLKMASA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)[C@@H](C)CCC ZINC000423295811 388078581 /nfs/dbraw/zinc/07/85/81/388078581.db2.gz FTVMTUYEXMQDJO-BFHYXJOUSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)[C@H](C)CCC ZINC000423295812 388078189 /nfs/dbraw/zinc/07/81/89/388078189.db2.gz FTVMTUYEXMQDJO-MCIONIFRSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)[C@H](C)CCC ZINC000423295813 388078156 /nfs/dbraw/zinc/07/81/56/388078156.db2.gz FTVMTUYEXMQDJO-MGPQQGTHSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000423295814 388078341 /nfs/dbraw/zinc/07/83/41/388078341.db2.gz FTVMTUYEXMQDJO-MJBXVCDLSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000423296324 192686215 /nfs/dbraw/zinc/68/62/15/192686215.db2.gz GQEIZTXNUZOATI-ILXRZTDVSA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000423296325 388078548 /nfs/dbraw/zinc/07/85/48/388078548.db2.gz GQEIZTXNUZOATI-KFWWJZLASA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000423296326 388078499 /nfs/dbraw/zinc/07/84/99/388078499.db2.gz GQEIZTXNUZOATI-QLFBSQMISA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000423296327 388078880 /nfs/dbraw/zinc/07/88/80/388078880.db2.gz GQEIZTXNUZOATI-RBSFLKMASA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H](C)CCCC ZINC000423296502 388078359 /nfs/dbraw/zinc/07/83/59/388078359.db2.gz HCHSXBQHSPZBEC-BFHYXJOUSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])CCCC ZINC000423296503 388078363 /nfs/dbraw/zinc/07/83/63/388078363.db2.gz HCHSXBQHSPZBEC-HZSPNIEDSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000423296504 388078554 /nfs/dbraw/zinc/07/85/54/388078554.db2.gz HCHSXBQHSPZBEC-MELADBBJSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])CCCC ZINC000423296505 388078042 /nfs/dbraw/zinc/07/80/42/388078042.db2.gz HCHSXBQHSPZBEC-MGPQQGTHSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCc2c1cccc2C ZINC000423296522 388078142 /nfs/dbraw/zinc/07/81/42/388078142.db2.gz HDSSPTVABIYHNY-BBRMVZONSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCc2c1cccc2C ZINC000423296523 388078657 /nfs/dbraw/zinc/07/86/57/388078657.db2.gz HDSSPTVABIYHNY-CJNGLKHVSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCc2c1cccc2C ZINC000423296524 388078575 /nfs/dbraw/zinc/07/85/75/388078575.db2.gz HDSSPTVABIYHNY-CZUORRHYSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2c1cccc2C ZINC000423296525 388078506 /nfs/dbraw/zinc/07/85/06/388078506.db2.gz HDSSPTVABIYHNY-XJKSGUPXSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CCC)c1cccnc1 ZINC000423296526 388078087 /nfs/dbraw/zinc/07/80/87/388078087.db2.gz HDWVCWSCTCTFEB-CABCVRRESA-N 2 1 249.402 3.030 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CCC)c1cccnc1 ZINC000423296527 388079000 /nfs/dbraw/zinc/07/90/00/388079000.db2.gz HDWVCWSCTCTFEB-GJZGRUSLSA-N 2 1 249.402 3.030 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CCC)c1cccnc1 ZINC000423296528 388079074 /nfs/dbraw/zinc/07/90/74/388079074.db2.gz HDWVCWSCTCTFEB-HUUCEWRRSA-N 2 1 249.402 3.030 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CCC)c1cccnc1 ZINC000423296529 388078680 /nfs/dbraw/zinc/07/86/80/388078680.db2.gz HDWVCWSCTCTFEB-LSDHHAIUSA-N 2 1 249.402 3.030 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCC12CCCC2 ZINC000423296676 388078517 /nfs/dbraw/zinc/07/85/17/388078517.db2.gz HITIFZDGMAGXBG-KBPBESRZSA-N 2 1 238.419 3.206 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC12CCCC2 ZINC000423296677 388078203 /nfs/dbraw/zinc/07/82/03/388078203.db2.gz HITIFZDGMAGXBG-KGLIPLIRSA-N 2 1 238.419 3.206 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCC12CCCC2 ZINC000423296678 388078840 /nfs/dbraw/zinc/07/88/40/388078840.db2.gz HITIFZDGMAGXBG-UONOGXRCSA-N 2 1 238.419 3.206 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC12CCCC2 ZINC000423296679 388079102 /nfs/dbraw/zinc/07/91/02/388079102.db2.gz HITIFZDGMAGXBG-ZIAGYGMSSA-N 2 1 238.419 3.206 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccsc1 ZINC000423297048 388078266 /nfs/dbraw/zinc/07/82/66/388078266.db2.gz INIJSMURUCFACJ-CHWSQXEVSA-N 2 1 240.416 3.306 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccsc1 ZINC000423297049 388078796 /nfs/dbraw/zinc/07/87/96/388078796.db2.gz INIJSMURUCFACJ-OLZOCXBDSA-N 2 1 240.416 3.306 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccsc1 ZINC000423297050 388078922 /nfs/dbraw/zinc/07/89/22/388078922.db2.gz INIJSMURUCFACJ-QWHCGFSZSA-N 2 1 240.416 3.306 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccsc1 ZINC000423297051 388078419 /nfs/dbraw/zinc/07/84/19/388078419.db2.gz INIJSMURUCFACJ-STQMWFEESA-N 2 1 240.416 3.306 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000423297106 388079010 /nfs/dbraw/zinc/07/90/10/388079010.db2.gz IULBDSNYFUBIPW-CABCVRRESA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000423297107 388078874 /nfs/dbraw/zinc/07/88/74/388078874.db2.gz IULBDSNYFUBIPW-GJZGRUSLSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CCC(C)C)C1CC1 ZINC000423297108 388078327 /nfs/dbraw/zinc/07/83/27/388078327.db2.gz IULBDSNYFUBIPW-HUUCEWRRSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CCC(C)C)C1CC1 ZINC000423297109 388079066 /nfs/dbraw/zinc/07/90/66/388079066.db2.gz IULBDSNYFUBIPW-LSDHHAIUSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCC(C)(C)C ZINC000423297346 388078696 /nfs/dbraw/zinc/07/86/96/388078696.db2.gz JXEJBODXVHTWQV-CHWSQXEVSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCC(C)(C)C ZINC000423297347 388078835 /nfs/dbraw/zinc/07/88/35/388078835.db2.gz JXEJBODXVHTWQV-OLZOCXBDSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCC(C)(C)C ZINC000423297348 388078224 /nfs/dbraw/zinc/07/82/24/388078224.db2.gz JXEJBODXVHTWQV-QWHCGFSZSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCC(C)(C)C ZINC000423297349 388078786 /nfs/dbraw/zinc/07/87/86/388078786.db2.gz JXEJBODXVHTWQV-STQMWFEESA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)s1 ZINC000423297595 388080058 /nfs/dbraw/zinc/08/00/58/388080058.db2.gz KYNRYMGVTWMMTH-NEPJUHHUSA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)s1 ZINC000423297596 388079675 /nfs/dbraw/zinc/07/96/75/388079675.db2.gz KYNRYMGVTWMMTH-NWDGAFQWSA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)s1 ZINC000423297597 388079486 /nfs/dbraw/zinc/07/94/86/388079486.db2.gz KYNRYMGVTWMMTH-RYUDHWBXSA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)s1 ZINC000423297598 388080203 /nfs/dbraw/zinc/08/02/03/388080203.db2.gz KYNRYMGVTWMMTH-VXGBXAGGSA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)C1CCCCC1 ZINC000423297823 388079944 /nfs/dbraw/zinc/07/99/44/388079944.db2.gz MAFWDIMMIXJMSF-GXTWGEPZSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCCCC1 ZINC000423297824 388079898 /nfs/dbraw/zinc/07/98/98/388079898.db2.gz MAFWDIMMIXJMSF-JSGCOSHPSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)C1CCCCC1 ZINC000423297825 388080052 /nfs/dbraw/zinc/08/00/52/388080052.db2.gz MAFWDIMMIXJMSF-OCCSQVGLSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)C1CCCCC1 ZINC000423297826 192688068 /nfs/dbraw/zinc/68/80/68/192688068.db2.gz MAFWDIMMIXJMSF-TZMCWYRMSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]C(C1CCC1)C1CCC1 ZINC000423298045 388079369 /nfs/dbraw/zinc/07/93/69/388079369.db2.gz MWOOXYVCUTUTEU-AWEZNQCLSA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]C(C1CCC1)C1CCC1 ZINC000423298046 388079633 /nfs/dbraw/zinc/07/96/33/388079633.db2.gz MWOOXYVCUTUTEU-CQSZACIVSA-N 2 1 238.419 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccccc1 ZINC000423298055 388080380 /nfs/dbraw/zinc/08/03/80/388080380.db2.gz MXQDOVKAUJCFLT-CABCVRRESA-N 2 1 234.387 3.245 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccccc1 ZINC000423298056 388079967 /nfs/dbraw/zinc/07/99/67/388079967.db2.gz MXQDOVKAUJCFLT-GJZGRUSLSA-N 2 1 234.387 3.245 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccccc1 ZINC000423298057 388080331 /nfs/dbraw/zinc/08/03/31/388080331.db2.gz MXQDOVKAUJCFLT-HUUCEWRRSA-N 2 1 234.387 3.245 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccccc1 ZINC000423298058 388079554 /nfs/dbraw/zinc/07/95/54/388079554.db2.gz MXQDOVKAUJCFLT-LSDHHAIUSA-N 2 1 234.387 3.245 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C)c1 ZINC000423298534 387128931 /nfs/dbraw/zinc/12/89/31/387128931.db2.gz OKQASKJCYUKLRM-DZGCQCFKSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(C)c1 ZINC000423298535 387130593 /nfs/dbraw/zinc/13/05/93/387130593.db2.gz OKQASKJCYUKLRM-HIFRSBDPSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(C)c1 ZINC000423298536 387129134 /nfs/dbraw/zinc/12/91/34/387129134.db2.gz OKQASKJCYUKLRM-UKRRQHHQSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C)c1 ZINC000423298537 387128992 /nfs/dbraw/zinc/12/89/92/387128992.db2.gz OKQASKJCYUKLRM-ZFWWWQNUSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000423299127 387130462 /nfs/dbraw/zinc/13/04/62/387130462.db2.gz PJBGJUQVLTZOBH-CHWSQXEVSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000423299128 387130876 /nfs/dbraw/zinc/13/08/76/387130876.db2.gz PJBGJUQVLTZOBH-OLZOCXBDSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC(C)(C)C1 ZINC000423299130 387129739 /nfs/dbraw/zinc/12/97/39/387129739.db2.gz PJBGJUQVLTZOBH-QWHCGFSZSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCC(C)(C)C1 ZINC000423299131 387130864 /nfs/dbraw/zinc/13/08/64/387130864.db2.gz PJBGJUQVLTZOBH-STQMWFEESA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCC=C(C)C ZINC000423299218 387130849 /nfs/dbraw/zinc/13/08/49/387130849.db2.gz PTGKDIKTVWQGQI-KBPBESRZSA-N 2 1 226.408 3.228 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCC=C(C)C ZINC000423299219 387130730 /nfs/dbraw/zinc/13/07/30/387130730.db2.gz PTGKDIKTVWQGQI-KGLIPLIRSA-N 2 1 226.408 3.228 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCC=C(C)C ZINC000423299220 387130712 /nfs/dbraw/zinc/13/07/12/387130712.db2.gz PTGKDIKTVWQGQI-UONOGXRCSA-N 2 1 226.408 3.228 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCC=C(C)C ZINC000423299221 387130382 /nfs/dbraw/zinc/13/03/82/387130382.db2.gz PTGKDIKTVWQGQI-ZIAGYGMSSA-N 2 1 226.408 3.228 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000423299697 387130697 /nfs/dbraw/zinc/13/06/97/387130697.db2.gz QLJOAVMWUIZHGQ-IOASZLSFSA-N 2 1 246.398 3.342 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000423299698 387128749 /nfs/dbraw/zinc/12/87/49/387128749.db2.gz QLJOAVMWUIZHGQ-WOSRLPQWSA-N 2 1 246.398 3.342 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000423299699 387129636 /nfs/dbraw/zinc/12/96/36/387129636.db2.gz QLJOAVMWUIZHGQ-XJKCOSOUSA-N 2 1 246.398 3.342 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000423299700 387130002 /nfs/dbraw/zinc/13/00/02/387130002.db2.gz QLJOAVMWUIZHGQ-ZENOOKHLSA-N 2 1 246.398 3.342 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)C1CCCCC1 ZINC000423300181 387131801 /nfs/dbraw/zinc/13/18/01/387131801.db2.gz RBIHEVYOCCTGQW-CABCVRRESA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)C1CCCCC1 ZINC000423300182 192689247 /nfs/dbraw/zinc/68/92/47/192689247.db2.gz RBIHEVYOCCTGQW-GJZGRUSLSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)C1CCCCC1 ZINC000423300183 387132830 /nfs/dbraw/zinc/13/28/30/387132830.db2.gz RBIHEVYOCCTGQW-HUUCEWRRSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)C1CCCCC1 ZINC000423300184 387133233 /nfs/dbraw/zinc/13/32/33/387133233.db2.gz RBIHEVYOCCTGQW-LSDHHAIUSA-N 2 1 240.435 3.452 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000423300192 387132424 /nfs/dbraw/zinc/13/24/24/387132424.db2.gz RBMXCDZHGKGUGE-CVEARBPZSA-N 2 1 246.398 3.245 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000423300193 387131513 /nfs/dbraw/zinc/13/15/13/387131513.db2.gz RBMXCDZHGKGUGE-HOTGVXAUSA-N 2 1 246.398 3.245 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](c1ccccc1)C1CC1 ZINC000423300194 387131888 /nfs/dbraw/zinc/13/18/88/387131888.db2.gz RBMXCDZHGKGUGE-HZPDHXFCSA-N 2 1 246.398 3.245 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](c1ccccc1)C1CC1 ZINC000423300195 387132137 /nfs/dbraw/zinc/13/21/37/387132137.db2.gz RBMXCDZHGKGUGE-JKSUJKDBSA-N 2 1 246.398 3.245 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccccc21 ZINC000423300204 387133326 /nfs/dbraw/zinc/13/33/26/387133326.db2.gz RCUZGZFMLVRFGL-GDBMZVCRSA-N 2 1 246.398 3.171 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccccc21 ZINC000423300205 387131960 /nfs/dbraw/zinc/13/19/60/387131960.db2.gz RCUZGZFMLVRFGL-GOEBONIOSA-N 2 1 246.398 3.171 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ccccc21 ZINC000423300206 387133022 /nfs/dbraw/zinc/13/30/22/387133022.db2.gz RCUZGZFMLVRFGL-HOCLYGCPSA-N 2 1 246.398 3.171 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccccc21 ZINC000423300207 387133399 /nfs/dbraw/zinc/13/33/99/387133399.db2.gz RCUZGZFMLVRFGL-ZBFHGGJFSA-N 2 1 246.398 3.171 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)C1CCCC1 ZINC000423300566 387131989 /nfs/dbraw/zinc/13/19/89/387131989.db2.gz RWFYYLOOEKMKGD-KBPBESRZSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)C1CCCC1 ZINC000423300567 387131822 /nfs/dbraw/zinc/13/18/22/387131822.db2.gz RWFYYLOOEKMKGD-KGLIPLIRSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)C1CCCC1 ZINC000423300568 387131354 /nfs/dbraw/zinc/13/13/54/387131354.db2.gz RWFYYLOOEKMKGD-UONOGXRCSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)C1CCCC1 ZINC000423300569 387131940 /nfs/dbraw/zinc/13/19/40/387131940.db2.gz RWFYYLOOEKMKGD-ZIAGYGMSSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000423300846 387132204 /nfs/dbraw/zinc/13/22/04/387132204.db2.gz SGEAXQXEJFMHIZ-DZGCQCFKSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)cc1 ZINC000423300847 387132948 /nfs/dbraw/zinc/13/29/48/387132948.db2.gz SGEAXQXEJFMHIZ-HIFRSBDPSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)cc1 ZINC000423300848 387132684 /nfs/dbraw/zinc/13/26/84/387132684.db2.gz SGEAXQXEJFMHIZ-UKRRQHHQSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000423300849 387132276 /nfs/dbraw/zinc/13/22/76/387132276.db2.gz SGEAXQXEJFMHIZ-ZFWWWQNUSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CCC)C(C)(C)C ZINC000423301521 387134076 /nfs/dbraw/zinc/13/40/76/387134076.db2.gz UEYTYTYLGDUOIY-CHWSQXEVSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CCC)C(C)(C)C ZINC000423301522 387135686 /nfs/dbraw/zinc/13/56/86/387135686.db2.gz UEYTYTYLGDUOIY-OLZOCXBDSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CCC)C(C)(C)C ZINC000423301523 387134247 /nfs/dbraw/zinc/13/42/47/387134247.db2.gz UEYTYTYLGDUOIY-QWHCGFSZSA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CCC)C(C)(C)C ZINC000423301524 387135837 /nfs/dbraw/zinc/13/58/37/387135837.db2.gz UEYTYTYLGDUOIY-STQMWFEESA-N 2 1 228.424 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000423301525 387134655 /nfs/dbraw/zinc/13/46/55/387134655.db2.gz UFGJVWWTIMGGAC-GBJTYRQASA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000423301526 387135803 /nfs/dbraw/zinc/13/58/03/387135803.db2.gz UFGJVWWTIMGGAC-KBUPBQIOSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000423301527 387134174 /nfs/dbraw/zinc/13/41/74/387134174.db2.gz UFGJVWWTIMGGAC-TUVASFSCSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000423301528 387134030 /nfs/dbraw/zinc/13/40/30/387134030.db2.gz UFGJVWWTIMGGAC-YJNKXOJESA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1C ZINC000423301979 387134873 /nfs/dbraw/zinc/13/48/73/387134873.db2.gz UWBGTGQFRHKXGA-KBPBESRZSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccccc1C ZINC000423301979 387134870 /nfs/dbraw/zinc/13/48/70/387134870.db2.gz UWBGTGQFRHKXGA-KBPBESRZSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1C ZINC000423301980 387135716 /nfs/dbraw/zinc/13/57/16/387135716.db2.gz UWBGTGQFRHKXGA-KGLIPLIRSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@@H](C[NH3+])N[C@H](C)c1ccccc1C ZINC000423301980 387135712 /nfs/dbraw/zinc/13/57/12/387135712.db2.gz UWBGTGQFRHKXGA-KGLIPLIRSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1C ZINC000423301981 387135439 /nfs/dbraw/zinc/13/54/39/387135439.db2.gz UWBGTGQFRHKXGA-UONOGXRCSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@H](C[NH3+])N[C@@H](C)c1ccccc1C ZINC000423301981 387135437 /nfs/dbraw/zinc/13/54/37/387135437.db2.gz UWBGTGQFRHKXGA-UONOGXRCSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1C ZINC000423301982 387135671 /nfs/dbraw/zinc/13/56/71/387135671.db2.gz UWBGTGQFRHKXGA-ZIAGYGMSSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@H](C[NH3+])N[C@H](C)c1ccccc1C ZINC000423301982 387135669 /nfs/dbraw/zinc/13/56/69/387135669.db2.gz UWBGTGQFRHKXGA-ZIAGYGMSSA-N 2 1 234.387 3.163 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000423303331 387137209 /nfs/dbraw/zinc/13/72/09/387137209.db2.gz WVBZXJYQYDDSRH-BFHYXJOUSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1CC ZINC000423303332 387137132 /nfs/dbraw/zinc/13/71/32/387137132.db2.gz WVBZXJYQYDDSRH-MCIONIFRSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1CC ZINC000423303333 387136572 /nfs/dbraw/zinc/13/65/72/387136572.db2.gz WVBZXJYQYDDSRH-MGPQQGTHSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1CC ZINC000423303334 387137689 /nfs/dbraw/zinc/13/76/89/387137689.db2.gz WVBZXJYQYDDSRH-MJBXVCDLSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1csc(C)c1 ZINC000423303803 387137824 /nfs/dbraw/zinc/13/78/24/387137824.db2.gz XOHKTPGHRUPQED-AAEUAGOBSA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1csc(C)c1 ZINC000423303805 387136499 /nfs/dbraw/zinc/13/64/99/387136499.db2.gz XOHKTPGHRUPQED-DGCLKSJQSA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1csc(C)c1 ZINC000423303807 387137349 /nfs/dbraw/zinc/13/73/49/387137349.db2.gz XOHKTPGHRUPQED-WCQYABFASA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1csc(C)c1 ZINC000423303809 387137490 /nfs/dbraw/zinc/13/74/90/387137490.db2.gz XOHKTPGHRUPQED-YPMHNXCESA-N 2 1 240.416 3.225 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423304162 387137031 /nfs/dbraw/zinc/13/70/31/387137031.db2.gz YDOKPWZCSKGSRG-BFHYXJOUSA-N 2 1 244.398 3.012 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423304164 387138132 /nfs/dbraw/zinc/13/81/32/387138132.db2.gz YDOKPWZCSKGSRG-MCIONIFRSA-N 2 1 244.398 3.012 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423304165 387138042 /nfs/dbraw/zinc/13/80/42/387138042.db2.gz YDOKPWZCSKGSRG-MGPQQGTHSA-N 2 1 244.398 3.012 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423304167 387137508 /nfs/dbraw/zinc/13/75/08/387137508.db2.gz YDOKPWZCSKGSRG-MJBXVCDLSA-N 2 1 244.398 3.012 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000423304235 192693060 /nfs/dbraw/zinc/69/30/60/192693060.db2.gz YFWQEAZQRGDARM-GDBMZVCRSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000423304237 387137262 /nfs/dbraw/zinc/13/72/62/387137262.db2.gz YFWQEAZQRGDARM-GOEBONIOSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000423304239 387137913 /nfs/dbraw/zinc/13/79/13/387137913.db2.gz YFWQEAZQRGDARM-HOCLYGCPSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000423304241 387137087 /nfs/dbraw/zinc/13/70/87/387137087.db2.gz YFWQEAZQRGDARM-ZBFHGGJFSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CCC)C1CCC1 ZINC000423304955 387139125 /nfs/dbraw/zinc/13/91/25/387139125.db2.gz ZTRYFRDDYOIINS-KBPBESRZSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CCC)C1CCC1 ZINC000423304956 387139298 /nfs/dbraw/zinc/13/92/98/387139298.db2.gz ZTRYFRDDYOIINS-KGLIPLIRSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CCC)C1CCC1 ZINC000423304957 387139986 /nfs/dbraw/zinc/13/99/86/387139986.db2.gz ZTRYFRDDYOIINS-UONOGXRCSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CCC)C1CCC1 ZINC000423304958 387139716 /nfs/dbraw/zinc/13/97/16/387139716.db2.gz ZTRYFRDDYOIINS-ZIAGYGMSSA-N 2 1 226.408 3.062 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423312284 387148298 /nfs/dbraw/zinc/14/82/98/387148298.db2.gz DCQPGVDAMBISBS-BLLLJJGKSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423312285 387148282 /nfs/dbraw/zinc/14/82/82/387148282.db2.gz DCQPGVDAMBISBS-LRDDRELGSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423312286 387149475 /nfs/dbraw/zinc/14/94/75/387149475.db2.gz DCQPGVDAMBISBS-MLGOLLRUSA-N 2 1 246.398 3.198 20 0 BGADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423312287 387148777 /nfs/dbraw/zinc/14/87/77/387148777.db2.gz DCQPGVDAMBISBS-WBMJQRKESA-N 2 1 246.398 3.198 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000423315648 387155838 /nfs/dbraw/zinc/15/58/38/387155838.db2.gz ADGHGORTBGNQGH-CJNGLKHVSA-N 2 1 246.398 3.245 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000423315649 387157761 /nfs/dbraw/zinc/15/77/61/387157761.db2.gz ADGHGORTBGNQGH-CZUORRHYSA-N 2 1 246.398 3.245 20 0 BGADMP CCCc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423318868 387158695 /nfs/dbraw/zinc/15/86/95/387158695.db2.gz DWUCRVUTVDXXMV-CYBMUJFWSA-N 2 1 246.398 3.171 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423318869 387158246 /nfs/dbraw/zinc/15/82/46/387158246.db2.gz DWUCRVUTVDXXMV-ZDUSSCGKSA-N 2 1 246.398 3.171 20 0 BGADMP Cc1ccc([C@@H]([NH2+][C@H](C)C[NH3+])C2CCCC2)cc1 ZINC000423325501 388063169 /nfs/dbraw/zinc/06/31/69/388063169.db2.gz LMOLNWYKASRHGX-CJNGLKHVSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccc([C@H]([NH2+][C@H](C)C[NH3+])C2CCCC2)cc1 ZINC000423325502 388063053 /nfs/dbraw/zinc/06/30/53/388063053.db2.gz LMOLNWYKASRHGX-CZUORRHYSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+][C@H](C)C[NH3+] ZINC000423325562 387230061 /nfs/dbraw/zinc/23/00/61/387230061.db2.gz LPUYDPZAPSXAKZ-HIFRSBDPSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+][C@H](C)C[NH3+] ZINC000423325563 387230076 /nfs/dbraw/zinc/23/00/76/387230076.db2.gz LPUYDPZAPSXAKZ-UKRRQHHQSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1ccccc1[C@@H]([NH2+][C@H](C)C[NH3+])C1CCCC1 ZINC000423326246 387230282 /nfs/dbraw/zinc/23/02/82/387230282.db2.gz MKUAOUJIWBAXMU-CJNGLKHVSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccccc1[C@H]([NH2+][C@H](C)C[NH3+])C1CCCC1 ZINC000423326247 387230403 /nfs/dbraw/zinc/23/04/03/387230403.db2.gz MKUAOUJIWBAXMU-CZUORRHYSA-N 2 1 246.398 3.163 20 0 BGADMP CCC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423326709 387232376 /nfs/dbraw/zinc/23/23/76/387232376.db2.gz MUQQGEDYFDODIS-MFKMUULPSA-N 2 1 240.778 3.118 20 0 BGADMP CCC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423326710 387231721 /nfs/dbraw/zinc/23/17/21/387231721.db2.gz MUQQGEDYFDODIS-ZWNOBZJWSA-N 2 1 240.778 3.118 20 0 BGADMP CCC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccsc1 ZINC000423329283 387172107 /nfs/dbraw/zinc/17/21/07/387172107.db2.gz OQMGCEKUWFRZCQ-GFCCVEGCSA-N 2 1 238.400 3.060 20 0 BGADMP CCC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccsc1 ZINC000423329290 387172773 /nfs/dbraw/zinc/17/27/73/387172773.db2.gz OQMGCEKUWFRZCQ-LBPRGKRZSA-N 2 1 238.400 3.060 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423329442 387172915 /nfs/dbraw/zinc/17/29/15/387172915.db2.gz SUPDQMHWCFCKTC-BLLLJJGKSA-N 2 1 246.398 3.027 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423329444 387172562 /nfs/dbraw/zinc/17/25/62/387172562.db2.gz SUPDQMHWCFCKTC-LRDDRELGSA-N 2 1 246.398 3.027 20 0 BGADMP CCCc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423329445 387172193 /nfs/dbraw/zinc/17/21/93/387172193.db2.gz SUPDQMHWCFCKTC-MLGOLLRUSA-N 2 1 246.398 3.027 20 0 BGADMP CCCc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423329448 387173606 /nfs/dbraw/zinc/17/36/06/387173606.db2.gz SUPDQMHWCFCKTC-WBMJQRKESA-N 2 1 246.398 3.027 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC000423333174 387178506 /nfs/dbraw/zinc/17/85/06/387178506.db2.gz RDRJIQQWDNJEHC-DOMZBBRYSA-N 2 1 246.398 3.027 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC000423333176 387179067 /nfs/dbraw/zinc/17/90/67/387179067.db2.gz RDRJIQQWDNJEHC-IUODEOHRSA-N 2 1 246.398 3.027 20 0 BGADMP CCCCc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423334841 387180747 /nfs/dbraw/zinc/18/07/47/387180747.db2.gz SSNYUXSMGBXOJX-CHWSQXEVSA-N 2 1 234.387 3.027 20 0 BGADMP CCCCc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423334842 387180766 /nfs/dbraw/zinc/18/07/66/387180766.db2.gz SSNYUXSMGBXOJX-OLZOCXBDSA-N 2 1 234.387 3.027 20 0 BGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H](C)C[NH3+])CCC2 ZINC000423336932 387182872 /nfs/dbraw/zinc/18/28/72/387182872.db2.gz USJDBIJQMOTYAQ-MLGOLLRUSA-N 2 1 246.398 3.124 20 0 BGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[NH3+])CCC2 ZINC000423336933 387183305 /nfs/dbraw/zinc/18/33/05/387183305.db2.gz USJDBIJQMOTYAQ-WBMJQRKESA-N 2 1 246.398 3.124 20 0 BGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(C2CC2)c1 ZINC000423338990 387188525 /nfs/dbraw/zinc/18/85/25/387188525.db2.gz WERNHIRTOQILEL-GFCCVEGCSA-N 2 1 244.382 3.096 20 0 BGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(C2CC2)c1 ZINC000423338991 387187282 /nfs/dbraw/zinc/18/72/82/387187282.db2.gz WERNHIRTOQILEL-LBPRGKRZSA-N 2 1 244.382 3.096 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@@H](CCC1CCCC1)C(C)(C)C ZINC000423340101 387187410 /nfs/dbraw/zinc/18/74/10/387187410.db2.gz WTWHLSRXIYFFSL-OCCSQVGLSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@H](C[NH3+])[NH2+][C@H](CCC1CCCC1)C(C)(C)C ZINC000423340102 387187605 /nfs/dbraw/zinc/18/76/05/387187605.db2.gz WTWHLSRXIYFFSL-TZMCWYRMSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000423357366 387207935 /nfs/dbraw/zinc/20/79/35/387207935.db2.gz ADGHGORTBGNQGH-BBRMVZONSA-N 2 1 246.398 3.245 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000423357367 387207914 /nfs/dbraw/zinc/20/79/14/387207914.db2.gz ADGHGORTBGNQGH-XJKSGUPXSA-N 2 1 246.398 3.245 20 0 BGADMP Cc1ccc([C@@H]([NH2+][C@@H](C)C[NH3+])C2CCCC2)cc1 ZINC000423366443 387218783 /nfs/dbraw/zinc/21/87/83/387218783.db2.gz LMOLNWYKASRHGX-BBRMVZONSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccc([C@H]([NH2+][C@@H](C)C[NH3+])C2CCCC2)cc1 ZINC000423366444 387218951 /nfs/dbraw/zinc/21/89/51/387218951.db2.gz LMOLNWYKASRHGX-XJKSGUPXSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+][C@@H](C)C[NH3+] ZINC000423366473 387217440 /nfs/dbraw/zinc/21/74/40/387217440.db2.gz LPUYDPZAPSXAKZ-DZGCQCFKSA-N 2 1 234.387 3.019 20 0 BGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C)C[NH3+] ZINC000423366474 387219483 /nfs/dbraw/zinc/21/94/83/387219483.db2.gz LPUYDPZAPSXAKZ-ZFWWWQNUSA-N 2 1 234.387 3.019 20 0 BGADMP CCC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423368021 387221309 /nfs/dbraw/zinc/22/13/09/387221309.db2.gz MUQQGEDYFDODIS-GWCFXTLKSA-N 2 1 240.778 3.118 20 0 BGADMP CCC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423368022 387220428 /nfs/dbraw/zinc/22/04/28/387220428.db2.gz MUQQGEDYFDODIS-GXFFZTMASA-N 2 1 240.778 3.118 20 0 BGADMP CCCCc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423374363 387254000 /nfs/dbraw/zinc/25/40/00/387254000.db2.gz SSNYUXSMGBXOJX-QWHCGFSZSA-N 2 1 234.387 3.027 20 0 BGADMP CCCCc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423374370 387254067 /nfs/dbraw/zinc/25/40/67/387254067.db2.gz SSNYUXSMGBXOJX-STQMWFEESA-N 2 1 234.387 3.027 20 0 BGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[NH3+])CCC2 ZINC000423376280 387258077 /nfs/dbraw/zinc/25/80/77/387258077.db2.gz USJDBIJQMOTYAQ-BLLLJJGKSA-N 2 1 246.398 3.124 20 0 BGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C[NH3+])CCC2 ZINC000423376281 387257581 /nfs/dbraw/zinc/25/75/81/387257581.db2.gz USJDBIJQMOTYAQ-LRDDRELGSA-N 2 1 246.398 3.124 20 0 BGADMP Cc1ccccc1[C@@H]([NH2+][C@@H](C)C[NH3+])C1CCCC1 ZINC000423393928 387279136 /nfs/dbraw/zinc/27/91/36/387279136.db2.gz MKUAOUJIWBAXMU-BBRMVZONSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccccc1[C@H]([NH2+][C@@H](C)C[NH3+])C1CCCC1 ZINC000423393929 387278961 /nfs/dbraw/zinc/27/89/61/387278961.db2.gz MKUAOUJIWBAXMU-XJKSGUPXSA-N 2 1 246.398 3.163 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC000423402020 387237539 /nfs/dbraw/zinc/23/75/39/387237539.db2.gz RDRJIQQWDNJEHC-SWLSCSKDSA-N 2 1 246.398 3.027 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC000423402021 387238890 /nfs/dbraw/zinc/23/88/90/387238890.db2.gz RDRJIQQWDNJEHC-WFASDCNBSA-N 2 1 246.398 3.027 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@H](CCC1CCCC1)C(C)(C)C ZINC000423408076 387243896 /nfs/dbraw/zinc/24/38/96/387243896.db2.gz WTWHLSRXIYFFSL-GXTWGEPZSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@@H](C[NH3+])[NH2+][C@@H](CCC1CCCC1)C(C)(C)C ZINC000423408077 387244638 /nfs/dbraw/zinc/24/46/38/387244638.db2.gz WTWHLSRXIYFFSL-JSGCOSHPSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000423433308 387283785 /nfs/dbraw/zinc/28/37/85/387283785.db2.gz CAGKTFGSTRDJHN-AGIUHOORSA-N 2 1 248.414 3.370 20 0 BGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000423433309 387284571 /nfs/dbraw/zinc/28/45/71/387284571.db2.gz CAGKTFGSTRDJHN-AVGNSLFASA-N 2 1 248.414 3.370 20 0 BGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000423433310 387284534 /nfs/dbraw/zinc/28/45/34/387284534.db2.gz CAGKTFGSTRDJHN-UPJWGTAASA-N 2 1 248.414 3.370 20 0 BGADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1C(C)(C)C)[C@H](C)[NH3+] ZINC000423433311 387284419 /nfs/dbraw/zinc/28/44/19/387284419.db2.gz CAGKTFGSTRDJHN-XQQFMLRXSA-N 2 1 248.414 3.370 20 0 BGADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423440970 387291570 /nfs/dbraw/zinc/29/15/70/387291570.db2.gz IWDWFTPSBRAXFY-AGIUHOORSA-N 2 1 242.366 3.226 20 0 BGADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423440975 387290169 /nfs/dbraw/zinc/29/01/69/387290169.db2.gz IWDWFTPSBRAXFY-AVGNSLFASA-N 2 1 242.366 3.226 20 0 BGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423440976 387291584 /nfs/dbraw/zinc/29/15/84/387291584.db2.gz IWDWFTPSBRAXFY-UPJWGTAASA-N 2 1 242.366 3.226 20 0 BGADMP C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)[C@H](C)[NH3+] ZINC000423440977 387291054 /nfs/dbraw/zinc/29/10/54/387291054.db2.gz IWDWFTPSBRAXFY-XQQFMLRXSA-N 2 1 242.366 3.226 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423454935 387302569 /nfs/dbraw/zinc/30/25/69/387302569.db2.gz ZRTZXYVEQVLYEH-AGIUHOORSA-N 2 1 234.387 3.025 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423454936 387301971 /nfs/dbraw/zinc/30/19/71/387301971.db2.gz ZRTZXYVEQVLYEH-AVGNSLFASA-N 2 1 234.387 3.025 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423454937 387301511 /nfs/dbraw/zinc/30/15/11/387301511.db2.gz ZRTZXYVEQVLYEH-UPJWGTAASA-N 2 1 234.387 3.025 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423454938 387301985 /nfs/dbraw/zinc/30/19/85/387301985.db2.gz ZRTZXYVEQVLYEH-XQQFMLRXSA-N 2 1 234.387 3.025 20 0 BGADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(Cl)s1 ZINC000423455036 387301384 /nfs/dbraw/zinc/30/13/84/387301384.db2.gz ZXOXBZFVOHFXAB-CIUDSAMLSA-N 2 1 246.807 3.178 20 0 BGADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(Cl)s1 ZINC000423455043 387301333 /nfs/dbraw/zinc/30/13/33/387301333.db2.gz ZXOXBZFVOHFXAB-HLTSFMKQSA-N 2 1 246.807 3.178 20 0 BGADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(Cl)s1 ZINC000423455044 387302347 /nfs/dbraw/zinc/30/23/47/387302347.db2.gz ZXOXBZFVOHFXAB-VGMNWLOBSA-N 2 1 246.807 3.178 20 0 BGADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(Cl)s1 ZINC000423455046 387301639 /nfs/dbraw/zinc/30/16/39/387301639.db2.gz ZXOXBZFVOHFXAB-YIZRAAEISA-N 2 1 246.807 3.178 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000423457430 387305752 /nfs/dbraw/zinc/30/57/52/387305752.db2.gz FQIVGLHCNLIVHB-CHWSQXEVSA-N 2 1 240.778 3.118 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000423457431 387305819 /nfs/dbraw/zinc/30/58/19/387305819.db2.gz FQIVGLHCNLIVHB-OLZOCXBDSA-N 2 1 240.778 3.118 20 0 BGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(Cl)cc1 ZINC000423457432 387306982 /nfs/dbraw/zinc/30/69/82/387306982.db2.gz FQIVGLHCNLIVHB-QWHCGFSZSA-N 2 1 240.778 3.118 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000423457433 387306655 /nfs/dbraw/zinc/30/66/55/387306655.db2.gz FQIVGLHCNLIVHB-STQMWFEESA-N 2 1 240.778 3.118 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000423457485 387305649 /nfs/dbraw/zinc/30/56/49/387305649.db2.gz FXSBMACZWGYLFR-MLGOLLRUSA-N 2 1 242.366 3.228 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000423457486 387305806 /nfs/dbraw/zinc/30/58/06/387305806.db2.gz FXSBMACZWGYLFR-WBMJQRKESA-N 2 1 242.366 3.228 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000423459072 387306924 /nfs/dbraw/zinc/30/69/24/387306924.db2.gz HNZOPRCEPPLDAH-DOMZBBRYSA-N 2 1 248.414 3.372 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000423459073 387305907 /nfs/dbraw/zinc/30/59/07/387305907.db2.gz HNZOPRCEPPLDAH-IUODEOHRSA-N 2 1 248.414 3.372 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000423459074 387305840 /nfs/dbraw/zinc/30/58/40/387305840.db2.gz HNZOPRCEPPLDAH-SWLSCSKDSA-N 2 1 248.414 3.372 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000423459075 387306068 /nfs/dbraw/zinc/30/60/68/387306068.db2.gz HNZOPRCEPPLDAH-WFASDCNBSA-N 2 1 248.414 3.372 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000423459338 387305692 /nfs/dbraw/zinc/30/56/92/387305692.db2.gz HSZFOLFLFIKSKZ-DOMZBBRYSA-N 2 1 234.387 3.198 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000423459339 387307342 /nfs/dbraw/zinc/30/73/42/387307342.db2.gz HSZFOLFLFIKSKZ-IUODEOHRSA-N 2 1 234.387 3.198 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000423459340 387306083 /nfs/dbraw/zinc/30/60/83/387306083.db2.gz HSZFOLFLFIKSKZ-SWLSCSKDSA-N 2 1 234.387 3.198 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000423459341 387307121 /nfs/dbraw/zinc/30/71/21/387307121.db2.gz HSZFOLFLFIKSKZ-WFASDCNBSA-N 2 1 234.387 3.198 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000423460507 387308640 /nfs/dbraw/zinc/30/86/40/387308640.db2.gz IXYQDZWXADPZQO-JBLDHEPKSA-N 2 1 238.400 3.013 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000423460508 387308434 /nfs/dbraw/zinc/30/84/34/387308434.db2.gz IXYQDZWXADPZQO-JFGNBEQYSA-N 2 1 238.400 3.013 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000423460509 387309472 /nfs/dbraw/zinc/30/94/72/387309472.db2.gz IXYQDZWXADPZQO-NHCYSSNCSA-N 2 1 238.400 3.013 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423460510 387308488 /nfs/dbraw/zinc/30/84/88/387308488.db2.gz IXYQDZWXADPZQO-SCVCMEIPSA-N 2 1 238.400 3.013 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1C(C)(C)C ZINC000423460519 387308593 /nfs/dbraw/zinc/30/85/93/387308593.db2.gz IYNHLZXDDDUQOW-CHWSQXEVSA-N 2 1 248.414 3.372 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1C(C)(C)C ZINC000423460520 387308940 /nfs/dbraw/zinc/30/89/40/387308940.db2.gz IYNHLZXDDDUQOW-OLZOCXBDSA-N 2 1 248.414 3.372 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000423460521 387308967 /nfs/dbraw/zinc/30/89/67/387308967.db2.gz IYNHLZXDDDUQOW-QWHCGFSZSA-N 2 1 248.414 3.372 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000423460522 387309206 /nfs/dbraw/zinc/30/92/06/387309206.db2.gz IYNHLZXDDDUQOW-STQMWFEESA-N 2 1 248.414 3.372 20 0 BGADMP CCCc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000423461042 387307940 /nfs/dbraw/zinc/30/79/40/387307940.db2.gz JGDLLNUIXFCSLZ-DOMZBBRYSA-N 2 1 234.387 3.027 20 0 BGADMP CCCc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000423461045 387308275 /nfs/dbraw/zinc/30/82/75/387308275.db2.gz JGDLLNUIXFCSLZ-IUODEOHRSA-N 2 1 234.387 3.027 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000423461046 387308921 /nfs/dbraw/zinc/30/89/21/387308921.db2.gz JGDLLNUIXFCSLZ-SWLSCSKDSA-N 2 1 234.387 3.027 20 0 BGADMP CCCc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000423461047 387308216 /nfs/dbraw/zinc/30/82/16/387308216.db2.gz JGDLLNUIXFCSLZ-WFASDCNBSA-N 2 1 234.387 3.027 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000423464435 387312658 /nfs/dbraw/zinc/31/26/58/387312658.db2.gz LZKGAQJIGQLGEY-BDAKNGLRSA-N 2 1 246.807 3.180 20 0 BGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(Cl)s1 ZINC000423464436 387312128 /nfs/dbraw/zinc/31/21/28/387312128.db2.gz LZKGAQJIGQLGEY-DTWKUNHWSA-N 2 1 246.807 3.180 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000423464437 387312728 /nfs/dbraw/zinc/31/27/28/387312728.db2.gz LZKGAQJIGQLGEY-IUCAKERBSA-N 2 1 246.807 3.180 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000423464438 387312265 /nfs/dbraw/zinc/31/22/65/387312265.db2.gz LZKGAQJIGQLGEY-RKDXNWHRSA-N 2 1 246.807 3.180 20 0 BGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c2ccccc21 ZINC000423471777 387320456 /nfs/dbraw/zinc/32/04/56/387320456.db2.gz PZGUMMZWVZRHJC-APYUEPQZSA-N 2 1 246.398 3.196 20 0 BGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c2ccccc21 ZINC000423471780 387319923 /nfs/dbraw/zinc/31/99/23/387319923.db2.gz PZGUMMZWVZRHJC-KNPMLCFXSA-N 2 1 246.398 3.196 20 0 BGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c2ccccc21 ZINC000423471781 387320045 /nfs/dbraw/zinc/32/00/45/387320045.db2.gz PZGUMMZWVZRHJC-MPTQWLOMSA-N 2 1 246.398 3.196 20 0 BGADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c2ccccc21 ZINC000423471782 387320168 /nfs/dbraw/zinc/32/01/68/387320168.db2.gz PZGUMMZWVZRHJC-VZAMPYOESA-N 2 1 246.398 3.196 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000423478317 387324072 /nfs/dbraw/zinc/32/40/72/387324072.db2.gz ULBOKAVSJVJGNM-DOMZBBRYSA-N 2 1 246.398 3.126 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000423478330 387323538 /nfs/dbraw/zinc/32/35/38/387323538.db2.gz ULBOKAVSJVJGNM-IUODEOHRSA-N 2 1 246.398 3.126 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000423478333 387323589 /nfs/dbraw/zinc/32/35/89/387323589.db2.gz ULBOKAVSJVJGNM-SWLSCSKDSA-N 2 1 246.398 3.126 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000423478335 387323574 /nfs/dbraw/zinc/32/35/74/387323574.db2.gz ULBOKAVSJVJGNM-WFASDCNBSA-N 2 1 246.398 3.126 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000423481981 387327649 /nfs/dbraw/zinc/32/76/49/387327649.db2.gz XCASWEFJVRZNEM-APHBMKBZSA-N 2 1 246.398 3.198 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000423481984 387326327 /nfs/dbraw/zinc/32/63/27/387326327.db2.gz XCASWEFJVRZNEM-MAZHCROVSA-N 2 1 246.398 3.198 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000423481986 387326184 /nfs/dbraw/zinc/32/61/84/387326184.db2.gz XCASWEFJVRZNEM-RCBQFDQVSA-N 2 1 246.398 3.198 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000423481987 387327260 /nfs/dbraw/zinc/32/72/60/387327260.db2.gz XCASWEFJVRZNEM-VBNZEHGJSA-N 2 1 246.398 3.198 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423483440 387329641 /nfs/dbraw/zinc/32/96/41/387329641.db2.gz XUXFRPFQGNSRCM-CMPLNLGQSA-N 2 1 248.395 3.289 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423483444 387329653 /nfs/dbraw/zinc/32/96/53/387329653.db2.gz XUXFRPFQGNSRCM-JQWIXIFHSA-N 2 1 248.395 3.289 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000423483446 387328342 /nfs/dbraw/zinc/32/83/42/387328342.db2.gz XUXFRPFQGNSRCM-PWSUYJOCSA-N 2 1 248.395 3.289 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000423483448 387329864 /nfs/dbraw/zinc/32/98/64/387329864.db2.gz XUXFRPFQGNSRCM-ZYHUDNBSSA-N 2 1 248.395 3.289 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000423486029 387332135 /nfs/dbraw/zinc/33/21/35/387332135.db2.gz ZKQKIQJYQDHXDA-CHWSQXEVSA-N 2 1 240.778 3.118 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000423486030 387330747 /nfs/dbraw/zinc/33/07/47/387330747.db2.gz ZKQKIQJYQDHXDA-OLZOCXBDSA-N 2 1 240.778 3.118 20 0 BGADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1cccc(Cl)c1 ZINC000423486031 387330682 /nfs/dbraw/zinc/33/06/82/387330682.db2.gz ZKQKIQJYQDHXDA-QWHCGFSZSA-N 2 1 240.778 3.118 20 0 BGADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000423486032 387331230 /nfs/dbraw/zinc/33/12/30/387331230.db2.gz ZKQKIQJYQDHXDA-STQMWFEESA-N 2 1 240.778 3.118 20 0 BGADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000423486838 387334729 /nfs/dbraw/zinc/33/47/29/387334729.db2.gz ZZDRVWNSKVXZBH-IHRRRGAJSA-N 2 1 248.414 3.271 20 0 BGADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000423486844 387333661 /nfs/dbraw/zinc/33/36/61/387333661.db2.gz ZZDRVWNSKVXZBH-MCIONIFRSA-N 2 1 248.414 3.271 20 0 BGADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000423486845 192790957 /nfs/dbraw/zinc/79/09/57/192790957.db2.gz ZZDRVWNSKVXZBH-MJBXVCDLSA-N 2 1 248.414 3.271 20 0 BGADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000423486846 387334381 /nfs/dbraw/zinc/33/43/81/387334381.db2.gz ZZDRVWNSKVXZBH-RDBSUJKOSA-N 2 1 248.414 3.271 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423497089 387341226 /nfs/dbraw/zinc/34/12/26/387341226.db2.gz FZSAGBPLHYRQJC-GUTXKFCHSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423497090 387341091 /nfs/dbraw/zinc/34/10/91/387341091.db2.gz FZSAGBPLHYRQJC-GZBFAFLISA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423497091 387341383 /nfs/dbraw/zinc/34/13/83/387341383.db2.gz FZSAGBPLHYRQJC-KCQAQPDRSA-N 2 1 240.435 3.308 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423497092 387341405 /nfs/dbraw/zinc/34/14/05/387341405.db2.gz FZSAGBPLHYRQJC-YDHLFZDLSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@@H](CCC(C)(C)C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423497698 387341120 /nfs/dbraw/zinc/34/11/20/387341120.db2.gz HHXUIJONTAQEGY-GXTWGEPZSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423497699 387341148 /nfs/dbraw/zinc/34/11/48/387341148.db2.gz HHXUIJONTAQEGY-JSGCOSHPSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423497700 387340192 /nfs/dbraw/zinc/34/01/92/387340192.db2.gz HHXUIJONTAQEGY-OCCSQVGLSA-N 2 1 240.435 3.308 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423497701 387341010 /nfs/dbraw/zinc/34/10/10/387341010.db2.gz HHXUIJONTAQEGY-TZMCWYRMSA-N 2 1 240.435 3.308 20 0 BGADMP CC1(C)CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000423500553 387340145 /nfs/dbraw/zinc/34/01/45/387340145.db2.gz KLOXBJRVARCSDR-KBPBESRZSA-N 2 1 238.419 3.062 20 0 BGADMP CC1(C)CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000423500555 387341044 /nfs/dbraw/zinc/34/10/44/387341044.db2.gz KLOXBJRVARCSDR-KGLIPLIRSA-N 2 1 238.419 3.062 20 0 BGADMP CC1(C)CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000423500556 387340966 /nfs/dbraw/zinc/34/09/66/387340966.db2.gz KLOXBJRVARCSDR-UONOGXRCSA-N 2 1 238.419 3.062 20 0 BGADMP CC1(C)CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000423500557 387340831 /nfs/dbraw/zinc/34/08/31/387340831.db2.gz KLOXBJRVARCSDR-ZIAGYGMSSA-N 2 1 238.419 3.062 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000423505983 387343278 /nfs/dbraw/zinc/34/32/78/387343278.db2.gz HRSUDUKOVDPVEM-BBRMVZONSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1cccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000423505985 387342568 /nfs/dbraw/zinc/34/25/68/387342568.db2.gz HRSUDUKOVDPVEM-CJNGLKHVSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1cccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000423505986 387343298 /nfs/dbraw/zinc/34/32/98/387343298.db2.gz HRSUDUKOVDPVEM-CZUORRHYSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1cccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000423505988 387342427 /nfs/dbraw/zinc/34/24/27/387342427.db2.gz HRSUDUKOVDPVEM-XJKSGUPXSA-N 2 1 246.398 3.163 20 0 BGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423508681 387345279 /nfs/dbraw/zinc/34/52/79/387345279.db2.gz JACBZHCYVBKCTQ-CVEARBPZSA-N 2 1 246.398 3.245 20 0 BGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423508684 387344517 /nfs/dbraw/zinc/34/45/17/387344517.db2.gz JACBZHCYVBKCTQ-HOTGVXAUSA-N 2 1 246.398 3.245 20 0 BGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423508686 387345375 /nfs/dbraw/zinc/34/53/75/387345375.db2.gz JACBZHCYVBKCTQ-HZPDHXFCSA-N 2 1 246.398 3.245 20 0 BGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423508688 387345160 /nfs/dbraw/zinc/34/51/60/387345160.db2.gz JACBZHCYVBKCTQ-JKSUJKDBSA-N 2 1 246.398 3.245 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423528168 387358867 /nfs/dbraw/zinc/35/88/67/387358867.db2.gz NGJYLGBZRGBYLW-AEGPPILISA-N 2 1 240.435 3.308 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423528169 387358782 /nfs/dbraw/zinc/35/87/82/387358782.db2.gz NGJYLGBZRGBYLW-CFVMTHIKSA-N 2 1 240.435 3.308 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423528170 387358774 /nfs/dbraw/zinc/35/87/74/387358774.db2.gz NGJYLGBZRGBYLW-NWANDNLSSA-N 2 1 240.435 3.308 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423528171 192805329 /nfs/dbraw/zinc/80/53/29/192805329.db2.gz NGJYLGBZRGBYLW-QEJZJMRPSA-N 2 1 240.435 3.308 20 0 BGADMP CCC[C@@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)C(C)(C)C ZINC000423528744 192804759 /nfs/dbraw/zinc/80/47/59/192804759.db2.gz URDRTYZITSOKLD-UMVBOHGHSA-N 2 1 240.435 3.118 20 0 BGADMP CCC[C@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)C(C)(C)C ZINC000423528746 387358486 /nfs/dbraw/zinc/35/84/86/387358486.db2.gz URDRTYZITSOKLD-VNHYZAJKSA-N 2 1 240.435 3.118 20 0 BGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCCCC1 ZINC000423531983 192804325 /nfs/dbraw/zinc/80/43/25/192804325.db2.gz QREQUAHVYCMRIC-DOMZBBRYSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCCCC1 ZINC000423531984 387359765 /nfs/dbraw/zinc/35/97/65/387359765.db2.gz QREQUAHVYCMRIC-IUODEOHRSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCCCC1 ZINC000423531987 387357567 /nfs/dbraw/zinc/35/75/67/387357567.db2.gz QREQUAHVYCMRIC-SWLSCSKDSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCCCC1 ZINC000423531991 387357426 /nfs/dbraw/zinc/35/74/26/387357426.db2.gz QREQUAHVYCMRIC-WFASDCNBSA-N 2 1 238.419 3.062 20 0 BGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423534376 387361121 /nfs/dbraw/zinc/36/11/21/387361121.db2.gz VSVAPBIBYNTFAT-BBRMVZONSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423534377 387360879 /nfs/dbraw/zinc/36/08/79/387360879.db2.gz VSVAPBIBYNTFAT-CJNGLKHVSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423534378 387360731 /nfs/dbraw/zinc/36/07/31/387360731.db2.gz VSVAPBIBYNTFAT-CZUORRHYSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423534379 387362240 /nfs/dbraw/zinc/36/22/40/387362240.db2.gz VSVAPBIBYNTFAT-XJKSGUPXSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423534985 387361853 /nfs/dbraw/zinc/36/18/53/387361853.db2.gz WXLZPTQRLREKPE-BBRMVZONSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423534986 387361546 /nfs/dbraw/zinc/36/15/46/387361546.db2.gz WXLZPTQRLREKPE-CJNGLKHVSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423534987 387360559 /nfs/dbraw/zinc/36/05/59/387360559.db2.gz WXLZPTQRLREKPE-CZUORRHYSA-N 2 1 246.398 3.163 20 0 BGADMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423534988 387361399 /nfs/dbraw/zinc/36/13/99/387361399.db2.gz WXLZPTQRLREKPE-XJKSGUPXSA-N 2 1 246.398 3.163 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423535978 387361574 /nfs/dbraw/zinc/36/15/74/387361574.db2.gz YVDWEEDBUAQXKH-DZGCQCFKSA-N 2 1 238.419 3.228 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423535979 387361293 /nfs/dbraw/zinc/36/12/93/387361293.db2.gz YVDWEEDBUAQXKH-HIFRSBDPSA-N 2 1 238.419 3.228 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423535980 387361873 /nfs/dbraw/zinc/36/18/73/387361873.db2.gz YVDWEEDBUAQXKH-UKRRQHHQSA-N 2 1 238.419 3.228 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423535981 387360923 /nfs/dbraw/zinc/36/09/23/387360923.db2.gz YVDWEEDBUAQXKH-ZFWWWQNUSA-N 2 1 238.419 3.228 20 0 BGADMP CC[C@H](C)C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423539546 387365346 /nfs/dbraw/zinc/36/53/46/387365346.db2.gz BQRKWPYOTKCAFV-BPUTZDHNSA-N 2 1 246.398 3.115 20 0 BGADMP CC[C@H](C)C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423539547 387366038 /nfs/dbraw/zinc/36/60/38/387366038.db2.gz BQRKWPYOTKCAFV-CWRNSKLLSA-N 2 1 246.398 3.115 20 0 BGADMP CC[C@H](C)C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423539548 387366395 /nfs/dbraw/zinc/36/63/95/387366395.db2.gz BQRKWPYOTKCAFV-IMJJTQAJSA-N 2 1 246.398 3.115 20 0 BGADMP CC[C@H](C)C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423539549 387366712 /nfs/dbraw/zinc/36/67/12/387366712.db2.gz BQRKWPYOTKCAFV-NUEKZKHPSA-N 2 1 246.398 3.115 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C)cc1 ZINC000423561127 387374921 /nfs/dbraw/zinc/37/49/21/387374921.db2.gz PUZZUQUCPDPKLH-CVEARBPZSA-N 2 1 246.398 3.178 20 0 BGADMP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C)cc1 ZINC000423561128 387374525 /nfs/dbraw/zinc/37/45/25/387374525.db2.gz PUZZUQUCPDPKLH-HOTGVXAUSA-N 2 1 246.398 3.178 20 0 BGADMP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C)cc1 ZINC000423561129 387374828 /nfs/dbraw/zinc/37/48/28/387374828.db2.gz PUZZUQUCPDPKLH-HZPDHXFCSA-N 2 1 246.398 3.178 20 0 BGADMP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C)cc1 ZINC000423561130 387374666 /nfs/dbraw/zinc/37/46/66/387374666.db2.gz PUZZUQUCPDPKLH-JKSUJKDBSA-N 2 1 246.398 3.178 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccsc1 ZINC000424377278 529656802 /nfs/dbraw/zinc/65/68/02/529656802.db2.gz QWXKFVVOIXCLHL-FRRDWIJNSA-N 2 1 238.400 3.059 20 0 BGADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccsc1 ZINC000424377279 529202492 /nfs/dbraw/zinc/20/24/92/529202492.db2.gz QWXKFVVOIXCLHL-JHJVBQTASA-N 2 1 238.400 3.059 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000425522940 386325885 /nfs/dbraw/zinc/32/58/85/386325885.db2.gz NRNUYLSWKAALIB-ZIAGYGMSSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000425522940 386325877 /nfs/dbraw/zinc/32/58/77/386325877.db2.gz NRNUYLSWKAALIB-ZIAGYGMSSA-N 2 1 249.402 3.092 20 0 BGADMP CC(C)CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000426483035 387573339 /nfs/dbraw/zinc/57/33/39/387573339.db2.gz HSWWESCTZGHQQV-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CC(C)CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000426483035 387573335 /nfs/dbraw/zinc/57/33/35/387573335.db2.gz HSWWESCTZGHQQV-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CC(C)CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000426483035 387573333 /nfs/dbraw/zinc/57/33/33/387573333.db2.gz HSWWESCTZGHQQV-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CC(C)CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000426483036 387574648 /nfs/dbraw/zinc/57/46/48/387574648.db2.gz HSWWESCTZGHQQV-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CC(C)CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000426483036 387574643 /nfs/dbraw/zinc/57/46/43/387574643.db2.gz HSWWESCTZGHQQV-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CC(C)CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000426483036 387574637 /nfs/dbraw/zinc/57/46/37/387574637.db2.gz HSWWESCTZGHQQV-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H](C)C(C)C ZINC000428266954 201004221 /nfs/dbraw/zinc/00/42/21/201004221.db2.gz UXIKWIRBNLOHIJ-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@H](C)C(C)C ZINC000428266959 201003607 /nfs/dbraw/zinc/00/36/07/201003607.db2.gz UXIKWIRBNLOHIJ-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC000429048130 191091826 /nfs/dbraw/zinc/09/18/26/191091826.db2.gz RFAGYJHSVGCXSS-HNNXBMFYSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC000429048130 191091822 /nfs/dbraw/zinc/09/18/22/191091822.db2.gz RFAGYJHSVGCXSS-HNNXBMFYSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(C)C)C1 ZINC000429048130 191091820 /nfs/dbraw/zinc/09/18/20/191091820.db2.gz RFAGYJHSVGCXSS-HNNXBMFYSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC000429048131 191091524 /nfs/dbraw/zinc/09/15/24/191091524.db2.gz RFAGYJHSVGCXSS-OAHLLOKOSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC000429048131 191091521 /nfs/dbraw/zinc/09/15/21/191091521.db2.gz RFAGYJHSVGCXSS-OAHLLOKOSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC(C)C)C1 ZINC000429048131 191091518 /nfs/dbraw/zinc/09/15/18/191091518.db2.gz RFAGYJHSVGCXSS-OAHLLOKOSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[NH+]1CCC([N@@H+](C)CCCC(C)C)CC1 ZINC000429052753 201064788 /nfs/dbraw/zinc/06/47/88/201064788.db2.gz BGYRKHXLVKCKHW-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC000429054981 201064821 /nfs/dbraw/zinc/06/48/21/201064821.db2.gz RNODDVIQUFHMLW-HNNXBMFYSA-N 2 1 240.435 3.086 20 0 BGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC000429054982 201062816 /nfs/dbraw/zinc/06/28/16/201062816.db2.gz RNODDVIQUFHMLW-OAHLLOKOSA-N 2 1 240.435 3.086 20 0 BGADMP CC(C)CCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000429055646 201064288 /nfs/dbraw/zinc/06/42/88/201064288.db2.gz OANHUGIPBDTMEC-UHFFFAOYSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(C)C)C[C@H]1C ZINC000429057834 201063021 /nfs/dbraw/zinc/06/30/21/201063021.db2.gz BEBVKJHHPYNOMX-CABCVRRESA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(C)C)C[C@H]1C ZINC000429057834 201063017 /nfs/dbraw/zinc/06/30/17/201063017.db2.gz BEBVKJHHPYNOMX-CABCVRRESA-N 2 1 240.435 3.227 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)C)C[C@H]1C ZINC000429057834 201063013 /nfs/dbraw/zinc/06/30/13/201063013.db2.gz BEBVKJHHPYNOMX-CABCVRRESA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(C)C)C[C@@H]1C ZINC000429057836 201062978 /nfs/dbraw/zinc/06/29/78/201062978.db2.gz BEBVKJHHPYNOMX-GJZGRUSLSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(C)C)C[C@@H]1C ZINC000429057836 201062975 /nfs/dbraw/zinc/06/29/75/201062975.db2.gz BEBVKJHHPYNOMX-GJZGRUSLSA-N 2 1 240.435 3.227 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)C)C[C@@H]1C ZINC000429057836 201062971 /nfs/dbraw/zinc/06/29/71/201062971.db2.gz BEBVKJHHPYNOMX-GJZGRUSLSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(C)C)C[C@H]1C ZINC000429057838 201064804 /nfs/dbraw/zinc/06/48/04/201064804.db2.gz BEBVKJHHPYNOMX-HUUCEWRRSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(C)C)C[C@H]1C ZINC000429057838 201064803 /nfs/dbraw/zinc/06/48/03/201064803.db2.gz BEBVKJHHPYNOMX-HUUCEWRRSA-N 2 1 240.435 3.227 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)C)C[C@H]1C ZINC000429057838 201064800 /nfs/dbraw/zinc/06/48/00/201064800.db2.gz BEBVKJHHPYNOMX-HUUCEWRRSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(C)C)C[C@@H]1C ZINC000429057841 201064619 /nfs/dbraw/zinc/06/46/19/201064619.db2.gz BEBVKJHHPYNOMX-LSDHHAIUSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(C)C)C[C@@H]1C ZINC000429057841 201064617 /nfs/dbraw/zinc/06/46/17/201064617.db2.gz BEBVKJHHPYNOMX-LSDHHAIUSA-N 2 1 240.435 3.227 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)C)C[C@@H]1C ZINC000429057841 201064614 /nfs/dbraw/zinc/06/46/14/201064614.db2.gz BEBVKJHHPYNOMX-LSDHHAIUSA-N 2 1 240.435 3.227 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(C)C)[C@H](C)C1 ZINC000429350416 201103187 /nfs/dbraw/zinc/10/31/87/201103187.db2.gz PRNOYKYOHFWRQV-CABCVRRESA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(C)C)[C@H](C)C1 ZINC000429350416 201103183 /nfs/dbraw/zinc/10/31/83/201103183.db2.gz PRNOYKYOHFWRQV-CABCVRRESA-N 2 1 240.435 3.085 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)C)[C@H](C)C1 ZINC000429350416 201103180 /nfs/dbraw/zinc/10/31/80/201103180.db2.gz PRNOYKYOHFWRQV-CABCVRRESA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(C)C)[C@@H](C)C1 ZINC000429350417 201104448 /nfs/dbraw/zinc/10/44/48/201104448.db2.gz PRNOYKYOHFWRQV-GJZGRUSLSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(C)C)[C@@H](C)C1 ZINC000429350417 201104444 /nfs/dbraw/zinc/10/44/44/201104444.db2.gz PRNOYKYOHFWRQV-GJZGRUSLSA-N 2 1 240.435 3.085 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)C)[C@@H](C)C1 ZINC000429350417 201104442 /nfs/dbraw/zinc/10/44/42/201104442.db2.gz PRNOYKYOHFWRQV-GJZGRUSLSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(C)C)[C@H](C)C1 ZINC000429350418 201103520 /nfs/dbraw/zinc/10/35/20/201103520.db2.gz PRNOYKYOHFWRQV-HUUCEWRRSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(C)C)[C@H](C)C1 ZINC000429350418 201103516 /nfs/dbraw/zinc/10/35/16/201103516.db2.gz PRNOYKYOHFWRQV-HUUCEWRRSA-N 2 1 240.435 3.085 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)C)[C@H](C)C1 ZINC000429350418 201103513 /nfs/dbraw/zinc/10/35/13/201103513.db2.gz PRNOYKYOHFWRQV-HUUCEWRRSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(C)C)[C@@H](C)C1 ZINC000429350419 201105166 /nfs/dbraw/zinc/10/51/66/201105166.db2.gz PRNOYKYOHFWRQV-LSDHHAIUSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(C)C)[C@@H](C)C1 ZINC000429350419 201105163 /nfs/dbraw/zinc/10/51/63/201105163.db2.gz PRNOYKYOHFWRQV-LSDHHAIUSA-N 2 1 240.435 3.085 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)C)[C@@H](C)C1 ZINC000429350419 201105160 /nfs/dbraw/zinc/10/51/60/201105160.db2.gz PRNOYKYOHFWRQV-LSDHHAIUSA-N 2 1 240.435 3.085 20 0 BGADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429533829 201112908 /nfs/dbraw/zinc/11/29/08/201112908.db2.gz YDHGUMPPPYMRMH-AWEZNQCLSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(C)(C)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429533830 201112506 /nfs/dbraw/zinc/11/25/06/201112506.db2.gz YDHGUMPPPYMRMH-CQSZACIVSA-N 2 1 240.435 3.229 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429567282 201117411 /nfs/dbraw/zinc/11/74/11/201117411.db2.gz LQHJSJJKLMKGJE-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429567282 201117408 /nfs/dbraw/zinc/11/74/08/201117408.db2.gz LQHJSJJKLMKGJE-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429567285 201118103 /nfs/dbraw/zinc/11/81/03/201118103.db2.gz LQHJSJJKLMKGJE-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429567285 201118100 /nfs/dbraw/zinc/11/81/00/201118100.db2.gz LQHJSJJKLMKGJE-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429567287 201119267 /nfs/dbraw/zinc/11/92/67/201119267.db2.gz LQHJSJJKLMKGJE-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429567287 201119265 /nfs/dbraw/zinc/11/92/65/201119265.db2.gz LQHJSJJKLMKGJE-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429567289 201119032 /nfs/dbraw/zinc/11/90/32/201119032.db2.gz LQHJSJJKLMKGJE-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429567289 201119028 /nfs/dbraw/zinc/11/90/28/201119028.db2.gz LQHJSJJKLMKGJE-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000430566072 398229323 /nfs/dbraw/zinc/22/93/23/398229323.db2.gz BJLASEZAJBZFLR-ILXRZTDVSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000430566078 398229061 /nfs/dbraw/zinc/22/90/61/398229061.db2.gz BJLASEZAJBZFLR-KFWWJZLASA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000430566079 398228708 /nfs/dbraw/zinc/22/87/08/398228708.db2.gz BJLASEZAJBZFLR-QLFBSQMISA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000430566081 398229028 /nfs/dbraw/zinc/22/90/28/398229028.db2.gz BJLASEZAJBZFLR-RBSFLKMASA-N 2 1 240.435 3.166 20 0 BGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000430569273 398229362 /nfs/dbraw/zinc/22/93/62/398229362.db2.gz HHMISJXQYLLLHI-DZGCQCFKSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000430569274 398229332 /nfs/dbraw/zinc/22/93/32/398229332.db2.gz HHMISJXQYLLLHI-HIFRSBDPSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000430569278 398228858 /nfs/dbraw/zinc/22/88/58/398228858.db2.gz HHMISJXQYLLLHI-UKRRQHHQSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000430569281 398228988 /nfs/dbraw/zinc/22/89/88/398228988.db2.gz HHMISJXQYLLLHI-ZFWWWQNUSA-N 2 1 238.419 3.016 20 0 BGADMP CCC[N@@H+](CCC(C)(C)CC)C1CC[NH2+]CC1 ZINC000431073128 387674953 /nfs/dbraw/zinc/67/49/53/387674953.db2.gz IKFNZTIEZMQOHF-UHFFFAOYSA-N 2 1 240.435 3.277 20 0 BGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000433121692 387867108 /nfs/dbraw/zinc/86/71/08/387867108.db2.gz STZZUTZKTYWKTG-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000433121692 387867104 /nfs/dbraw/zinc/86/71/04/387867104.db2.gz STZZUTZKTYWKTG-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000433121693 387867546 /nfs/dbraw/zinc/86/75/46/387867546.db2.gz STZZUTZKTYWKTG-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000433121693 387867541 /nfs/dbraw/zinc/86/75/41/387867541.db2.gz STZZUTZKTYWKTG-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C[NH2+]C1CC(C)(C)C1)[NH+]1CCCCC1 ZINC000433150950 387872123 /nfs/dbraw/zinc/87/21/23/387872123.db2.gz MUMIAUZNDHKZDP-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH2+]C1CC(C)(C)C1)[N@H+]1CCCC[C@H]1C ZINC000433155978 387873313 /nfs/dbraw/zinc/87/33/13/387873313.db2.gz HAADGHSUFNLWJW-CHWSQXEVSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](C[NH2+]C1CC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000433155978 387873309 /nfs/dbraw/zinc/87/33/09/387873309.db2.gz HAADGHSUFNLWJW-CHWSQXEVSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H](C[NH2+]C1CC(C)(C)C1)[N@H+]1CCCC[C@H]1C ZINC000433155979 387873954 /nfs/dbraw/zinc/87/39/54/387873954.db2.gz HAADGHSUFNLWJW-OLZOCXBDSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H](C[NH2+]C1CC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000433155979 387873953 /nfs/dbraw/zinc/87/39/53/387873953.db2.gz HAADGHSUFNLWJW-OLZOCXBDSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](C[NH2+]C1CC(C)(C)C1)[N@H+]1CCCC[C@@H]1C ZINC000433155980 387873687 /nfs/dbraw/zinc/87/36/87/387873687.db2.gz HAADGHSUFNLWJW-QWHCGFSZSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](C[NH2+]C1CC(C)(C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000433155980 387873684 /nfs/dbraw/zinc/87/36/84/387873684.db2.gz HAADGHSUFNLWJW-QWHCGFSZSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H](C[NH2+]C1CC(C)(C)C1)[N@H+]1CCCC[C@@H]1C ZINC000433155981 387873324 /nfs/dbraw/zinc/87/33/24/387873324.db2.gz HAADGHSUFNLWJW-STQMWFEESA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H](C[NH2+]C1CC(C)(C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000433155981 387873320 /nfs/dbraw/zinc/87/33/20/387873320.db2.gz HAADGHSUFNLWJW-STQMWFEESA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000433171507 201163136 /nfs/dbraw/zinc/16/31/36/201163136.db2.gz AMKKUZHEIBKGGW-BETUJISGSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000433171507 201163133 /nfs/dbraw/zinc/16/31/33/201163133.db2.gz AMKKUZHEIBKGGW-BETUJISGSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CC(C)(C)C1 ZINC000433171508 201164103 /nfs/dbraw/zinc/16/41/03/201164103.db2.gz AMKKUZHEIBKGGW-CHWSQXEVSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CC(C)(C)C1 ZINC000433171510 201162964 /nfs/dbraw/zinc/16/29/64/201162964.db2.gz AMKKUZHEIBKGGW-STQMWFEESA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CC(C)(C)C1 ZINC000433244228 201171115 /nfs/dbraw/zinc/17/11/15/201171115.db2.gz UOAOGYHJHOVVKS-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CC(C)(C)C1 ZINC000433244229 201172153 /nfs/dbraw/zinc/17/21/53/201172153.db2.gz UOAOGYHJHOVVKS-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[NH+](C)C1(C[NH2+]CC2(C)CCC2)CCCCC1 ZINC000434755505 541390693 /nfs/dbraw/zinc/39/06/93/541390693.db2.gz AAPIXVBYPLRFKL-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@@H+](CC[NH2+]CC1(C)CCC1)C1CCCCC1 ZINC000434769467 537898799 /nfs/dbraw/zinc/89/87/99/537898799.db2.gz WDMJFELNVUCIMO-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@H+](CC[NH2+]CC1(C)CCC1)C1CCCCC1 ZINC000434769467 537898792 /nfs/dbraw/zinc/89/87/92/537898792.db2.gz WDMJFELNVUCIMO-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC[N@@H+](CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C)C(C)C ZINC000434770782 201238654 /nfs/dbraw/zinc/23/86/54/201238654.db2.gz XBCWHNAZRPQEIJ-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+](CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C)C(C)C ZINC000434770782 201238653 /nfs/dbraw/zinc/23/86/53/201238653.db2.gz XBCWHNAZRPQEIJ-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](CC[NH2+][C@H]1CC(C)(C)C[C@H]1C)C(C)C ZINC000434770783 201239554 /nfs/dbraw/zinc/23/95/54/201239554.db2.gz XBCWHNAZRPQEIJ-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+](CC[NH2+][C@H]1CC(C)(C)C[C@H]1C)C(C)C ZINC000434770783 201239551 /nfs/dbraw/zinc/23/95/51/201239551.db2.gz XBCWHNAZRPQEIJ-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C(C)C ZINC000434770784 201239600 /nfs/dbraw/zinc/23/96/00/201239600.db2.gz XBCWHNAZRPQEIJ-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+](CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C(C)C ZINC000434770784 201239599 /nfs/dbraw/zinc/23/95/99/201239599.db2.gz XBCWHNAZRPQEIJ-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(C)C ZINC000434770785 201239245 /nfs/dbraw/zinc/23/92/45/201239245.db2.gz XBCWHNAZRPQEIJ-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+](CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(C)C ZINC000434770785 201239242 /nfs/dbraw/zinc/23/92/42/201239242.db2.gz XBCWHNAZRPQEIJ-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+]CC1(C)CCC1)[NH+](C)C ZINC000434772751 537899650 /nfs/dbraw/zinc/89/96/50/537899650.db2.gz BLLONOHVLKAVEF-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(CC)[C@@H](C[NH2+]CC1(C)CCC1)[NH+](C)C ZINC000434772752 537899196 /nfs/dbraw/zinc/89/91/96/537899196.db2.gz BLLONOHVLKAVEF-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000434776431 201239565 /nfs/dbraw/zinc/23/95/65/201239565.db2.gz MUKDHGJVDSRFQE-BFHYXJOUSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000434776432 201239289 /nfs/dbraw/zinc/23/92/89/201239289.db2.gz MUKDHGJVDSRFQE-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000434776433 201238336 /nfs/dbraw/zinc/23/83/36/201238336.db2.gz MUKDHGJVDSRFQE-MGPQQGTHSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000434776434 201238560 /nfs/dbraw/zinc/23/85/60/201238560.db2.gz MUKDHGJVDSRFQE-MJBXVCDLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](CC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435389691 201268598 /nfs/dbraw/zinc/26/85/98/201268598.db2.gz LXCYKHBRALBSHF-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP CC[N@@H+](CC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435389692 201268814 /nfs/dbraw/zinc/26/88/14/201268814.db2.gz LXCYKHBRALBSHF-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435622370 201279615 /nfs/dbraw/zinc/27/96/15/201279615.db2.gz RHAOMHSYXXRBMQ-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622372 201280540 /nfs/dbraw/zinc/28/05/40/201280540.db2.gz RHAOMHSYXXRBMQ-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP CC[N@@H+](CCC1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435628662 201279895 /nfs/dbraw/zinc/27/98/95/201279895.db2.gz VPUMLJCOEWIZKC-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP CC[N@@H+](CCC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435628664 201280266 /nfs/dbraw/zinc/28/02/66/201280266.db2.gz VPUMLJCOEWIZKC-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP CCC1CCC([N@@H+](CCC[NH2+]C)C2CC2)CC1 ZINC000435873005 201293383 /nfs/dbraw/zinc/29/33/83/201293383.db2.gz APPOYNGFNDKFEU-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000435875440 201294015 /nfs/dbraw/zinc/29/40/15/201294015.db2.gz CQAUCVUVPRXLGA-INIZCTEOSA-N 2 1 246.398 3.050 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000435875441 201293189 /nfs/dbraw/zinc/29/31/89/201293189.db2.gz CQAUCVUVPRXLGA-MRXNPFEDSA-N 2 1 246.398 3.050 20 0 BGADMP C[NH2+]CCC[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000435878501 201294078 /nfs/dbraw/zinc/29/40/78/201294078.db2.gz CJQDPJOHERQFDO-UHFFFAOYSA-N 2 1 248.414 3.144 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000435878628 201292587 /nfs/dbraw/zinc/29/25/87/201292587.db2.gz DRSAGTWHTWHXFO-INIZCTEOSA-N 2 1 246.398 3.050 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000435878629 201291511 /nfs/dbraw/zinc/29/15/11/201291511.db2.gz DRSAGTWHTWHXFO-MRXNPFEDSA-N 2 1 246.398 3.050 20 0 BGADMP C[NH2+]CCC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000435883580 201296469 /nfs/dbraw/zinc/29/64/69/201296469.db2.gz ZWCQEDHSLPXXHB-UHFFFAOYSA-N 2 1 238.419 3.032 20 0 BGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCC[NH2+]C ZINC000435886013 201295471 /nfs/dbraw/zinc/29/54/71/201295471.db2.gz RFBHEPXHVWYNNL-HNNXBMFYSA-N 2 1 234.387 3.069 20 0 BGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCC[NH2+]C ZINC000435886014 201296498 /nfs/dbraw/zinc/29/64/98/201296498.db2.gz RFBHEPXHVWYNNL-OAHLLOKOSA-N 2 1 234.387 3.069 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000435886069 191329118 /nfs/dbraw/zinc/32/91/18/191329118.db2.gz RUKFLYDBHGFBDE-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000435886070 191329491 /nfs/dbraw/zinc/32/94/91/191329491.db2.gz RUKFLYDBHGFBDE-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000435886589 201296676 /nfs/dbraw/zinc/29/66/76/201296676.db2.gz ZISURGVIHOJVSQ-INIZCTEOSA-N 2 1 246.398 3.132 20 0 BGADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000435886590 201296437 /nfs/dbraw/zinc/29/64/37/201296437.db2.gz ZISURGVIHOJVSQ-MRXNPFEDSA-N 2 1 246.398 3.132 20 0 BGADMP CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436285121 201319152 /nfs/dbraw/zinc/31/91/52/201319152.db2.gz CWRQLEGFYGLPLW-DZGCQCFKSA-N 2 1 238.419 3.172 20 0 BGADMP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436285122 201319959 /nfs/dbraw/zinc/31/99/59/201319959.db2.gz CWRQLEGFYGLPLW-HIFRSBDPSA-N 2 1 238.419 3.172 20 0 BGADMP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436285123 201318587 /nfs/dbraw/zinc/31/85/87/201318587.db2.gz CWRQLEGFYGLPLW-UKRRQHHQSA-N 2 1 238.419 3.172 20 0 BGADMP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436285124 201319165 /nfs/dbraw/zinc/31/91/65/201319165.db2.gz CWRQLEGFYGLPLW-ZFWWWQNUSA-N 2 1 238.419 3.172 20 0 BGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]CCC(C)(C)C ZINC000437984652 201379930 /nfs/dbraw/zinc/37/99/30/201379930.db2.gz HUMDAYUXOHUWKE-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]CCC(C)(C)C ZINC000437984654 201380439 /nfs/dbraw/zinc/38/04/39/201380439.db2.gz HUMDAYUXOHUWKE-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP C[C@@H](C[NH2+]CCC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000438083199 201386054 /nfs/dbraw/zinc/38/60/54/201386054.db2.gz DTCPSYKTRHSZFD-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[NH2+]CCC(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000438083199 201386053 /nfs/dbraw/zinc/38/60/53/201386053.db2.gz DTCPSYKTRHSZFD-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[NH2+]CCC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000438083201 201386299 /nfs/dbraw/zinc/38/62/99/201386299.db2.gz DTCPSYKTRHSZFD-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[NH2+]CCC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000438083201 201386296 /nfs/dbraw/zinc/38/62/96/201386296.db2.gz DTCPSYKTRHSZFD-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](C[NH2+]CCC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000438083203 201386199 /nfs/dbraw/zinc/38/61/99/201386199.db2.gz DTCPSYKTRHSZFD-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](C[NH2+]CCC(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000438083203 201386197 /nfs/dbraw/zinc/38/61/97/201386197.db2.gz DTCPSYKTRHSZFD-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](C[NH2+]CCC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000438083205 201384877 /nfs/dbraw/zinc/38/48/77/201384877.db2.gz DTCPSYKTRHSZFD-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](C[NH2+]CCC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000438083205 201384876 /nfs/dbraw/zinc/38/48/76/201384876.db2.gz DTCPSYKTRHSZFD-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[NH2+]CCC(C)(C)C)[N@H+]1CCCC[C@@H]1C ZINC000438085203 201386269 /nfs/dbraw/zinc/38/62/69/201386269.db2.gz AQTAFGAJQYQKRF-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H](C[NH2+]CCC(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000438085203 201386266 /nfs/dbraw/zinc/38/62/66/201386266.db2.gz AQTAFGAJQYQKRF-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H](C[NH2+]CCC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000438085204 201386077 /nfs/dbraw/zinc/38/60/77/201386077.db2.gz AQTAFGAJQYQKRF-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H](C[NH2+]CCC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000438085204 201386074 /nfs/dbraw/zinc/38/60/74/201386074.db2.gz AQTAFGAJQYQKRF-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H](C[NH2+]CCC(C)(C)C)[N@H+]1CCCC[C@@H]1C ZINC000438085206 201385984 /nfs/dbraw/zinc/38/59/84/201385984.db2.gz AQTAFGAJQYQKRF-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H](C[NH2+]CCC(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000438085206 201385981 /nfs/dbraw/zinc/38/59/81/201385981.db2.gz AQTAFGAJQYQKRF-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H](C[NH2+]CCC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000438085208 201385289 /nfs/dbraw/zinc/38/52/89/201385289.db2.gz AQTAFGAJQYQKRF-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H](C[NH2+]CCC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000438085208 201385285 /nfs/dbraw/zinc/38/52/85/201385285.db2.gz AQTAFGAJQYQKRF-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]CCC(C)(C)C ZINC000438191771 201397561 /nfs/dbraw/zinc/39/75/61/201397561.db2.gz QTJPCTALGMXVLM-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]CCC(C)(C)C ZINC000438191772 201397331 /nfs/dbraw/zinc/39/73/31/201397331.db2.gz QTJPCTALGMXVLM-OKILXGFUSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]CCC(C)(C)C ZINC000438191772 201397329 /nfs/dbraw/zinc/39/73/29/201397329.db2.gz QTJPCTALGMXVLM-OKILXGFUSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]CCC(C)(C)C ZINC000438191773 201396888 /nfs/dbraw/zinc/39/68/88/201396888.db2.gz QTJPCTALGMXVLM-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CCC(C)(C)C ZINC000438208445 201397973 /nfs/dbraw/zinc/39/79/73/201397973.db2.gz MOKMFPJHHZGNEU-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CCC(C)(C)C ZINC000438208445 201397970 /nfs/dbraw/zinc/39/79/70/201397970.db2.gz MOKMFPJHHZGNEU-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCC(C)(C)C ZINC000438208446 201398824 /nfs/dbraw/zinc/39/88/24/201398824.db2.gz MOKMFPJHHZGNEU-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCC(C)(C)C ZINC000438208446 201398822 /nfs/dbraw/zinc/39/88/22/201398822.db2.gz MOKMFPJHHZGNEU-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CCC(C)(C)C ZINC000438208448 201398600 /nfs/dbraw/zinc/39/86/00/201398600.db2.gz MOKMFPJHHZGNEU-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CCC(C)(C)C ZINC000438208448 201398598 /nfs/dbraw/zinc/39/85/98/201398598.db2.gz MOKMFPJHHZGNEU-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCC(C)(C)C ZINC000438208450 201399431 /nfs/dbraw/zinc/39/94/31/201399431.db2.gz MOKMFPJHHZGNEU-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCC(C)(C)C ZINC000438208450 201399428 /nfs/dbraw/zinc/39/94/28/201399428.db2.gz MOKMFPJHHZGNEU-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[NH2+]CCC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000438209240 201398435 /nfs/dbraw/zinc/39/84/35/201398435.db2.gz HDQQNMWBZYIEOE-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](C[NH2+]CCC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000438209241 201398875 /nfs/dbraw/zinc/39/88/75/201398875.db2.gz HDQQNMWBZYIEOE-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000438220368 201397852 /nfs/dbraw/zinc/39/78/52/201397852.db2.gz SBNYZYLCQRMESZ-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438220368 201397847 /nfs/dbraw/zinc/39/78/47/201397847.db2.gz SBNYZYLCQRMESZ-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C)CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000438220369 201399033 /nfs/dbraw/zinc/39/90/33/201399033.db2.gz SBNYZYLCQRMESZ-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438220369 201399030 /nfs/dbraw/zinc/39/90/30/201399030.db2.gz SBNYZYLCQRMESZ-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(C)(C)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442759771 387833841 /nfs/dbraw/zinc/83/38/41/387833841.db2.gz FEGLCFJFKHONTO-PBWFPOADSA-N 2 1 238.419 3.028 20 0 BGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000443059570 193012244 /nfs/dbraw/zinc/01/22/44/193012244.db2.gz NCVABNAGJUNPOA-HNNXBMFYSA-N 2 1 238.419 3.018 20 0 BGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000443059571 193012424 /nfs/dbraw/zinc/01/24/24/193012424.db2.gz NCVABNAGJUNPOA-OAHLLOKOSA-N 2 1 238.419 3.018 20 0 BGADMP CCC[N@@H+](CCC[NH+]1CCCCC1)CC(C)C ZINC000444568990 193050861 /nfs/dbraw/zinc/05/08/61/193050861.db2.gz DMHHRPWPRFKCOD-UHFFFAOYSA-N 2 1 240.435 3.230 20 0 BGADMP CC[C@H](C)C[N@@H+](CC)CCC[NH+]1CCCCC1 ZINC000444590981 193052228 /nfs/dbraw/zinc/05/22/28/193052228.db2.gz BQZGHWSUMYPUTR-HNNXBMFYSA-N 2 1 240.435 3.230 20 0 BGADMP CC[C@@H](C)C[N@@H+](CC)CCC[NH+]1CCCCC1 ZINC000444590983 193052480 /nfs/dbraw/zinc/05/24/80/193052480.db2.gz BQZGHWSUMYPUTR-OAHLLOKOSA-N 2 1 240.435 3.230 20 0 BGADMP CCCC[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000444595149 193052492 /nfs/dbraw/zinc/05/24/92/193052492.db2.gz UNWAVEQEEBBAEO-UHFFFAOYSA-N 2 1 238.419 3.127 20 0 BGADMP CC[C@@H]1CC[C@H](C)[N@H+]1CCC[NH+]1CCCCC1 ZINC000444624678 387893687 /nfs/dbraw/zinc/89/36/87/387893687.db2.gz XHFGWRSADSVRGG-LSDHHAIUSA-N 2 1 238.419 3.125 20 0 BGADMP C[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444626743 397941491 /nfs/dbraw/zinc/94/14/91/397941491.db2.gz VIWUKYSJTGOHKY-OAHLLOKOSA-N 2 1 238.419 3.127 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000444660621 387901479 /nfs/dbraw/zinc/90/14/79/387901479.db2.gz GITGQJYVDGTBDA-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000444660621 387901473 /nfs/dbraw/zinc/90/14/73/387901473.db2.gz GITGQJYVDGTBDA-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000444660627 387900675 /nfs/dbraw/zinc/90/06/75/387900675.db2.gz GITGQJYVDGTBDA-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000444660627 387900671 /nfs/dbraw/zinc/90/06/71/387900671.db2.gz GITGQJYVDGTBDA-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1C ZINC000444678492 387907103 /nfs/dbraw/zinc/90/71/03/387907103.db2.gz RYMLKGFRYMJRIM-CABCVRRESA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCn1cc[nH+]c1C ZINC000444678492 387907100 /nfs/dbraw/zinc/90/71/00/387907100.db2.gz RYMLKGFRYMJRIM-CABCVRRESA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1C ZINC000444678493 387906901 /nfs/dbraw/zinc/90/69/01/387906901.db2.gz RYMLKGFRYMJRIM-GJZGRUSLSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1CCCC[C@@H]1[N@H+](C)CCn1cc[nH+]c1C ZINC000444678493 387906898 /nfs/dbraw/zinc/90/68/98/387906898.db2.gz RYMLKGFRYMJRIM-GJZGRUSLSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCn1cc[nH+]c1C ZINC000444678494 387906189 /nfs/dbraw/zinc/90/61/89/387906189.db2.gz RYMLKGFRYMJRIM-HUUCEWRRSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1CCCC[C@H]1[N@H+](C)CCn1cc[nH+]c1C ZINC000444678494 387906186 /nfs/dbraw/zinc/90/61/86/387906186.db2.gz RYMLKGFRYMJRIM-HUUCEWRRSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CCn1cc[nH+]c1C ZINC000444678495 387906020 /nfs/dbraw/zinc/90/60/20/387906020.db2.gz RYMLKGFRYMJRIM-LSDHHAIUSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H]1CCCC[C@H]1[N@H+](C)CCn1cc[nH+]c1C ZINC000444678495 387906015 /nfs/dbraw/zinc/90/60/15/387906015.db2.gz RYMLKGFRYMJRIM-LSDHHAIUSA-N 2 1 249.402 3.092 20 0 BGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCCC[C@@H]1C ZINC000444680269 387908476 /nfs/dbraw/zinc/90/84/76/387908476.db2.gz WURGYSNVIRIMPQ-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCCC[C@@H]1C ZINC000444680269 387908473 /nfs/dbraw/zinc/90/84/73/387908473.db2.gz WURGYSNVIRIMPQ-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCCC[C@H]1C ZINC000444680270 387909263 /nfs/dbraw/zinc/90/92/63/387909263.db2.gz WURGYSNVIRIMPQ-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCCC[C@H]1C ZINC000444680270 387909259 /nfs/dbraw/zinc/90/92/59/387909259.db2.gz WURGYSNVIRIMPQ-HIFRSBDPSA-N 2 1 249.402 3.092 20 0 BGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCCC[C@H]1C ZINC000444680271 387908343 /nfs/dbraw/zinc/90/83/43/387908343.db2.gz WURGYSNVIRIMPQ-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCCC[C@H]1C ZINC000444680271 387908337 /nfs/dbraw/zinc/90/83/37/387908337.db2.gz WURGYSNVIRIMPQ-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCCC[C@@H]1C ZINC000444680272 387908304 /nfs/dbraw/zinc/90/83/04/387908304.db2.gz WURGYSNVIRIMPQ-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCCC[C@@H]1C ZINC000444680272 387908300 /nfs/dbraw/zinc/90/83/00/387908300.db2.gz WURGYSNVIRIMPQ-ZFWWWQNUSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](CC1CCC1)C(C)C ZINC000444772512 384271748 /nfs/dbraw/zinc/27/17/48/384271748.db2.gz NSMPUPHHJDBKIX-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](CC1CCC1)C(C)C ZINC000444772512 384271743 /nfs/dbraw/zinc/27/17/43/384271743.db2.gz NSMPUPHHJDBKIX-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CCC[N@@H+](CC1CCC1)C(C)C ZINC000444772512 384271738 /nfs/dbraw/zinc/27/17/38/384271738.db2.gz NSMPUPHHJDBKIX-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC(C)(C)C1 ZINC000446064839 387990384 /nfs/dbraw/zinc/99/03/84/387990384.db2.gz ZXOPABOXNVCFLO-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC(C)(C)C1 ZINC000446064839 387990379 /nfs/dbraw/zinc/99/03/79/387990379.db2.gz ZXOPABOXNVCFLO-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP C[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C)CC1 ZINC000447101515 201708345 /nfs/dbraw/zinc/70/83/45/201708345.db2.gz XLTGNXZVEMCMQO-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](CC[NH2+]C[C@H](C)c1ccccc1)C(C)C ZINC000447814883 384975327 /nfs/dbraw/zinc/97/53/27/384975327.db2.gz AQBNFMZPZBJULF-HNNXBMFYSA-N 2 1 248.414 3.110 20 0 BGADMP CC[N@H+](CC[NH2+]C[C@H](C)c1ccccc1)C(C)C ZINC000447814883 384975320 /nfs/dbraw/zinc/97/53/20/384975320.db2.gz AQBNFMZPZBJULF-HNNXBMFYSA-N 2 1 248.414 3.110 20 0 BGADMP CC[N@@H+](CC[NH2+]C[C@@H](C)c1ccccc1)C(C)C ZINC000447814884 384975303 /nfs/dbraw/zinc/97/53/03/384975303.db2.gz AQBNFMZPZBJULF-OAHLLOKOSA-N 2 1 248.414 3.110 20 0 BGADMP CC[N@H+](CC[NH2+]C[C@@H](C)c1ccccc1)C(C)C ZINC000447814884 384975293 /nfs/dbraw/zinc/97/52/93/384975293.db2.gz AQBNFMZPZBJULF-OAHLLOKOSA-N 2 1 248.414 3.110 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CC(C)(C)C1 ZINC000448558340 201267460 /nfs/dbraw/zinc/26/74/60/201267460.db2.gz YMGZOLAYOCJRLN-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CC(C)(C)C1 ZINC000448558340 201267458 /nfs/dbraw/zinc/26/74/58/201267458.db2.gz YMGZOLAYOCJRLN-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@H](C[NH2+][C@@H](CC)C1CCC1)[NH+]1CCCC1 ZINC000449071980 388139382 /nfs/dbraw/zinc/13/93/82/388139382.db2.gz CYCMBMCNGYYOST-CABCVRRESA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C[NH2+][C@@H](CC)C1CCC1)[NH+]1CCCC1 ZINC000449071981 388138651 /nfs/dbraw/zinc/13/86/51/388138651.db2.gz CYCMBMCNGYYOST-GJZGRUSLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C[NH2+][C@H](CC)C1CCC1)[NH+]1CCCC1 ZINC000449071982 388139323 /nfs/dbraw/zinc/13/93/23/388139323.db2.gz CYCMBMCNGYYOST-HUUCEWRRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)C1CCC1 ZINC000449071983 388138932 /nfs/dbraw/zinc/13/89/32/388138932.db2.gz CYCMBMCNGYYOST-LSDHHAIUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCC12CCC2 ZINC000449074586 201803248 /nfs/dbraw/zinc/80/32/48/201803248.db2.gz PWWIYZCJFZYQRW-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCC12CCC2 ZINC000449074867 201804448 /nfs/dbraw/zinc/80/44/48/201804448.db2.gz PWWIYZCJFZYQRW-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000449088756 388140199 /nfs/dbraw/zinc/14/01/99/388140199.db2.gz CBXHBNDOISHYMU-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000449088757 388140362 /nfs/dbraw/zinc/14/03/62/388140362.db2.gz CBXHBNDOISHYMU-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000449088758 388138159 /nfs/dbraw/zinc/13/81/59/388138159.db2.gz CBXHBNDOISHYMU-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000449088759 388138034 /nfs/dbraw/zinc/13/80/34/388138034.db2.gz CBXHBNDOISHYMU-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCC1 ZINC000449089199 201805270 /nfs/dbraw/zinc/80/52/70/201805270.db2.gz JYRBNJQTWVWLFE-HNNXBMFYSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCC1 ZINC000449089200 388141566 /nfs/dbraw/zinc/14/15/66/388141566.db2.gz JYRBNJQTWVWLFE-OAHLLOKOSA-N 2 1 249.402 3.140 20 0 BGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000449108986 388143949 /nfs/dbraw/zinc/14/39/49/388143949.db2.gz WNFPFWQLLNCPOW-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000449108987 388144098 /nfs/dbraw/zinc/14/40/98/388144098.db2.gz WNFPFWQLLNCPOW-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000449108988 388143531 /nfs/dbraw/zinc/14/35/31/388143531.db2.gz WNFPFWQLLNCPOW-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000449108989 388144092 /nfs/dbraw/zinc/14/40/92/388144092.db2.gz WNFPFWQLLNCPOW-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@@H+](CC[NH2+][C@H]1CCCC12CCC2)C(C)C ZINC000449111513 388143699 /nfs/dbraw/zinc/14/36/99/388143699.db2.gz MQTZUJQSRVCDOY-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@H+](CC[NH2+][C@H]1CCCC12CCC2)C(C)C ZINC000449111513 388143697 /nfs/dbraw/zinc/14/36/97/388143697.db2.gz MQTZUJQSRVCDOY-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](CC[NH2+][C@@H]1CCCC12CCC2)C(C)C ZINC000449111514 388143753 /nfs/dbraw/zinc/14/37/53/388143753.db2.gz MQTZUJQSRVCDOY-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@H+](CC[NH2+][C@@H]1CCCC12CCC2)C(C)C ZINC000449111514 388143751 /nfs/dbraw/zinc/14/37/51/388143751.db2.gz MQTZUJQSRVCDOY-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCC1 ZINC000449163141 388150937 /nfs/dbraw/zinc/15/09/37/388150937.db2.gz LJGGBECQMPJHBG-HNNXBMFYSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCC1 ZINC000449163142 388151002 /nfs/dbraw/zinc/15/10/02/388151002.db2.gz LJGGBECQMPJHBG-OAHLLOKOSA-N 2 1 249.402 3.140 20 0 BGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)[C@@H](C)C1 ZINC000449169585 388152054 /nfs/dbraw/zinc/15/20/54/388152054.db2.gz PEQLPIIJARSWIC-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)[C@H](C)C1 ZINC000449169586 388151742 /nfs/dbraw/zinc/15/17/42/388151742.db2.gz PEQLPIIJARSWIC-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)[C@@H](C)C1 ZINC000449169587 388151976 /nfs/dbraw/zinc/15/19/76/388151976.db2.gz PEQLPIIJARSWIC-MJBXVCDLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)[C@H](C)C1 ZINC000449169588 388151574 /nfs/dbraw/zinc/15/15/74/388151574.db2.gz PEQLPIIJARSWIC-RDBSUJKOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H]1CC[C@H](C)[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000449272840 388165349 /nfs/dbraw/zinc/16/53/49/388165349.db2.gz WXHJQQGDZIPNHB-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1CC[C@H](C)[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000449272840 388165347 /nfs/dbraw/zinc/16/53/47/388165347.db2.gz WXHJQQGDZIPNHB-DZGCQCFKSA-N 2 1 249.402 3.092 20 0 BGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCCC1 ZINC000449383896 388189497 /nfs/dbraw/zinc/18/94/97/388189497.db2.gz KTXGPLPJIMRYHQ-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)C(C)(C)C ZINC000449477921 200685189 /nfs/dbraw/zinc/68/51/89/200685189.db2.gz XJLLSHJOAPDBNB-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(C)(C)C ZINC000449477922 384949759 /nfs/dbraw/zinc/94/97/59/384949759.db2.gz XJLLSHJOAPDBNB-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H](CCC1CC1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783317 202034655 /nfs/dbraw/zinc/03/46/55/202034655.db2.gz ODVMETWSNSPWDC-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CCC1CC1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783317 202034652 /nfs/dbraw/zinc/03/46/52/202034652.db2.gz ODVMETWSNSPWDC-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](CCC1CC1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783318 202035633 /nfs/dbraw/zinc/03/56/33/202035633.db2.gz ODVMETWSNSPWDC-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](CCC1CC1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783318 202035630 /nfs/dbraw/zinc/03/56/30/202035630.db2.gz ODVMETWSNSPWDC-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C1=C(C[NH+]2CCC([NH+]3CCCC3)CC2)CCCC1 ZINC000450266220 202114004 /nfs/dbraw/zinc/11/40/04/202114004.db2.gz OSHKDQFXDURMEZ-UHFFFAOYSA-N 2 1 248.414 3.047 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1=CCCCC1 ZINC000450593159 202206230 /nfs/dbraw/zinc/20/62/30/202206230.db2.gz AYWVVEWZRTVJKA-UHFFFAOYSA-N 2 1 247.386 3.014 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1=CCCCC1 ZINC000450593159 202206226 /nfs/dbraw/zinc/20/62/26/202206226.db2.gz AYWVVEWZRTVJKA-UHFFFAOYSA-N 2 1 247.386 3.014 20 0 BGADMP CCC1([NH2+]CCCCn2cc[nH+]c2C)CCCC1 ZINC000451270344 202390745 /nfs/dbraw/zinc/39/07/45/202390745.db2.gz BXFUXWTUXYGTKL-UHFFFAOYSA-N 2 1 249.402 3.284 20 0 BGADMP Cc1nccn1CC[N@@H+]1CCC[C@@]1(C)CC(C)C ZINC000451290302 202396221 /nfs/dbraw/zinc/39/62/21/202396221.db2.gz LUSTYFJBMPBFLI-HNNXBMFYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1nccn1CC[N@@H+]1CCC[C@]1(C)CC(C)C ZINC000451290303 202397652 /nfs/dbraw/zinc/39/76/52/202397652.db2.gz LUSTYFJBMPBFLI-OAHLLOKOSA-N 2 1 249.402 3.092 20 0 BGADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000451416224 388271354 /nfs/dbraw/zinc/27/13/54/388271354.db2.gz APLBNLPFIQZCET-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000451416235 388270742 /nfs/dbraw/zinc/27/07/42/388270742.db2.gz APLBNLPFIQZCET-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000451416236 388271202 /nfs/dbraw/zinc/27/12/02/388271202.db2.gz APLBNLPFIQZCET-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000451416237 388271488 /nfs/dbraw/zinc/27/14/88/388271488.db2.gz APLBNLPFIQZCET-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)CCC1(C)C ZINC000452001362 387696360 /nfs/dbraw/zinc/69/63/60/387696360.db2.gz CQZYCEBCDSCBPT-CYBMUJFWSA-N 2 1 249.402 3.235 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)CCC1(C)C ZINC000452001362 387696358 /nfs/dbraw/zinc/69/63/58/387696358.db2.gz CQZYCEBCDSCBPT-CYBMUJFWSA-N 2 1 249.402 3.235 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@@H](C)CCC1(C)C ZINC000452001363 387696315 /nfs/dbraw/zinc/69/63/15/387696315.db2.gz CQZYCEBCDSCBPT-ZDUSSCGKSA-N 2 1 249.402 3.235 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452001363 387696302 /nfs/dbraw/zinc/69/63/02/387696302.db2.gz CQZYCEBCDSCBPT-ZDUSSCGKSA-N 2 1 249.402 3.235 20 0 BGADMP C[C@H]1CCC(C)(C)[N@H+]1CCC[NH+]1CCCCC1 ZINC000452007462 387700024 /nfs/dbraw/zinc/70/00/24/387700024.db2.gz NGSUDZMYNFHVCE-AWEZNQCLSA-N 2 1 238.419 3.125 20 0 BGADMP C[C@H]1CCC(C)(C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000452007462 387700016 /nfs/dbraw/zinc/70/00/16/387700016.db2.gz NGSUDZMYNFHVCE-AWEZNQCLSA-N 2 1 238.419 3.125 20 0 BGADMP C[C@H]1CCC(C)(C)[N@H+]1CCCN1CCCCC1 ZINC000452007462 387700009 /nfs/dbraw/zinc/70/00/09/387700009.db2.gz NGSUDZMYNFHVCE-AWEZNQCLSA-N 2 1 238.419 3.125 20 0 BGADMP C[C@@H]1CCC(C)(C)[N@H+]1CCC[NH+]1CCCCC1 ZINC000452007463 387700185 /nfs/dbraw/zinc/70/01/85/387700185.db2.gz NGSUDZMYNFHVCE-CQSZACIVSA-N 2 1 238.419 3.125 20 0 BGADMP C[C@@H]1CCC(C)(C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000452007463 387700178 /nfs/dbraw/zinc/70/01/78/387700178.db2.gz NGSUDZMYNFHVCE-CQSZACIVSA-N 2 1 238.419 3.125 20 0 BGADMP C[C@@H]1CCC(C)(C)[N@H+]1CCCN1CCCCC1 ZINC000452007463 387700170 /nfs/dbraw/zinc/70/01/70/387700170.db2.gz NGSUDZMYNFHVCE-CQSZACIVSA-N 2 1 238.419 3.125 20 0 BGADMP Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c1 ZINC000452077191 386263207 /nfs/dbraw/zinc/26/32/07/386263207.db2.gz DEOFKXWRSGWNSY-GDBMZVCRSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)c1 ZINC000452077193 386262933 /nfs/dbraw/zinc/26/29/33/386262933.db2.gz DEOFKXWRSGWNSY-GOEBONIOSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c1 ZINC000452077195 386262686 /nfs/dbraw/zinc/26/26/86/386262686.db2.gz DEOFKXWRSGWNSY-HOCLYGCPSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)c1 ZINC000452077199 386262892 /nfs/dbraw/zinc/26/28/92/386262892.db2.gz DEOFKXWRSGWNSY-ZBFHGGJFSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1[nH+]ccn1CC[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000452102271 387735955 /nfs/dbraw/zinc/73/59/55/387735955.db2.gz HWVXMBWPWDNXNT-UHFFFAOYSA-N 2 1 249.402 3.091 20 0 BGADMP Cc1[nH+]ccn1CC[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000452102271 387735947 /nfs/dbraw/zinc/73/59/47/387735947.db2.gz HWVXMBWPWDNXNT-UHFFFAOYSA-N 2 1 249.402 3.091 20 0 BGADMP CC(C)[N@@H+](CCCn1ccnc1)C1CC(C)(C)C1 ZINC000452103587 387738842 /nfs/dbraw/zinc/73/88/42/387738842.db2.gz KWVYVDOSOPCMNP-UHFFFAOYSA-N 2 1 249.402 3.172 20 0 BGADMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000453055904 387975264 /nfs/dbraw/zinc/97/52/64/387975264.db2.gz BNLYZWASELUOJJ-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000453055905 387975061 /nfs/dbraw/zinc/97/50/61/387975061.db2.gz BNLYZWASELUOJJ-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000453055906 387974288 /nfs/dbraw/zinc/97/42/88/387974288.db2.gz BNLYZWASELUOJJ-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000453055907 387975387 /nfs/dbraw/zinc/97/53/87/387975387.db2.gz BNLYZWASELUOJJ-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CCC1 ZINC000453056221 387974441 /nfs/dbraw/zinc/97/44/41/387974441.db2.gz FGKPCHYBDFCJFN-HNNXBMFYSA-N 2 1 249.402 3.140 20 0 BGADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CCC1 ZINC000453056222 202694841 /nfs/dbraw/zinc/69/48/41/202694841.db2.gz FGKPCHYBDFCJFN-OAHLLOKOSA-N 2 1 249.402 3.140 20 0 BGADMP CCC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000453065659 387977226 /nfs/dbraw/zinc/97/72/26/387977226.db2.gz UQLBRYUPWUVABR-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000453065660 387977298 /nfs/dbraw/zinc/97/72/98/387977298.db2.gz UQLBRYUPWUVABR-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000453065661 387976903 /nfs/dbraw/zinc/97/69/03/387976903.db2.gz UQLBRYUPWUVABR-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C(C)(C)C ZINC000453065662 387976995 /nfs/dbraw/zinc/97/69/95/387976995.db2.gz UQLBRYUPWUVABR-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000453117321 387988149 /nfs/dbraw/zinc/98/81/49/387988149.db2.gz KBXTZHBXDNLZRS-IHRRRGAJSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000453117321 387988146 /nfs/dbraw/zinc/98/81/46/387988146.db2.gz KBXTZHBXDNLZRS-IHRRRGAJSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000453117323 387986928 /nfs/dbraw/zinc/98/69/28/387986928.db2.gz KBXTZHBXDNLZRS-MCIONIFRSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000453117323 387986927 /nfs/dbraw/zinc/98/69/27/387986927.db2.gz KBXTZHBXDNLZRS-MCIONIFRSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000453117325 387987996 /nfs/dbraw/zinc/98/79/96/387987996.db2.gz KBXTZHBXDNLZRS-MJBXVCDLSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000453117325 387987991 /nfs/dbraw/zinc/98/79/91/387987991.db2.gz KBXTZHBXDNLZRS-MJBXVCDLSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000453117326 387988363 /nfs/dbraw/zinc/98/83/63/387988363.db2.gz KBXTZHBXDNLZRS-RDBSUJKOSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000453117326 387988358 /nfs/dbraw/zinc/98/83/58/387988358.db2.gz KBXTZHBXDNLZRS-RDBSUJKOSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)C ZINC000453174697 388003649 /nfs/dbraw/zinc/00/36/49/388003649.db2.gz JWALOOVJDAMFRS-AWEZNQCLSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)C ZINC000453174698 388003385 /nfs/dbraw/zinc/00/33/85/388003385.db2.gz JWALOOVJDAMFRS-CQSZACIVSA-N 2 1 238.419 3.053 20 0 BGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000453341976 388052166 /nfs/dbraw/zinc/05/21/66/388052166.db2.gz HVVSBORWKPKQAF-GSPSYOTPSA-N 2 1 238.419 3.026 20 0 BGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000453341977 388051910 /nfs/dbraw/zinc/05/19/10/388051910.db2.gz HVVSBORWKPKQAF-WTUNAVPPSA-N 2 1 238.419 3.026 20 0 BGADMP CCC[C@@H](CC)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453387834 202758416 /nfs/dbraw/zinc/75/84/16/202758416.db2.gz BIMBFAFFBSKWLK-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCC[C@H](CC)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453387835 388067745 /nfs/dbraw/zinc/06/77/45/388067745.db2.gz BIMBFAFFBSKWLK-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)C ZINC000453389457 388067438 /nfs/dbraw/zinc/06/74/38/388067438.db2.gz CMIVYYOIKMPUNB-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)C ZINC000453389458 388067106 /nfs/dbraw/zinc/06/71/06/388067106.db2.gz CMIVYYOIKMPUNB-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCC1 ZINC000453389963 388066729 /nfs/dbraw/zinc/06/67/29/388066729.db2.gz CPAZJOZDEFKCCW-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCC1 ZINC000453389965 388067465 /nfs/dbraw/zinc/06/74/65/388067465.db2.gz CPAZJOZDEFKCCW-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CCC1CC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453399259 388071927 /nfs/dbraw/zinc/07/19/27/388071927.db2.gz LFIQMKIUCBFJLO-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](CCC1CC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453399260 388072204 /nfs/dbraw/zinc/07/22/04/388072204.db2.gz LFIQMKIUCBFJLO-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000453400369 388072182 /nfs/dbraw/zinc/07/21/82/388072182.db2.gz LVXSUNLSBPLHNR-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000453400370 388072716 /nfs/dbraw/zinc/07/27/16/388072716.db2.gz LVXSUNLSBPLHNR-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@@H+](CCCC[NH2+]C1CCCCCC1)C1CC1 ZINC000453402417 388073220 /nfs/dbraw/zinc/07/32/20/388073220.db2.gz AAZIVSMIIPQJGR-UHFFFAOYSA-N 2 1 238.419 3.173 20 0 BGADMP C[C@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402458 388073668 /nfs/dbraw/zinc/07/36/68/388073668.db2.gz ACRLYBZDODGTFN-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402459 388073676 /nfs/dbraw/zinc/07/36/76/388073676.db2.gz ACRLYBZDODGTFN-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402460 388073298 /nfs/dbraw/zinc/07/32/98/388073298.db2.gz ACRLYBZDODGTFN-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402461 388073155 /nfs/dbraw/zinc/07/31/55/388073155.db2.gz ACRLYBZDODGTFN-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453408709 386598238 /nfs/dbraw/zinc/59/82/38/386598238.db2.gz FRPXFFPHUASMJY-AWEZNQCLSA-N 2 1 246.398 3.212 20 0 BGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000453408715 386598629 /nfs/dbraw/zinc/59/86/29/386598629.db2.gz FRPXFFPHUASMJY-CQSZACIVSA-N 2 1 246.398 3.212 20 0 BGADMP CC1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453409145 388075831 /nfs/dbraw/zinc/07/58/31/388075831.db2.gz FRVYDNIWDDGMRQ-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCC1(C)C)C1CC1 ZINC000453410068 388076537 /nfs/dbraw/zinc/07/65/37/388076537.db2.gz UTRRPKCRBDZTMM-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCC1(C)C)C1CC1 ZINC000453410069 388076824 /nfs/dbraw/zinc/07/68/24/388076824.db2.gz UTRRPKCRBDZTMM-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410791 388077054 /nfs/dbraw/zinc/07/70/54/388077054.db2.gz VFSHTOTVNZHFPV-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453410792 388076716 /nfs/dbraw/zinc/07/67/16/388076716.db2.gz VFSHTOTVNZHFPV-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCC1 ZINC000453416584 388078865 /nfs/dbraw/zinc/07/88/65/388078865.db2.gz XSAKPGAJMKGDTJ-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCCC1 ZINC000453416587 388078556 /nfs/dbraw/zinc/07/85/56/388078556.db2.gz XSAKPGAJMKGDTJ-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453420512 388079154 /nfs/dbraw/zinc/07/91/54/388079154.db2.gz KOVVJIZYTYZEBF-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453420513 388079181 /nfs/dbraw/zinc/07/91/81/388079181.db2.gz KOVVJIZYTYZEBF-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453424853 388069778 /nfs/dbraw/zinc/06/97/78/388069778.db2.gz MYYOHUYWXKQSFI-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCCC[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453424854 388068875 /nfs/dbraw/zinc/06/88/75/388068875.db2.gz MYYOHUYWXKQSFI-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP C[C@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453425776 388080806 /nfs/dbraw/zinc/08/08/06/388080806.db2.gz NWMLGCMDRBPKEV-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453425777 388080701 /nfs/dbraw/zinc/08/07/01/388080701.db2.gz NWMLGCMDRBPKEV-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453425778 388080531 /nfs/dbraw/zinc/08/05/31/388080531.db2.gz NWMLGCMDRBPKEV-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453425779 388080730 /nfs/dbraw/zinc/08/07/30/388080730.db2.gz NWMLGCMDRBPKEV-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)C[C@H](C)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453591641 388088141 /nfs/dbraw/zinc/08/81/41/388088141.db2.gz DBBGUZGTISDPGN-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)C[C@@H](C)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453591642 388089208 /nfs/dbraw/zinc/08/92/08/388089208.db2.gz DBBGUZGTISDPGN-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000453595102 388089118 /nfs/dbraw/zinc/08/91/18/388089118.db2.gz DDCJJKNZNRHCEZ-GFCCVEGCSA-N 2 1 249.402 3.062 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000453595103 388088396 /nfs/dbraw/zinc/08/83/96/388088396.db2.gz DDCJJKNZNRHCEZ-LBPRGKRZSA-N 2 1 249.402 3.062 20 0 BGADMP C[N@@H+](CCCC[NH2+]CC1CCCCC1)C1CC1 ZINC000453602574 388091547 /nfs/dbraw/zinc/09/15/47/388091547.db2.gz XAAMMQDHDCIEKJ-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459389613 203272282 /nfs/dbraw/zinc/27/22/82/203272282.db2.gz NJIPNYPOIRNFSE-UHFFFAOYSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459556047 203301733 /nfs/dbraw/zinc/30/17/33/203301733.db2.gz ASFPNZYKFRFOJS-HSBZDZAISA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459556047 203301729 /nfs/dbraw/zinc/30/17/29/203301729.db2.gz ASFPNZYKFRFOJS-HSBZDZAISA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459556048 203300797 /nfs/dbraw/zinc/30/07/97/203300797.db2.gz ASFPNZYKFRFOJS-IYXRBSQSSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459556048 203300793 /nfs/dbraw/zinc/30/07/93/203300793.db2.gz ASFPNZYKFRFOJS-IYXRBSQSSA-N 2 1 240.435 3.129 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000459559166 203301893 /nfs/dbraw/zinc/30/18/93/203301893.db2.gz HZNVACGZHBLJEE-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000459559166 203301890 /nfs/dbraw/zinc/30/18/90/203301890.db2.gz HZNVACGZHBLJEE-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000459559167 203302444 /nfs/dbraw/zinc/30/24/44/203302444.db2.gz HZNVACGZHBLJEE-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC2(CCC2)C1 ZINC000459559167 203302441 /nfs/dbraw/zinc/30/24/41/203302441.db2.gz HZNVACGZHBLJEE-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000459605152 203314356 /nfs/dbraw/zinc/31/43/56/203314356.db2.gz COERYGCIAGLVTE-DZGCQCFKSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000459605153 203314866 /nfs/dbraw/zinc/31/48/66/203314866.db2.gz COERYGCIAGLVTE-HIFRSBDPSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000459605154 203314727 /nfs/dbraw/zinc/31/47/27/203314727.db2.gz COERYGCIAGLVTE-UKRRQHHQSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000459605155 203315329 /nfs/dbraw/zinc/31/53/29/203315329.db2.gz COERYGCIAGLVTE-ZFWWWQNUSA-N 2 1 249.402 3.140 20 0 BGADMP C[C@@H]1CCCC[C@]1(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000459618750 203319051 /nfs/dbraw/zinc/31/90/51/203319051.db2.gz SPQIPCKEPLEPBA-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@]1(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000459618751 203319821 /nfs/dbraw/zinc/31/98/21/203319821.db2.gz SPQIPCKEPLEPBA-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@@]1(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000459618752 203318314 /nfs/dbraw/zinc/31/83/14/203318314.db2.gz SPQIPCKEPLEPBA-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCCC[C@@]1(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000459618753 203319977 /nfs/dbraw/zinc/31/99/77/203319977.db2.gz SPQIPCKEPLEPBA-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCCCCC2)C1 ZINC000459721045 203341652 /nfs/dbraw/zinc/34/16/52/203341652.db2.gz AGWCPWWLUSRAFW-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCCCCC2)C1 ZINC000459721046 203342033 /nfs/dbraw/zinc/34/20/33/203342033.db2.gz AGWCPWWLUSRAFW-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459724915 203342274 /nfs/dbraw/zinc/34/22/74/203342274.db2.gz FGWCHZANFRGJCG-CABCVRRESA-N 2 1 246.398 3.069 20 0 BGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459724916 203341873 /nfs/dbraw/zinc/34/18/73/203341873.db2.gz FGWCHZANFRGJCG-GJZGRUSLSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459724917 203342368 /nfs/dbraw/zinc/34/23/68/203342368.db2.gz FGWCHZANFRGJCG-HUUCEWRRSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459724918 203341095 /nfs/dbraw/zinc/34/10/95/203341095.db2.gz FGWCHZANFRGJCG-LSDHHAIUSA-N 2 1 246.398 3.069 20 0 BGADMP CCCC(CCC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459744785 203351100 /nfs/dbraw/zinc/35/11/00/203351100.db2.gz XWCMTBVOZIHECM-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC(CCC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459744787 203352154 /nfs/dbraw/zinc/35/21/54/203352154.db2.gz XWCMTBVOZIHECM-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[C@H](CC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459775366 203364545 /nfs/dbraw/zinc/36/45/45/203364545.db2.gz JNBPDHUPRDZWHH-CABCVRRESA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[C@H](CC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459775368 203364819 /nfs/dbraw/zinc/36/48/19/203364819.db2.gz JNBPDHUPRDZWHH-GJZGRUSLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[C@@H](CC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459775369 203366178 /nfs/dbraw/zinc/36/61/78/203366178.db2.gz JNBPDHUPRDZWHH-HUUCEWRRSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[C@@H](CC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459775370 203366114 /nfs/dbraw/zinc/36/61/14/203366114.db2.gz JNBPDHUPRDZWHH-LSDHHAIUSA-N 2 1 240.435 3.277 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459777175 203366324 /nfs/dbraw/zinc/36/63/24/203366324.db2.gz KGAXGRPRPINNFJ-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459777176 203364404 /nfs/dbraw/zinc/36/44/04/203364404.db2.gz KGAXGRPRPINNFJ-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459777178 203364444 /nfs/dbraw/zinc/36/44/44/203364444.db2.gz KGAXGRPRPINNFJ-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459777181 203366467 /nfs/dbraw/zinc/36/64/67/203366467.db2.gz KGAXGRPRPINNFJ-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCC1 ZINC000459789281 203369298 /nfs/dbraw/zinc/36/92/98/203369298.db2.gz GASGNCGEZPNBAN-CABCVRRESA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCC1 ZINC000459789283 203370686 /nfs/dbraw/zinc/37/06/86/203370686.db2.gz GASGNCGEZPNBAN-GJZGRUSLSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCC1 ZINC000459789284 203369076 /nfs/dbraw/zinc/36/90/76/203369076.db2.gz GASGNCGEZPNBAN-HUUCEWRRSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCC1 ZINC000459789286 203371351 /nfs/dbraw/zinc/37/13/51/203371351.db2.gz GASGNCGEZPNBAN-LSDHHAIUSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459794933 203371435 /nfs/dbraw/zinc/37/14/35/203371435.db2.gz VATXUBBCLSEXJD-CABCVRRESA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459794934 203370587 /nfs/dbraw/zinc/37/05/87/203370587.db2.gz VATXUBBCLSEXJD-GJZGRUSLSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459794935 203369181 /nfs/dbraw/zinc/36/91/81/203369181.db2.gz VATXUBBCLSEXJD-HUUCEWRRSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459794936 203371451 /nfs/dbraw/zinc/37/14/51/203371451.db2.gz VATXUBBCLSEXJD-LSDHHAIUSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@@H+](CCC[NH+]1CCCCC1)CC(C)(C)C ZINC000463371141 388091508 /nfs/dbraw/zinc/09/15/08/388091508.db2.gz YPJUPAJKONKOIS-UHFFFAOYSA-N 2 1 240.435 3.230 20 0 BGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)CC)C1 ZINC000464789805 388103955 /nfs/dbraw/zinc/10/39/55/388103955.db2.gz OWIFAMYOPXWLRQ-AWEZNQCLSA-N 2 1 240.435 3.086 20 0 BGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)CC)C1 ZINC000464789807 388103441 /nfs/dbraw/zinc/10/34/41/388103441.db2.gz OWIFAMYOPXWLRQ-CQSZACIVSA-N 2 1 240.435 3.086 20 0 BGADMP CC(C)([NH3+])C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000469871713 527239839 /nfs/dbraw/zinc/23/98/39/527239839.db2.gz SOAIEKUMBWEJTF-HNNXBMFYSA-N 2 1 246.398 3.341 20 0 BGADMP CC(C)([NH3+])C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000469871714 527240659 /nfs/dbraw/zinc/24/06/59/527240659.db2.gz SOAIEKUMBWEJTF-OAHLLOKOSA-N 2 1 246.398 3.341 20 0 BGADMP CCCC[NH+](C)CC[C@H](C)[N@@H+](C)CCCC ZINC000470958880 541473110 /nfs/dbraw/zinc/47/31/10/541473110.db2.gz FXHIQGBDTAPLKJ-AWEZNQCLSA-N 2 1 228.424 3.229 20 0 BGADMP CCCC[NH+](C)CC[C@H](C)[N@H+](C)CCCC ZINC000470958880 541473104 /nfs/dbraw/zinc/47/31/04/541473104.db2.gz FXHIQGBDTAPLKJ-AWEZNQCLSA-N 2 1 228.424 3.229 20 0 BGADMP CCCC[NH+](C)[C@@H](C)CC[N@H+](C)CCCC ZINC000470958880 541473098 /nfs/dbraw/zinc/47/30/98/541473098.db2.gz FXHIQGBDTAPLKJ-AWEZNQCLSA-N 2 1 228.424 3.229 20 0 BGADMP CCCC[NH+](C)CC[C@@H](C)[N@@H+](C)CCCC ZINC000470958888 541473161 /nfs/dbraw/zinc/47/31/61/541473161.db2.gz FXHIQGBDTAPLKJ-CQSZACIVSA-N 2 1 228.424 3.229 20 0 BGADMP CCCC[NH+](C)CC[C@@H](C)[N@H+](C)CCCC ZINC000470958888 541473158 /nfs/dbraw/zinc/47/31/58/541473158.db2.gz FXHIQGBDTAPLKJ-CQSZACIVSA-N 2 1 228.424 3.229 20 0 BGADMP CCCC[NH+](C)[C@H](C)CC[N@H+](C)CCCC ZINC000470958888 541473154 /nfs/dbraw/zinc/47/31/54/541473154.db2.gz FXHIQGBDTAPLKJ-CQSZACIVSA-N 2 1 228.424 3.229 20 0 BGADMP CC[C@@H](C)C[NH+](CC)CC[C@@H]1CCCC[N@H+]1C ZINC000472573791 529319011 /nfs/dbraw/zinc/31/90/11/529319011.db2.gz JBHPEUSCXMJYTG-CABCVRRESA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@@H](C)C[NH+](CC)CC[C@@H]1CCCC[N@@H+]1C ZINC000472573791 529319010 /nfs/dbraw/zinc/31/90/10/529319010.db2.gz JBHPEUSCXMJYTG-CABCVRRESA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@@H](C)C[N@@H+](CC)CC[C@@H]1CCCC[NH+]1C ZINC000472573791 529319009 /nfs/dbraw/zinc/31/90/09/529319009.db2.gz JBHPEUSCXMJYTG-CABCVRRESA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@H](C)C[NH+](CC)CC[C@@H]1CCCC[N@H+]1C ZINC000472573792 529657228 /nfs/dbraw/zinc/65/72/28/529657228.db2.gz JBHPEUSCXMJYTG-GJZGRUSLSA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@H](C)C[NH+](CC)CC[C@@H]1CCCC[N@@H+]1C ZINC000472573792 529657227 /nfs/dbraw/zinc/65/72/27/529657227.db2.gz JBHPEUSCXMJYTG-GJZGRUSLSA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@H](C)C[N@@H+](CC)CC[C@@H]1CCCC[NH+]1C ZINC000472573792 529657224 /nfs/dbraw/zinc/65/72/24/529657224.db2.gz JBHPEUSCXMJYTG-GJZGRUSLSA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@@H](C)C[NH+](CC)CC[C@H]1CCCC[N@H+]1C ZINC000472573793 529318962 /nfs/dbraw/zinc/31/89/62/529318962.db2.gz JBHPEUSCXMJYTG-HUUCEWRRSA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@@H](C)C[NH+](CC)CC[C@H]1CCCC[N@@H+]1C ZINC000472573793 529318960 /nfs/dbraw/zinc/31/89/60/529318960.db2.gz JBHPEUSCXMJYTG-HUUCEWRRSA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@@H](C)C[N@@H+](CC)CC[C@H]1CCCC[NH+]1C ZINC000472573793 529318958 /nfs/dbraw/zinc/31/89/58/529318958.db2.gz JBHPEUSCXMJYTG-HUUCEWRRSA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@H](C)C[NH+](CC)CC[C@H]1CCCC[N@H+]1C ZINC000472573794 529657306 /nfs/dbraw/zinc/65/73/06/529657306.db2.gz JBHPEUSCXMJYTG-LSDHHAIUSA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@H](C)C[NH+](CC)CC[C@H]1CCCC[N@@H+]1C ZINC000472573794 529657303 /nfs/dbraw/zinc/65/73/03/529657303.db2.gz JBHPEUSCXMJYTG-LSDHHAIUSA-N 2 1 240.435 3.229 20 0 BGADMP CC[C@H](C)C[N@@H+](CC)CC[C@H]1CCCC[NH+]1C ZINC000472573794 529657301 /nfs/dbraw/zinc/65/73/01/529657301.db2.gz JBHPEUSCXMJYTG-LSDHHAIUSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(C)C ZINC000472799781 528103225 /nfs/dbraw/zinc/10/32/25/528103225.db2.gz PCANIBQEASWHAC-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(C)C ZINC000472799781 528103218 /nfs/dbraw/zinc/10/32/18/528103218.db2.gz PCANIBQEASWHAC-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)C ZINC000472799781 528103214 /nfs/dbraw/zinc/10/32/14/528103214.db2.gz PCANIBQEASWHAC-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[NH+](CC[C@H]1CCCC[N@H+]1C)CC(C)C ZINC000472799782 528102535 /nfs/dbraw/zinc/10/25/35/528102535.db2.gz PCANIBQEASWHAC-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(C)C ZINC000472799782 528102531 /nfs/dbraw/zinc/10/25/31/528102531.db2.gz PCANIBQEASWHAC-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(C)C ZINC000472799782 528102528 /nfs/dbraw/zinc/10/25/28/528102528.db2.gz PCANIBQEASWHAC-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000474462148 528267735 /nfs/dbraw/zinc/26/77/35/528267735.db2.gz RDXFMMFBGCDBAV-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)C1CCCCC1 ZINC000474462150 528268569 /nfs/dbraw/zinc/26/85/69/528268569.db2.gz RDXFMMFBGCDBAV-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[N@@H+](CC[NH2+][C@@H](C)C1CCCCC1)C(C)C ZINC000474595885 528513733 /nfs/dbraw/zinc/51/37/33/528513733.db2.gz CDOUSCYSMSFBEK-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[N@H+](CC[NH2+][C@@H](C)C1CCCCC1)C(C)C ZINC000474595885 528513727 /nfs/dbraw/zinc/51/37/27/528513727.db2.gz CDOUSCYSMSFBEK-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[N@@H+](CC[NH2+][C@H](C)C1CCCCC1)C(C)C ZINC000474595887 528516379 /nfs/dbraw/zinc/51/63/79/528516379.db2.gz CDOUSCYSMSFBEK-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC[N@H+](CC[NH2+][C@H](C)C1CCCCC1)C(C)C ZINC000474595887 528516375 /nfs/dbraw/zinc/51/63/75/528516375.db2.gz CDOUSCYSMSFBEK-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000475332088 528267804 /nfs/dbraw/zinc/26/78/04/528267804.db2.gz FXJXDSRUISFNOL-APIJFGDWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000475332089 528267665 /nfs/dbraw/zinc/26/76/65/528267665.db2.gz FXJXDSRUISFNOL-GBJTYRQASA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000475332090 528267829 /nfs/dbraw/zinc/26/78/29/528267829.db2.gz FXJXDSRUISFNOL-KBUPBQIOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000475332091 528268228 /nfs/dbraw/zinc/26/82/28/528268228.db2.gz FXJXDSRUISFNOL-LJISPDSOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000475335877 528267553 /nfs/dbraw/zinc/26/75/53/528267553.db2.gz NGDLIQHFBXQDGF-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000475335878 528267861 /nfs/dbraw/zinc/26/78/61/528267861.db2.gz NGDLIQHFBXQDGF-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CC1CCCC1 ZINC000475342881 528268335 /nfs/dbraw/zinc/26/83/35/528268335.db2.gz MFSKHRORTDHAMK-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CC1CCCC1 ZINC000475342882 528267488 /nfs/dbraw/zinc/26/74/88/528267488.db2.gz MFSKHRORTDHAMK-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000475353060 528267576 /nfs/dbraw/zinc/26/75/76/528267576.db2.gz PPCKOUJEWHWSPH-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000475353062 528267616 /nfs/dbraw/zinc/26/76/16/528267616.db2.gz PPCKOUJEWHWSPH-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000475353063 528268324 /nfs/dbraw/zinc/26/83/24/528268324.db2.gz PPCKOUJEWHWSPH-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000475353066 528268113 /nfs/dbraw/zinc/26/81/13/528268113.db2.gz PPCKOUJEWHWSPH-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCC=C(C)C ZINC000475362270 528268449 /nfs/dbraw/zinc/26/84/49/528268449.db2.gz VENWUKVIRPHSHS-HUUCEWRRSA-N 2 1 240.435 3.441 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCC=C(C)C ZINC000475362271 528268311 /nfs/dbraw/zinc/26/83/11/528268311.db2.gz VENWUKVIRPHSHS-LSDHHAIUSA-N 2 1 240.435 3.441 20 0 BGADMP CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000479482070 529207170 /nfs/dbraw/zinc/20/71/70/529207170.db2.gz WZCWPZWPYPZXTH-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000479482073 529282999 /nfs/dbraw/zinc/28/29/99/529282999.db2.gz WZCWPZWPYPZXTH-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000479482076 529210875 /nfs/dbraw/zinc/21/08/75/529210875.db2.gz WZCWPZWPYPZXTH-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000479482077 529290462 /nfs/dbraw/zinc/29/04/62/529290462.db2.gz WZCWPZWPYPZXTH-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000479489128 528268345 /nfs/dbraw/zinc/26/83/45/528268345.db2.gz LGZVVTQPACGJKF-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000479489129 528266814 /nfs/dbraw/zinc/26/68/14/528266814.db2.gz LGZVVTQPACGJKF-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000479489131 528266611 /nfs/dbraw/zinc/26/66/11/528266611.db2.gz LGZVVTQPACGJKF-MGPQQGTHSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@H](CC)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480666957 528106211 /nfs/dbraw/zinc/10/62/11/528106211.db2.gz QGRHRHPPCAJTCY-CABCVRRESA-N 2 1 240.435 3.419 20 0 BGADMP CCC[C@H](CC)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480666960 528106974 /nfs/dbraw/zinc/10/69/74/528106974.db2.gz QGRHRHPPCAJTCY-GJZGRUSLSA-N 2 1 240.435 3.419 20 0 BGADMP CCC[C@@H](CC)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480666962 528924515 /nfs/dbraw/zinc/92/45/15/528924515.db2.gz QGRHRHPPCAJTCY-HUUCEWRRSA-N 2 1 240.435 3.419 20 0 BGADMP CCC[C@@H](CC)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480666964 528924607 /nfs/dbraw/zinc/92/46/07/528924607.db2.gz QGRHRHPPCAJTCY-LSDHHAIUSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480668839 528764568 /nfs/dbraw/zinc/76/45/68/528764568.db2.gz BASAFIIUVAOCEX-CABCVRRESA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480668840 528894835 /nfs/dbraw/zinc/89/48/35/528894835.db2.gz BASAFIIUVAOCEX-GJZGRUSLSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480668841 528764024 /nfs/dbraw/zinc/76/40/24/528764024.db2.gz BASAFIIUVAOCEX-HUUCEWRRSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480668842 528895198 /nfs/dbraw/zinc/89/51/98/528895198.db2.gz BASAFIIUVAOCEX-LSDHHAIUSA-N 2 1 240.435 3.419 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCC[C@H]1C ZINC000480691523 225206417 /nfs/dbraw/zinc/20/64/17/225206417.db2.gz VXXWUQICCHXEBG-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@H]1C ZINC000480691524 225206019 /nfs/dbraw/zinc/20/60/19/225206019.db2.gz VXXWUQICCHXEBG-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000480691525 225206652 /nfs/dbraw/zinc/20/66/52/225206652.db2.gz VXXWUQICCHXEBG-RRFJBIMHSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCC[C@@H]1C ZINC000480691526 225205572 /nfs/dbraw/zinc/20/55/72/225205572.db2.gz VXXWUQICCHXEBG-ZNMIVQPWSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480697801 528268823 /nfs/dbraw/zinc/26/88/23/528268823.db2.gz LPFJKFNRAUHSGR-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480697802 528476024 /nfs/dbraw/zinc/47/60/24/528476024.db2.gz LPFJKFNRAUHSGR-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480697803 528268107 /nfs/dbraw/zinc/26/81/07/528268107.db2.gz LPFJKFNRAUHSGR-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)C[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480697804 528475636 /nfs/dbraw/zinc/47/56/36/528475636.db2.gz LPFJKFNRAUHSGR-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCCCC1 ZINC000480700937 533823628 /nfs/dbraw/zinc/82/36/28/533823628.db2.gz SCUXVMHOFCRPGY-AWEZNQCLSA-N 2 1 238.419 3.173 20 0 BGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCCCC1 ZINC000480700938 225206156 /nfs/dbraw/zinc/20/61/56/225206156.db2.gz SCUXVMHOFCRPGY-CQSZACIVSA-N 2 1 238.419 3.173 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480701475 529242363 /nfs/dbraw/zinc/24/23/63/529242363.db2.gz UNTYPEKZKLYNQB-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480701476 529207112 /nfs/dbraw/zinc/20/71/12/529207112.db2.gz UNTYPEKZKLYNQB-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480701477 529207250 /nfs/dbraw/zinc/20/72/50/529207250.db2.gz UNTYPEKZKLYNQB-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480701878 529242368 /nfs/dbraw/zinc/24/23/68/529242368.db2.gz UNTYPEKZKLYNQB-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCCC1)C1CC1 ZINC000480705474 529199821 /nfs/dbraw/zinc/19/98/21/529199821.db2.gz HIPGEDSSOCTBPI-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]([NH2+][C@H](C)C[NH+]1CCCCCC1)C1CC1 ZINC000480705477 529664981 /nfs/dbraw/zinc/66/49/81/529664981.db2.gz HIPGEDSSOCTBPI-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]([NH2+][C@H](C)C[NH+]1CCCCCC1)C1CC1 ZINC000480705480 529205487 /nfs/dbraw/zinc/20/54/87/529205487.db2.gz HIPGEDSSOCTBPI-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]([NH2+][C@@H](C)C[NH+]1CCCCCC1)C1CC1 ZINC000480705483 529650256 /nfs/dbraw/zinc/65/02/56/529650256.db2.gz HIPGEDSSOCTBPI-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[C@H](C)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000480721269 528970606 /nfs/dbraw/zinc/97/06/06/528970606.db2.gz LQVQRWPJSMYEDA-DZGCQCFKSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@@H](C)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000480721270 528419529 /nfs/dbraw/zinc/41/95/29/528419529.db2.gz LQVQRWPJSMYEDA-HIFRSBDPSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@@H](C)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000480721271 528419566 /nfs/dbraw/zinc/41/95/66/528419566.db2.gz LQVQRWPJSMYEDA-UKRRQHHQSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@H](C)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000480721272 528970787 /nfs/dbraw/zinc/97/07/87/528970787.db2.gz LQVQRWPJSMYEDA-ZFWWWQNUSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000481029156 528971109 /nfs/dbraw/zinc/97/11/09/528971109.db2.gz ZITGWAVPWZKLQS-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000481029156 528971105 /nfs/dbraw/zinc/97/11/05/528971105.db2.gz ZITGWAVPWZKLQS-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000481029157 528970984 /nfs/dbraw/zinc/97/09/84/528970984.db2.gz ZITGWAVPWZKLQS-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000481029157 528970980 /nfs/dbraw/zinc/97/09/80/528970980.db2.gz ZITGWAVPWZKLQS-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000481029158 528419822 /nfs/dbraw/zinc/41/98/22/528419822.db2.gz ZITGWAVPWZKLQS-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000481029158 528419818 /nfs/dbraw/zinc/41/98/18/528419818.db2.gz ZITGWAVPWZKLQS-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000481029159 528419780 /nfs/dbraw/zinc/41/97/80/528419780.db2.gz ZITGWAVPWZKLQS-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000481029159 528419778 /nfs/dbraw/zinc/41/97/78/528419778.db2.gz ZITGWAVPWZKLQS-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000481302722 528075612 /nfs/dbraw/zinc/07/56/12/528075612.db2.gz FDUWWQWNUOJVSV-AEGPPILISA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000481302723 528070156 /nfs/dbraw/zinc/07/01/56/528070156.db2.gz FDUWWQWNUOJVSV-CFVMTHIKSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000481302725 528069733 /nfs/dbraw/zinc/06/97/33/528069733.db2.gz FDUWWQWNUOJVSV-NWANDNLSSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000481302903 528075375 /nfs/dbraw/zinc/07/53/75/528075375.db2.gz FDUWWQWNUOJVSV-QEJZJMRPSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC000481426718 533392062 /nfs/dbraw/zinc/39/20/62/533392062.db2.gz VDVQRYTXFFNUQU-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC000481426718 533392060 /nfs/dbraw/zinc/39/20/60/533392060.db2.gz VDVQRYTXFFNUQU-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC000481426719 533854100 /nfs/dbraw/zinc/85/41/00/533854100.db2.gz VDVQRYTXFFNUQU-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC000481426719 533854092 /nfs/dbraw/zinc/85/40/92/533854092.db2.gz VDVQRYTXFFNUQU-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP CC[N@@H+](CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(C)C ZINC000482086147 528517982 /nfs/dbraw/zinc/51/79/82/528517982.db2.gz DAMXRBKEYNAREV-FICVDOATSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+](CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(C)C ZINC000482086147 528517975 /nfs/dbraw/zinc/51/79/75/528517975.db2.gz DAMXRBKEYNAREV-FICVDOATSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](CC[NH2+]C1[C@@H](C)CCC[C@@H]1C)C(C)C ZINC000482086148 528509717 /nfs/dbraw/zinc/50/97/17/528509717.db2.gz DAMXRBKEYNAREV-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+](CC[NH2+]C1[C@@H](C)CCC[C@@H]1C)C(C)C ZINC000482086148 528509716 /nfs/dbraw/zinc/50/97/16/528509716.db2.gz DAMXRBKEYNAREV-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](CC[NH2+]C1[C@H](C)CCC[C@H]1C)C(C)C ZINC000482086149 528508370 /nfs/dbraw/zinc/50/83/70/528508370.db2.gz DAMXRBKEYNAREV-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+](CC[NH2+]C1[C@H](C)CCC[C@H]1C)C(C)C ZINC000482086149 528508363 /nfs/dbraw/zinc/50/83/63/528508363.db2.gz DAMXRBKEYNAREV-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000482456409 533901013 /nfs/dbraw/zinc/90/10/13/533901013.db2.gz SGDHRHLYYUNBFD-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000482456411 225225723 /nfs/dbraw/zinc/22/57/23/225225723.db2.gz SGDHRHLYYUNBFD-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CC1 ZINC000482557645 528470616 /nfs/dbraw/zinc/47/06/16/528470616.db2.gz RMLLIWJNIUFGMS-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CC1 ZINC000482557645 528470614 /nfs/dbraw/zinc/47/06/14/528470614.db2.gz RMLLIWJNIUFGMS-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000482557647 528469822 /nfs/dbraw/zinc/46/98/22/528469822.db2.gz RMLLIWJNIUFGMS-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000482557647 528469821 /nfs/dbraw/zinc/46/98/21/528469821.db2.gz RMLLIWJNIUFGMS-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483715553 528076679 /nfs/dbraw/zinc/07/66/79/528076679.db2.gz QLOQZJDEKCPYGS-AJNGGQMLSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000483715553 528076675 /nfs/dbraw/zinc/07/66/75/528076675.db2.gz QLOQZJDEKCPYGS-AJNGGQMLSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483715554 528077388 /nfs/dbraw/zinc/07/73/88/528077388.db2.gz QLOQZJDEKCPYGS-XGUBFFRZSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000483715554 528077384 /nfs/dbraw/zinc/07/73/84/528077384.db2.gz QLOQZJDEKCPYGS-XGUBFFRZSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483715555 528077226 /nfs/dbraw/zinc/07/72/26/528077226.db2.gz QLOQZJDEKCPYGS-XQLPTFJDSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000483715555 528077222 /nfs/dbraw/zinc/07/72/22/528077222.db2.gz QLOQZJDEKCPYGS-XQLPTFJDSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483715556 528076773 /nfs/dbraw/zinc/07/67/73/528076773.db2.gz QLOQZJDEKCPYGS-YJNKXOJESA-N 2 1 240.435 3.274 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000483715556 528076772 /nfs/dbraw/zinc/07/67/72/528076772.db2.gz QLOQZJDEKCPYGS-YJNKXOJESA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[C@@H](C)[N@H+](C)CCC[NH+](C)[C@@H](C)C(C)C ZINC000485175483 528406928 /nfs/dbraw/zinc/40/69/28/528406928.db2.gz UKSMSTUMYYAKLL-GASCZTMLSA-N 2 1 242.451 3.329 20 0 BGADMP CC(C)[C@@H](C)[N@@H+](C)CCC[NH+](C)[C@@H](C)C(C)C ZINC000485175483 528406920 /nfs/dbraw/zinc/40/69/20/528406920.db2.gz UKSMSTUMYYAKLL-GASCZTMLSA-N 2 1 242.451 3.329 20 0 BGADMP CC(C)[C@@H](C)[NH+](C)CCC[N@H+](C)[C@@H](C)C(C)C ZINC000485175483 528406916 /nfs/dbraw/zinc/40/69/16/528406916.db2.gz UKSMSTUMYYAKLL-GASCZTMLSA-N 2 1 242.451 3.329 20 0 BGADMP CC(C)[C@H](C)[NH+](C)CCC[N@H+](C)[C@@H](C)C(C)C ZINC000485175486 528957830 /nfs/dbraw/zinc/95/78/30/528957830.db2.gz UKSMSTUMYYAKLL-GJZGRUSLSA-N 2 1 242.451 3.329 20 0 BGADMP CC(C)[C@@H](C)[NH+](C)CCC[N@H+](C)[C@H](C)C(C)C ZINC000485175487 528407328 /nfs/dbraw/zinc/40/73/28/528407328.db2.gz UKSMSTUMYYAKLL-HUUCEWRRSA-N 2 1 242.451 3.329 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1(C)CCCC1 ZINC000490219341 388236258 /nfs/dbraw/zinc/23/62/58/388236258.db2.gz YBDLDTFLVJZSMQ-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1(C)CCCC1 ZINC000490219341 388236255 /nfs/dbraw/zinc/23/62/55/388236255.db2.gz YBDLDTFLVJZSMQ-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP Cc1nccn1CCCC[N@H+](C)C1(C)CCCC1 ZINC000490219341 388236253 /nfs/dbraw/zinc/23/62/53/388236253.db2.gz YBDLDTFLVJZSMQ-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP CC(C)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000501132149 528090850 /nfs/dbraw/zinc/09/08/50/528090850.db2.gz HJOHXCZOGNRZEM-UHFFFAOYSA-N 2 1 248.414 3.194 20 0 BGADMP CC(C)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000501132149 528090841 /nfs/dbraw/zinc/09/08/41/528090841.db2.gz HJOHXCZOGNRZEM-UHFFFAOYSA-N 2 1 248.414 3.194 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](CC)C(C)C ZINC000502059922 529282318 /nfs/dbraw/zinc/28/23/18/529282318.db2.gz ZKFAOGBAXMJSCG-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+](CC)C(C)C ZINC000502059922 529282316 /nfs/dbraw/zinc/28/23/16/529282316.db2.gz ZKFAOGBAXMJSCG-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](CC)C(C)C ZINC000502059924 529207039 /nfs/dbraw/zinc/20/70/39/529207039.db2.gz ZKFAOGBAXMJSCG-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@H+](CC)C(C)C ZINC000502059924 529207036 /nfs/dbraw/zinc/20/70/36/529207036.db2.gz ZKFAOGBAXMJSCG-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+](CC)C(C)C ZINC000502059925 529289884 /nfs/dbraw/zinc/28/98/84/529289884.db2.gz ZKFAOGBAXMJSCG-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+](CC)C(C)C ZINC000502059925 529289880 /nfs/dbraw/zinc/28/98/80/529289880.db2.gz ZKFAOGBAXMJSCG-HUUCEWRRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]1CCCC[C@H]1[NH2+]CC[N@@H+](CC)C(C)C ZINC000502059927 529210849 /nfs/dbraw/zinc/21/08/49/529210849.db2.gz ZKFAOGBAXMJSCG-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]1CCCC[C@H]1[NH2+]CC[N@H+](CC)C(C)C ZINC000502059927 529210847 /nfs/dbraw/zinc/21/08/47/529210847.db2.gz ZKFAOGBAXMJSCG-LSDHHAIUSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[NH+](CCCC)CC[C@@H]1CCC[N@H+]1C ZINC000502702681 528404078 /nfs/dbraw/zinc/40/40/78/528404078.db2.gz QLSHZCMTXWSKPE-HNNXBMFYSA-N 2 1 240.435 3.373 20 0 BGADMP CCCC[NH+](CCCC)CC[C@H]1CCC[N@H+]1C ZINC000502702682 528404262 /nfs/dbraw/zinc/40/42/62/528404262.db2.gz QLSHZCMTXWSKPE-OAHLLOKOSA-N 2 1 240.435 3.373 20 0 BGADMP CCC(CC)C[NH+](CC)CC[C@@H]1CCC[N@H+]1C ZINC000502706292 528742932 /nfs/dbraw/zinc/74/29/32/528742932.db2.gz NGXQCRRZRDUCCW-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[NH+](CC)CC[C@@H]1CCC[N@@H+]1C ZINC000502706292 528742930 /nfs/dbraw/zinc/74/29/30/528742930.db2.gz NGXQCRRZRDUCCW-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[N@@H+](CC)CC[C@@H]1CCC[NH+]1C ZINC000502706292 528742924 /nfs/dbraw/zinc/74/29/24/528742924.db2.gz NGXQCRRZRDUCCW-HNNXBMFYSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[NH+](CC)CC[C@H]1CCC[N@H+]1C ZINC000502706293 528742570 /nfs/dbraw/zinc/74/25/70/528742570.db2.gz NGXQCRRZRDUCCW-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[NH+](CC)CC[C@H]1CCC[N@@H+]1C ZINC000502706293 528742565 /nfs/dbraw/zinc/74/25/65/528742565.db2.gz NGXQCRRZRDUCCW-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(CC)C[N@@H+](CC)CC[C@H]1CCC[NH+]1C ZINC000502706293 528742557 /nfs/dbraw/zinc/74/25/57/528742557.db2.gz NGXQCRRZRDUCCW-OAHLLOKOSA-N 2 1 240.435 3.229 20 0 BGADMP CC(C)[C@H](C[NH2+][C@@H](C)C(C)(C)C)[NH+]1CCCC1 ZINC000505620682 529014324 /nfs/dbraw/zinc/01/43/24/529014324.db2.gz HHTKQEFLWMFIEY-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@H](C[NH2+][C@H](C)C(C)(C)C)[NH+]1CCCC1 ZINC000505620683 529016204 /nfs/dbraw/zinc/01/62/04/529016204.db2.gz HHTKQEFLWMFIEY-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@@H](C[NH2+][C@@H](C)C(C)(C)C)[NH+]1CCCC1 ZINC000505620684 528463143 /nfs/dbraw/zinc/46/31/43/528463143.db2.gz HHTKQEFLWMFIEY-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[C@@H](C[NH2+][C@H](C)C(C)(C)C)[NH+]1CCCC1 ZINC000505620685 528465526 /nfs/dbraw/zinc/46/55/26/528465526.db2.gz HHTKQEFLWMFIEY-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C(C)(C)C ZINC000505625686 533360972 /nfs/dbraw/zinc/36/09/72/533360972.db2.gz MAZSNBKROKCAQQ-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C(C)(C)C ZINC000505625688 533834268 /nfs/dbraw/zinc/83/42/68/533834268.db2.gz MAZSNBKROKCAQQ-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)C(C)(C)C)[NH+](C)C ZINC000505626602 528822806 /nfs/dbraw/zinc/82/28/06/528822806.db2.gz VBUWKSZIAJTQPC-GXTWGEPZSA-N 2 1 242.451 3.377 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)C(C)(C)C)[NH+](C)C ZINC000505626603 528855567 /nfs/dbraw/zinc/85/55/67/528855567.db2.gz VBUWKSZIAJTQPC-JSGCOSHPSA-N 2 1 242.451 3.377 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@H](C)C(C)(C)C)[NH+](C)C ZINC000505626604 528855829 /nfs/dbraw/zinc/85/58/29/528855829.db2.gz VBUWKSZIAJTQPC-OCCSQVGLSA-N 2 1 242.451 3.377 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)C(C)(C)C)[NH+](C)C ZINC000505626605 528822494 /nfs/dbraw/zinc/82/24/94/528822494.db2.gz VBUWKSZIAJTQPC-TZMCWYRMSA-N 2 1 242.451 3.377 20 0 BGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC(C)C ZINC000507134331 528779671 /nfs/dbraw/zinc/77/96/71/528779671.db2.gz LMODKSFVXMTYLX-UHFFFAOYSA-N 2 1 248.414 3.226 20 0 BGADMP CCCC[NH+](C)CC(C)C[N@H+](C)CCCC ZINC000510244718 528335339 /nfs/dbraw/zinc/33/53/39/528335339.db2.gz QOKPJROTOLPQBR-UHFFFAOYSA-N 2 1 228.424 3.086 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000513045330 528235076 /nfs/dbraw/zinc/23/50/76/528235076.db2.gz DGUOHBWCRFVANJ-HNNXBMFYSA-N 2 1 238.419 3.173 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000513045330 528235069 /nfs/dbraw/zinc/23/50/69/528235069.db2.gz DGUOHBWCRFVANJ-HNNXBMFYSA-N 2 1 238.419 3.173 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000513105848 528236451 /nfs/dbraw/zinc/23/64/51/528236451.db2.gz CHJMAXQYLGTGCG-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000513105848 528236449 /nfs/dbraw/zinc/23/64/49/528236449.db2.gz CHJMAXQYLGTGCG-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000513105849 528236560 /nfs/dbraw/zinc/23/65/60/528236560.db2.gz CHJMAXQYLGTGCG-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000513105849 528236553 /nfs/dbraw/zinc/23/65/53/528236553.db2.gz CHJMAXQYLGTGCG-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000513105850 528236060 /nfs/dbraw/zinc/23/60/60/528236060.db2.gz CHJMAXQYLGTGCG-KKUMJFAQSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000513105850 528236052 /nfs/dbraw/zinc/23/60/52/528236052.db2.gz CHJMAXQYLGTGCG-KKUMJFAQSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000513105851 528236529 /nfs/dbraw/zinc/23/65/29/528236529.db2.gz CHJMAXQYLGTGCG-ZNMIVQPWSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000513105851 528236528 /nfs/dbraw/zinc/23/65/28/528236528.db2.gz CHJMAXQYLGTGCG-ZNMIVQPWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](CC)C1CCCCC1 ZINC000513971938 388479507 /nfs/dbraw/zinc/47/95/07/388479507.db2.gz SZQWJEXSRGTMHS-UHFFFAOYSA-N 2 1 240.435 3.373 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000514235998 387274834 /nfs/dbraw/zinc/27/48/34/387274834.db2.gz MAXYXDRPCLPGJD-AWEZNQCLSA-N 2 1 240.435 3.086 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000514235999 387274882 /nfs/dbraw/zinc/27/48/82/387274882.db2.gz MAXYXDRPCLPGJD-CQSZACIVSA-N 2 1 240.435 3.086 20 0 BGADMP CC[C@@H](C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000514758704 387286277 /nfs/dbraw/zinc/28/62/77/387286277.db2.gz QIGXOFFQLISTDW-HNNXBMFYSA-N 2 1 248.414 3.064 20 0 BGADMP CC[C@H](C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000514758705 387285905 /nfs/dbraw/zinc/28/59/05/387285905.db2.gz QIGXOFFQLISTDW-OAHLLOKOSA-N 2 1 248.414 3.064 20 0 BGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000514825160 387289834 /nfs/dbraw/zinc/28/98/34/387289834.db2.gz WYMLHVVEPWJXKL-SECBINFHSA-N 2 1 246.807 3.052 20 0 BGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000514825161 387289410 /nfs/dbraw/zinc/28/94/10/387289410.db2.gz WYMLHVVEPWJXKL-VIFPVBQESA-N 2 1 246.807 3.052 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000516517041 387518534 /nfs/dbraw/zinc/51/85/34/387518534.db2.gz MFJMCBDRWQBBFV-HZSPNIEDSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000516517041 387518532 /nfs/dbraw/zinc/51/85/32/387518532.db2.gz MFJMCBDRWQBBFV-HZSPNIEDSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000516517043 387519145 /nfs/dbraw/zinc/51/91/45/387519145.db2.gz MFJMCBDRWQBBFV-IHRRRGAJSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000516517043 387519139 /nfs/dbraw/zinc/51/91/39/387519139.db2.gz MFJMCBDRWQBBFV-IHRRRGAJSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000516517044 387517906 /nfs/dbraw/zinc/51/79/06/387517906.db2.gz MFJMCBDRWQBBFV-MELADBBJSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000516517044 387517901 /nfs/dbraw/zinc/51/79/01/387517901.db2.gz MFJMCBDRWQBBFV-MELADBBJSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000516517045 387519306 /nfs/dbraw/zinc/51/93/06/387519306.db2.gz MFJMCBDRWQBBFV-RDBSUJKOSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000516517045 387519301 /nfs/dbraw/zinc/51/93/01/387519301.db2.gz MFJMCBDRWQBBFV-RDBSUJKOSA-N 2 1 240.435 3.129 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C(C)C)C1CC1 ZINC000516605968 388386095 /nfs/dbraw/zinc/38/60/95/388386095.db2.gz ZOTBDUIYDBJCEC-DZGCQCFKSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C(C)C)C1CC1 ZINC000516605968 388386093 /nfs/dbraw/zinc/38/60/93/388386093.db2.gz ZOTBDUIYDBJCEC-DZGCQCFKSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C(C)C)C1CC1 ZINC000516605969 388385966 /nfs/dbraw/zinc/38/59/66/388385966.db2.gz ZOTBDUIYDBJCEC-ZFWWWQNUSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C(C)C)C1CC1 ZINC000516605969 388385964 /nfs/dbraw/zinc/38/59/64/388385964.db2.gz ZOTBDUIYDBJCEC-ZFWWWQNUSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000516639803 388512153 /nfs/dbraw/zinc/51/21/53/388512153.db2.gz UZOXWEOCQRITRI-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000516639803 388512149 /nfs/dbraw/zinc/51/21/49/388512149.db2.gz UZOXWEOCQRITRI-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000516639804 388512479 /nfs/dbraw/zinc/51/24/79/388512479.db2.gz UZOXWEOCQRITRI-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000516639804 388512476 /nfs/dbraw/zinc/51/24/76/388512476.db2.gz UZOXWEOCQRITRI-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000517054162 388535744 /nfs/dbraw/zinc/53/57/44/388535744.db2.gz UZOXWEOCQRITRI-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000517054162 388535742 /nfs/dbraw/zinc/53/57/42/388535742.db2.gz UZOXWEOCQRITRI-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000517054163 388536430 /nfs/dbraw/zinc/53/64/30/388536430.db2.gz UZOXWEOCQRITRI-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000517054163 388536427 /nfs/dbraw/zinc/53/64/27/388536427.db2.gz UZOXWEOCQRITRI-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000517061165 388535658 /nfs/dbraw/zinc/53/56/58/388535658.db2.gz VBQUGPKPNFJWSL-SHARSMKWSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000517061165 388535654 /nfs/dbraw/zinc/53/56/54/388535654.db2.gz VBQUGPKPNFJWSL-SHARSMKWSA-N 2 1 240.435 3.275 20 0 BGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2(C)CC2)c1 ZINC000517066349 388537057 /nfs/dbraw/zinc/53/70/57/388537057.db2.gz RUKJRJWRLRNFML-UHFFFAOYSA-N 2 1 246.398 3.028 20 0 BGADMP Cc1cccc2c1cc[nH+]c2N[C@@H](C)C[C@@H](C)[NH3+] ZINC000517145567 388539549 /nfs/dbraw/zinc/53/95/49/388539549.db2.gz NPYGLLMMWSRRQM-NEPJUHHUSA-N 2 1 243.354 3.081 20 0 BGADMP Cc1cccc2c1cc[nH+]c2N[C@H](C)C[C@H](C)[NH3+] ZINC000517145579 388539494 /nfs/dbraw/zinc/53/94/94/388539494.db2.gz NPYGLLMMWSRRQM-NWDGAFQWSA-N 2 1 243.354 3.081 20 0 BGADMP Cc1cccc2c1cc[nH+]c2N[C@@H](C)C[C@H](C)[NH3+] ZINC000517145580 388539939 /nfs/dbraw/zinc/53/99/39/388539939.db2.gz NPYGLLMMWSRRQM-RYUDHWBXSA-N 2 1 243.354 3.081 20 0 BGADMP Cc1cccc2c1cc[nH+]c2N[C@H](C)C[C@@H](C)[NH3+] ZINC000517145581 256816970 /nfs/dbraw/zinc/81/69/70/256816970.db2.gz NPYGLLMMWSRRQM-VXGBXAGGSA-N 2 1 243.354 3.081 20 0 BGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)C ZINC000517547490 388553104 /nfs/dbraw/zinc/55/31/04/388553104.db2.gz VEAYDFQEDXAJPJ-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)C ZINC000517547490 388553103 /nfs/dbraw/zinc/55/31/03/388553103.db2.gz VEAYDFQEDXAJPJ-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)C ZINC000517547491 388553444 /nfs/dbraw/zinc/55/34/44/388553444.db2.gz VEAYDFQEDXAJPJ-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)C ZINC000517547491 388553441 /nfs/dbraw/zinc/55/34/41/388553441.db2.gz VEAYDFQEDXAJPJ-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000518623561 256582683 /nfs/dbraw/zinc/58/26/83/256582683.db2.gz NHYRCRMKJBYWHT-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000518623561 256582682 /nfs/dbraw/zinc/58/26/82/256582682.db2.gz NHYRCRMKJBYWHT-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000518623563 384099770 /nfs/dbraw/zinc/09/97/70/384099770.db2.gz NHYRCRMKJBYWHT-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000518623563 384099766 /nfs/dbraw/zinc/09/97/66/384099766.db2.gz NHYRCRMKJBYWHT-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000518623564 384098348 /nfs/dbraw/zinc/09/83/48/384098348.db2.gz NHYRCRMKJBYWHT-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000518623564 384098335 /nfs/dbraw/zinc/09/83/35/384098335.db2.gz NHYRCRMKJBYWHT-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000518623566 384100408 /nfs/dbraw/zinc/10/04/08/384100408.db2.gz NHYRCRMKJBYWHT-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000518623566 384100402 /nfs/dbraw/zinc/10/04/02/384100402.db2.gz NHYRCRMKJBYWHT-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@H](CC)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000518770381 259365871 /nfs/dbraw/zinc/36/58/71/259365871.db2.gz RIEJFQFOLRQNAC-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[C@@H](CC)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000518770382 259365945 /nfs/dbraw/zinc/36/59/45/259365945.db2.gz RIEJFQFOLRQNAC-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000519468669 398305110 /nfs/dbraw/zinc/30/51/10/398305110.db2.gz VBQUGPKPNFJWSL-SLTAFYQDSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000519468669 398305109 /nfs/dbraw/zinc/30/51/09/398305109.db2.gz VBQUGPKPNFJWSL-SLTAFYQDSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000521944863 388669154 /nfs/dbraw/zinc/66/91/54/388669154.db2.gz SRUHFUUABKDODE-MELADBBJSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000521944863 388669151 /nfs/dbraw/zinc/66/91/51/388669151.db2.gz SRUHFUUABKDODE-MELADBBJSA-N 2 1 240.435 3.129 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000522029272 388675679 /nfs/dbraw/zinc/67/56/79/388675679.db2.gz NJRZAGSXKMQJAX-GJZGRUSLSA-N 2 1 238.419 3.053 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000522029272 388675677 /nfs/dbraw/zinc/67/56/77/388675677.db2.gz NJRZAGSXKMQJAX-GJZGRUSLSA-N 2 1 238.419 3.053 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000522029273 388675878 /nfs/dbraw/zinc/67/58/78/388675878.db2.gz NJRZAGSXKMQJAX-LSDHHAIUSA-N 2 1 238.419 3.053 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000522029273 388675876 /nfs/dbraw/zinc/67/58/76/388675876.db2.gz NJRZAGSXKMQJAX-LSDHHAIUSA-N 2 1 238.419 3.053 20 0 BGADMP CC(C)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524156236 388348322 /nfs/dbraw/zinc/34/83/22/388348322.db2.gz XUGOGDFFEALRJO-UHFFFAOYSA-N 2 1 240.435 3.085 20 0 BGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCC(C)(C)C ZINC000524755738 388407830 /nfs/dbraw/zinc/40/78/30/388407830.db2.gz SQLROKPAZHZVRV-AWEZNQCLSA-N 2 1 240.435 3.229 20 0 BGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCC(C)(C)C ZINC000524755738 388407828 /nfs/dbraw/zinc/40/78/28/388407828.db2.gz SQLROKPAZHZVRV-AWEZNQCLSA-N 2 1 240.435 3.229 20 0 BGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCC(C)(C)C ZINC000524755738 388407826 /nfs/dbraw/zinc/40/78/26/388407826.db2.gz SQLROKPAZHZVRV-AWEZNQCLSA-N 2 1 240.435 3.229 20 0 BGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CCC(C)(C)C ZINC000524755739 388407906 /nfs/dbraw/zinc/40/79/06/388407906.db2.gz SQLROKPAZHZVRV-CQSZACIVSA-N 2 1 240.435 3.229 20 0 BGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCC(C)(C)C ZINC000524755739 388407904 /nfs/dbraw/zinc/40/79/04/388407904.db2.gz SQLROKPAZHZVRV-CQSZACIVSA-N 2 1 240.435 3.229 20 0 BGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCC(C)(C)C ZINC000524755739 388407902 /nfs/dbraw/zinc/40/79/02/388407902.db2.gz SQLROKPAZHZVRV-CQSZACIVSA-N 2 1 240.435 3.229 20 0 BGADMP CC(C)CCC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000527361103 386421824 /nfs/dbraw/zinc/42/18/24/386421824.db2.gz BCVRANXAVFQLHM-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)CCC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000527361103 386421818 /nfs/dbraw/zinc/42/18/18/386421818.db2.gz BCVRANXAVFQLHM-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)CCC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000527361104 262776729 /nfs/dbraw/zinc/77/67/29/262776729.db2.gz BCVRANXAVFQLHM-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000527361104 262776728 /nfs/dbraw/zinc/77/67/28/262776728.db2.gz BCVRANXAVFQLHM-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](C[N@@H+](C)CCn1ccnc1)C1CCCCC1 ZINC000528775469 388570902 /nfs/dbraw/zinc/57/09/02/388570902.db2.gz XHTNFCSSGKOJDH-AWEZNQCLSA-N 2 1 249.402 3.031 20 0 BGADMP C[C@H](C[N@@H+](C)CCn1ccnc1)C1CCCCC1 ZINC000528775471 388571896 /nfs/dbraw/zinc/57/18/96/388571896.db2.gz XHTNFCSSGKOJDH-CQSZACIVSA-N 2 1 249.402 3.031 20 0 BGADMP CC(C)[N@H+]1CCCC[C@H]1Cn1ccnc1C1CC1 ZINC000530128809 388613184 /nfs/dbraw/zinc/61/31/84/388613184.db2.gz BGZLYJXBBCLBQE-AWEZNQCLSA-N 2 1 247.386 3.023 20 0 BGADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1ccnc1C1CC1 ZINC000530128812 388613108 /nfs/dbraw/zinc/61/31/08/388613108.db2.gz BGZLYJXBBCLBQE-CQSZACIVSA-N 2 1 247.386 3.023 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCCC1(C)C ZINC000530278897 324572958 /nfs/dbraw/zinc/57/29/58/324572958.db2.gz WYPNCYDVCTZEOI-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000530278898 324572836 /nfs/dbraw/zinc/57/28/36/324572836.db2.gz WYPNCYDVCTZEOI-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C[NH2+][C@H]1CCC[C@H]1CC)[NH+]1CCCC1 ZINC000531685703 323111015 /nfs/dbraw/zinc/11/10/15/323111015.db2.gz POVKXHTWSBELNN-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C[NH2+][C@H]1CCC[C@H]1CC)[NH+]1CCCC1 ZINC000531685704 323111032 /nfs/dbraw/zinc/11/10/32/323111032.db2.gz POVKXHTWSBELNN-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C[NH2+][C@@H]1CCC[C@H]1CC)[NH+]1CCCC1 ZINC000531685705 323111044 /nfs/dbraw/zinc/11/10/44/323111044.db2.gz POVKXHTWSBELNN-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1CC)[NH+]1CCCC1 ZINC000531685706 323111066 /nfs/dbraw/zinc/11/10/66/323111066.db2.gz POVKXHTWSBELNN-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](CC[NH2+][C@@H](C)CCC=C(C)C)C(C)C ZINC000531708390 323111898 /nfs/dbraw/zinc/11/18/98/323111898.db2.gz JJXMCCMSBIKXFO-HNNXBMFYSA-N 2 1 240.435 3.441 20 0 BGADMP CC[N@H+](CC[NH2+][C@@H](C)CCC=C(C)C)C(C)C ZINC000531708390 323111897 /nfs/dbraw/zinc/11/18/97/323111897.db2.gz JJXMCCMSBIKXFO-HNNXBMFYSA-N 2 1 240.435 3.441 20 0 BGADMP CC[N@@H+](CC[NH2+][C@H](C)CCC=C(C)C)C(C)C ZINC000531708392 323111912 /nfs/dbraw/zinc/11/19/12/323111912.db2.gz JJXMCCMSBIKXFO-OAHLLOKOSA-N 2 1 240.435 3.441 20 0 BGADMP CC[N@H+](CC[NH2+][C@H](C)CCC=C(C)C)C(C)C ZINC000531708392 323111911 /nfs/dbraw/zinc/11/19/11/323111911.db2.gz JJXMCCMSBIKXFO-OAHLLOKOSA-N 2 1 240.435 3.441 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531724850 323111379 /nfs/dbraw/zinc/11/13/79/323111379.db2.gz GYKMBDYWYONGQE-KKUMJFAQSA-N 2 1 238.419 3.194 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531724850 323111378 /nfs/dbraw/zinc/11/13/78/323111378.db2.gz GYKMBDYWYONGQE-KKUMJFAQSA-N 2 1 238.419 3.194 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531724851 323111444 /nfs/dbraw/zinc/11/14/44/323111444.db2.gz GYKMBDYWYONGQE-RRFJBIMHSA-N 2 1 238.419 3.194 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531724851 323111443 /nfs/dbraw/zinc/11/14/43/323111443.db2.gz GYKMBDYWYONGQE-RRFJBIMHSA-N 2 1 238.419 3.194 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531724852 323111423 /nfs/dbraw/zinc/11/14/23/323111423.db2.gz GYKMBDYWYONGQE-SOUVJXGZSA-N 2 1 238.419 3.194 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531724852 323111422 /nfs/dbraw/zinc/11/14/22/323111422.db2.gz GYKMBDYWYONGQE-SOUVJXGZSA-N 2 1 238.419 3.194 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531724853 323111398 /nfs/dbraw/zinc/11/13/98/323111398.db2.gz GYKMBDYWYONGQE-ZNMIVQPWSA-N 2 1 238.419 3.194 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531724853 323111397 /nfs/dbraw/zinc/11/13/97/323111397.db2.gz GYKMBDYWYONGQE-ZNMIVQPWSA-N 2 1 238.419 3.194 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000531737556 323112280 /nfs/dbraw/zinc/11/22/80/323112280.db2.gz DRTAKQNOFAMMPH-HNNXBMFYSA-N 2 1 240.435 3.443 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000531737556 323112279 /nfs/dbraw/zinc/11/22/79/323112279.db2.gz DRTAKQNOFAMMPH-HNNXBMFYSA-N 2 1 240.435 3.443 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)CCC=C(C)C ZINC000531737557 323112174 /nfs/dbraw/zinc/11/21/74/323112174.db2.gz DRTAKQNOFAMMPH-OAHLLOKOSA-N 2 1 240.435 3.443 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@H](C)CCC=C(C)C ZINC000531737557 323112173 /nfs/dbraw/zinc/11/21/73/323112173.db2.gz DRTAKQNOFAMMPH-OAHLLOKOSA-N 2 1 240.435 3.443 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000531936198 323155288 /nfs/dbraw/zinc/15/52/88/323155288.db2.gz APHZHINNBBBGOW-AJNGGQMLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000531936198 323155287 /nfs/dbraw/zinc/15/52/87/323155287.db2.gz APHZHINNBBBGOW-AJNGGQMLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000531936199 323155231 /nfs/dbraw/zinc/15/52/31/323155231.db2.gz APHZHINNBBBGOW-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000531936199 323155230 /nfs/dbraw/zinc/15/52/30/323155230.db2.gz APHZHINNBBBGOW-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000531936200 323155302 /nfs/dbraw/zinc/15/53/02/323155302.db2.gz APHZHINNBBBGOW-QPSCCSFWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000531936200 323155301 /nfs/dbraw/zinc/15/53/01/323155301.db2.gz APHZHINNBBBGOW-QPSCCSFWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000531936201 323155268 /nfs/dbraw/zinc/15/52/68/323155268.db2.gz APHZHINNBBBGOW-XQLPTFJDSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000531936201 323155267 /nfs/dbraw/zinc/15/52/67/323155267.db2.gz APHZHINNBBBGOW-XQLPTFJDSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C(C)C ZINC000531948665 323156262 /nfs/dbraw/zinc/15/62/62/323156262.db2.gz YAIYVDJSPZIJKD-HNNXBMFYSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C(C)C ZINC000531948665 323156261 /nfs/dbraw/zinc/15/62/61/323156261.db2.gz YAIYVDJSPZIJKD-HNNXBMFYSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C(C)C ZINC000531948666 323156226 /nfs/dbraw/zinc/15/62/26/323156226.db2.gz YAIYVDJSPZIJKD-OAHLLOKOSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C(C)C ZINC000531948666 323156225 /nfs/dbraw/zinc/15/62/25/323156225.db2.gz YAIYVDJSPZIJKD-OAHLLOKOSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531957309 323157722 /nfs/dbraw/zinc/15/77/22/323157722.db2.gz BTZRVRODJYXZAR-HZSPNIEDSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531957312 323157765 /nfs/dbraw/zinc/15/77/65/323157765.db2.gz BTZRVRODJYXZAR-MJBXVCDLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000532197428 323208664 /nfs/dbraw/zinc/20/86/64/323208664.db2.gz TWDXEBBFLMNDOT-CABCVRRESA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000532197429 323209062 /nfs/dbraw/zinc/20/90/62/323209062.db2.gz TWDXEBBFLMNDOT-GJZGRUSLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000532197430 323208801 /nfs/dbraw/zinc/20/88/01/323208801.db2.gz TWDXEBBFLMNDOT-HUUCEWRRSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000532197431 323208914 /nfs/dbraw/zinc/20/89/14/323208914.db2.gz TWDXEBBFLMNDOT-LSDHHAIUSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000532200053 323209005 /nfs/dbraw/zinc/20/90/05/323209005.db2.gz BIBBAGQZGBLHNH-HNNXBMFYSA-N 2 1 240.435 3.441 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000532200054 323208966 /nfs/dbraw/zinc/20/89/66/323208966.db2.gz BIBBAGQZGBLHNH-OAHLLOKOSA-N 2 1 240.435 3.441 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000532209325 323209709 /nfs/dbraw/zinc/20/97/09/323209709.db2.gz SZUDJPFCIXLEEB-AJNGGQMLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000532209325 323209706 /nfs/dbraw/zinc/20/97/06/323209706.db2.gz SZUDJPFCIXLEEB-AJNGGQMLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000532209326 323209771 /nfs/dbraw/zinc/20/97/71/323209771.db2.gz SZUDJPFCIXLEEB-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000532209326 323209769 /nfs/dbraw/zinc/20/97/69/323209769.db2.gz SZUDJPFCIXLEEB-BARDWOONSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000532209327 323209912 /nfs/dbraw/zinc/20/99/12/323209912.db2.gz SZUDJPFCIXLEEB-QPSCCSFWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000532209327 323209910 /nfs/dbraw/zinc/20/99/10/323209910.db2.gz SZUDJPFCIXLEEB-QPSCCSFWSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000532209328 323209765 /nfs/dbraw/zinc/20/97/65/323209765.db2.gz SZUDJPFCIXLEEB-XQLPTFJDSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000532209328 323209763 /nfs/dbraw/zinc/20/97/63/323209763.db2.gz SZUDJPFCIXLEEB-XQLPTFJDSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000532441001 323265053 /nfs/dbraw/zinc/26/50/53/323265053.db2.gz MOKGASHJFOYTHR-AWEZNQCLSA-N 2 1 238.419 3.195 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000532441002 323264981 /nfs/dbraw/zinc/26/49/81/323264981.db2.gz MOKGASHJFOYTHR-CQSZACIVSA-N 2 1 238.419 3.195 20 0 BGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCC=C(C)C)C1 ZINC000532473596 323267416 /nfs/dbraw/zinc/26/74/16/323267416.db2.gz WAYGOPGGCCHJQY-CABCVRRESA-N 2 1 238.419 3.053 20 0 BGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000532473597 323267345 /nfs/dbraw/zinc/26/73/45/323267345.db2.gz WAYGOPGGCCHJQY-GJZGRUSLSA-N 2 1 238.419 3.053 20 0 BGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCC=C(C)C)C1 ZINC000532473598 323267610 /nfs/dbraw/zinc/26/76/10/323267610.db2.gz WAYGOPGGCCHJQY-HUUCEWRRSA-N 2 1 238.419 3.053 20 0 BGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000532473599 323267241 /nfs/dbraw/zinc/26/72/41/323267241.db2.gz WAYGOPGGCCHJQY-LSDHHAIUSA-N 2 1 238.419 3.053 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000532476198 323270140 /nfs/dbraw/zinc/27/01/40/323270140.db2.gz LDXUFQIUASEUKC-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000532476198 323270134 /nfs/dbraw/zinc/27/01/34/323270134.db2.gz LDXUFQIUASEUKC-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[C@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000532476199 323269903 /nfs/dbraw/zinc/26/99/03/323269903.db2.gz LDXUFQIUASEUKC-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[C@H](C)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000532476199 323269901 /nfs/dbraw/zinc/26/99/01/323269901.db2.gz LDXUFQIUASEUKC-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000532476200 323270274 /nfs/dbraw/zinc/27/02/74/323270274.db2.gz LDXUFQIUASEUKC-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000532476200 323270269 /nfs/dbraw/zinc/27/02/69/323270269.db2.gz LDXUFQIUASEUKC-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000532476201 323269984 /nfs/dbraw/zinc/26/99/84/323269984.db2.gz LDXUFQIUASEUKC-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[C@@H](C)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000532476201 323269982 /nfs/dbraw/zinc/26/99/82/323269982.db2.gz LDXUFQIUASEUKC-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000532484879 487603308 /nfs/dbraw/zinc/60/33/08/487603308.db2.gz DRJXOZFCVLMJTB-CABCVRRESA-N 2 1 240.435 3.441 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000532484880 487603263 /nfs/dbraw/zinc/60/32/63/487603263.db2.gz DRJXOZFCVLMJTB-GJZGRUSLSA-N 2 1 240.435 3.441 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000532484881 487603225 /nfs/dbraw/zinc/60/32/25/487603225.db2.gz DRJXOZFCVLMJTB-HUUCEWRRSA-N 2 1 240.435 3.441 20 0 BGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000532484882 487602964 /nfs/dbraw/zinc/60/29/64/487602964.db2.gz DRJXOZFCVLMJTB-LSDHHAIUSA-N 2 1 240.435 3.441 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCC=C(C)C ZINC000532498204 323270210 /nfs/dbraw/zinc/27/02/10/323270210.db2.gz KHBVNWGHMWVBBQ-CABCVRRESA-N 2 1 240.435 3.441 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCC=C(C)C ZINC000532498204 323270206 /nfs/dbraw/zinc/27/02/06/323270206.db2.gz KHBVNWGHMWVBBQ-CABCVRRESA-N 2 1 240.435 3.441 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000532498205 323270068 /nfs/dbraw/zinc/27/00/68/323270068.db2.gz KHBVNWGHMWVBBQ-GJZGRUSLSA-N 2 1 240.435 3.441 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000532498205 323270064 /nfs/dbraw/zinc/27/00/64/323270064.db2.gz KHBVNWGHMWVBBQ-GJZGRUSLSA-N 2 1 240.435 3.441 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCC=C(C)C ZINC000532498206 323270000 /nfs/dbraw/zinc/27/00/00/323270000.db2.gz KHBVNWGHMWVBBQ-HUUCEWRRSA-N 2 1 240.435 3.441 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCC=C(C)C ZINC000532498206 323269996 /nfs/dbraw/zinc/26/99/96/323269996.db2.gz KHBVNWGHMWVBBQ-HUUCEWRRSA-N 2 1 240.435 3.441 20 0 BGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000532498207 323269961 /nfs/dbraw/zinc/26/99/61/323269961.db2.gz KHBVNWGHMWVBBQ-LSDHHAIUSA-N 2 1 240.435 3.441 20 0 BGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000532498207 323269956 /nfs/dbraw/zinc/26/99/56/323269956.db2.gz KHBVNWGHMWVBBQ-LSDHHAIUSA-N 2 1 240.435 3.441 20 0 BGADMP CC(C)C[NH+](C)CCCCC[N@H+](C)CC(C)C ZINC000532503040 323271903 /nfs/dbraw/zinc/27/19/03/323271903.db2.gz ARQUPPZYEIIXBE-UHFFFAOYSA-N 2 1 242.451 3.332 20 0 BGADMP CC[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000532506998 323272598 /nfs/dbraw/zinc/27/25/98/323272598.db2.gz IECNSOFHXHMGGY-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000532506998 323272596 /nfs/dbraw/zinc/27/25/96/323272596.db2.gz IECNSOFHXHMGGY-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000532506999 323272267 /nfs/dbraw/zinc/27/22/67/323272267.db2.gz IECNSOFHXHMGGY-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000532506999 323272266 /nfs/dbraw/zinc/27/22/66/323272266.db2.gz IECNSOFHXHMGGY-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000532507000 323272592 /nfs/dbraw/zinc/27/25/92/323272592.db2.gz IECNSOFHXHMGGY-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000532507000 323272590 /nfs/dbraw/zinc/27/25/90/323272590.db2.gz IECNSOFHXHMGGY-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000532507001 323272636 /nfs/dbraw/zinc/27/26/36/323272636.db2.gz IECNSOFHXHMGGY-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000532507001 323272633 /nfs/dbraw/zinc/27/26/33/323272633.db2.gz IECNSOFHXHMGGY-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCCCC[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000535458177 323173228 /nfs/dbraw/zinc/17/32/28/323173228.db2.gz CNFJJRONIQABIK-HNNXBMFYSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCC[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000535458177 323173227 /nfs/dbraw/zinc/17/32/27/323173227.db2.gz CNFJJRONIQABIK-HNNXBMFYSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCC[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)C ZINC000535458177 323173226 /nfs/dbraw/zinc/17/32/26/323173226.db2.gz CNFJJRONIQABIK-HNNXBMFYSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCC[NH+](CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000535458195 323173280 /nfs/dbraw/zinc/17/32/80/323173280.db2.gz CNFJJRONIQABIK-OAHLLOKOSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCC[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000535458195 323173279 /nfs/dbraw/zinc/17/32/79/323173279.db2.gz CNFJJRONIQABIK-OAHLLOKOSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCC[N@@H+](CC[C@H]1CCC[NH+]1C)C(C)C ZINC000535458195 323173278 /nfs/dbraw/zinc/17/32/78/323173278.db2.gz CNFJJRONIQABIK-OAHLLOKOSA-N 2 1 240.435 3.371 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@@H+](CC1CC1)C(C)C ZINC000535764263 323190662 /nfs/dbraw/zinc/19/06/62/323190662.db2.gz KJOJXYJKHNHYOZ-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP Cc1[nH+]ccn1CCCC[N@H+](CC1CC1)C(C)C ZINC000535764263 323190661 /nfs/dbraw/zinc/19/06/61/323190661.db2.gz KJOJXYJKHNHYOZ-UHFFFAOYSA-N 2 1 249.402 3.092 20 0 BGADMP CCC(CC)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000535765616 323190641 /nfs/dbraw/zinc/19/06/41/323190641.db2.gz QSJWQPPAYUAAIN-AWEZNQCLSA-N 2 1 238.419 3.124 20 0 BGADMP CCC(CC)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000535765616 323190640 /nfs/dbraw/zinc/19/06/40/323190640.db2.gz QSJWQPPAYUAAIN-AWEZNQCLSA-N 2 1 238.419 3.124 20 0 BGADMP CCC(CC)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000535765616 323190639 /nfs/dbraw/zinc/19/06/39/323190639.db2.gz QSJWQPPAYUAAIN-AWEZNQCLSA-N 2 1 238.419 3.124 20 0 BGADMP CCC(CC)[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000535765623 323190623 /nfs/dbraw/zinc/19/06/23/323190623.db2.gz QSJWQPPAYUAAIN-CQSZACIVSA-N 2 1 238.419 3.124 20 0 BGADMP CCC(CC)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000535765623 323190622 /nfs/dbraw/zinc/19/06/22/323190622.db2.gz QSJWQPPAYUAAIN-CQSZACIVSA-N 2 1 238.419 3.124 20 0 BGADMP CCC(CC)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000535765623 323190621 /nfs/dbraw/zinc/19/06/21/323190621.db2.gz QSJWQPPAYUAAIN-CQSZACIVSA-N 2 1 238.419 3.124 20 0 BGADMP CCC(CC)C[N@@H+](CC)CCC[NH+]1CCCC1 ZINC000536321404 384302904 /nfs/dbraw/zinc/30/29/04/384302904.db2.gz RYSORXJJHTZIQS-UHFFFAOYSA-N 2 1 240.435 3.230 20 0 BGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C(C)C ZINC000536838806 387523112 /nfs/dbraw/zinc/52/31/12/387523112.db2.gz LIIZICQBNGWUGF-CABCVRRESA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C(C)C ZINC000536838806 387523106 /nfs/dbraw/zinc/52/31/06/387523106.db2.gz LIIZICQBNGWUGF-CABCVRRESA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C(C)C ZINC000536838816 387523400 /nfs/dbraw/zinc/52/34/00/387523400.db2.gz LIIZICQBNGWUGF-GJZGRUSLSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C(C)C ZINC000536838816 387523395 /nfs/dbraw/zinc/52/33/95/387523395.db2.gz LIIZICQBNGWUGF-GJZGRUSLSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C(C)C ZINC000536838817 387522868 /nfs/dbraw/zinc/52/28/68/387522868.db2.gz LIIZICQBNGWUGF-HUUCEWRRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C(C)C ZINC000536838817 387522865 /nfs/dbraw/zinc/52/28/65/387522865.db2.gz LIIZICQBNGWUGF-HUUCEWRRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C(C)C ZINC000536838819 387522500 /nfs/dbraw/zinc/52/25/00/387522500.db2.gz LIIZICQBNGWUGF-LSDHHAIUSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C(C)C ZINC000536838819 387522497 /nfs/dbraw/zinc/52/24/97/387522497.db2.gz LIIZICQBNGWUGF-LSDHHAIUSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[C@H](CC)CC[NH2+]C1CC[NH+](C)CC1 ZINC000538851608 388734502 /nfs/dbraw/zinc/73/45/02/388734502.db2.gz VCCKEEBJBXXVNM-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[C@@H](CC)CC[NH2+]C1CC[NH+](C)CC1 ZINC000538851609 388734310 /nfs/dbraw/zinc/73/43/10/388734310.db2.gz VCCKEEBJBXXVNM-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP CCC[C@H](C)[C@@H](CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000539507664 388762974 /nfs/dbraw/zinc/76/29/74/388762974.db2.gz PBZNBQULSGEXCN-DZGCQCFKSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[C@@H](C)[C@H](CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000539507680 388763676 /nfs/dbraw/zinc/76/36/76/388763676.db2.gz PBZNBQULSGEXCN-HIFRSBDPSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[C@@H](C)[C@@H](CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000539507681 388763174 /nfs/dbraw/zinc/76/31/74/388763174.db2.gz PBZNBQULSGEXCN-UKRRQHHQSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[C@H](C)[C@H](CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000539507682 388763090 /nfs/dbraw/zinc/76/30/90/388763090.db2.gz PBZNBQULSGEXCN-ZFWWWQNUSA-N 2 1 238.419 3.053 20 0 BGADMP CCC(CC)[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000539882914 388787001 /nfs/dbraw/zinc/78/70/01/388787001.db2.gz ZANJAXBIECLDAI-UHFFFAOYSA-N 2 1 249.402 3.235 20 0 BGADMP CCC(CC)[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000539882914 388786997 /nfs/dbraw/zinc/78/69/97/388786997.db2.gz ZANJAXBIECLDAI-UHFFFAOYSA-N 2 1 249.402 3.235 20 0 BGADMP CC[C@H](C)C[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000540069851 324884647 /nfs/dbraw/zinc/88/46/47/324884647.db2.gz YQWVEKGXAOJSFJ-DZGCQCFKSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)C[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000540069864 388794465 /nfs/dbraw/zinc/79/44/65/388794465.db2.gz YQWVEKGXAOJSFJ-HIFRSBDPSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C)C[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000540069865 388794991 /nfs/dbraw/zinc/79/49/91/388794991.db2.gz YQWVEKGXAOJSFJ-UKRRQHHQSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C)C[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000540069866 388795063 /nfs/dbraw/zinc/79/50/63/388795063.db2.gz YQWVEKGXAOJSFJ-ZFWWWQNUSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000540481797 388808723 /nfs/dbraw/zinc/80/87/23/388808723.db2.gz ARLZQRMNQFGDLR-KKUMJFAQSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000540481797 388808719 /nfs/dbraw/zinc/80/87/19/388808719.db2.gz ARLZQRMNQFGDLR-KKUMJFAQSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000540481797 388808716 /nfs/dbraw/zinc/80/87/16/388808716.db2.gz ARLZQRMNQFGDLR-KKUMJFAQSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000540481798 388809049 /nfs/dbraw/zinc/80/90/49/388809049.db2.gz ARLZQRMNQFGDLR-RRFJBIMHSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000540481798 388809045 /nfs/dbraw/zinc/80/90/45/388809045.db2.gz ARLZQRMNQFGDLR-RRFJBIMHSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000540481798 388809040 /nfs/dbraw/zinc/80/90/40/388809040.db2.gz ARLZQRMNQFGDLR-RRFJBIMHSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000540481799 388808574 /nfs/dbraw/zinc/80/85/74/388808574.db2.gz ARLZQRMNQFGDLR-SOUVJXGZSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000540481799 388808570 /nfs/dbraw/zinc/80/85/70/388808570.db2.gz ARLZQRMNQFGDLR-SOUVJXGZSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000540481799 388808566 /nfs/dbraw/zinc/80/85/66/388808566.db2.gz ARLZQRMNQFGDLR-SOUVJXGZSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000540481800 388807936 /nfs/dbraw/zinc/80/79/36/388807936.db2.gz ARLZQRMNQFGDLR-ZNMIVQPWSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000540481800 388807930 /nfs/dbraw/zinc/80/79/30/388807930.db2.gz ARLZQRMNQFGDLR-ZNMIVQPWSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000540481800 388807925 /nfs/dbraw/zinc/80/79/25/388807925.db2.gz ARLZQRMNQFGDLR-ZNMIVQPWSA-N 2 1 240.435 3.227 20 0 BGADMP CCC(CC)(CC)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000542935751 325064500 /nfs/dbraw/zinc/06/45/00/325064500.db2.gz UTQPVXYCDQYIPJ-AWEZNQCLSA-N 2 1 240.435 3.086 20 0 BGADMP CCC(CC)(CC)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000542935758 325064443 /nfs/dbraw/zinc/06/44/43/325064443.db2.gz UTQPVXYCDQYIPJ-CQSZACIVSA-N 2 1 240.435 3.086 20 0 BGADMP CC[C@H]1CCCCC[N@H+]1CCC[NH+](CC)CC ZINC000549137136 388573064 /nfs/dbraw/zinc/57/30/64/388573064.db2.gz LJIXXGCZFPNNFV-HNNXBMFYSA-N 2 1 240.435 3.373 20 0 BGADMP CC[C@@H]1CCCCC[N@H+]1CCC[NH+](CC)CC ZINC000549137137 388573658 /nfs/dbraw/zinc/57/36/58/388573658.db2.gz LJIXXGCZFPNNFV-OAHLLOKOSA-N 2 1 240.435 3.373 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C(C)C)C1 ZINC000549166860 388574979 /nfs/dbraw/zinc/57/49/79/388574979.db2.gz SBPHEMVOEXUDLD-HNNXBMFYSA-N 2 1 240.435 3.086 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000549166861 388574143 /nfs/dbraw/zinc/57/41/43/388574143.db2.gz SBPHEMVOEXUDLD-OAHLLOKOSA-N 2 1 240.435 3.086 20 0 BGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000551212101 388623695 /nfs/dbraw/zinc/62/36/95/388623695.db2.gz RYFFGUJMJYHDSX-AJNGGQMLSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000551212101 388623693 /nfs/dbraw/zinc/62/36/93/388623693.db2.gz RYFFGUJMJYHDSX-AJNGGQMLSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000551212102 388624022 /nfs/dbraw/zinc/62/40/22/388624022.db2.gz RYFFGUJMJYHDSX-KBUPBQIOSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000551212102 388624021 /nfs/dbraw/zinc/62/40/21/388624021.db2.gz RYFFGUJMJYHDSX-KBUPBQIOSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000551212103 388623464 /nfs/dbraw/zinc/62/34/64/388623464.db2.gz RYFFGUJMJYHDSX-TUVASFSCSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000551212103 388623460 /nfs/dbraw/zinc/62/34/60/388623460.db2.gz RYFFGUJMJYHDSX-TUVASFSCSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000551212104 388623768 /nfs/dbraw/zinc/62/37/68/388623768.db2.gz RYFFGUJMJYHDSX-ZQDZILKHSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000551212104 388623766 /nfs/dbraw/zinc/62/37/66/388623766.db2.gz RYFFGUJMJYHDSX-ZQDZILKHSA-N 2 1 238.419 3.028 20 0 BGADMP C[N@@H+](CC[NH2+][C@H]1CCC1(C)C)C1CCCCC1 ZINC000551533339 388632234 /nfs/dbraw/zinc/63/22/34/388632234.db2.gz LVQCSSVHUCLHGJ-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+](CC[NH2+][C@H]1CCC1(C)C)C1CCCCC1 ZINC000551533339 388632232 /nfs/dbraw/zinc/63/22/32/388632232.db2.gz LVQCSSVHUCLHGJ-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@@H+](CC[NH2+][C@@H]1CCC1(C)C)C1CCCCC1 ZINC000551533340 388632449 /nfs/dbraw/zinc/63/24/49/388632449.db2.gz LVQCSSVHUCLHGJ-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+](CC[NH2+][C@@H]1CCC1(C)C)C1CCCCC1 ZINC000551533340 388632447 /nfs/dbraw/zinc/63/24/47/388632447.db2.gz LVQCSSVHUCLHGJ-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CCC1CC([NH2+]CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC000551789229 388641323 /nfs/dbraw/zinc/64/13/23/388641323.db2.gz MLURPDTXRNGZIW-NRXISQOPSA-N 2 1 238.419 3.029 20 0 BGADMP CCC1CC([NH2+]CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC000551789229 388641321 /nfs/dbraw/zinc/64/13/21/388641321.db2.gz MLURPDTXRNGZIW-NRXISQOPSA-N 2 1 238.419 3.029 20 0 BGADMP CCC1CC([NH2+]CC[N@H+]2CCCC[C@H]2CC)C1 ZINC000551789318 388641233 /nfs/dbraw/zinc/64/12/33/388641233.db2.gz MLURPDTXRNGZIW-YMAMQOFZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC1CC([NH2+]CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC000551789318 388641232 /nfs/dbraw/zinc/64/12/32/388641232.db2.gz MLURPDTXRNGZIW-YMAMQOFZSA-N 2 1 238.419 3.029 20 0 BGADMP CC1(C)CCC[NH+]1CCC[N@@H+]1CCCC1(C)C ZINC000551902044 388646086 /nfs/dbraw/zinc/64/60/86/388646086.db2.gz UAXAXLUSIOZSQJ-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000552052138 388664368 /nfs/dbraw/zinc/66/43/68/388664368.db2.gz TUXZWBMZHQRAAS-CABCVRRESA-N 2 1 238.419 3.195 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000552052138 388664364 /nfs/dbraw/zinc/66/43/64/388664364.db2.gz TUXZWBMZHQRAAS-CABCVRRESA-N 2 1 238.419 3.195 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000552052139 388663906 /nfs/dbraw/zinc/66/39/06/388663906.db2.gz TUXZWBMZHQRAAS-GJZGRUSLSA-N 2 1 238.419 3.195 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000552052139 388663905 /nfs/dbraw/zinc/66/39/05/388663905.db2.gz TUXZWBMZHQRAAS-GJZGRUSLSA-N 2 1 238.419 3.195 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000552052141 388664360 /nfs/dbraw/zinc/66/43/60/388664360.db2.gz TUXZWBMZHQRAAS-HUUCEWRRSA-N 2 1 238.419 3.195 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000552052141 388664358 /nfs/dbraw/zinc/66/43/58/388664358.db2.gz TUXZWBMZHQRAAS-HUUCEWRRSA-N 2 1 238.419 3.195 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000552052142 388664077 /nfs/dbraw/zinc/66/40/77/388664077.db2.gz TUXZWBMZHQRAAS-LSDHHAIUSA-N 2 1 238.419 3.195 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000552052142 388664074 /nfs/dbraw/zinc/66/40/74/388664074.db2.gz TUXZWBMZHQRAAS-LSDHHAIUSA-N 2 1 238.419 3.195 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1CC ZINC000552098104 388669996 /nfs/dbraw/zinc/66/99/96/388669996.db2.gz UUICCVBPACBBMD-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1CC ZINC000552098104 388669994 /nfs/dbraw/zinc/66/99/94/388669994.db2.gz UUICCVBPACBBMD-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1CC ZINC000552098105 388669416 /nfs/dbraw/zinc/66/94/16/388669416.db2.gz UUICCVBPACBBMD-KKUMJFAQSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1CC ZINC000552098105 388669414 /nfs/dbraw/zinc/66/94/14/388669414.db2.gz UUICCVBPACBBMD-KKUMJFAQSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1CC ZINC000552098106 388669330 /nfs/dbraw/zinc/66/93/30/388669330.db2.gz UUICCVBPACBBMD-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1CC ZINC000552098106 388669327 /nfs/dbraw/zinc/66/93/27/388669327.db2.gz UUICCVBPACBBMD-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000552098107 388670038 /nfs/dbraw/zinc/67/00/38/388670038.db2.gz UUICCVBPACBBMD-SOUVJXGZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000552098107 388670037 /nfs/dbraw/zinc/67/00/37/388670037.db2.gz UUICCVBPACBBMD-SOUVJXGZSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)C[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000552281195 388689798 /nfs/dbraw/zinc/68/97/98/388689798.db2.gz LKQYWYJZMKSYLC-CABCVRRESA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)C[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000552281195 388689797 /nfs/dbraw/zinc/68/97/97/388689797.db2.gz LKQYWYJZMKSYLC-CABCVRRESA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)C[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000552281195 388689795 /nfs/dbraw/zinc/68/97/95/388689795.db2.gz LKQYWYJZMKSYLC-CABCVRRESA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)C[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000552281196 388689639 /nfs/dbraw/zinc/68/96/39/388689639.db2.gz LKQYWYJZMKSYLC-GJZGRUSLSA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)C[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000552281196 388689636 /nfs/dbraw/zinc/68/96/36/388689636.db2.gz LKQYWYJZMKSYLC-GJZGRUSLSA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)C[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000552281196 388689633 /nfs/dbraw/zinc/68/96/33/388689633.db2.gz LKQYWYJZMKSYLC-GJZGRUSLSA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)C[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000552281197 388689079 /nfs/dbraw/zinc/68/90/79/388689079.db2.gz LKQYWYJZMKSYLC-HUUCEWRRSA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)C[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000552281197 388689076 /nfs/dbraw/zinc/68/90/76/388689076.db2.gz LKQYWYJZMKSYLC-HUUCEWRRSA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)C[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000552281197 388689074 /nfs/dbraw/zinc/68/90/74/388689074.db2.gz LKQYWYJZMKSYLC-HUUCEWRRSA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)C[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000552281198 388689614 /nfs/dbraw/zinc/68/96/14/388689614.db2.gz LKQYWYJZMKSYLC-LSDHHAIUSA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)C[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000552281198 388689611 /nfs/dbraw/zinc/68/96/11/388689611.db2.gz LKQYWYJZMKSYLC-LSDHHAIUSA-N 2 1 240.435 3.227 20 0 BGADMP CC(C)C[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000552281198 388689608 /nfs/dbraw/zinc/68/96/08/388689608.db2.gz LKQYWYJZMKSYLC-LSDHHAIUSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC(C)C ZINC000552335255 388694332 /nfs/dbraw/zinc/69/43/32/388694332.db2.gz MRRMBUYENCNEBT-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC(C)C ZINC000552335255 388694331 /nfs/dbraw/zinc/69/43/31/388694331.db2.gz MRRMBUYENCNEBT-CABCVRRESA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC(C)C ZINC000552335256 388694581 /nfs/dbraw/zinc/69/45/81/388694581.db2.gz MRRMBUYENCNEBT-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC(C)C ZINC000552335256 388694580 /nfs/dbraw/zinc/69/45/80/388694580.db2.gz MRRMBUYENCNEBT-GJZGRUSLSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1C ZINC000552340333 388695216 /nfs/dbraw/zinc/69/52/16/388695216.db2.gz RZAGGZODZLGNHB-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1C ZINC000552340333 388695214 /nfs/dbraw/zinc/69/52/14/388695214.db2.gz RZAGGZODZLGNHB-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000552340334 388695567 /nfs/dbraw/zinc/69/55/67/388695567.db2.gz RZAGGZODZLGNHB-KKUMJFAQSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000552340334 388695564 /nfs/dbraw/zinc/69/55/64/388695564.db2.gz RZAGGZODZLGNHB-KKUMJFAQSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000552340335 388694374 /nfs/dbraw/zinc/69/43/74/388694374.db2.gz RZAGGZODZLGNHB-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000552340335 388694371 /nfs/dbraw/zinc/69/43/71/388694371.db2.gz RZAGGZODZLGNHB-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000552340336 388693899 /nfs/dbraw/zinc/69/38/99/388693899.db2.gz RZAGGZODZLGNHB-SOUVJXGZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000552340336 388693896 /nfs/dbraw/zinc/69/38/96/388693896.db2.gz RZAGGZODZLGNHB-SOUVJXGZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C[NH2+]C1CCC(C)CC1)[NH+]1CCCC1 ZINC000553259797 388757940 /nfs/dbraw/zinc/75/79/40/388757940.db2.gz ISJINRFDGHRSLX-NRXISQOPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C[NH2+]C1CCC(C)CC1)[NH+]1CCCC1 ZINC000553259798 388758163 /nfs/dbraw/zinc/75/81/63/388758163.db2.gz ISJINRFDGHRSLX-YMAMQOFZSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCCCCC1 ZINC000553849728 388790629 /nfs/dbraw/zinc/79/06/29/388790629.db2.gz AICYRIIPQOAGEF-UHFFFAOYSA-N 2 1 249.402 3.284 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000554050881 388798252 /nfs/dbraw/zinc/79/82/52/388798252.db2.gz WRAFUYDIBHCODR-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000554050882 388797549 /nfs/dbraw/zinc/79/75/49/388797549.db2.gz WRAFUYDIBHCODR-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000554050883 388798114 /nfs/dbraw/zinc/79/81/14/388798114.db2.gz WRAFUYDIBHCODR-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000554050884 388797972 /nfs/dbraw/zinc/79/79/72/388797972.db2.gz WRAFUYDIBHCODR-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000554069594 325704793 /nfs/dbraw/zinc/70/47/93/325704793.db2.gz RWYXLLYJHZNQGX-BFHYXJOUSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000554069595 325704681 /nfs/dbraw/zinc/70/46/81/325704681.db2.gz RWYXLLYJHZNQGX-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000554069598 388797820 /nfs/dbraw/zinc/79/78/20/388797820.db2.gz RWYXLLYJHZNQGX-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000554069599 325704703 /nfs/dbraw/zinc/70/47/03/325704703.db2.gz RWYXLLYJHZNQGX-MJBXVCDLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H]1CC[C@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000554348266 388810931 /nfs/dbraw/zinc/81/09/31/388810931.db2.gz HJBLVNLZCIYEBF-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CC[C@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000554348266 388810928 /nfs/dbraw/zinc/81/09/28/388810928.db2.gz HJBLVNLZCIYEBF-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000554348267 388810943 /nfs/dbraw/zinc/81/09/43/388810943.db2.gz HJBLVNLZCIYEBF-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000554348267 388810939 /nfs/dbraw/zinc/81/09/39/388810939.db2.gz HJBLVNLZCIYEBF-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000554348268 388810437 /nfs/dbraw/zinc/81/04/37/388810437.db2.gz HJBLVNLZCIYEBF-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000554348268 388810432 /nfs/dbraw/zinc/81/04/32/388810432.db2.gz HJBLVNLZCIYEBF-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000554348269 388810684 /nfs/dbraw/zinc/81/06/84/388810684.db2.gz HJBLVNLZCIYEBF-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CC[C@@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000554348269 388810682 /nfs/dbraw/zinc/81/06/82/388810682.db2.gz HJBLVNLZCIYEBF-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000554360713 388812284 /nfs/dbraw/zinc/81/22/84/388812284.db2.gz KENXQSVCBUGTJX-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000554360713 388812281 /nfs/dbraw/zinc/81/22/81/388812281.db2.gz KENXQSVCBUGTJX-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000554360714 388812171 /nfs/dbraw/zinc/81/21/71/388812171.db2.gz KENXQSVCBUGTJX-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000554360714 388812170 /nfs/dbraw/zinc/81/21/70/388812170.db2.gz KENXQSVCBUGTJX-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000554360715 388811731 /nfs/dbraw/zinc/81/17/31/388811731.db2.gz KENXQSVCBUGTJX-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000554360715 388811728 /nfs/dbraw/zinc/81/17/28/388811728.db2.gz KENXQSVCBUGTJX-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000554360716 388811657 /nfs/dbraw/zinc/81/16/57/388811657.db2.gz KENXQSVCBUGTJX-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000554360716 388811656 /nfs/dbraw/zinc/81/16/56/388811656.db2.gz KENXQSVCBUGTJX-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000554741753 388828278 /nfs/dbraw/zinc/82/82/78/388828278.db2.gz NHYRCRMKJBYWHT-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000554741753 388828272 /nfs/dbraw/zinc/82/82/72/388828272.db2.gz NHYRCRMKJBYWHT-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000554741754 388828841 /nfs/dbraw/zinc/82/88/41/388828841.db2.gz NHYRCRMKJBYWHT-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000554741754 388828838 /nfs/dbraw/zinc/82/88/38/388828838.db2.gz NHYRCRMKJBYWHT-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000554741755 388828316 /nfs/dbraw/zinc/82/83/16/388828316.db2.gz NHYRCRMKJBYWHT-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000554741755 388828315 /nfs/dbraw/zinc/82/83/15/388828315.db2.gz NHYRCRMKJBYWHT-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000554741756 388828801 /nfs/dbraw/zinc/82/88/01/388828801.db2.gz NHYRCRMKJBYWHT-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000554741756 388828798 /nfs/dbraw/zinc/82/87/98/388828798.db2.gz NHYRCRMKJBYWHT-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)[N@@H+](CCC[NH+](CC)CC)C1CC1 ZINC000554806831 388830834 /nfs/dbraw/zinc/83/08/34/388830834.db2.gz BZOGRUOGYCOINQ-UHFFFAOYSA-N 2 1 240.435 3.371 20 0 BGADMP CCC[C@H]1CCCC[N@H+]1CCC[NH+](CC)CC ZINC000554812399 388831044 /nfs/dbraw/zinc/83/10/44/388831044.db2.gz WGICLTODTOLBJR-HNNXBMFYSA-N 2 1 240.435 3.373 20 0 BGADMP CCC[C@@H]1CCCC[N@H+]1CCC[NH+](CC)CC ZINC000554812403 388831177 /nfs/dbraw/zinc/83/11/77/388831177.db2.gz WGICLTODTOLBJR-OAHLLOKOSA-N 2 1 240.435 3.373 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000554820850 388832556 /nfs/dbraw/zinc/83/25/56/388832556.db2.gz QIWMVVRCUNLREY-HNNXBMFYSA-N 2 1 240.435 3.086 20 0 BGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CC(C)C)C1 ZINC000554820855 388833884 /nfs/dbraw/zinc/83/38/84/388833884.db2.gz QIWMVVRCUNLREY-OAHLLOKOSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@H](C)C[N@@H+](CC)CCC[NH+]1CCCC1 ZINC000554884165 388834808 /nfs/dbraw/zinc/83/48/08/388834808.db2.gz KZXIDYPAYAWLQX-HNNXBMFYSA-N 2 1 240.435 3.230 20 0 BGADMP CCC[C@@H](C)C[N@@H+](CC)CCC[NH+]1CCCC1 ZINC000554884166 388834819 /nfs/dbraw/zinc/83/48/19/388834819.db2.gz KZXIDYPAYAWLQX-OAHLLOKOSA-N 2 1 240.435 3.230 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000554980445 388837340 /nfs/dbraw/zinc/83/73/40/388837340.db2.gz BLCMDXQMNBPVSG-GJZGRUSLSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000554980445 388837337 /nfs/dbraw/zinc/83/73/37/388837337.db2.gz BLCMDXQMNBPVSG-GJZGRUSLSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000554980446 388837192 /nfs/dbraw/zinc/83/71/92/388837192.db2.gz BLCMDXQMNBPVSG-LSDHHAIUSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000554980446 388837190 /nfs/dbraw/zinc/83/71/90/388837190.db2.gz BLCMDXQMNBPVSG-LSDHHAIUSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000554991334 388837379 /nfs/dbraw/zinc/83/73/79/388837379.db2.gz KHYUDTBHZIACHW-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000554991334 388837377 /nfs/dbraw/zinc/83/73/77/388837377.db2.gz KHYUDTBHZIACHW-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000554991335 388837387 /nfs/dbraw/zinc/83/73/87/388837387.db2.gz KHYUDTBHZIACHW-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000554991335 388837385 /nfs/dbraw/zinc/83/73/85/388837385.db2.gz KHYUDTBHZIACHW-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000554991336 388837320 /nfs/dbraw/zinc/83/73/20/388837320.db2.gz KHYUDTBHZIACHW-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000554991336 388837319 /nfs/dbraw/zinc/83/73/19/388837319.db2.gz KHYUDTBHZIACHW-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000554991337 388837333 /nfs/dbraw/zinc/83/73/33/388837333.db2.gz KHYUDTBHZIACHW-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000554991337 388837328 /nfs/dbraw/zinc/83/73/28/388837328.db2.gz KHYUDTBHZIACHW-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC000554991650 388837257 /nfs/dbraw/zinc/83/72/57/388837257.db2.gz ONNIOLAXTDNZGZ-KBPBESRZSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC000554991650 388837253 /nfs/dbraw/zinc/83/72/53/388837253.db2.gz ONNIOLAXTDNZGZ-KBPBESRZSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC000554991651 388837363 /nfs/dbraw/zinc/83/73/63/388837363.db2.gz ONNIOLAXTDNZGZ-KGLIPLIRSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC000554991651 388837360 /nfs/dbraw/zinc/83/73/60/388837360.db2.gz ONNIOLAXTDNZGZ-KGLIPLIRSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000555002293 384876726 /nfs/dbraw/zinc/87/67/26/384876726.db2.gz ABHPKRWFRDHDDN-ILXRZTDVSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000555002293 384876716 /nfs/dbraw/zinc/87/67/16/384876716.db2.gz ABHPKRWFRDHDDN-ILXRZTDVSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000555002294 384874966 /nfs/dbraw/zinc/87/49/66/384874966.db2.gz ABHPKRWFRDHDDN-QLFBSQMISA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000555002294 384874960 /nfs/dbraw/zinc/87/49/60/384874960.db2.gz ABHPKRWFRDHDDN-QLFBSQMISA-N 2 1 240.435 3.274 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000555005066 397987377 /nfs/dbraw/zinc/98/73/77/397987377.db2.gz GBPJGAHGNPBQRV-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000555005066 397987375 /nfs/dbraw/zinc/98/73/75/397987375.db2.gz GBPJGAHGNPBQRV-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000555005068 397987424 /nfs/dbraw/zinc/98/74/24/397987424.db2.gz GBPJGAHGNPBQRV-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000555005068 397987423 /nfs/dbraw/zinc/98/74/23/397987423.db2.gz GBPJGAHGNPBQRV-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP C[N@@H+](CCC[NH2+]CC1(C)CC1)C1CCCCC1 ZINC000555526160 388851730 /nfs/dbraw/zinc/85/17/30/388851730.db2.gz GWLBOWCWSWHHHV-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000556203058 325784487 /nfs/dbraw/zinc/78/44/87/325784487.db2.gz ZREGGLFGWZJKMV-HDJSIYSDSA-N 2 1 238.419 3.029 20 0 BGADMP CC1=CC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000556234204 384991499 /nfs/dbraw/zinc/99/14/99/384991499.db2.gz WBBAYGOSBZCLKP-HNNXBMFYSA-N 2 1 238.419 3.194 20 0 BGADMP CC1=CC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000556234205 384991940 /nfs/dbraw/zinc/99/19/40/384991940.db2.gz WBBAYGOSBZCLKP-OAHLLOKOSA-N 2 1 238.419 3.194 20 0 BGADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000556588647 384432966 /nfs/dbraw/zinc/43/29/66/384432966.db2.gz DYYZNYBFDRGEAC-GXTWGEPZSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000556588648 384433561 /nfs/dbraw/zinc/43/35/61/384433561.db2.gz DYYZNYBFDRGEAC-JSGCOSHPSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000556588649 384433574 /nfs/dbraw/zinc/43/35/74/384433574.db2.gz DYYZNYBFDRGEAC-OCCSQVGLSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000556588650 322916627 /nfs/dbraw/zinc/91/66/27/322916627.db2.gz DYYZNYBFDRGEAC-TZMCWYRMSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@@H](C[NH2+]C1CC(CC)C1)[NH+](C)C ZINC000556590995 487711909 /nfs/dbraw/zinc/71/19/09/487711909.db2.gz DALVGSYKQDUOPR-PESDSKBTSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+]C1CC(CC)C1)[NH+](C)C ZINC000556590996 487712303 /nfs/dbraw/zinc/71/23/03/487712303.db2.gz DALVGSYKQDUOPR-ZALBZXLWSA-N 2 1 240.435 3.131 20 0 BGADMP CCC1CC([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000556592945 384430967 /nfs/dbraw/zinc/43/09/67/384430967.db2.gz QFHQZSOXLOSOEX-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000556878248 384583235 /nfs/dbraw/zinc/58/32/35/384583235.db2.gz LCOQDMVEJGDBGZ-GJZGRUSLSA-N 2 1 238.419 3.195 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000556878248 384583227 /nfs/dbraw/zinc/58/32/27/384583227.db2.gz LCOQDMVEJGDBGZ-GJZGRUSLSA-N 2 1 238.419 3.195 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000556878264 384584149 /nfs/dbraw/zinc/58/41/49/384584149.db2.gz LCOQDMVEJGDBGZ-LSDHHAIUSA-N 2 1 238.419 3.195 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000556878264 384584144 /nfs/dbraw/zinc/58/41/44/384584144.db2.gz LCOQDMVEJGDBGZ-LSDHHAIUSA-N 2 1 238.419 3.195 20 0 BGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000557082984 384801291 /nfs/dbraw/zinc/80/12/91/384801291.db2.gz AEWPSYKCCFCVLC-CABCVRRESA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000557082995 384799602 /nfs/dbraw/zinc/79/96/02/384799602.db2.gz AEWPSYKCCFCVLC-GJZGRUSLSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000557082996 384800171 /nfs/dbraw/zinc/80/01/71/384800171.db2.gz AEWPSYKCCFCVLC-HUUCEWRRSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000557082997 384801500 /nfs/dbraw/zinc/80/15/00/384801500.db2.gz AEWPSYKCCFCVLC-LSDHHAIUSA-N 2 1 240.435 3.085 20 0 BGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000557342318 384915848 /nfs/dbraw/zinc/91/58/48/384915848.db2.gz ZFEBAPZXBLLQNM-ZNMIVQPWSA-N 2 1 246.398 3.094 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000558159972 383823360 /nfs/dbraw/zinc/82/33/60/383823360.db2.gz UZODJXBOLLQMJI-AJNGGQMLSA-N 2 1 240.435 3.274 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000558159972 383823353 /nfs/dbraw/zinc/82/33/53/383823353.db2.gz UZODJXBOLLQMJI-AJNGGQMLSA-N 2 1 240.435 3.274 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000558159978 383822967 /nfs/dbraw/zinc/82/29/67/383822967.db2.gz UZODJXBOLLQMJI-LJISPDSOSA-N 2 1 240.435 3.274 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000558159978 383822962 /nfs/dbraw/zinc/82/29/62/383822962.db2.gz UZODJXBOLLQMJI-LJISPDSOSA-N 2 1 240.435 3.274 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000558159979 383823008 /nfs/dbraw/zinc/82/30/08/383823008.db2.gz UZODJXBOLLQMJI-XGUBFFRZSA-N 2 1 240.435 3.274 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000558159979 383823005 /nfs/dbraw/zinc/82/30/05/383823005.db2.gz UZODJXBOLLQMJI-XGUBFFRZSA-N 2 1 240.435 3.274 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000558159980 383823335 /nfs/dbraw/zinc/82/33/35/383823335.db2.gz UZODJXBOLLQMJI-ZQDZILKHSA-N 2 1 240.435 3.274 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000558159980 383823328 /nfs/dbraw/zinc/82/33/28/383823328.db2.gz UZODJXBOLLQMJI-ZQDZILKHSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000558227795 383855937 /nfs/dbraw/zinc/85/59/37/383855937.db2.gz ZVJTZHWLANFOMN-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000558227796 383855723 /nfs/dbraw/zinc/85/57/23/383855723.db2.gz ZVJTZHWLANFOMN-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000558227797 322947590 /nfs/dbraw/zinc/94/75/90/322947590.db2.gz ZVJTZHWLANFOMN-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000558227798 322947585 /nfs/dbraw/zinc/94/75/85/322947585.db2.gz ZVJTZHWLANFOMN-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000558241954 383864469 /nfs/dbraw/zinc/86/44/69/383864469.db2.gz UJXJJCQHJKAXAO-BFHYXJOUSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000558241954 383864464 /nfs/dbraw/zinc/86/44/64/383864464.db2.gz UJXJJCQHJKAXAO-BFHYXJOUSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000558241955 383864097 /nfs/dbraw/zinc/86/40/97/383864097.db2.gz UJXJJCQHJKAXAO-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000558241955 383864093 /nfs/dbraw/zinc/86/40/93/383864093.db2.gz UJXJJCQHJKAXAO-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000558241956 383864079 /nfs/dbraw/zinc/86/40/79/383864079.db2.gz UJXJJCQHJKAXAO-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000558241956 383864072 /nfs/dbraw/zinc/86/40/72/383864072.db2.gz UJXJJCQHJKAXAO-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000558241957 383865285 /nfs/dbraw/zinc/86/52/85/383865285.db2.gz UJXJJCQHJKAXAO-MJBXVCDLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000558241957 383865279 /nfs/dbraw/zinc/86/52/79/383865279.db2.gz UJXJJCQHJKAXAO-MJBXVCDLSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000558260343 322948410 /nfs/dbraw/zinc/94/84/10/322948410.db2.gz XVKAAXHIXOXNGH-HZSPNIEDSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000558260344 383893791 /nfs/dbraw/zinc/89/37/91/383893791.db2.gz XVKAAXHIXOXNGH-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000558260345 383893613 /nfs/dbraw/zinc/89/36/13/383893613.db2.gz XVKAAXHIXOXNGH-MGPQQGTHSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000558260346 383891762 /nfs/dbraw/zinc/89/17/62/383891762.db2.gz XVKAAXHIXOXNGH-RDBSUJKOSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](C)c1ccccc1 ZINC000558423428 383997986 /nfs/dbraw/zinc/99/79/86/383997986.db2.gz LTVDNKYMYGBPNC-HNNXBMFYSA-N 2 1 248.414 3.064 20 0 BGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](C)c1ccccc1 ZINC000558423429 383997131 /nfs/dbraw/zinc/99/71/31/383997131.db2.gz LTVDNKYMYGBPNC-OAHLLOKOSA-N 2 1 248.414 3.064 20 0 BGADMP CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559722109 385137614 /nfs/dbraw/zinc/13/76/14/385137614.db2.gz PJIXMVBUDAHLKE-CVEARBPZSA-N 2 1 246.398 3.212 20 0 BGADMP CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559722109 385137606 /nfs/dbraw/zinc/13/76/06/385137606.db2.gz PJIXMVBUDAHLKE-CVEARBPZSA-N 2 1 246.398 3.212 20 0 BGADMP CCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559722110 385138721 /nfs/dbraw/zinc/13/87/21/385138721.db2.gz PJIXMVBUDAHLKE-HOTGVXAUSA-N 2 1 246.398 3.212 20 0 BGADMP CCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559722110 385138718 /nfs/dbraw/zinc/13/87/18/385138718.db2.gz PJIXMVBUDAHLKE-HOTGVXAUSA-N 2 1 246.398 3.212 20 0 BGADMP CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559722111 385137424 /nfs/dbraw/zinc/13/74/24/385137424.db2.gz PJIXMVBUDAHLKE-HZPDHXFCSA-N 2 1 246.398 3.212 20 0 BGADMP CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559722111 385137418 /nfs/dbraw/zinc/13/74/18/385137418.db2.gz PJIXMVBUDAHLKE-HZPDHXFCSA-N 2 1 246.398 3.212 20 0 BGADMP CCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559722112 385138680 /nfs/dbraw/zinc/13/86/80/385138680.db2.gz PJIXMVBUDAHLKE-JKSUJKDBSA-N 2 1 246.398 3.212 20 0 BGADMP CCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559722112 385138678 /nfs/dbraw/zinc/13/86/78/385138678.db2.gz PJIXMVBUDAHLKE-JKSUJKDBSA-N 2 1 246.398 3.212 20 0 BGADMP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000560341506 322985894 /nfs/dbraw/zinc/98/58/94/322985894.db2.gz TVCRPDJXOHEWES-GFCCVEGCSA-N 2 1 238.419 3.028 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000560341511 384079718 /nfs/dbraw/zinc/07/97/18/384079718.db2.gz TVCRPDJXOHEWES-LBPRGKRZSA-N 2 1 238.419 3.028 20 0 BGADMP CCC(C)(C)[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000560341562 384082417 /nfs/dbraw/zinc/08/24/17/384082417.db2.gz XDFXDOSQLWELBP-CYBMUJFWSA-N 2 1 228.424 3.131 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000560341563 384081273 /nfs/dbraw/zinc/08/12/73/384081273.db2.gz XDFXDOSQLWELBP-ZDUSSCGKSA-N 2 1 228.424 3.131 20 0 BGADMP CCCC(CCC)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000560586154 384241950 /nfs/dbraw/zinc/24/19/50/384241950.db2.gz LMOQEDPCZANTTH-HNNXBMFYSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC(CCC)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000560586154 384241946 /nfs/dbraw/zinc/24/19/46/384241946.db2.gz LMOQEDPCZANTTH-HNNXBMFYSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCC1 ZINC000561396730 323001097 /nfs/dbraw/zinc/00/10/97/323001097.db2.gz WQPULJBPXBNPOF-HNNXBMFYSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCC1 ZINC000561396731 323001090 /nfs/dbraw/zinc/00/10/90/323001090.db2.gz WQPULJBPXBNPOF-OAHLLOKOSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000561751255 323006433 /nfs/dbraw/zinc/00/64/33/323006433.db2.gz OMWQQIDYNSBUQI-BFHYXJOUSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000561751255 323006432 /nfs/dbraw/zinc/00/64/32/323006432.db2.gz OMWQQIDYNSBUQI-BFHYXJOUSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000561751260 323006370 /nfs/dbraw/zinc/00/63/70/323006370.db2.gz OMWQQIDYNSBUQI-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000561751260 323006369 /nfs/dbraw/zinc/00/63/69/323006369.db2.gz OMWQQIDYNSBUQI-IHRRRGAJSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000561751262 323006423 /nfs/dbraw/zinc/00/64/23/323006423.db2.gz OMWQQIDYNSBUQI-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000561751262 323006422 /nfs/dbraw/zinc/00/64/22/323006422.db2.gz OMWQQIDYNSBUQI-MELADBBJSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000561751263 323006418 /nfs/dbraw/zinc/00/64/18/323006418.db2.gz OMWQQIDYNSBUQI-MJBXVCDLSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000561751263 323006417 /nfs/dbraw/zinc/00/64/17/323006417.db2.gz OMWQQIDYNSBUQI-MJBXVCDLSA-N 2 1 240.435 3.131 20 0 BGADMP CCCc1cccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000561971107 323009777 /nfs/dbraw/zinc/00/97/77/323009777.db2.gz XZIZVLBQUIJLLJ-UHFFFAOYSA-N 2 1 248.414 3.023 20 0 BGADMP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C)C(C)C ZINC000562042681 323011122 /nfs/dbraw/zinc/01/11/22/323011122.db2.gz JFWWUKCADFALIF-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+](CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C)C(C)C ZINC000562042681 323011121 /nfs/dbraw/zinc/01/11/21/323011121.db2.gz JFWWUKCADFALIF-KBPBESRZSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](CC[NH2+][C@H]1CC[C@H]1C(C)(C)C)C(C)C ZINC000562042682 323011028 /nfs/dbraw/zinc/01/10/28/323011028.db2.gz JFWWUKCADFALIF-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+](CC[NH2+][C@H]1CC[C@H]1C(C)(C)C)C(C)C ZINC000562042682 323011027 /nfs/dbraw/zinc/01/10/27/323011027.db2.gz JFWWUKCADFALIF-KGLIPLIRSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)C(C)C ZINC000562042683 323011016 /nfs/dbraw/zinc/01/10/16/323011016.db2.gz JFWWUKCADFALIF-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)C(C)C ZINC000562042683 323011015 /nfs/dbraw/zinc/01/10/15/323011015.db2.gz JFWWUKCADFALIF-UONOGXRCSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C)C(C)C ZINC000562042684 323011054 /nfs/dbraw/zinc/01/10/54/323011054.db2.gz JFWWUKCADFALIF-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C)C(C)C ZINC000562042684 323011053 /nfs/dbraw/zinc/01/10/53/323011053.db2.gz JFWWUKCADFALIF-ZIAGYGMSSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]1CC ZINC000562091835 323012022 /nfs/dbraw/zinc/01/20/22/323012022.db2.gz LUNFRXLTLSJOKG-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]1CC ZINC000562091835 323012021 /nfs/dbraw/zinc/01/20/21/323012021.db2.gz LUNFRXLTLSJOKG-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H]1CC ZINC000562091837 323012076 /nfs/dbraw/zinc/01/20/76/323012076.db2.gz LUNFRXLTLSJOKG-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H]1CC ZINC000562091837 323012075 /nfs/dbraw/zinc/01/20/75/323012075.db2.gz LUNFRXLTLSJOKG-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1CC ZINC000562091838 323012011 /nfs/dbraw/zinc/01/20/11/323012011.db2.gz LUNFRXLTLSJOKG-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1CC ZINC000562091838 323012010 /nfs/dbraw/zinc/01/20/10/323012010.db2.gz LUNFRXLTLSJOKG-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1CC ZINC000562091840 323012088 /nfs/dbraw/zinc/01/20/88/323012088.db2.gz LUNFRXLTLSJOKG-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1CC ZINC000562091840 323012087 /nfs/dbraw/zinc/01/20/87/323012087.db2.gz LUNFRXLTLSJOKG-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000562776548 323030296 /nfs/dbraw/zinc/03/02/96/323030296.db2.gz LFJJSUDTFNEMAA-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)CC)C1 ZINC000562776550 323030373 /nfs/dbraw/zinc/03/03/73/323030373.db2.gz LFJJSUDTFNEMAA-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000562776552 323030289 /nfs/dbraw/zinc/03/02/89/323030289.db2.gz LFJJSUDTFNEMAA-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)CC)C1 ZINC000562776553 323030322 /nfs/dbraw/zinc/03/03/22/323030322.db2.gz LFJJSUDTFNEMAA-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000562789569 323030745 /nfs/dbraw/zinc/03/07/45/323030745.db2.gz IHDOWLOHFABPFE-FUDCBSFHSA-N 2 1 238.419 3.026 20 0 BGADMP CCC(C)(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000562789583 323030715 /nfs/dbraw/zinc/03/07/15/323030715.db2.gz IHDOWLOHFABPFE-RLAWYHOSSA-N 2 1 238.419 3.026 20 0 BGADMP CCC(CC)[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000562834852 488180509 /nfs/dbraw/zinc/18/05/09/488180509.db2.gz LUAIPOGCXYZSGM-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(CC)[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000562834853 488180697 /nfs/dbraw/zinc/18/06/97/488180697.db2.gz LUAIPOGCXYZSGM-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000563348818 323119887 /nfs/dbraw/zinc/11/98/87/323119887.db2.gz CBVWSRCFCZFIJM-UHFFFAOYSA-N 2 1 249.402 3.006 20 0 BGADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000563348818 323119886 /nfs/dbraw/zinc/11/98/86/323119886.db2.gz CBVWSRCFCZFIJM-UHFFFAOYSA-N 2 1 249.402 3.006 20 0 BGADMP CCCC[C@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000564007898 323349154 /nfs/dbraw/zinc/34/91/54/323349154.db2.gz RUIIUPHPJIIDJG-HNNXBMFYSA-N 2 1 240.435 3.373 20 0 BGADMP CCCC[C@@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000564007905 323349100 /nfs/dbraw/zinc/34/91/00/323349100.db2.gz RUIIUPHPJIIDJG-OAHLLOKOSA-N 2 1 240.435 3.373 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000564151812 641444213 /nfs/dbraw/zinc/44/42/13/641444213.db2.gz JRFGZZQFWUVGPF-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000564151812 641444210 /nfs/dbraw/zinc/44/42/10/641444210.db2.gz JRFGZZQFWUVGPF-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000564151814 388564665 /nfs/dbraw/zinc/56/46/65/388564665.db2.gz JRFGZZQFWUVGPF-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000564151814 388564662 /nfs/dbraw/zinc/56/46/62/388564662.db2.gz JRFGZZQFWUVGPF-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)(CC)C[N@@H+](C)CCC[NH+](C)C ZINC000564313431 325324714 /nfs/dbraw/zinc/32/47/14/325324714.db2.gz VVYQBNDDIAQGJB-UHFFFAOYSA-N 2 1 228.424 3.086 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000564419453 323328238 /nfs/dbraw/zinc/32/82/38/323328238.db2.gz NJRZAGSXKMQJAX-CABCVRRESA-N 2 1 238.419 3.053 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000564419453 323328235 /nfs/dbraw/zinc/32/82/35/323328235.db2.gz NJRZAGSXKMQJAX-CABCVRRESA-N 2 1 238.419 3.053 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000564419456 323328586 /nfs/dbraw/zinc/32/85/86/323328586.db2.gz NJRZAGSXKMQJAX-HUUCEWRRSA-N 2 1 238.419 3.053 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000564419456 323328581 /nfs/dbraw/zinc/32/85/81/323328581.db2.gz NJRZAGSXKMQJAX-HUUCEWRRSA-N 2 1 238.419 3.053 20 0 BGADMP CC[C@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000564426315 384422527 /nfs/dbraw/zinc/42/25/27/384422527.db2.gz ABHPKRWFRDHDDN-KKUMJFAQSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000564426315 384422522 /nfs/dbraw/zinc/42/25/22/384422522.db2.gz ABHPKRWFRDHDDN-KKUMJFAQSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000564426318 384423241 /nfs/dbraw/zinc/42/32/41/384423241.db2.gz ABHPKRWFRDHDDN-SOUVJXGZSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000564426318 384423235 /nfs/dbraw/zinc/42/32/35/384423235.db2.gz ABHPKRWFRDHDDN-SOUVJXGZSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000564426533 388876253 /nfs/dbraw/zinc/87/62/53/388876253.db2.gz CFMHGUCXZPJJPH-CABCVRRESA-N 2 1 240.435 3.440 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000564426533 388876248 /nfs/dbraw/zinc/87/62/48/388876248.db2.gz CFMHGUCXZPJJPH-CABCVRRESA-N 2 1 240.435 3.440 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000564426534 388876172 /nfs/dbraw/zinc/87/61/72/388876172.db2.gz CFMHGUCXZPJJPH-GJZGRUSLSA-N 2 1 240.435 3.440 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000564426534 388876169 /nfs/dbraw/zinc/87/61/69/388876169.db2.gz CFMHGUCXZPJJPH-GJZGRUSLSA-N 2 1 240.435 3.440 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000564428745 388875559 /nfs/dbraw/zinc/87/55/59/388875559.db2.gz ZKSJPKKORNLYOG-BARDWOONSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000564428745 388875556 /nfs/dbraw/zinc/87/55/56/388875556.db2.gz ZKSJPKKORNLYOG-BARDWOONSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000564428746 388875438 /nfs/dbraw/zinc/87/54/38/388875438.db2.gz ZKSJPKKORNLYOG-CBBWQLFWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000564428746 388875434 /nfs/dbraw/zinc/87/54/34/388875434.db2.gz ZKSJPKKORNLYOG-CBBWQLFWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000564428747 388875532 /nfs/dbraw/zinc/87/55/32/388875532.db2.gz ZKSJPKKORNLYOG-LXTVHRRPSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000564428747 388875529 /nfs/dbraw/zinc/87/55/29/388875529.db2.gz ZKSJPKKORNLYOG-LXTVHRRPSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000564428748 388875553 /nfs/dbraw/zinc/87/55/53/388875553.db2.gz ZKSJPKKORNLYOG-QPSCCSFWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000564428748 388875548 /nfs/dbraw/zinc/87/55/48/388875548.db2.gz ZKSJPKKORNLYOG-QPSCCSFWSA-N 2 1 240.435 3.129 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000564438915 388875699 /nfs/dbraw/zinc/87/56/99/388875699.db2.gz LHEGMHDODVGPSF-KKUMJFAQSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000564438915 388875697 /nfs/dbraw/zinc/87/56/97/388875697.db2.gz LHEGMHDODVGPSF-KKUMJFAQSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000564438916 388875936 /nfs/dbraw/zinc/87/59/36/388875936.db2.gz LHEGMHDODVGPSF-RRFJBIMHSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000564438916 388875933 /nfs/dbraw/zinc/87/59/33/388875933.db2.gz LHEGMHDODVGPSF-RRFJBIMHSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000564438917 388875642 /nfs/dbraw/zinc/87/56/42/388875642.db2.gz LHEGMHDODVGPSF-SOUVJXGZSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000564438917 388875640 /nfs/dbraw/zinc/87/56/40/388875640.db2.gz LHEGMHDODVGPSF-SOUVJXGZSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000564438919 388875633 /nfs/dbraw/zinc/87/56/33/388875633.db2.gz LHEGMHDODVGPSF-ZNMIVQPWSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000564438919 388875632 /nfs/dbraw/zinc/87/56/32/388875632.db2.gz LHEGMHDODVGPSF-ZNMIVQPWSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000564646768 388881901 /nfs/dbraw/zinc/88/19/01/388881901.db2.gz KECHJMGLLLKLEU-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000564646768 388881898 /nfs/dbraw/zinc/88/18/98/388881898.db2.gz KECHJMGLLLKLEU-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000564646769 388882528 /nfs/dbraw/zinc/88/25/28/388882528.db2.gz KECHJMGLLLKLEU-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000564646769 388882524 /nfs/dbraw/zinc/88/25/24/388882524.db2.gz KECHJMGLLLKLEU-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC1CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000565218848 325878417 /nfs/dbraw/zinc/87/84/17/325878417.db2.gz RZRSSQWXFFEDKF-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000565268593 388933791 /nfs/dbraw/zinc/93/37/91/388933791.db2.gz FAKFQVUOXZLVIX-KKUMJFAQSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000565268603 388933296 /nfs/dbraw/zinc/93/32/96/388933296.db2.gz FAKFQVUOXZLVIX-RRFJBIMHSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000565268604 388933738 /nfs/dbraw/zinc/93/37/38/388933738.db2.gz FAKFQVUOXZLVIX-SOUVJXGZSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000565268605 388932954 /nfs/dbraw/zinc/93/29/54/388932954.db2.gz FAKFQVUOXZLVIX-ZNMIVQPWSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000565689833 388961475 /nfs/dbraw/zinc/96/14/75/388961475.db2.gz LDQJUGMEDRJILY-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000565689833 388961472 /nfs/dbraw/zinc/96/14/72/388961472.db2.gz LDQJUGMEDRJILY-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000565689834 388961770 /nfs/dbraw/zinc/96/17/70/388961770.db2.gz LDQJUGMEDRJILY-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000565689834 388961767 /nfs/dbraw/zinc/96/17/67/388961767.db2.gz LDQJUGMEDRJILY-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000565863368 388973478 /nfs/dbraw/zinc/97/34/78/388973478.db2.gz VEJQGLDKAKIGMF-KBUPBQIOSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000565863368 388973474 /nfs/dbraw/zinc/97/34/74/388973474.db2.gz VEJQGLDKAKIGMF-KBUPBQIOSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000565863369 388974552 /nfs/dbraw/zinc/97/45/52/388974552.db2.gz VEJQGLDKAKIGMF-LXTVHRRPSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000565863369 388974549 /nfs/dbraw/zinc/97/45/49/388974549.db2.gz VEJQGLDKAKIGMF-LXTVHRRPSA-N 2 1 240.435 3.129 20 0 BGADMP CC1(C[NH2+]CCC[NH+]2CCC2)CCCCCC1 ZINC000566019922 388983227 /nfs/dbraw/zinc/98/32/27/388983227.db2.gz XLMVLGGIZBDPPR-UHFFFAOYSA-N 2 1 238.419 3.032 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000566885304 326090924 /nfs/dbraw/zinc/09/09/24/326090924.db2.gz XORMTOSYKMGLMM-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000566885304 326090922 /nfs/dbraw/zinc/09/09/22/326090922.db2.gz XORMTOSYKMGLMM-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000566885307 326090897 /nfs/dbraw/zinc/09/08/97/326090897.db2.gz XORMTOSYKMGLMM-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000566885307 326090895 /nfs/dbraw/zinc/09/08/95/326090895.db2.gz XORMTOSYKMGLMM-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000566908904 326092436 /nfs/dbraw/zinc/09/24/36/326092436.db2.gz FZKPGPAJFQMBKI-GFCCVEGCSA-N 2 1 246.354 3.083 20 0 BGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000566908905 326092525 /nfs/dbraw/zinc/09/25/25/326092525.db2.gz FZKPGPAJFQMBKI-LBPRGKRZSA-N 2 1 246.354 3.083 20 0 BGADMP CC1=CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000566930357 326095002 /nfs/dbraw/zinc/09/50/02/326095002.db2.gz YJRUSKSWMPPKAL-HNSVSWJLSA-N 2 1 248.414 3.090 20 0 BGADMP CC1=CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000566930357 326095000 /nfs/dbraw/zinc/09/50/00/326095000.db2.gz YJRUSKSWMPPKAL-HNSVSWJLSA-N 2 1 248.414 3.090 20 0 BGADMP CC1=CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000566930358 326095067 /nfs/dbraw/zinc/09/50/67/326095067.db2.gz YJRUSKSWMPPKAL-WZYMTQMTSA-N 2 1 248.414 3.090 20 0 BGADMP CC1=CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000566930358 326095065 /nfs/dbraw/zinc/09/50/65/326095065.db2.gz YJRUSKSWMPPKAL-WZYMTQMTSA-N 2 1 248.414 3.090 20 0 BGADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000566949498 326096331 /nfs/dbraw/zinc/09/63/31/326096331.db2.gz SNLZIGZKSLUSDF-CABCVRRESA-N 2 1 249.402 3.140 20 0 BGADMP CCC[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000566949499 323027053 /nfs/dbraw/zinc/02/70/53/323027053.db2.gz SNLZIGZKSLUSDF-GJZGRUSLSA-N 2 1 249.402 3.140 20 0 BGADMP CCC[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000566949500 323027132 /nfs/dbraw/zinc/02/71/32/323027132.db2.gz SNLZIGZKSLUSDF-HUUCEWRRSA-N 2 1 249.402 3.140 20 0 BGADMP CCC[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000566949501 323027185 /nfs/dbraw/zinc/02/71/85/323027185.db2.gz SNLZIGZKSLUSDF-LSDHHAIUSA-N 2 1 249.402 3.140 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CC ZINC000567284961 326155901 /nfs/dbraw/zinc/15/59/01/326155901.db2.gz LUNFRXLTLSJOKG-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CC ZINC000567284961 326155899 /nfs/dbraw/zinc/15/58/99/326155899.db2.gz LUNFRXLTLSJOKG-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CC ZINC000567284962 326155921 /nfs/dbraw/zinc/15/59/21/326155921.db2.gz LUNFRXLTLSJOKG-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CC ZINC000567284962 326155919 /nfs/dbraw/zinc/15/59/19/326155919.db2.gz LUNFRXLTLSJOKG-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CC ZINC000567284963 326155951 /nfs/dbraw/zinc/15/59/51/326155951.db2.gz LUNFRXLTLSJOKG-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CC ZINC000567284963 326155949 /nfs/dbraw/zinc/15/59/49/326155949.db2.gz LUNFRXLTLSJOKG-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1CC ZINC000567284964 326155884 /nfs/dbraw/zinc/15/58/84/326155884.db2.gz LUNFRXLTLSJOKG-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1CC ZINC000567284964 326155882 /nfs/dbraw/zinc/15/58/82/326155882.db2.gz LUNFRXLTLSJOKG-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000567391446 326182164 /nfs/dbraw/zinc/18/21/64/326182164.db2.gz GHCONQPBZNKNCB-NFOMZHRRSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000567391446 326182162 /nfs/dbraw/zinc/18/21/62/326182162.db2.gz GHCONQPBZNKNCB-NFOMZHRRSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000567433057 326189395 /nfs/dbraw/zinc/18/93/95/326189395.db2.gz XORMTOSYKMGLMM-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000567433057 326189392 /nfs/dbraw/zinc/18/93/92/326189392.db2.gz XORMTOSYKMGLMM-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000567433058 326189441 /nfs/dbraw/zinc/18/94/41/326189441.db2.gz XORMTOSYKMGLMM-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000567433058 326189438 /nfs/dbraw/zinc/18/94/38/326189438.db2.gz XORMTOSYKMGLMM-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CCC[NH+](C)C)CC(CC)CC ZINC000567651332 326238520 /nfs/dbraw/zinc/23/85/20/326238520.db2.gz QKBPMMPMNABOLW-UHFFFAOYSA-N 2 1 228.424 3.086 20 0 BGADMP CCC(C)(C)[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000567688901 326245694 /nfs/dbraw/zinc/24/56/94/326245694.db2.gz OCIHSEKCOSIXCA-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000567688902 326245718 /nfs/dbraw/zinc/24/57/18/326245718.db2.gz OCIHSEKCOSIXCA-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000567970239 326289316 /nfs/dbraw/zinc/28/93/16/326289316.db2.gz BLCMDXQMNBPVSG-CABCVRRESA-N 2 1 238.419 3.053 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000567970239 326289315 /nfs/dbraw/zinc/28/93/15/326289315.db2.gz BLCMDXQMNBPVSG-CABCVRRESA-N 2 1 238.419 3.053 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000567970240 326289298 /nfs/dbraw/zinc/28/92/98/326289298.db2.gz BLCMDXQMNBPVSG-HUUCEWRRSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000567970240 326289296 /nfs/dbraw/zinc/28/92/96/326289296.db2.gz BLCMDXQMNBPVSG-HUUCEWRRSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000568298439 326342883 /nfs/dbraw/zinc/34/28/83/326342883.db2.gz AXGMHBCGQWDQEA-AWEZNQCLSA-N 2 1 240.435 3.227 20 0 BGADMP CCC[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000568298440 326342858 /nfs/dbraw/zinc/34/28/58/326342858.db2.gz AXGMHBCGQWDQEA-CQSZACIVSA-N 2 1 240.435 3.227 20 0 BGADMP CCCC[C@H](C)[N@@H+](C)CCC[NH+](CC)CC ZINC000568331659 326345322 /nfs/dbraw/zinc/34/53/22/326345322.db2.gz KWHIRRJGZNQOOC-AWEZNQCLSA-N 2 1 228.424 3.229 20 0 BGADMP CCCC[C@@H](C)[N@@H+](C)CCC[NH+](CC)CC ZINC000568331660 326345370 /nfs/dbraw/zinc/34/53/70/326345370.db2.gz KWHIRRJGZNQOOC-CQSZACIVSA-N 2 1 228.424 3.229 20 0 BGADMP CC1=CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000568375807 326351109 /nfs/dbraw/zinc/35/11/09/326351109.db2.gz JIWLLBASIXDUMO-CABCVRRESA-N 2 1 248.414 3.092 20 0 BGADMP CC1=CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000568375807 326351108 /nfs/dbraw/zinc/35/11/08/326351108.db2.gz JIWLLBASIXDUMO-CABCVRRESA-N 2 1 248.414 3.092 20 0 BGADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000568375812 326351053 /nfs/dbraw/zinc/35/10/53/326351053.db2.gz JIWLLBASIXDUMO-GJZGRUSLSA-N 2 1 248.414 3.092 20 0 BGADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000568375812 326351052 /nfs/dbraw/zinc/35/10/52/326351052.db2.gz JIWLLBASIXDUMO-GJZGRUSLSA-N 2 1 248.414 3.092 20 0 BGADMP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000568375814 326350958 /nfs/dbraw/zinc/35/09/58/326350958.db2.gz JIWLLBASIXDUMO-HUUCEWRRSA-N 2 1 248.414 3.092 20 0 BGADMP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000568375814 326350956 /nfs/dbraw/zinc/35/09/56/326350956.db2.gz JIWLLBASIXDUMO-HUUCEWRRSA-N 2 1 248.414 3.092 20 0 BGADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000568375816 326350940 /nfs/dbraw/zinc/35/09/40/326350940.db2.gz JIWLLBASIXDUMO-LSDHHAIUSA-N 2 1 248.414 3.092 20 0 BGADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000568375816 326350939 /nfs/dbraw/zinc/35/09/39/326350939.db2.gz JIWLLBASIXDUMO-LSDHHAIUSA-N 2 1 248.414 3.092 20 0 BGADMP CCC(C)(C)CC[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000568527215 326363003 /nfs/dbraw/zinc/36/30/03/326363003.db2.gz RUOFXUCOJXVVAW-CYBMUJFWSA-N 2 1 249.402 3.036 20 0 BGADMP CCC(C)(C)CC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000568527219 326363223 /nfs/dbraw/zinc/36/32/23/326363223.db2.gz RUOFXUCOJXVVAW-ZDUSSCGKSA-N 2 1 249.402 3.036 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCCC1(C)C ZINC000568618597 326367667 /nfs/dbraw/zinc/36/76/67/326367667.db2.gz NKUVCBRHTRTTAX-CHWSQXEVSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCCC1(C)C ZINC000568618615 326367712 /nfs/dbraw/zinc/36/77/12/326367712.db2.gz NKUVCBRHTRTTAX-OLZOCXBDSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCCC1(C)C ZINC000568618617 326367790 /nfs/dbraw/zinc/36/77/90/326367790.db2.gz NKUVCBRHTRTTAX-QWHCGFSZSA-N 2 1 226.408 3.062 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCCC1(C)C ZINC000568618619 326367613 /nfs/dbraw/zinc/36/76/13/326367613.db2.gz NKUVCBRHTRTTAX-STQMWFEESA-N 2 1 226.408 3.062 20 0 BGADMP CCC(CC)[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000568659971 326371318 /nfs/dbraw/zinc/37/13/18/326371318.db2.gz OMSSQYTUTQTGCH-UHFFFAOYSA-N 2 1 249.402 3.006 20 0 BGADMP CCC(CC)[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000568659971 326371317 /nfs/dbraw/zinc/37/13/17/326371317.db2.gz OMSSQYTUTQTGCH-UHFFFAOYSA-N 2 1 249.402 3.006 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000568686806 326372512 /nfs/dbraw/zinc/37/25/12/326372512.db2.gz BWFZRSCHLSHNIC-BARDWOONSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000568686806 326372510 /nfs/dbraw/zinc/37/25/10/326372510.db2.gz BWFZRSCHLSHNIC-BARDWOONSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000568686807 326372576 /nfs/dbraw/zinc/37/25/76/326372576.db2.gz BWFZRSCHLSHNIC-TUVASFSCSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000568686807 326372575 /nfs/dbraw/zinc/37/25/75/326372575.db2.gz BWFZRSCHLSHNIC-TUVASFSCSA-N 2 1 240.435 3.129 20 0 BGADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CCCCCC1 ZINC000569469182 384088952 /nfs/dbraw/zinc/08/89/52/384088952.db2.gz OTBFIOZHXGWWGH-UHFFFAOYSA-N 2 1 249.402 3.007 20 0 BGADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CCCCCC1 ZINC000569469182 384088950 /nfs/dbraw/zinc/08/89/50/384088950.db2.gz OTBFIOZHXGWWGH-UHFFFAOYSA-N 2 1 249.402 3.007 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000569501166 384135463 /nfs/dbraw/zinc/13/54/63/384135463.db2.gz ZJUVPDXQEVPJMQ-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000569501166 384135460 /nfs/dbraw/zinc/13/54/60/384135460.db2.gz ZJUVPDXQEVPJMQ-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000569501172 384136727 /nfs/dbraw/zinc/13/67/27/384136727.db2.gz ZJUVPDXQEVPJMQ-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000569501172 384136722 /nfs/dbraw/zinc/13/67/22/384136722.db2.gz ZJUVPDXQEVPJMQ-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000569501173 384136026 /nfs/dbraw/zinc/13/60/26/384136026.db2.gz ZJUVPDXQEVPJMQ-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000569501173 384136021 /nfs/dbraw/zinc/13/60/21/384136021.db2.gz ZJUVPDXQEVPJMQ-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000569501175 384135846 /nfs/dbraw/zinc/13/58/46/384135846.db2.gz ZJUVPDXQEVPJMQ-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000569501175 384135843 /nfs/dbraw/zinc/13/58/43/384135843.db2.gz ZJUVPDXQEVPJMQ-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000569514365 384160544 /nfs/dbraw/zinc/16/05/44/384160544.db2.gz ZJUVPDXQEVPJMQ-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000569514365 384160542 /nfs/dbraw/zinc/16/05/42/384160542.db2.gz ZJUVPDXQEVPJMQ-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000569514366 384160405 /nfs/dbraw/zinc/16/04/05/384160405.db2.gz ZJUVPDXQEVPJMQ-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000569514366 384160401 /nfs/dbraw/zinc/16/04/01/384160401.db2.gz ZJUVPDXQEVPJMQ-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000569514367 384159890 /nfs/dbraw/zinc/15/98/90/384159890.db2.gz ZJUVPDXQEVPJMQ-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000569514367 384159885 /nfs/dbraw/zinc/15/98/85/384159885.db2.gz ZJUVPDXQEVPJMQ-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000569514368 384158584 /nfs/dbraw/zinc/15/85/84/384158584.db2.gz ZJUVPDXQEVPJMQ-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000569514368 384158579 /nfs/dbraw/zinc/15/85/79/384158579.db2.gz ZJUVPDXQEVPJMQ-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000569628389 323003480 /nfs/dbraw/zinc/00/34/80/323003480.db2.gz ICRSHDCHOGNWDI-KKUMJFAQSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000569628389 323003479 /nfs/dbraw/zinc/00/34/79/323003479.db2.gz ICRSHDCHOGNWDI-KKUMJFAQSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000569628392 323003518 /nfs/dbraw/zinc/00/35/18/323003518.db2.gz ICRSHDCHOGNWDI-SOUVJXGZSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000569628392 323003517 /nfs/dbraw/zinc/00/35/17/323003517.db2.gz ICRSHDCHOGNWDI-SOUVJXGZSA-N 2 1 240.435 3.131 20 0 BGADMP CC[C@H]1CCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000569782434 323040467 /nfs/dbraw/zinc/04/04/67/323040467.db2.gz SLFINOMNDXHWBH-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000569782435 323040472 /nfs/dbraw/zinc/04/04/72/323040472.db2.gz SLFINOMNDXHWBH-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000569782436 323040527 /nfs/dbraw/zinc/04/05/27/323040527.db2.gz SLFINOMNDXHWBH-UKRRQHHQSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000569782437 323040502 /nfs/dbraw/zinc/04/05/02/323040502.db2.gz SLFINOMNDXHWBH-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000570317014 323056088 /nfs/dbraw/zinc/05/60/88/323056088.db2.gz YCJNDWDPUFPLCD-KKUMJFAQSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000570317014 323056087 /nfs/dbraw/zinc/05/60/87/323056087.db2.gz YCJNDWDPUFPLCD-KKUMJFAQSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000570317018 323056075 /nfs/dbraw/zinc/05/60/75/323056075.db2.gz YCJNDWDPUFPLCD-RRFJBIMHSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000570317018 323056074 /nfs/dbraw/zinc/05/60/74/323056074.db2.gz YCJNDWDPUFPLCD-RRFJBIMHSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000570317019 323056094 /nfs/dbraw/zinc/05/60/94/323056094.db2.gz YCJNDWDPUFPLCD-SOUVJXGZSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000570317019 323056093 /nfs/dbraw/zinc/05/60/93/323056093.db2.gz YCJNDWDPUFPLCD-SOUVJXGZSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000570317021 323056103 /nfs/dbraw/zinc/05/61/03/323056103.db2.gz YCJNDWDPUFPLCD-ZNMIVQPWSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000570317021 323056102 /nfs/dbraw/zinc/05/61/02/323056102.db2.gz YCJNDWDPUFPLCD-ZNMIVQPWSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C(C)C)C1CC1 ZINC000570324406 323056129 /nfs/dbraw/zinc/05/61/29/323056129.db2.gz ZOTBDUIYDBJCEC-HIFRSBDPSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C(C)C)C1CC1 ZINC000570324406 323056128 /nfs/dbraw/zinc/05/61/28/323056128.db2.gz ZOTBDUIYDBJCEC-HIFRSBDPSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C(C)C)C1CC1 ZINC000570324408 323056070 /nfs/dbraw/zinc/05/60/70/323056070.db2.gz ZOTBDUIYDBJCEC-UKRRQHHQSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C(C)C)C1CC1 ZINC000570324408 323056069 /nfs/dbraw/zinc/05/60/69/323056069.db2.gz ZOTBDUIYDBJCEC-UKRRQHHQSA-N 2 1 240.435 3.131 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000570338024 323056898 /nfs/dbraw/zinc/05/68/98/323056898.db2.gz QHJNJRDRBOWGRZ-HNNXBMFYSA-N 2 1 238.419 3.031 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000570338025 323056941 /nfs/dbraw/zinc/05/69/41/323056941.db2.gz QHJNJRDRBOWGRZ-OAHLLOKOSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@@H](CC[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000570604408 346356464 /nfs/dbraw/zinc/35/64/64/346356464.db2.gz HTJFANQEIUXHSB-HNNXBMFYSA-N 2 1 248.414 3.064 20 0 BGADMP C[C@H](CC[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000570604414 346356765 /nfs/dbraw/zinc/35/67/65/346356765.db2.gz HTJFANQEIUXHSB-OAHLLOKOSA-N 2 1 248.414 3.064 20 0 BGADMP CCCCC[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000570721348 323068671 /nfs/dbraw/zinc/06/86/71/323068671.db2.gz XDPUGZJUJNJFRD-CABCVRRESA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000570721353 323068706 /nfs/dbraw/zinc/06/87/06/323068706.db2.gz XDPUGZJUJNJFRD-GJZGRUSLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000570721354 323068643 /nfs/dbraw/zinc/06/86/43/323068643.db2.gz XDPUGZJUJNJFRD-HUUCEWRRSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000570721356 323068655 /nfs/dbraw/zinc/06/86/55/323068655.db2.gz XDPUGZJUJNJFRD-LSDHHAIUSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000571691452 387144686 /nfs/dbraw/zinc/14/46/86/387144686.db2.gz WQUUCEDMYOSCIO-CABCVRRESA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000571691453 387144743 /nfs/dbraw/zinc/14/47/43/387144743.db2.gz WQUUCEDMYOSCIO-GJZGRUSLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000571691454 387144738 /nfs/dbraw/zinc/14/47/38/387144738.db2.gz WQUUCEDMYOSCIO-HUUCEWRRSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000571691455 387144715 /nfs/dbraw/zinc/14/47/15/387144715.db2.gz WQUUCEDMYOSCIO-LSDHHAIUSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000571725120 387161447 /nfs/dbraw/zinc/16/14/47/387161447.db2.gz ICRSHDCHOGNWDI-RRFJBIMHSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000571725120 387161442 /nfs/dbraw/zinc/16/14/42/387161442.db2.gz ICRSHDCHOGNWDI-RRFJBIMHSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000571725124 387160873 /nfs/dbraw/zinc/16/08/73/387160873.db2.gz ICRSHDCHOGNWDI-ZNMIVQPWSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000571725124 387160868 /nfs/dbraw/zinc/16/08/68/387160868.db2.gz ICRSHDCHOGNWDI-ZNMIVQPWSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCCCCC1 ZINC000571836629 387181176 /nfs/dbraw/zinc/18/11/76/387181176.db2.gz GDXQEYRQJQJSFU-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCCCCC1 ZINC000571836629 387181172 /nfs/dbraw/zinc/18/11/72/387181172.db2.gz GDXQEYRQJQJSFU-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000571920227 387197201 /nfs/dbraw/zinc/19/72/01/387197201.db2.gz QENMPBSALDSWIX-KBPBESRZSA-N 2 1 238.419 3.053 20 0 BGADMP CCCC[C@@H](C)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000571920231 387197900 /nfs/dbraw/zinc/19/79/00/387197900.db2.gz QENMPBSALDSWIX-KGLIPLIRSA-N 2 1 238.419 3.053 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000571920232 387197733 /nfs/dbraw/zinc/19/77/33/387197733.db2.gz QENMPBSALDSWIX-UONOGXRCSA-N 2 1 238.419 3.053 20 0 BGADMP CCCC[C@@H](C)[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000571920233 387197636 /nfs/dbraw/zinc/19/76/36/387197636.db2.gz QENMPBSALDSWIX-ZIAGYGMSSA-N 2 1 238.419 3.053 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000572209033 387267802 /nfs/dbraw/zinc/26/78/02/387267802.db2.gz JRFGZZQFWUVGPF-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000572209033 387267800 /nfs/dbraw/zinc/26/78/00/387267800.db2.gz JRFGZZQFWUVGPF-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000572209034 387268100 /nfs/dbraw/zinc/26/81/00/387268100.db2.gz JRFGZZQFWUVGPF-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000572209034 387268093 /nfs/dbraw/zinc/26/80/93/387268093.db2.gz JRFGZZQFWUVGPF-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000572343584 387333611 /nfs/dbraw/zinc/33/36/11/387333611.db2.gz RQMVXTPXVSAPKV-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(C)(C)[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000572343585 387335505 /nfs/dbraw/zinc/33/55/05/387335505.db2.gz RQMVXTPXVSAPKV-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000572343586 387335142 /nfs/dbraw/zinc/33/51/42/387335142.db2.gz RQMVXTPXVSAPKV-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(C)(C)[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000572343587 387334904 /nfs/dbraw/zinc/33/49/04/387334904.db2.gz RQMVXTPXVSAPKV-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000572492129 324130184 /nfs/dbraw/zinc/13/01/84/324130184.db2.gz LDQJUGMEDRJILY-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000572492129 324130180 /nfs/dbraw/zinc/13/01/80/324130180.db2.gz LDQJUGMEDRJILY-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000572492130 324130170 /nfs/dbraw/zinc/13/01/70/324130170.db2.gz LDQJUGMEDRJILY-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000572492130 324130166 /nfs/dbraw/zinc/13/01/66/324130166.db2.gz LDQJUGMEDRJILY-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(C)CC1 ZINC000572551203 325749573 /nfs/dbraw/zinc/74/95/73/325749573.db2.gz LERKJNPANFANRE-UHFFFAOYSA-N 2 1 249.402 3.140 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[C@H]1CC)[NH+](C)C ZINC000572790983 388376394 /nfs/dbraw/zinc/37/63/94/388376394.db2.gz YQSCIQZQLTVCIM-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]1CC)[NH+](C)C ZINC000572790984 326411222 /nfs/dbraw/zinc/41/12/22/326411222.db2.gz YQSCIQZQLTVCIM-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@H]1CC[C@H]1CC)[NH+](C)C ZINC000572790985 388376349 /nfs/dbraw/zinc/37/63/49/388376349.db2.gz YQSCIQZQLTVCIM-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CC[C@H]1CC)[NH+](C)C ZINC000572790986 388376437 /nfs/dbraw/zinc/37/64/37/388376437.db2.gz YQSCIQZQLTVCIM-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000572831666 388379765 /nfs/dbraw/zinc/37/97/65/388379765.db2.gz IYXZVCSGFFZZPI-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000572831667 388379759 /nfs/dbraw/zinc/37/97/59/388379759.db2.gz IYXZVCSGFFZZPI-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000572831668 388379907 /nfs/dbraw/zinc/37/99/07/388379907.db2.gz IYXZVCSGFFZZPI-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC000572831669 388379411 /nfs/dbraw/zinc/37/94/11/388379411.db2.gz IYXZVCSGFFZZPI-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000573143539 388424038 /nfs/dbraw/zinc/42/40/38/388424038.db2.gz PEEMOKHEXCTOBE-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000573143539 388424036 /nfs/dbraw/zinc/42/40/36/388424036.db2.gz PEEMOKHEXCTOBE-KFWWJZLASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000573143540 388424019 /nfs/dbraw/zinc/42/40/19/388424019.db2.gz PEEMOKHEXCTOBE-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000573143540 388424018 /nfs/dbraw/zinc/42/40/18/388424018.db2.gz PEEMOKHEXCTOBE-RBSFLKMASA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000573143541 388424420 /nfs/dbraw/zinc/42/44/20/388424420.db2.gz PEEMOKHEXCTOBE-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000573143541 388424418 /nfs/dbraw/zinc/42/44/18/388424418.db2.gz PEEMOKHEXCTOBE-RRFJBIMHSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000573143542 388423091 /nfs/dbraw/zinc/42/30/91/388423091.db2.gz PEEMOKHEXCTOBE-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000573143542 388423088 /nfs/dbraw/zinc/42/30/88/388423088.db2.gz PEEMOKHEXCTOBE-ZNMIVQPWSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(CC)[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000573693856 364894931 /nfs/dbraw/zinc/89/49/31/364894931.db2.gz SHKQUAYFULZLNT-CHWSQXEVSA-N 2 1 238.419 3.028 20 0 BGADMP CCC(CC)[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000573693857 364894672 /nfs/dbraw/zinc/89/46/72/364894672.db2.gz SHKQUAYFULZLNT-OLZOCXBDSA-N 2 1 238.419 3.028 20 0 BGADMP CCC(CC)[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000573693858 364894944 /nfs/dbraw/zinc/89/49/44/364894944.db2.gz SHKQUAYFULZLNT-QWHCGFSZSA-N 2 1 238.419 3.028 20 0 BGADMP CCC(CC)[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000573693859 364895154 /nfs/dbraw/zinc/89/51/54/364895154.db2.gz SHKQUAYFULZLNT-STQMWFEESA-N 2 1 238.419 3.028 20 0 BGADMP Cc1cnccc1CC[N@H+](C)[C@H](C)c1ccco1 ZINC000573839133 364928690 /nfs/dbraw/zinc/92/86/90/364928690.db2.gz ONIRJYNJSQQJCG-CYBMUJFWSA-N 2 1 244.338 3.219 20 0 BGADMP Cc1cnccc1CC[N@H+](C)[C@@H](C)c1ccco1 ZINC000573839134 364928216 /nfs/dbraw/zinc/92/82/16/364928216.db2.gz ONIRJYNJSQQJCG-ZDUSSCGKSA-N 2 1 244.338 3.219 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000574441651 365062349 /nfs/dbraw/zinc/06/23/49/365062349.db2.gz BELUGQLEVXKYRF-HZSPNIEDSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000574441651 365062344 /nfs/dbraw/zinc/06/23/44/365062344.db2.gz BELUGQLEVXKYRF-HZSPNIEDSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000574441652 365061628 /nfs/dbraw/zinc/06/16/28/365061628.db2.gz BELUGQLEVXKYRF-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000574441652 365061623 /nfs/dbraw/zinc/06/16/23/365061623.db2.gz BELUGQLEVXKYRF-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000574441653 365062041 /nfs/dbraw/zinc/06/20/41/365062041.db2.gz BELUGQLEVXKYRF-MGPQQGTHSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000574441653 365062037 /nfs/dbraw/zinc/06/20/37/365062037.db2.gz BELUGQLEVXKYRF-MGPQQGTHSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000574441654 365062372 /nfs/dbraw/zinc/06/23/72/365062372.db2.gz BELUGQLEVXKYRF-RDBSUJKOSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000574441654 365062368 /nfs/dbraw/zinc/06/23/68/365062368.db2.gz BELUGQLEVXKYRF-RDBSUJKOSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC12CC2 ZINC000574531979 365085139 /nfs/dbraw/zinc/08/51/39/365085139.db2.gz HUIBLHJOYHDWGK-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC12CC2 ZINC000574531979 365085133 /nfs/dbraw/zinc/08/51/33/365085133.db2.gz HUIBLHJOYHDWGK-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC12CC2 ZINC000574531989 365084890 /nfs/dbraw/zinc/08/48/90/365084890.db2.gz HUIBLHJOYHDWGK-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC12CC2 ZINC000574531989 365084883 /nfs/dbraw/zinc/08/48/83/365084883.db2.gz HUIBLHJOYHDWGK-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CC1(C)CC1 ZINC000574817037 365151660 /nfs/dbraw/zinc/15/16/60/365151660.db2.gz LPOBMVLTRIGVIC-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CC1(C)CC1 ZINC000574817038 365151808 /nfs/dbraw/zinc/15/18/08/365151808.db2.gz LPOBMVLTRIGVIC-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000575168329 365225837 /nfs/dbraw/zinc/22/58/37/365225837.db2.gz KHYUDTBHZIACHW-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000575168329 365225830 /nfs/dbraw/zinc/22/58/30/365225830.db2.gz KHYUDTBHZIACHW-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000575168330 365224988 /nfs/dbraw/zinc/22/49/88/365224988.db2.gz KHYUDTBHZIACHW-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000575168330 365224984 /nfs/dbraw/zinc/22/49/84/365224984.db2.gz KHYUDTBHZIACHW-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000575168331 365225531 /nfs/dbraw/zinc/22/55/31/365225531.db2.gz KHYUDTBHZIACHW-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000575168331 365225527 /nfs/dbraw/zinc/22/55/27/365225527.db2.gz KHYUDTBHZIACHW-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000575168332 365226040 /nfs/dbraw/zinc/22/60/40/365226040.db2.gz KHYUDTBHZIACHW-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000575168332 365226036 /nfs/dbraw/zinc/22/60/36/365226036.db2.gz KHYUDTBHZIACHW-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000575240399 365265556 /nfs/dbraw/zinc/26/55/56/365265556.db2.gz ZKSJPKKORNLYOG-KBXIAJHMSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000575240399 365265553 /nfs/dbraw/zinc/26/55/53/365265553.db2.gz ZKSJPKKORNLYOG-KBXIAJHMSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000575240400 365265425 /nfs/dbraw/zinc/26/54/25/365265425.db2.gz ZKSJPKKORNLYOG-TUVASFSCSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000575240400 365265421 /nfs/dbraw/zinc/26/54/21/365265421.db2.gz ZKSJPKKORNLYOG-TUVASFSCSA-N 2 1 240.435 3.129 20 0 BGADMP Cc1ccncc1CCC[N@H+](C)CC1CCCC1 ZINC000576074034 365474684 /nfs/dbraw/zinc/47/46/84/365474684.db2.gz YUBDLSSYHFYQAN-UHFFFAOYSA-N 2 1 246.398 3.445 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000576179468 365511991 /nfs/dbraw/zinc/51/19/91/365511991.db2.gz LCOQDMVEJGDBGZ-CABCVRRESA-N 2 1 238.419 3.195 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000576179468 365511987 /nfs/dbraw/zinc/51/19/87/365511987.db2.gz LCOQDMVEJGDBGZ-CABCVRRESA-N 2 1 238.419 3.195 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000576179469 365511321 /nfs/dbraw/zinc/51/13/21/365511321.db2.gz LCOQDMVEJGDBGZ-HUUCEWRRSA-N 2 1 238.419 3.195 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000576179469 365511317 /nfs/dbraw/zinc/51/13/17/365511317.db2.gz LCOQDMVEJGDBGZ-HUUCEWRRSA-N 2 1 238.419 3.195 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@H]1CCCC12CC2)C(C)C ZINC000576241554 343725614 /nfs/dbraw/zinc/72/56/14/343725614.db2.gz AAIURMJUOZNKAN-AWEZNQCLSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC12CC2)C(C)C ZINC000576241557 343725747 /nfs/dbraw/zinc/72/57/47/343725747.db2.gz AAIURMJUOZNKAN-CQSZACIVSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000576665483 365653392 /nfs/dbraw/zinc/65/33/92/365653392.db2.gz SGRDATNRLPPCRB-GUTXKFCHSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000576665486 365653416 /nfs/dbraw/zinc/65/34/16/365653416.db2.gz SGRDATNRLPPCRB-GZBFAFLISA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000576665487 365654078 /nfs/dbraw/zinc/65/40/78/365654078.db2.gz SGRDATNRLPPCRB-KCQAQPDRSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000576665488 365653442 /nfs/dbraw/zinc/65/34/42/365653442.db2.gz SGRDATNRLPPCRB-YDHLFZDLSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000576903703 365718931 /nfs/dbraw/zinc/71/89/31/365718931.db2.gz OWUKWPHMKZSCAD-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000576903704 365719017 /nfs/dbraw/zinc/71/90/17/365719017.db2.gz OWUKWPHMKZSCAD-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000576903705 365718140 /nfs/dbraw/zinc/71/81/40/365718140.db2.gz OWUKWPHMKZSCAD-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000576903706 365718638 /nfs/dbraw/zinc/71/86/38/365718638.db2.gz OWUKWPHMKZSCAD-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]CC1(C)CC1 ZINC000577039322 365783182 /nfs/dbraw/zinc/78/31/82/365783182.db2.gz DAWDHZJYXJDIQK-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]CC1(C)CC1 ZINC000577039322 365783177 /nfs/dbraw/zinc/78/31/77/365783177.db2.gz DAWDHZJYXJDIQK-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000577039323 365783587 /nfs/dbraw/zinc/78/35/87/365783587.db2.gz DAWDHZJYXJDIQK-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000577039323 365783584 /nfs/dbraw/zinc/78/35/84/365783584.db2.gz DAWDHZJYXJDIQK-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCCCCC1 ZINC000577107083 365818949 /nfs/dbraw/zinc/81/89/49/365818949.db2.gz GDXQEYRQJQJSFU-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCCCCC1 ZINC000577107083 365818943 /nfs/dbraw/zinc/81/89/43/365818943.db2.gz GDXQEYRQJQJSFU-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCC(CC)[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000577221344 365887845 /nfs/dbraw/zinc/88/78/45/365887845.db2.gz HNKWTQKCDJEAIO-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1cccc2c1cc[nH+]c2N[C@H](C)CCC[NH3+] ZINC000577221490 365888259 /nfs/dbraw/zinc/88/82/59/365888259.db2.gz RBVSIGHIRFYQNQ-GFCCVEGCSA-N 2 1 243.354 3.083 20 0 BGADMP Cc1cccc2c1cc[nH+]c2N[C@@H](C)CCC[NH3+] ZINC000577221491 343935115 /nfs/dbraw/zinc/93/51/15/343935115.db2.gz RBVSIGHIRFYQNQ-LBPRGKRZSA-N 2 1 243.354 3.083 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000577543461 365982832 /nfs/dbraw/zinc/98/28/32/365982832.db2.gz YJNIYKPPDRDBAY-CABCVRRESA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000577543461 365982825 /nfs/dbraw/zinc/98/28/25/365982825.db2.gz YJNIYKPPDRDBAY-CABCVRRESA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000577543462 365982284 /nfs/dbraw/zinc/98/22/84/365982284.db2.gz YJNIYKPPDRDBAY-GJZGRUSLSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000577543462 365982278 /nfs/dbraw/zinc/98/22/78/365982278.db2.gz YJNIYKPPDRDBAY-GJZGRUSLSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000578124549 366282033 /nfs/dbraw/zinc/28/20/33/366282033.db2.gz JUTXZPLHNJNHSL-KKUMJFAQSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000578124550 366282606 /nfs/dbraw/zinc/28/26/06/366282606.db2.gz JUTXZPLHNJNHSL-RRFJBIMHSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000578124551 366282655 /nfs/dbraw/zinc/28/26/55/366282655.db2.gz JUTXZPLHNJNHSL-SOUVJXGZSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000578124552 366281711 /nfs/dbraw/zinc/28/17/11/366281711.db2.gz JUTXZPLHNJNHSL-ZNMIVQPWSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000578286096 366474618 /nfs/dbraw/zinc/47/46/18/366474618.db2.gz GFDWFIZDARCKNJ-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000578286096 366474612 /nfs/dbraw/zinc/47/46/12/366474612.db2.gz GFDWFIZDARCKNJ-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000578286097 366474713 /nfs/dbraw/zinc/47/47/13/366474713.db2.gz GFDWFIZDARCKNJ-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000578286097 366474711 /nfs/dbraw/zinc/47/47/11/366474711.db2.gz GFDWFIZDARCKNJ-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000578684354 366627228 /nfs/dbraw/zinc/62/72/28/366627228.db2.gz BWFZRSCHLSHNIC-APIJFGDWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000578684354 366627221 /nfs/dbraw/zinc/62/72/21/366627221.db2.gz BWFZRSCHLSHNIC-APIJFGDWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000578684360 366627381 /nfs/dbraw/zinc/62/73/81/366627381.db2.gz BWFZRSCHLSHNIC-CBBWQLFWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000578684360 366627374 /nfs/dbraw/zinc/62/73/74/366627374.db2.gz BWFZRSCHLSHNIC-CBBWQLFWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000578684361 366626949 /nfs/dbraw/zinc/62/69/49/366626949.db2.gz BWFZRSCHLSHNIC-KBXIAJHMSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000578684361 366626945 /nfs/dbraw/zinc/62/69/45/366626945.db2.gz BWFZRSCHLSHNIC-KBXIAJHMSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000578684362 366626696 /nfs/dbraw/zinc/62/66/96/366626696.db2.gz BWFZRSCHLSHNIC-QPSCCSFWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000578684362 366626692 /nfs/dbraw/zinc/62/66/92/366626692.db2.gz BWFZRSCHLSHNIC-QPSCCSFWSA-N 2 1 240.435 3.129 20 0 BGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)C(C)C ZINC000578761487 366642664 /nfs/dbraw/zinc/64/26/64/366642664.db2.gz HTRDEUORUJVQNW-UHFFFAOYSA-N 2 1 237.391 3.092 20 0 BGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)C(C)C ZINC000578761487 366642660 /nfs/dbraw/zinc/64/26/60/366642660.db2.gz HTRDEUORUJVQNW-UHFFFAOYSA-N 2 1 237.391 3.092 20 0 BGADMP CC1(C)CCC[C@H]([NH2+]CCC[NH+]2CCC2)CC1 ZINC000579733160 366998693 /nfs/dbraw/zinc/99/86/93/366998693.db2.gz IJFWVXHNBPZJCN-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CC1(C)CCC[C@@H]([NH2+]CCC[NH+]2CCC2)CC1 ZINC000579733161 366998455 /nfs/dbraw/zinc/99/84/55/366998455.db2.gz IJFWVXHNBPZJCN-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CC[NH+](CC)[C@H](C[NH2+]CC1(C)CC1)CC(C)C ZINC000579787045 367006346 /nfs/dbraw/zinc/00/63/46/367006346.db2.gz CZIDPCHTMFMDSD-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP CC[NH+](CC)[C@@H](C[NH2+]CC1(C)CC1)CC(C)C ZINC000579787046 367006948 /nfs/dbraw/zinc/00/69/48/367006948.db2.gz CZIDPCHTMFMDSD-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000580131634 346547350 /nfs/dbraw/zinc/54/73/50/346547350.db2.gz ABVFDQYPJTYUHA-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000580131634 346547347 /nfs/dbraw/zinc/54/73/47/346547347.db2.gz ABVFDQYPJTYUHA-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000580131635 346547374 /nfs/dbraw/zinc/54/73/74/346547374.db2.gz ABVFDQYPJTYUHA-KKUMJFAQSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000580131635 346547373 /nfs/dbraw/zinc/54/73/73/346547373.db2.gz ABVFDQYPJTYUHA-KKUMJFAQSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000580131636 346546834 /nfs/dbraw/zinc/54/68/34/346546834.db2.gz ABVFDQYPJTYUHA-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000580131636 346546831 /nfs/dbraw/zinc/54/68/31/346546831.db2.gz ABVFDQYPJTYUHA-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000580131637 346547113 /nfs/dbraw/zinc/54/71/13/346547113.db2.gz ABVFDQYPJTYUHA-SOUVJXGZSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000580131637 346547112 /nfs/dbraw/zinc/54/71/12/346547112.db2.gz ABVFDQYPJTYUHA-SOUVJXGZSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000580131832 346547307 /nfs/dbraw/zinc/54/73/07/346547307.db2.gz GFDWFIZDARCKNJ-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000580131832 346547303 /nfs/dbraw/zinc/54/73/03/346547303.db2.gz GFDWFIZDARCKNJ-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000580131834 346547331 /nfs/dbraw/zinc/54/73/31/346547331.db2.gz GFDWFIZDARCKNJ-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000580131834 346547328 /nfs/dbraw/zinc/54/73/28/346547328.db2.gz GFDWFIZDARCKNJ-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC12CC2 ZINC000580902461 398250811 /nfs/dbraw/zinc/25/08/11/398250811.db2.gz HUIBLHJOYHDWGK-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC12CC2 ZINC000580902461 398250808 /nfs/dbraw/zinc/25/08/08/398250808.db2.gz HUIBLHJOYHDWGK-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC12CC2 ZINC000580902464 398250850 /nfs/dbraw/zinc/25/08/50/398250850.db2.gz HUIBLHJOYHDWGK-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC12CC2 ZINC000580902464 398250849 /nfs/dbraw/zinc/25/08/49/398250849.db2.gz HUIBLHJOYHDWGK-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000581101430 367262733 /nfs/dbraw/zinc/26/27/33/367262733.db2.gz GBPJGAHGNPBQRV-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000581101430 367262725 /nfs/dbraw/zinc/26/27/25/367262725.db2.gz GBPJGAHGNPBQRV-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000581101431 367262701 /nfs/dbraw/zinc/26/27/01/367262701.db2.gz GBPJGAHGNPBQRV-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000581101431 367262697 /nfs/dbraw/zinc/26/26/97/367262697.db2.gz GBPJGAHGNPBQRV-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000581458951 367479790 /nfs/dbraw/zinc/47/97/90/367479790.db2.gz SRUHFUUABKDODE-IHRRRGAJSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000581458951 367479782 /nfs/dbraw/zinc/47/97/82/367479782.db2.gz SRUHFUUABKDODE-IHRRRGAJSA-N 2 1 240.435 3.129 20 0 BGADMP CC[N@@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000582189070 355694513 /nfs/dbraw/zinc/69/45/13/355694513.db2.gz DXMSMNAACQJACA-UHFFFAOYSA-N 2 1 249.402 3.007 20 0 BGADMP CC[N@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000582189070 355694511 /nfs/dbraw/zinc/69/45/11/355694511.db2.gz DXMSMNAACQJACA-UHFFFAOYSA-N 2 1 249.402 3.007 20 0 BGADMP CCC(CC)[N@@H+](CC)CCC[NH+](CC)CC ZINC000582264824 356964965 /nfs/dbraw/zinc/96/49/65/356964965.db2.gz AVWWVVYPWKKEJZ-UHFFFAOYSA-N 2 1 228.424 3.229 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000582270688 356988585 /nfs/dbraw/zinc/98/85/85/356988585.db2.gz PEEMOKHEXCTOBE-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000582270688 356988582 /nfs/dbraw/zinc/98/85/82/356988582.db2.gz PEEMOKHEXCTOBE-ILXRZTDVSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000582270689 356988538 /nfs/dbraw/zinc/98/85/38/356988538.db2.gz PEEMOKHEXCTOBE-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000582270689 356988535 /nfs/dbraw/zinc/98/85/35/356988535.db2.gz PEEMOKHEXCTOBE-KKUMJFAQSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000582270690 356988377 /nfs/dbraw/zinc/98/83/77/356988377.db2.gz PEEMOKHEXCTOBE-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000582270690 356988375 /nfs/dbraw/zinc/98/83/75/356988375.db2.gz PEEMOKHEXCTOBE-QLFBSQMISA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000582270691 356988527 /nfs/dbraw/zinc/98/85/27/356988527.db2.gz PEEMOKHEXCTOBE-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000582270691 356988525 /nfs/dbraw/zinc/98/85/25/356988525.db2.gz PEEMOKHEXCTOBE-SOUVJXGZSA-N 2 1 240.435 3.275 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC000582330372 357067616 /nfs/dbraw/zinc/06/76/16/357067616.db2.gz ONNIOLAXTDNZGZ-UONOGXRCSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC1CCCC1 ZINC000582330372 357067614 /nfs/dbraw/zinc/06/76/14/357067614.db2.gz ONNIOLAXTDNZGZ-UONOGXRCSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC000582330373 357068000 /nfs/dbraw/zinc/06/80/00/357068000.db2.gz ONNIOLAXTDNZGZ-ZIAGYGMSSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CC1CCCC1 ZINC000582330373 357067997 /nfs/dbraw/zinc/06/79/97/357067997.db2.gz ONNIOLAXTDNZGZ-ZIAGYGMSSA-N 2 1 240.435 3.274 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCCCCC1 ZINC000582634578 357355607 /nfs/dbraw/zinc/35/56/07/357355607.db2.gz ASSDZPHKNBWGCT-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCCCCC1 ZINC000582634578 357355603 /nfs/dbraw/zinc/35/56/03/357355603.db2.gz ASSDZPHKNBWGCT-AWEZNQCLSA-N 2 1 240.435 3.419 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000582875162 357416959 /nfs/dbraw/zinc/41/69/59/357416959.db2.gz LHEGMHDODVGPSF-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000582875162 357416955 /nfs/dbraw/zinc/41/69/55/357416955.db2.gz LHEGMHDODVGPSF-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000582875163 357416781 /nfs/dbraw/zinc/41/67/81/357416781.db2.gz LHEGMHDODVGPSF-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000582875163 357416778 /nfs/dbraw/zinc/41/67/78/357416778.db2.gz LHEGMHDODVGPSF-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000582875164 357417053 /nfs/dbraw/zinc/41/70/53/357417053.db2.gz LHEGMHDODVGPSF-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000582875164 357417049 /nfs/dbraw/zinc/41/70/49/357417049.db2.gz LHEGMHDODVGPSF-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000582875165 357416663 /nfs/dbraw/zinc/41/66/63/357416663.db2.gz LHEGMHDODVGPSF-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000582875165 357416657 /nfs/dbraw/zinc/41/66/57/357416657.db2.gz LHEGMHDODVGPSF-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000583233290 357655969 /nfs/dbraw/zinc/65/59/69/357655969.db2.gz CFMHGUCXZPJJPH-HUUCEWRRSA-N 2 1 240.435 3.440 20 0 BGADMP CC(C)=CCC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000583233290 357655965 /nfs/dbraw/zinc/65/59/65/357655965.db2.gz CFMHGUCXZPJJPH-HUUCEWRRSA-N 2 1 240.435 3.440 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000583233291 357655657 /nfs/dbraw/zinc/65/56/57/357655657.db2.gz CFMHGUCXZPJJPH-LSDHHAIUSA-N 2 1 240.435 3.440 20 0 BGADMP CC(C)=CCC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000583233291 357655652 /nfs/dbraw/zinc/65/56/52/357655652.db2.gz CFMHGUCXZPJJPH-LSDHHAIUSA-N 2 1 240.435 3.440 20 0 BGADMP CC[C@@H]1[C@H](C)CC[N@H+]1CCCc1cnccc1C ZINC000583289687 357848716 /nfs/dbraw/zinc/84/87/16/357848716.db2.gz NGWJKQDUCSYROG-GDBMZVCRSA-N 2 1 246.398 3.443 20 0 BGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CCCc1cnccc1C ZINC000583289688 357848666 /nfs/dbraw/zinc/84/86/66/357848666.db2.gz NGWJKQDUCSYROG-GOEBONIOSA-N 2 1 246.398 3.443 20 0 BGADMP CC[C@H]1[C@@H](C)CC[N@H+]1CCCc1cnccc1C ZINC000583289689 357848742 /nfs/dbraw/zinc/84/87/42/357848742.db2.gz NGWJKQDUCSYROG-HOCLYGCPSA-N 2 1 246.398 3.443 20 0 BGADMP CC[C@H]1[C@H](C)CC[N@H+]1CCCc1cnccc1C ZINC000583289690 357848305 /nfs/dbraw/zinc/84/83/05/357848305.db2.gz NGWJKQDUCSYROG-ZBFHGGJFSA-N 2 1 246.398 3.443 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000583315131 357896379 /nfs/dbraw/zinc/89/63/79/357896379.db2.gz OMWQQIDYNSBUQI-HZSPNIEDSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000583315131 357896376 /nfs/dbraw/zinc/89/63/76/357896376.db2.gz OMWQQIDYNSBUQI-HZSPNIEDSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000583315132 357896559 /nfs/dbraw/zinc/89/65/59/357896559.db2.gz OMWQQIDYNSBUQI-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000583315132 357896556 /nfs/dbraw/zinc/89/65/56/357896556.db2.gz OMWQQIDYNSBUQI-MCIONIFRSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000583315133 357896431 /nfs/dbraw/zinc/89/64/31/357896431.db2.gz OMWQQIDYNSBUQI-MGPQQGTHSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000583315133 357896427 /nfs/dbraw/zinc/89/64/27/357896427.db2.gz OMWQQIDYNSBUQI-MGPQQGTHSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000583315134 357896775 /nfs/dbraw/zinc/89/67/75/357896775.db2.gz OMWQQIDYNSBUQI-RDBSUJKOSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000583315134 357896773 /nfs/dbraw/zinc/89/67/73/357896773.db2.gz OMWQQIDYNSBUQI-RDBSUJKOSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000584321436 346180852 /nfs/dbraw/zinc/18/08/52/346180852.db2.gz VEJQGLDKAKIGMF-APIJFGDWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000584321436 346180850 /nfs/dbraw/zinc/18/08/50/346180850.db2.gz VEJQGLDKAKIGMF-APIJFGDWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000584321437 346181100 /nfs/dbraw/zinc/18/11/00/346181100.db2.gz VEJQGLDKAKIGMF-CBBWQLFWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000584321437 346181097 /nfs/dbraw/zinc/18/10/97/346181097.db2.gz VEJQGLDKAKIGMF-CBBWQLFWSA-N 2 1 240.435 3.129 20 0 BGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000584426883 357919098 /nfs/dbraw/zinc/91/90/98/357919098.db2.gz UYXDYXFCFDCJNI-CABCVRRESA-N 2 1 240.435 3.085 20 0 BGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000584426884 357919467 /nfs/dbraw/zinc/91/94/67/357919467.db2.gz UYXDYXFCFDCJNI-GJZGRUSLSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000584426885 357918861 /nfs/dbraw/zinc/91/88/61/357918861.db2.gz UYXDYXFCFDCJNI-HUUCEWRRSA-N 2 1 240.435 3.085 20 0 BGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000584426886 357918916 /nfs/dbraw/zinc/91/89/16/357918916.db2.gz UYXDYXFCFDCJNI-LSDHHAIUSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+](CC)[C@H](C[NH2+]CC(C)(C)C)CC(C)C ZINC000589640407 346720802 /nfs/dbraw/zinc/72/08/02/346720802.db2.gz RFPLAVFRGYMNAC-AWEZNQCLSA-N 2 1 242.451 3.379 20 0 BGADMP CC[NH+](CC)[C@@H](C[NH2+]CC(C)(C)C)CC(C)C ZINC000589640409 346721445 /nfs/dbraw/zinc/72/14/45/346721445.db2.gz RFPLAVFRGYMNAC-CQSZACIVSA-N 2 1 242.451 3.379 20 0 BGADMP CC(C)=CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786985 347557089 /nfs/dbraw/zinc/55/70/89/347557089.db2.gz PWJFIHCGBJQCSA-UHFFFAOYSA-N 2 1 238.419 3.005 20 0 BGADMP CC[NH+](CC)CCC[N@@H+](C)CCC(C)(C)C ZINC000602872585 349804182 /nfs/dbraw/zinc/80/41/82/349804182.db2.gz ZDMXTBCZASHRSP-UHFFFAOYSA-N 2 1 228.424 3.086 20 0 BGADMP CCCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000605150507 350261681 /nfs/dbraw/zinc/26/16/81/350261681.db2.gz GGVZYXGPRGSPRI-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP CCC(C)(C)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000608497895 355824864 /nfs/dbraw/zinc/82/48/64/355824864.db2.gz VBEZPNWGLJEIAC-AWEZNQCLSA-N 2 1 240.435 3.086 20 0 BGADMP CCC(C)(C)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000608497895 355824861 /nfs/dbraw/zinc/82/48/61/355824861.db2.gz VBEZPNWGLJEIAC-AWEZNQCLSA-N 2 1 240.435 3.086 20 0 BGADMP CCC(C)(C)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000608497895 355824858 /nfs/dbraw/zinc/82/48/58/355824858.db2.gz VBEZPNWGLJEIAC-AWEZNQCLSA-N 2 1 240.435 3.086 20 0 BGADMP CCC(C)(C)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000608497897 355825123 /nfs/dbraw/zinc/82/51/23/355825123.db2.gz VBEZPNWGLJEIAC-CQSZACIVSA-N 2 1 240.435 3.086 20 0 BGADMP CCC(C)(C)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000608497897 355825122 /nfs/dbraw/zinc/82/51/22/355825122.db2.gz VBEZPNWGLJEIAC-CQSZACIVSA-N 2 1 240.435 3.086 20 0 BGADMP CCC(C)(C)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000608497897 355825121 /nfs/dbraw/zinc/82/51/21/355825121.db2.gz VBEZPNWGLJEIAC-CQSZACIVSA-N 2 1 240.435 3.086 20 0 BGADMP CCC(C)(C)CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000608563014 355860949 /nfs/dbraw/zinc/86/09/49/355860949.db2.gz OSCOLKTYCFRMLD-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(C)(C)CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000608563014 355860945 /nfs/dbraw/zinc/86/09/45/355860945.db2.gz OSCOLKTYCFRMLD-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(C)(C)CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000608563015 355860795 /nfs/dbraw/zinc/86/07/95/355860795.db2.gz OSCOLKTYCFRMLD-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(C)(C)CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000608563015 355860793 /nfs/dbraw/zinc/86/07/93/355860793.db2.gz OSCOLKTYCFRMLD-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335986 356720483 /nfs/dbraw/zinc/72/04/83/356720483.db2.gz PIAOHAVEJDXUAX-HZSPNIEDSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335987 356720703 /nfs/dbraw/zinc/72/07/03/356720703.db2.gz PIAOHAVEJDXUAX-MCIONIFRSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335988 356720288 /nfs/dbraw/zinc/72/02/88/356720288.db2.gz PIAOHAVEJDXUAX-MGPQQGTHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335989 356720783 /nfs/dbraw/zinc/72/07/83/356720783.db2.gz PIAOHAVEJDXUAX-RDBSUJKOSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336610 356725398 /nfs/dbraw/zinc/72/53/98/356725398.db2.gz ZNIXROUHIIINPE-KBPBESRZSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336611 356725407 /nfs/dbraw/zinc/72/54/07/356725407.db2.gz ZNIXROUHIIINPE-KGLIPLIRSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336612 356724840 /nfs/dbraw/zinc/72/48/40/356724840.db2.gz ZNIXROUHIIINPE-UONOGXRCSA-N 2 1 240.435 3.274 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336613 356724722 /nfs/dbraw/zinc/72/47/22/356724722.db2.gz ZNIXROUHIIINPE-ZIAGYGMSSA-N 2 1 240.435 3.274 20 0 BGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCCC2)CC1(C)C ZINC000623346284 356753702 /nfs/dbraw/zinc/75/37/02/356753702.db2.gz LBDOJBAXJZTRMX-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CC[C@@H]([NH2+]CCC2CCCC2)CC1(C)C ZINC000623346285 356753639 /nfs/dbraw/zinc/75/36/39/356753639.db2.gz LBDOJBAXJZTRMX-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623348873 356764720 /nfs/dbraw/zinc/76/47/20/356764720.db2.gz NYCQYSAPGASOCZ-HZSPNIEDSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623348874 356764641 /nfs/dbraw/zinc/76/46/41/356764641.db2.gz NYCQYSAPGASOCZ-MCIONIFRSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623348875 356764709 /nfs/dbraw/zinc/76/47/09/356764709.db2.gz NYCQYSAPGASOCZ-MGPQQGTHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623348876 356764548 /nfs/dbraw/zinc/76/45/48/356764548.db2.gz NYCQYSAPGASOCZ-RDBSUJKOSA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623404244 357081254 /nfs/dbraw/zinc/08/12/54/357081254.db2.gz VMRGLTNNSDGUJY-CHWSQXEVSA-N 2 1 226.408 3.028 20 0 BGADMP CCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623404245 357081260 /nfs/dbraw/zinc/08/12/60/357081260.db2.gz VMRGLTNNSDGUJY-OLZOCXBDSA-N 2 1 226.408 3.028 20 0 BGADMP CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623404246 357081247 /nfs/dbraw/zinc/08/12/47/357081247.db2.gz VMRGLTNNSDGUJY-QWHCGFSZSA-N 2 1 226.408 3.028 20 0 BGADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623404247 357081289 /nfs/dbraw/zinc/08/12/89/357081289.db2.gz VMRGLTNNSDGUJY-STQMWFEESA-N 2 1 226.408 3.028 20 0 BGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CCCC2)CC1(C)C ZINC000623410714 357512472 /nfs/dbraw/zinc/51/24/72/357512472.db2.gz BWNLMOPHNAFEQX-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCCC2)CC1(C)C ZINC000623410715 357512849 /nfs/dbraw/zinc/51/28/49/357512849.db2.gz BWNLMOPHNAFEQX-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623411050 357512809 /nfs/dbraw/zinc/51/28/09/357512809.db2.gz QVICQXHENFKLTO-IHRRRGAJSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623411051 357513154 /nfs/dbraw/zinc/51/31/54/357513154.db2.gz QVICQXHENFKLTO-MGPQQGTHSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623419289 358081340 /nfs/dbraw/zinc/08/13/40/358081340.db2.gz BUVHTUSZMUYJMH-GXTWGEPZSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623419290 358081661 /nfs/dbraw/zinc/08/16/61/358081661.db2.gz BUVHTUSZMUYJMH-JSGCOSHPSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623419291 358081566 /nfs/dbraw/zinc/08/15/66/358081566.db2.gz BUVHTUSZMUYJMH-OCCSQVGLSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623419292 358081703 /nfs/dbraw/zinc/08/17/03/358081703.db2.gz BUVHTUSZMUYJMH-TZMCWYRMSA-N 2 1 238.419 3.028 20 0 BGADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C)CC1(C)C ZINC000623428048 358438981 /nfs/dbraw/zinc/43/89/81/358438981.db2.gz YBMAFLHEQRKRCW-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1(C)C ZINC000623428049 358439039 /nfs/dbraw/zinc/43/90/39/358439039.db2.gz YBMAFLHEQRKRCW-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432866 358946231 /nfs/dbraw/zinc/94/62/31/358946231.db2.gz OCIMQYLVHJFFFQ-BFHYXJOUSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432867 358946153 /nfs/dbraw/zinc/94/61/53/358946153.db2.gz OCIMQYLVHJFFFQ-IHRRRGAJSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432868 358946134 /nfs/dbraw/zinc/94/61/34/358946134.db2.gz OCIMQYLVHJFFFQ-MELADBBJSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432869 358946103 /nfs/dbraw/zinc/94/61/03/358946103.db2.gz OCIMQYLVHJFFFQ-MJBXVCDLSA-N 2 1 240.435 3.274 20 0 BGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC2(C)C)CC1(C)C ZINC000623441306 359334037 /nfs/dbraw/zinc/33/40/37/359334037.db2.gz LZTNELSYNAOLRG-CHWSQXEVSA-N 2 1 238.419 3.028 20 0 BGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC2(C)C)CC1(C)C ZINC000623441307 359333942 /nfs/dbraw/zinc/33/39/42/359333942.db2.gz LZTNELSYNAOLRG-OLZOCXBDSA-N 2 1 238.419 3.028 20 0 BGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC2(C)C)CC1(C)C ZINC000623441308 359334355 /nfs/dbraw/zinc/33/43/55/359334355.db2.gz LZTNELSYNAOLRG-QWHCGFSZSA-N 2 1 238.419 3.028 20 0 BGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCC2(C)C)CC1(C)C ZINC000623441309 359334076 /nfs/dbraw/zinc/33/40/76/359334076.db2.gz LZTNELSYNAOLRG-STQMWFEESA-N 2 1 238.419 3.028 20 0 BGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623442158 359335395 /nfs/dbraw/zinc/33/53/95/359335395.db2.gz BHUJQIQJXJGXKK-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623442159 359334940 /nfs/dbraw/zinc/33/49/40/359334940.db2.gz BHUJQIQJXJGXKK-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623445482 398130963 /nfs/dbraw/zinc/13/09/63/398130963.db2.gz SJNMKZNUCLIKRB-HZSPNIEDSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623445483 398130946 /nfs/dbraw/zinc/13/09/46/398130946.db2.gz SJNMKZNUCLIKRB-MCIONIFRSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623445484 398130949 /nfs/dbraw/zinc/13/09/49/398130949.db2.gz SJNMKZNUCLIKRB-MGPQQGTHSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623445485 398130979 /nfs/dbraw/zinc/13/09/79/398130979.db2.gz SJNMKZNUCLIKRB-RDBSUJKOSA-N 2 1 238.419 3.028 20 0 BGADMP CCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623447467 359339882 /nfs/dbraw/zinc/33/98/82/359339882.db2.gz SDIWQZQHXJMZRH-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623447468 359339826 /nfs/dbraw/zinc/33/98/26/359339826.db2.gz SDIWQZQHXJMZRH-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)C([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623454488 359618183 /nfs/dbraw/zinc/61/81/83/359618183.db2.gz GVKGEGRVLNQJIZ-CYBMUJFWSA-N 2 1 240.435 3.129 20 0 BGADMP CC(C)C([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623454489 359618266 /nfs/dbraw/zinc/61/82/66/359618266.db2.gz GVKGEGRVLNQJIZ-ZDUSSCGKSA-N 2 1 240.435 3.129 20 0 BGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)CC1(C)C ZINC000623480974 360444069 /nfs/dbraw/zinc/44/40/69/360444069.db2.gz OSCKYNQXSHEYIQ-CHWSQXEVSA-N 2 1 238.419 3.028 20 0 BGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)CC1(C)C ZINC000623480975 360444214 /nfs/dbraw/zinc/44/42/14/360444214.db2.gz OSCKYNQXSHEYIQ-OLZOCXBDSA-N 2 1 238.419 3.028 20 0 BGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)CC1(C)C ZINC000623480976 360443702 /nfs/dbraw/zinc/44/37/02/360443702.db2.gz OSCKYNQXSHEYIQ-QWHCGFSZSA-N 2 1 238.419 3.028 20 0 BGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)CC1(C)C ZINC000623480977 360443988 /nfs/dbraw/zinc/44/39/88/360443988.db2.gz OSCKYNQXSHEYIQ-STQMWFEESA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494469 362918941 /nfs/dbraw/zinc/91/89/41/362918941.db2.gz RBWTWLMGOAOCAI-GXTWGEPZSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494470 362918432 /nfs/dbraw/zinc/91/84/32/362918432.db2.gz RBWTWLMGOAOCAI-JSGCOSHPSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494471 362918580 /nfs/dbraw/zinc/91/85/80/362918580.db2.gz RBWTWLMGOAOCAI-OCCSQVGLSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494472 362918723 /nfs/dbraw/zinc/91/87/23/362918723.db2.gz RBWTWLMGOAOCAI-TZMCWYRMSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623502979 362927207 /nfs/dbraw/zinc/92/72/07/362927207.db2.gz GUKSTXZAZIUHLG-CYBMUJFWSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623502980 362927331 /nfs/dbraw/zinc/92/73/31/362927331.db2.gz GUKSTXZAZIUHLG-ZDUSSCGKSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623544867 362965302 /nfs/dbraw/zinc/96/53/02/362965302.db2.gz OGEIBJPJSVRZTO-CHWSQXEVSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623544868 362964827 /nfs/dbraw/zinc/96/48/27/362964827.db2.gz OGEIBJPJSVRZTO-OLZOCXBDSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623544869 362965771 /nfs/dbraw/zinc/96/57/71/362965771.db2.gz OGEIBJPJSVRZTO-QWHCGFSZSA-N 2 1 240.435 3.274 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623544870 362965133 /nfs/dbraw/zinc/96/51/33/362965133.db2.gz OGEIBJPJSVRZTO-STQMWFEESA-N 2 1 240.435 3.274 20 0 BGADMP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623564163 362990772 /nfs/dbraw/zinc/99/07/72/362990772.db2.gz UNGIGEYOXODCKZ-CHWSQXEVSA-N 2 1 240.435 3.274 20 0 BGADMP CCC(C)(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623564164 362990789 /nfs/dbraw/zinc/99/07/89/362990789.db2.gz UNGIGEYOXODCKZ-OLZOCXBDSA-N 2 1 240.435 3.274 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623564165 362990480 /nfs/dbraw/zinc/99/04/80/362990480.db2.gz UNGIGEYOXODCKZ-QWHCGFSZSA-N 2 1 240.435 3.274 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623564166 362990614 /nfs/dbraw/zinc/99/06/14/362990614.db2.gz UNGIGEYOXODCKZ-STQMWFEESA-N 2 1 240.435 3.274 20 0 BGADMP C[N@H+]1CC[C@H]([NH2+]CCCC2CCC2)CC1(C)C ZINC000623570191 362999671 /nfs/dbraw/zinc/99/96/71/362999671.db2.gz KNHVWMJKULXBSA-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CC[C@@H]([NH2+]CCCC2CCC2)CC1(C)C ZINC000623570192 362999587 /nfs/dbraw/zinc/99/95/87/362999587.db2.gz KNHVWMJKULXBSA-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)CC1([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623573340 363002405 /nfs/dbraw/zinc/00/24/05/363002405.db2.gz FKVZPOYCGFCVDU-CYBMUJFWSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)CC1([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623573341 363002029 /nfs/dbraw/zinc/00/20/29/363002029.db2.gz FKVZPOYCGFCVDU-ZDUSSCGKSA-N 2 1 238.419 3.028 20 0 BGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000623655741 368991129 /nfs/dbraw/zinc/99/11/29/368991129.db2.gz DJOMVKMCMNNINF-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000623655742 368991646 /nfs/dbraw/zinc/99/16/46/368991646.db2.gz DJOMVKMCMNNINF-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119552 371319503 /nfs/dbraw/zinc/31/95/03/371319503.db2.gz DYTRBBFUNXVFIG-CABCVRRESA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119553 371320223 /nfs/dbraw/zinc/32/02/23/371320223.db2.gz DYTRBBFUNXVFIG-GJZGRUSLSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119554 371320139 /nfs/dbraw/zinc/32/01/39/371320139.db2.gz DYTRBBFUNXVFIG-HUUCEWRRSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119555 371319941 /nfs/dbraw/zinc/31/99/41/371319941.db2.gz DYTRBBFUNXVFIG-LSDHHAIUSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC(CCC)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119782 346654734 /nfs/dbraw/zinc/65/47/34/346654734.db2.gz JOGRANRJEKXERM-AWEZNQCLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC(CCC)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119783 346654800 /nfs/dbraw/zinc/65/48/00/346654800.db2.gz JOGRANRJEKXERM-CQSZACIVSA-N 2 1 240.435 3.277 20 0 BGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624120388 371321810 /nfs/dbraw/zinc/32/18/10/371321810.db2.gz YAZVZDLNKZRSFK-CABCVRRESA-N 2 1 246.398 3.069 20 0 BGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624120389 371321332 /nfs/dbraw/zinc/32/13/32/371321332.db2.gz YAZVZDLNKZRSFK-GJZGRUSLSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624120390 371321886 /nfs/dbraw/zinc/32/18/86/371321886.db2.gz YAZVZDLNKZRSFK-HUUCEWRRSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624120391 371321356 /nfs/dbraw/zinc/32/13/56/371321356.db2.gz YAZVZDLNKZRSFK-LSDHHAIUSA-N 2 1 246.398 3.069 20 0 BGADMP CCCC[C@H](CC)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121273 397800854 /nfs/dbraw/zinc/80/08/54/397800854.db2.gz SCPULRZMSSVXTL-CABCVRRESA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[C@H](CC)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121274 397801336 /nfs/dbraw/zinc/80/13/36/397801336.db2.gz SCPULRZMSSVXTL-GJZGRUSLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121275 397801105 /nfs/dbraw/zinc/80/11/05/397801105.db2.gz SCPULRZMSSVXTL-HUUCEWRRSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[C@@H](CC)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121276 346697921 /nfs/dbraw/zinc/69/79/21/346697921.db2.gz SCPULRZMSSVXTL-LSDHHAIUSA-N 2 1 240.435 3.277 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123714 371324481 /nfs/dbraw/zinc/32/44/81/371324481.db2.gz RJEBDIYDTMDHPG-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123715 371324771 /nfs/dbraw/zinc/32/47/71/371324771.db2.gz RJEBDIYDTMDHPG-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123716 371324119 /nfs/dbraw/zinc/32/41/19/371324119.db2.gz RJEBDIYDTMDHPG-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123717 371324698 /nfs/dbraw/zinc/32/46/98/371324698.db2.gz RJEBDIYDTMDHPG-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@@H](C)CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000625165234 342898730 /nfs/dbraw/zinc/89/87/30/342898730.db2.gz GUNGWSCNDNAVJJ-CABCVRRESA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000625165236 342898710 /nfs/dbraw/zinc/89/87/10/342898710.db2.gz GUNGWSCNDNAVJJ-GJZGRUSLSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@@H](C)CCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000625165238 342898626 /nfs/dbraw/zinc/89/86/26/342898626.db2.gz GUNGWSCNDNAVJJ-HUUCEWRRSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[C@H](C)CCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000625165239 342898726 /nfs/dbraw/zinc/89/87/26/342898726.db2.gz GUNGWSCNDNAVJJ-LSDHHAIUSA-N 2 1 240.435 3.086 20 0 BGADMP CC(C)n1cncc1C[N@H+]1CCCC2(CC2)CC1 ZINC000628480325 359318156 /nfs/dbraw/zinc/31/81/56/359318156.db2.gz QHDSJFAILXSITO-UHFFFAOYSA-N 2 1 247.386 3.230 20 0 BGADMP C[C@@H](CCC1CCCC1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410575 361060453 /nfs/dbraw/zinc/06/04/53/361060453.db2.gz HATBYSXHJRAGMS-IPYPFGDCSA-N 2 1 238.419 3.075 20 0 BGADMP C[C@H](CCC1CCCC1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410576 361060414 /nfs/dbraw/zinc/06/04/14/361060414.db2.gz HATBYSXHJRAGMS-NFAWXSAZSA-N 2 1 238.419 3.075 20 0 BGADMP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410577 361060133 /nfs/dbraw/zinc/06/01/33/361060133.db2.gz HATBYSXHJRAGMS-UMVBOHGHSA-N 2 1 238.419 3.075 20 0 BGADMP C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410578 361060095 /nfs/dbraw/zinc/06/00/95/361060095.db2.gz HATBYSXHJRAGMS-VNHYZAJKSA-N 2 1 238.419 3.075 20 0 BGADMP CCC[C@@H](C)CCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000629508691 361102152 /nfs/dbraw/zinc/10/21/52/361102152.db2.gz ZDUMWXQDORLJMP-CABCVRRESA-N 2 1 240.435 3.134 20 0 BGADMP CCC[C@H](C)CCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000629508692 361102470 /nfs/dbraw/zinc/10/24/70/361102470.db2.gz ZDUMWXQDORLJMP-GJZGRUSLSA-N 2 1 240.435 3.134 20 0 BGADMP CCC[C@@H](C)CCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000629508693 361102365 /nfs/dbraw/zinc/10/23/65/361102365.db2.gz ZDUMWXQDORLJMP-HUUCEWRRSA-N 2 1 240.435 3.134 20 0 BGADMP CCC[C@H](C)CCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000629508694 361102164 /nfs/dbraw/zinc/10/21/64/361102164.db2.gz ZDUMWXQDORLJMP-LSDHHAIUSA-N 2 1 240.435 3.134 20 0 BGADMP CCC[C@H](C)CCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000629515796 361110200 /nfs/dbraw/zinc/11/02/00/361110200.db2.gz WUMDNWYDOITAAL-KBPBESRZSA-N 2 1 228.424 3.166 20 0 BGADMP CCC[C@@H](C)CCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000629515797 361110420 /nfs/dbraw/zinc/11/04/20/361110420.db2.gz WUMDNWYDOITAAL-KGLIPLIRSA-N 2 1 228.424 3.166 20 0 BGADMP CCC[C@H](C)CCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000629515798 361109866 /nfs/dbraw/zinc/10/98/66/361109866.db2.gz WUMDNWYDOITAAL-UONOGXRCSA-N 2 1 228.424 3.166 20 0 BGADMP CCC[C@@H](C)CCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000629515799 361110412 /nfs/dbraw/zinc/11/04/12/361110412.db2.gz WUMDNWYDOITAAL-ZIAGYGMSSA-N 2 1 228.424 3.166 20 0 BGADMP CCC[C@@H](C)CCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000629537664 361401517 /nfs/dbraw/zinc/40/15/17/361401517.db2.gz PNJPVBPLCYGCFK-CHWSQXEVSA-N 2 1 228.424 3.166 20 0 BGADMP CCC[C@@H](C)CCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000629537667 361401371 /nfs/dbraw/zinc/40/13/71/361401371.db2.gz PNJPVBPLCYGCFK-OLZOCXBDSA-N 2 1 228.424 3.166 20 0 BGADMP CCC[C@H](C)CCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000629537671 361401277 /nfs/dbraw/zinc/40/12/77/361401277.db2.gz PNJPVBPLCYGCFK-QWHCGFSZSA-N 2 1 228.424 3.166 20 0 BGADMP CCC[C@H](C)CCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000629537672 361401541 /nfs/dbraw/zinc/40/15/41/361401541.db2.gz PNJPVBPLCYGCFK-STQMWFEESA-N 2 1 228.424 3.166 20 0 BGADMP CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C1CCCC1 ZINC000629538453 361403906 /nfs/dbraw/zinc/40/39/06/361403906.db2.gz JWAUKTOXMMHNAS-CFVMTHIKSA-N 2 1 238.419 3.075 20 0 BGADMP CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C1CCCC1 ZINC000629538457 361403620 /nfs/dbraw/zinc/40/36/20/361403620.db2.gz JWAUKTOXMMHNAS-QEJZJMRPSA-N 2 1 238.419 3.075 20 0 BGADMP CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CCCC1 ZINC000629538459 361403322 /nfs/dbraw/zinc/40/33/22/361403322.db2.gz JWAUKTOXMMHNAS-SNPRPXQTSA-N 2 1 238.419 3.075 20 0 BGADMP CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CCCC1 ZINC000629538460 361403294 /nfs/dbraw/zinc/40/32/94/361403294.db2.gz JWAUKTOXMMHNAS-YUELXQCFSA-N 2 1 238.419 3.075 20 0 BGADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000629548578 361434003 /nfs/dbraw/zinc/43/40/03/361434003.db2.gz OBLPWMWTMCNFCH-BFHYXJOUSA-N 2 1 226.408 3.014 20 0 BGADMP CCC[C@H](C)CCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000629548595 361434117 /nfs/dbraw/zinc/43/41/17/361434117.db2.gz OBLPWMWTMCNFCH-IHRRRGAJSA-N 2 1 226.408 3.014 20 0 BGADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000629548597 361434583 /nfs/dbraw/zinc/43/45/83/361434583.db2.gz OBLPWMWTMCNFCH-MELADBBJSA-N 2 1 226.408 3.014 20 0 BGADMP CCC[C@H](C)CCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000629548600 361434101 /nfs/dbraw/zinc/43/41/01/361434101.db2.gz OBLPWMWTMCNFCH-MJBXVCDLSA-N 2 1 226.408 3.014 20 0 BGADMP C[NH+]1CCC([NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000630055025 362173551 /nfs/dbraw/zinc/17/35/51/362173551.db2.gz QFBIXFCTWYRZPA-UHFFFAOYSA-N 2 1 248.414 3.093 20 0 BGADMP CCC(C)(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631206247 360986280 /nfs/dbraw/zinc/98/62/80/360986280.db2.gz JINIDXRBTODPPU-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(C)(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631206251 360986961 /nfs/dbraw/zinc/98/69/61/360986961.db2.gz JINIDXRBTODPPU-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(C)(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631206253 360986563 /nfs/dbraw/zinc/98/65/63/360986563.db2.gz JINIDXRBTODPPU-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(C)(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631206255 360986245 /nfs/dbraw/zinc/98/62/45/360986245.db2.gz JINIDXRBTODPPU-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631222403 361388104 /nfs/dbraw/zinc/38/81/04/361388104.db2.gz XAEKYVWLCBUJNT-CYBMUJFWSA-N 2 1 240.435 3.275 20 0 BGADMP CCC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631222412 361388700 /nfs/dbraw/zinc/38/87/00/361388700.db2.gz XAEKYVWLCBUJNT-ZDUSSCGKSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631251058 372259883 /nfs/dbraw/zinc/25/98/83/372259883.db2.gz SCDSXWMWAXKSBH-GXTWGEPZSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631251059 372260314 /nfs/dbraw/zinc/26/03/14/372260314.db2.gz SCDSXWMWAXKSBH-JSGCOSHPSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631251060 372261075 /nfs/dbraw/zinc/26/10/75/372261075.db2.gz SCDSXWMWAXKSBH-OCCSQVGLSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631251062 372260427 /nfs/dbraw/zinc/26/04/27/372260427.db2.gz SCDSXWMWAXKSBH-TZMCWYRMSA-N 2 1 238.419 3.028 20 0 BGADMP CCC(C)(C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000631682295 372505416 /nfs/dbraw/zinc/50/54/16/372505416.db2.gz DCOCJVYWEWSCPM-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1cc(C)c(C[N@@H+]2CC=C(C)CC2)c(C)n1 ZINC000639569207 356492581 /nfs/dbraw/zinc/49/25/81/356492581.db2.gz UEHMNLUWQIYAGY-UHFFFAOYSA-N 2 1 230.355 3.159 20 0 BGADMP CC1([NH+]2CCCC2)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000639982735 358026314 /nfs/dbraw/zinc/02/63/14/358026314.db2.gz TVSLILUMKZDPGT-HNNXBMFYSA-N 2 1 248.414 3.045 20 0 BGADMP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000639982736 358026450 /nfs/dbraw/zinc/02/64/50/358026450.db2.gz TVSLILUMKZDPGT-OAHLLOKOSA-N 2 1 248.414 3.045 20 0 BGADMP CC1([NH+]2CCCC2)CC[NH+](CC2=CCCC2)CC1 ZINC000639983609 358026415 /nfs/dbraw/zinc/02/64/15/358026415.db2.gz KOKXJFZYKPOLBB-UHFFFAOYSA-N 2 1 248.414 3.047 20 0 BGADMP CC(C)=CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530351 361301620 /nfs/dbraw/zinc/30/16/20/361301620.db2.gz CUHPREBBXCVJBF-UHFFFAOYSA-N 2 1 238.419 3.151 20 0 BGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C1CCCC1 ZINC000640532679 361301302 /nfs/dbraw/zinc/30/13/02/361301302.db2.gz HZAWUPHCJFMKGE-UHFFFAOYSA-N 2 1 238.419 3.127 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000641707153 362615993 /nfs/dbraw/zinc/61/59/93/362615993.db2.gz BBQGZEFBCMCALM-DZGCQCFKSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000641707158 362615085 /nfs/dbraw/zinc/61/50/85/362615085.db2.gz BBQGZEFBCMCALM-HIFRSBDPSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000641707159 362615189 /nfs/dbraw/zinc/61/51/89/362615189.db2.gz BBQGZEFBCMCALM-UKRRQHHQSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000641707160 362615352 /nfs/dbraw/zinc/61/53/52/362615352.db2.gz BBQGZEFBCMCALM-ZFWWWQNUSA-N 2 1 249.402 3.140 20 0 BGADMP C[C@@H]1CCC(C)(C)[N@H+]1CCCC1CC[NH2+]CC1 ZINC000641801008 362753772 /nfs/dbraw/zinc/75/37/72/362753772.db2.gz LDEVLWBARJWBCC-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]1CCC(C)(C)[N@H+]1CCCC1CC[NH2+]CC1 ZINC000641801009 362753436 /nfs/dbraw/zinc/75/34/36/362753436.db2.gz LDEVLWBARJWBCC-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH2+]CCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000643499009 387282994 /nfs/dbraw/zinc/28/29/94/387282994.db2.gz KYPHZVACDLNWTK-SECBINFHSA-N 2 1 246.807 3.052 20 0 BGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000643499010 387282582 /nfs/dbraw/zinc/28/25/82/387282582.db2.gz KYPHZVACDLNWTK-VIFPVBQESA-N 2 1 246.807 3.052 20 0 BGADMP CCC[C@H]([NH2+]CC[NH2+]C1CC1)C1CCCCC1 ZINC000643505907 387464196 /nfs/dbraw/zinc/46/41/96/387464196.db2.gz DCUPZNMTJDFIGP-HNNXBMFYSA-N 2 1 238.419 3.077 20 0 BGADMP CCC[C@@H]([NH2+]CC[NH2+]C1CC1)C1CCCCC1 ZINC000643505908 387464721 /nfs/dbraw/zinc/46/47/21/387464721.db2.gz DCUPZNMTJDFIGP-OAHLLOKOSA-N 2 1 238.419 3.077 20 0 BGADMP C[C@H](CCC1CCCCC1)[NH2+]CC[NH2+]C1CC1 ZINC000643506416 387460593 /nfs/dbraw/zinc/46/05/93/387460593.db2.gz WDBCNHBNKGNRPP-CYBMUJFWSA-N 2 1 238.419 3.077 20 0 BGADMP C[C@@H](CCC1CCCCC1)[NH2+]CC[NH2+]C1CC1 ZINC000643506417 387460349 /nfs/dbraw/zinc/46/03/49/387460349.db2.gz WDBCNHBNKGNRPP-ZDUSSCGKSA-N 2 1 238.419 3.077 20 0 BGADMP C[C@H](C[NH3+])[NH2+]C1CCC(C2CCCCC2)CC1 ZINC000643519648 387659726 /nfs/dbraw/zinc/65/97/26/387659726.db2.gz HATIETPWSOOARM-LRVUVFPRSA-N 2 1 238.419 3.062 20 0 BGADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1cccc2ccccc21 ZINC000643519831 387663096 /nfs/dbraw/zinc/66/30/96/387663096.db2.gz OEFPBHMWYOLTHM-MLGOLLRUSA-N 2 1 242.366 3.228 20 0 BGADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1cccc2ccccc21 ZINC000643519832 387663124 /nfs/dbraw/zinc/66/31/24/387663124.db2.gz OEFPBHMWYOLTHM-WBMJQRKESA-N 2 1 242.366 3.228 20 0 BGADMP CC(C)[C@H]([NH2+]C[C@@H](C)[NH3+])c1cc2ccccc2o1 ZINC000643527483 387766180 /nfs/dbraw/zinc/76/61/80/387766180.db2.gz NNOAQUGJMWWDGI-ABAIWWIYSA-N 2 1 246.354 3.067 20 0 BGADMP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cc2ccccc2o1 ZINC000643527484 387766076 /nfs/dbraw/zinc/76/60/76/387766076.db2.gz NNOAQUGJMWWDGI-IAQYHMDHSA-N 2 1 246.354 3.067 20 0 BGADMP CC(C)[C@H]([NH2+]C[C@H](C)[NH3+])c1cc2ccccc2o1 ZINC000643527485 387765770 /nfs/dbraw/zinc/76/57/70/387765770.db2.gz NNOAQUGJMWWDGI-NHYWBVRUSA-N 2 1 246.354 3.067 20 0 BGADMP CC(C)[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc2ccccc2o1 ZINC000643527486 387765232 /nfs/dbraw/zinc/76/52/32/387765232.db2.gz NNOAQUGJMWWDGI-XHDPSFHLSA-N 2 1 246.354 3.067 20 0 BGADMP CCCCc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528241 387767190 /nfs/dbraw/zinc/76/71/90/387767190.db2.gz FWOOQUMOPPDCLS-CHWSQXEVSA-N 2 1 234.387 3.027 20 0 BGADMP CCCCc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528242 387767595 /nfs/dbraw/zinc/76/75/95/387767595.db2.gz FWOOQUMOPPDCLS-OLZOCXBDSA-N 2 1 234.387 3.027 20 0 BGADMP CCCCc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528243 387767801 /nfs/dbraw/zinc/76/78/01/387767801.db2.gz FWOOQUMOPPDCLS-QWHCGFSZSA-N 2 1 234.387 3.027 20 0 BGADMP CCCCc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528244 387767761 /nfs/dbraw/zinc/76/77/61/387767761.db2.gz FWOOQUMOPPDCLS-STQMWFEESA-N 2 1 234.387 3.027 20 0 BGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[NH3+])CCC2 ZINC000643528697 387769016 /nfs/dbraw/zinc/76/90/16/387769016.db2.gz NFJICHRJYNSFFA-BLLLJJGKSA-N 2 1 246.398 3.124 20 0 BGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)[NH3+])CCC2 ZINC000643528698 387769640 /nfs/dbraw/zinc/76/96/40/387769640.db2.gz NFJICHRJYNSFFA-LRDDRELGSA-N 2 1 246.398 3.124 20 0 BGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[NH3+])CCC2 ZINC000643528699 387769486 /nfs/dbraw/zinc/76/94/86/387769486.db2.gz NFJICHRJYNSFFA-MLGOLLRUSA-N 2 1 246.398 3.124 20 0 BGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)[NH3+])CCC2 ZINC000643528700 387770516 /nfs/dbraw/zinc/77/05/16/387770516.db2.gz NFJICHRJYNSFFA-WBMJQRKESA-N 2 1 246.398 3.124 20 0 BGADMP CCC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000643529415 387776581 /nfs/dbraw/zinc/77/65/81/387776581.db2.gz ZNYUICLTISZLGO-GWCFXTLKSA-N 2 1 240.778 3.118 20 0 BGADMP CCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000643529416 387776747 /nfs/dbraw/zinc/77/67/47/387776747.db2.gz ZNYUICLTISZLGO-GXFFZTMASA-N 2 1 240.778 3.118 20 0 BGADMP CCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000643529417 387777413 /nfs/dbraw/zinc/77/74/13/387777413.db2.gz ZNYUICLTISZLGO-MFKMUULPSA-N 2 1 240.778 3.118 20 0 BGADMP CCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000643529418 387776571 /nfs/dbraw/zinc/77/65/71/387776571.db2.gz ZNYUICLTISZLGO-ZWNOBZJWSA-N 2 1 240.778 3.118 20 0 BGADMP C1=C(C[NH+]2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000645778455 387904962 /nfs/dbraw/zinc/90/49/62/387904962.db2.gz VGRNCQIMNHXBOO-UHFFFAOYSA-N 2 1 248.414 3.047 20 0 BGADMP C1=C(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000645807300 387952630 /nfs/dbraw/zinc/95/26/30/387952630.db2.gz VIAVOYAPBBZFHE-INIZCTEOSA-N 2 1 248.414 3.047 20 0 BGADMP C1=C(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000645807301 387951478 /nfs/dbraw/zinc/95/14/78/387951478.db2.gz VIAVOYAPBBZFHE-MRXNPFEDSA-N 2 1 248.414 3.047 20 0 BGADMP CCC[N@@H+](C[C@@H](C)C(C)(C)C)C1CC[NH2+]CC1 ZINC000647484327 385233401 /nfs/dbraw/zinc/23/34/01/385233401.db2.gz YDBKANUAOAZFPG-CYBMUJFWSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[N@@H+](C[C@H](C)C(C)(C)C)C1CC[NH2+]CC1 ZINC000647484328 385232981 /nfs/dbraw/zinc/23/29/81/385232981.db2.gz YDBKANUAOAZFPG-ZDUSSCGKSA-N 2 1 240.435 3.133 20 0 BGADMP CCCC[C@@H](CC)CC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000647493435 385314923 /nfs/dbraw/zinc/31/49/23/385314923.db2.gz QCLMDPAUSNFAHD-CABCVRRESA-N 2 1 240.435 3.134 20 0 BGADMP CCCC[C@H](CC)CC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000647493436 385316291 /nfs/dbraw/zinc/31/62/91/385316291.db2.gz QCLMDPAUSNFAHD-GJZGRUSLSA-N 2 1 240.435 3.134 20 0 BGADMP CCCC[C@@H](CC)CC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000647493437 385314779 /nfs/dbraw/zinc/31/47/79/385314779.db2.gz QCLMDPAUSNFAHD-HUUCEWRRSA-N 2 1 240.435 3.134 20 0 BGADMP CCCC[C@H](CC)CC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000647493438 385316109 /nfs/dbraw/zinc/31/61/09/385316109.db2.gz QCLMDPAUSNFAHD-LSDHHAIUSA-N 2 1 240.435 3.134 20 0 BGADMP CC(C)(C)CCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814738 385867967 /nfs/dbraw/zinc/86/79/67/385867967.db2.gz CFCHTVYGKRVOFZ-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(C)(C)CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815111 385867948 /nfs/dbraw/zinc/86/79/48/385867948.db2.gz PJFLZRUGZCAOSW-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC000647878479 386159888 /nfs/dbraw/zinc/15/98/88/386159888.db2.gz KRYWOFHYECVRQT-GDBMZVCRSA-N 2 1 246.398 3.069 20 0 BGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC000647878480 386160281 /nfs/dbraw/zinc/16/02/81/386160281.db2.gz KRYWOFHYECVRQT-GOEBONIOSA-N 2 1 246.398 3.069 20 0 BGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC000647878481 386160203 /nfs/dbraw/zinc/16/02/03/386160203.db2.gz KRYWOFHYECVRQT-HOCLYGCPSA-N 2 1 246.398 3.069 20 0 BGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC000647878482 386159847 /nfs/dbraw/zinc/15/98/47/386159847.db2.gz KRYWOFHYECVRQT-ZBFHGGJFSA-N 2 1 246.398 3.069 20 0 BGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H](C)C(C)C ZINC000647882626 386233612 /nfs/dbraw/zinc/23/36/12/386233612.db2.gz HEIAIHXTBAMRIG-AWEZNQCLSA-N 2 1 240.435 3.133 20 0 BGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)[C@H](C)C(C)C ZINC000647882627 386234063 /nfs/dbraw/zinc/23/40/63/386234063.db2.gz HEIAIHXTBAMRIG-CQSZACIVSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)[N@@H+](CCCC1CC[NH2+]CC1)C1CCC1 ZINC000647888151 386341143 /nfs/dbraw/zinc/34/11/43/386341143.db2.gz SANIDRYWZRYXSV-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1[NH3+] ZINC000647936692 386546896 /nfs/dbraw/zinc/54/68/96/386546896.db2.gz JXTSSHIKEKDJMR-CABCVRRESA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1[NH3+] ZINC000647936693 386546079 /nfs/dbraw/zinc/54/60/79/386546079.db2.gz JXTSSHIKEKDJMR-GJZGRUSLSA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1[NH3+] ZINC000647936694 386546850 /nfs/dbraw/zinc/54/68/50/386546850.db2.gz JXTSSHIKEKDJMR-HUUCEWRRSA-N 2 1 238.419 3.016 20 0 BGADMP CC[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1[NH3+] ZINC000647936695 386546474 /nfs/dbraw/zinc/54/64/74/386546474.db2.gz JXTSSHIKEKDJMR-LSDHHAIUSA-N 2 1 238.419 3.016 20 0 BGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC000650129729 397938267 /nfs/dbraw/zinc/93/82/67/397938267.db2.gz OUQCHCAYGIPZTD-HNNXBMFYSA-N 2 1 248.414 3.315 20 0 BGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1 ZINC000650129730 397938163 /nfs/dbraw/zinc/93/81/63/397938163.db2.gz OUQCHCAYGIPZTD-OAHLLOKOSA-N 2 1 248.414 3.315 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651191313 410854243 /nfs/dbraw/zinc/85/42/43/410854243.db2.gz VESBDQKPMRSOEY-BFHYXJOUSA-N 2 1 238.419 3.028 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651191314 410855936 /nfs/dbraw/zinc/85/59/36/410855936.db2.gz VESBDQKPMRSOEY-IHRRRGAJSA-N 2 1 238.419 3.028 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651191315 410855376 /nfs/dbraw/zinc/85/53/76/410855376.db2.gz VESBDQKPMRSOEY-MELADBBJSA-N 2 1 238.419 3.028 20 0 BGADMP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651191316 410855672 /nfs/dbraw/zinc/85/56/72/410855672.db2.gz VESBDQKPMRSOEY-MJBXVCDLSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@H](CC1CCC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651492015 411071346 /nfs/dbraw/zinc/07/13/46/411071346.db2.gz TYCPLXHQOOQYAP-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H](CC1CCC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651492016 411072069 /nfs/dbraw/zinc/07/20/69/411072069.db2.gz TYCPLXHQOOQYAP-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H](C[NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)C ZINC000651599763 490124654 /nfs/dbraw/zinc/12/46/54/490124654.db2.gz MIWLHSQBDIXLDU-CYBMUJFWSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)C ZINC000651599764 490124652 /nfs/dbraw/zinc/12/46/52/490124652.db2.gz MIWLHSQBDIXLDU-ZDUSSCGKSA-N 2 1 240.435 3.133 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@]2(C)CC)CC1 ZINC000651667855 411134004 /nfs/dbraw/zinc/13/40/04/411134004.db2.gz UMDPJWFQGJYYMB-CABCVRRESA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@]2(C)CC)CC1 ZINC000651667856 411134422 /nfs/dbraw/zinc/13/44/22/411134422.db2.gz UMDPJWFQGJYYMB-GJZGRUSLSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@]2(C)CC)CC1 ZINC000651667857 411134193 /nfs/dbraw/zinc/13/41/93/411134193.db2.gz UMDPJWFQGJYYMB-HUUCEWRRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@]2(C)CC)CC1 ZINC000651667858 411134047 /nfs/dbraw/zinc/13/40/47/411134047.db2.gz UMDPJWFQGJYYMB-LSDHHAIUSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@]1(C)CCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000651681842 411135613 /nfs/dbraw/zinc/13/56/13/411135613.db2.gz ALQWQZHQOJHGPJ-CABCVRRESA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000651681843 411135427 /nfs/dbraw/zinc/13/54/27/411135427.db2.gz ALQWQZHQOJHGPJ-GJZGRUSLSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@]1(C)CCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000651681844 411135617 /nfs/dbraw/zinc/13/56/17/411135617.db2.gz ALQWQZHQOJHGPJ-HUUCEWRRSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000651681845 411135645 /nfs/dbraw/zinc/13/56/45/411135645.db2.gz ALQWQZHQOJHGPJ-LSDHHAIUSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000651725374 411139251 /nfs/dbraw/zinc/13/92/51/411139251.db2.gz BLWRUSPQJIBQGE-APIJFGDWSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000651725374 411139250 /nfs/dbraw/zinc/13/92/50/411139250.db2.gz BLWRUSPQJIBQGE-APIJFGDWSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000651725375 411139266 /nfs/dbraw/zinc/13/92/66/411139266.db2.gz BLWRUSPQJIBQGE-CBBWQLFWSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000651725375 411139265 /nfs/dbraw/zinc/13/92/65/411139265.db2.gz BLWRUSPQJIBQGE-CBBWQLFWSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000651725376 411139079 /nfs/dbraw/zinc/13/90/79/411139079.db2.gz BLWRUSPQJIBQGE-LJISPDSOSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000651725376 411139078 /nfs/dbraw/zinc/13/90/78/411139078.db2.gz BLWRUSPQJIBQGE-LJISPDSOSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000651725377 411139127 /nfs/dbraw/zinc/13/91/27/411139127.db2.gz BLWRUSPQJIBQGE-ZQDZILKHSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000651725377 411139126 /nfs/dbraw/zinc/13/91/26/411139126.db2.gz BLWRUSPQJIBQGE-ZQDZILKHSA-N 2 1 238.419 3.028 20 0 BGADMP CC1=CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000651865223 411148118 /nfs/dbraw/zinc/14/81/18/411148118.db2.gz RAMJQVHPSABUFO-HNNXBMFYSA-N 2 1 238.419 3.053 20 0 BGADMP CC1=CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000651865224 411147704 /nfs/dbraw/zinc/14/77/04/411147704.db2.gz RAMJQVHPSABUFO-OAHLLOKOSA-N 2 1 238.419 3.053 20 0 BGADMP CC[N@@H+](CCC[NH2+]CC1CC1)C1CCCCC1 ZINC000651909509 411150022 /nfs/dbraw/zinc/15/00/22/411150022.db2.gz MKCQLDBPOPRTLN-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@@](C[NH3+])([NH2+]CCC1CCCCCC1)C1CC1 ZINC000655937863 491098858 /nfs/dbraw/zinc/09/88/58/491098858.db2.gz GTCCMTVGEGUISU-HNNXBMFYSA-N 2 1 238.419 3.064 20 0 BGADMP C[C@](C[NH3+])([NH2+]CCC1CCCCCC1)C1CC1 ZINC000655937867 491098772 /nfs/dbraw/zinc/09/87/72/491098772.db2.gz GTCCMTVGEGUISU-OAHLLOKOSA-N 2 1 238.419 3.064 20 0 BGADMP C[N@@H+](CCC[NH3+])Cc1cccc(C2CCCC2)c1 ZINC000656784942 411361706 /nfs/dbraw/zinc/36/17/06/411361706.db2.gz FJCDSIGIJHSZKD-UHFFFAOYSA-N 2 1 246.398 3.125 20 0 BGADMP CC(C)([NH3+])C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656785413 411364418 /nfs/dbraw/zinc/36/44/18/411364418.db2.gz HBBWWCFQMBOUIH-UHFFFAOYSA-N 2 1 246.398 3.171 20 0 BGADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656787128 411366560 /nfs/dbraw/zinc/36/65/60/411366560.db2.gz USTGWDIXJQRTGI-INIZCTEOSA-N 2 1 246.398 3.171 20 0 BGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656787129 411366539 /nfs/dbraw/zinc/36/65/39/411366539.db2.gz USTGWDIXJQRTGI-MRXNPFEDSA-N 2 1 246.398 3.171 20 0 BGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656787132 411365645 /nfs/dbraw/zinc/36/56/45/411365645.db2.gz UUNWHDMODZWISR-CHWSQXEVSA-N 2 1 246.398 3.170 20 0 BGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656787133 411366271 /nfs/dbraw/zinc/36/62/71/411366271.db2.gz UUNWHDMODZWISR-OLZOCXBDSA-N 2 1 246.398 3.170 20 0 BGADMP C[C@@H]([NH2+]Cc1cccc(C2CCCC2)c1)[C@H](C)[NH3+] ZINC000656787134 411365692 /nfs/dbraw/zinc/36/56/92/411365692.db2.gz UUNWHDMODZWISR-QWHCGFSZSA-N 2 1 246.398 3.170 20 0 BGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656787135 411366619 /nfs/dbraw/zinc/36/66/19/411366619.db2.gz UUNWHDMODZWISR-STQMWFEESA-N 2 1 246.398 3.170 20 0 BGADMP CC(C)c1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788503 411367625 /nfs/dbraw/zinc/36/76/25/411367625.db2.gz SBNANCDEBMVDNR-UHFFFAOYSA-N 2 1 246.398 3.171 20 0 BGADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC2)CC1 ZINC000657423603 411505019 /nfs/dbraw/zinc/50/50/19/411505019.db2.gz KMWLYLYJUKPPAU-CABCVRRESA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC2)CC1 ZINC000657423605 411505111 /nfs/dbraw/zinc/50/51/11/411505111.db2.gz KMWLYLYJUKPPAU-GJZGRUSLSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC2)CC1 ZINC000657423607 411504414 /nfs/dbraw/zinc/50/44/14/411504414.db2.gz KMWLYLYJUKPPAU-HUUCEWRRSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC2)CC1 ZINC000657423608 411505149 /nfs/dbraw/zinc/50/51/49/411505149.db2.gz KMWLYLYJUKPPAU-LSDHHAIUSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657677412 411579612 /nfs/dbraw/zinc/57/96/12/411579612.db2.gz CJXIKKBRPQPCGT-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657677412 411579610 /nfs/dbraw/zinc/57/96/10/411579610.db2.gz CJXIKKBRPQPCGT-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C)C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657677414 411580216 /nfs/dbraw/zinc/58/02/16/411580216.db2.gz CJXIKKBRPQPCGT-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657677414 411580214 /nfs/dbraw/zinc/58/02/14/411580214.db2.gz CJXIKKBRPQPCGT-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657678239 411579862 /nfs/dbraw/zinc/57/98/62/411579862.db2.gz OMNIKTZHUXVSEC-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657678239 411579861 /nfs/dbraw/zinc/57/98/61/411579861.db2.gz OMNIKTZHUXVSEC-KBPBESRZSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657678240 411579982 /nfs/dbraw/zinc/57/99/82/411579982.db2.gz OMNIKTZHUXVSEC-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657678240 411579980 /nfs/dbraw/zinc/57/99/80/411579980.db2.gz OMNIKTZHUXVSEC-KGLIPLIRSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657678241 411580262 /nfs/dbraw/zinc/58/02/62/411580262.db2.gz OMNIKTZHUXVSEC-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657678241 411580261 /nfs/dbraw/zinc/58/02/61/411580261.db2.gz OMNIKTZHUXVSEC-UONOGXRCSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657678242 411580248 /nfs/dbraw/zinc/58/02/48/411580248.db2.gz OMNIKTZHUXVSEC-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657678242 411580246 /nfs/dbraw/zinc/58/02/46/411580246.db2.gz OMNIKTZHUXVSEC-ZIAGYGMSSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CC=CCC1 ZINC000657791891 411598139 /nfs/dbraw/zinc/59/81/39/411598139.db2.gz AKJDXXWMFAQIBP-AWEZNQCLSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CC=CCC1 ZINC000657791891 411598137 /nfs/dbraw/zinc/59/81/37/411598137.db2.gz AKJDXXWMFAQIBP-AWEZNQCLSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1CC=CCC1 ZINC000657791892 411598463 /nfs/dbraw/zinc/59/84/63/411598463.db2.gz AKJDXXWMFAQIBP-CQSZACIVSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1CC=CCC1 ZINC000657791892 411598462 /nfs/dbraw/zinc/59/84/62/411598462.db2.gz AKJDXXWMFAQIBP-CQSZACIVSA-N 2 1 238.419 3.053 20 0 BGADMP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658225620 411304955 /nfs/dbraw/zinc/30/49/55/411304955.db2.gz AQFUMLOTTFCMJX-KBPBESRZSA-N 2 1 238.419 3.172 20 0 BGADMP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658225620 411304954 /nfs/dbraw/zinc/30/49/54/411304954.db2.gz AQFUMLOTTFCMJX-KBPBESRZSA-N 2 1 238.419 3.172 20 0 BGADMP CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658225621 411304897 /nfs/dbraw/zinc/30/48/97/411304897.db2.gz AQFUMLOTTFCMJX-KGLIPLIRSA-N 2 1 238.419 3.172 20 0 BGADMP CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658225621 411304895 /nfs/dbraw/zinc/30/48/95/411304895.db2.gz AQFUMLOTTFCMJX-KGLIPLIRSA-N 2 1 238.419 3.172 20 0 BGADMP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658225622 411304801 /nfs/dbraw/zinc/30/48/01/411304801.db2.gz AQFUMLOTTFCMJX-UONOGXRCSA-N 2 1 238.419 3.172 20 0 BGADMP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658225622 411304799 /nfs/dbraw/zinc/30/47/99/411304799.db2.gz AQFUMLOTTFCMJX-UONOGXRCSA-N 2 1 238.419 3.172 20 0 BGADMP CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658225623 411304919 /nfs/dbraw/zinc/30/49/19/411304919.db2.gz AQFUMLOTTFCMJX-ZIAGYGMSSA-N 2 1 238.419 3.172 20 0 BGADMP CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658225623 411304917 /nfs/dbraw/zinc/30/49/17/411304917.db2.gz AQFUMLOTTFCMJX-ZIAGYGMSSA-N 2 1 238.419 3.172 20 0 BGADMP CCC(CC)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658226573 411304349 /nfs/dbraw/zinc/30/43/49/411304349.db2.gz JWILTUJJRZDHKL-AWEZNQCLSA-N 2 1 238.419 3.172 20 0 BGADMP CCC(CC)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658226573 411304348 /nfs/dbraw/zinc/30/43/48/411304348.db2.gz JWILTUJJRZDHKL-AWEZNQCLSA-N 2 1 238.419 3.172 20 0 BGADMP CCC(CC)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658226574 411304369 /nfs/dbraw/zinc/30/43/69/411304369.db2.gz JWILTUJJRZDHKL-CQSZACIVSA-N 2 1 238.419 3.172 20 0 BGADMP CCC(CC)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658226574 411304365 /nfs/dbraw/zinc/30/43/65/411304365.db2.gz JWILTUJJRZDHKL-CQSZACIVSA-N 2 1 238.419 3.172 20 0 BGADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658226644 411304792 /nfs/dbraw/zinc/30/47/92/411304792.db2.gz LLDSNACRIUZNCK-KBPBESRZSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658226644 411304790 /nfs/dbraw/zinc/30/47/90/411304790.db2.gz LLDSNACRIUZNCK-KBPBESRZSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658226645 411304292 /nfs/dbraw/zinc/30/42/92/411304292.db2.gz LLDSNACRIUZNCK-KGLIPLIRSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658226645 411304290 /nfs/dbraw/zinc/30/42/90/411304290.db2.gz LLDSNACRIUZNCK-KGLIPLIRSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658226647 411304471 /nfs/dbraw/zinc/30/44/71/411304471.db2.gz LLDSNACRIUZNCK-UONOGXRCSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658226647 411304468 /nfs/dbraw/zinc/30/44/68/411304468.db2.gz LLDSNACRIUZNCK-UONOGXRCSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658226648 411304875 /nfs/dbraw/zinc/30/48/75/411304875.db2.gz LLDSNACRIUZNCK-ZIAGYGMSSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658226648 411304874 /nfs/dbraw/zinc/30/48/74/411304874.db2.gz LLDSNACRIUZNCK-ZIAGYGMSSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)=CCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000659865318 411353948 /nfs/dbraw/zinc/35/39/48/411353948.db2.gz AQXCWYXZPGAAMF-UHFFFAOYSA-N 2 1 238.419 3.147 20 0 BGADMP CC(C)=CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000659963390 411512197 /nfs/dbraw/zinc/51/21/97/411512197.db2.gz WHTPRYSLDXCWIV-HNNXBMFYSA-N 2 1 238.419 3.149 20 0 BGADMP CC(C)=CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000659963390 411512195 /nfs/dbraw/zinc/51/21/95/411512195.db2.gz WHTPRYSLDXCWIV-HNNXBMFYSA-N 2 1 238.419 3.149 20 0 BGADMP CC(C)=CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000659963390 411512192 /nfs/dbraw/zinc/51/21/92/411512192.db2.gz WHTPRYSLDXCWIV-HNNXBMFYSA-N 2 1 238.419 3.149 20 0 BGADMP CC(C)=CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000659963391 411512395 /nfs/dbraw/zinc/51/23/95/411512395.db2.gz WHTPRYSLDXCWIV-OAHLLOKOSA-N 2 1 238.419 3.149 20 0 BGADMP CC(C)=CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000659963391 411512392 /nfs/dbraw/zinc/51/23/92/411512392.db2.gz WHTPRYSLDXCWIV-OAHLLOKOSA-N 2 1 238.419 3.149 20 0 BGADMP CC(C)=CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000659963391 411512390 /nfs/dbraw/zinc/51/23/90/411512390.db2.gz WHTPRYSLDXCWIV-OAHLLOKOSA-N 2 1 238.419 3.149 20 0 BGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC=C(C)C)C1 ZINC000659973613 411515547 /nfs/dbraw/zinc/51/55/47/411515547.db2.gz DDZGPVLOZWHLKJ-HNNXBMFYSA-N 2 1 238.419 3.006 20 0 BGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC=C(C)C)C1 ZINC000659973614 411514561 /nfs/dbraw/zinc/51/45/61/411514561.db2.gz DDZGPVLOZWHLKJ-OAHLLOKOSA-N 2 1 238.419 3.006 20 0 BGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC=C(C)C)C1 ZINC000659982099 411518647 /nfs/dbraw/zinc/51/86/47/411518647.db2.gz FHBMFYRLGQTAPG-HNNXBMFYSA-N 2 1 238.419 3.006 20 0 BGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC=C(C)C)C1 ZINC000659982099 411518644 /nfs/dbraw/zinc/51/86/44/411518644.db2.gz FHBMFYRLGQTAPG-HNNXBMFYSA-N 2 1 238.419 3.006 20 0 BGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC=C(C)C)C1 ZINC000659982099 411518642 /nfs/dbraw/zinc/51/86/42/411518642.db2.gz FHBMFYRLGQTAPG-HNNXBMFYSA-N 2 1 238.419 3.006 20 0 BGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC=C(C)C)C1 ZINC000659982100 411518076 /nfs/dbraw/zinc/51/80/76/411518076.db2.gz FHBMFYRLGQTAPG-OAHLLOKOSA-N 2 1 238.419 3.006 20 0 BGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC=C(C)C)C1 ZINC000659982100 411518075 /nfs/dbraw/zinc/51/80/75/411518075.db2.gz FHBMFYRLGQTAPG-OAHLLOKOSA-N 2 1 238.419 3.006 20 0 BGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC=C(C)C)C1 ZINC000659982100 411518074 /nfs/dbraw/zinc/51/80/74/411518074.db2.gz FHBMFYRLGQTAPG-OAHLLOKOSA-N 2 1 238.419 3.006 20 0 BGADMP CCC[NH+]1CCC([N@@H+](C)CCC=C(C)C)CC1 ZINC000659983404 411518632 /nfs/dbraw/zinc/51/86/32/411518632.db2.gz LEGAGIYQFKQJDP-UHFFFAOYSA-N 2 1 238.419 3.149 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC=C(C)C)C[C@H]1C ZINC000659983932 411517831 /nfs/dbraw/zinc/51/78/31/411517831.db2.gz YOULHFNFKZRUJM-CABCVRRESA-N 2 1 238.419 3.147 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC=C(C)C)C[C@H]1C ZINC000659983932 411517829 /nfs/dbraw/zinc/51/78/29/411517829.db2.gz YOULHFNFKZRUJM-CABCVRRESA-N 2 1 238.419 3.147 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC=C(C)C)C[C@H]1C ZINC000659983932 411517826 /nfs/dbraw/zinc/51/78/26/411517826.db2.gz YOULHFNFKZRUJM-CABCVRRESA-N 2 1 238.419 3.147 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC=C(C)C)C[C@@H]1C ZINC000659983933 411517874 /nfs/dbraw/zinc/51/78/74/411517874.db2.gz YOULHFNFKZRUJM-GJZGRUSLSA-N 2 1 238.419 3.147 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC=C(C)C)C[C@@H]1C ZINC000659983933 411517873 /nfs/dbraw/zinc/51/78/73/411517873.db2.gz YOULHFNFKZRUJM-GJZGRUSLSA-N 2 1 238.419 3.147 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC=C(C)C)C[C@@H]1C ZINC000659983933 411517870 /nfs/dbraw/zinc/51/78/70/411517870.db2.gz YOULHFNFKZRUJM-GJZGRUSLSA-N 2 1 238.419 3.147 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC=C(C)C)C[C@H]1C ZINC000659983934 411518667 /nfs/dbraw/zinc/51/86/67/411518667.db2.gz YOULHFNFKZRUJM-HUUCEWRRSA-N 2 1 238.419 3.147 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC=C(C)C)C[C@H]1C ZINC000659983934 411518664 /nfs/dbraw/zinc/51/86/64/411518664.db2.gz YOULHFNFKZRUJM-HUUCEWRRSA-N 2 1 238.419 3.147 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC=C(C)C)C[C@H]1C ZINC000659983934 411518662 /nfs/dbraw/zinc/51/86/62/411518662.db2.gz YOULHFNFKZRUJM-HUUCEWRRSA-N 2 1 238.419 3.147 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC=C(C)C)C[C@@H]1C ZINC000659983935 411517862 /nfs/dbraw/zinc/51/78/62/411517862.db2.gz YOULHFNFKZRUJM-LSDHHAIUSA-N 2 1 238.419 3.147 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC=C(C)C)C[C@@H]1C ZINC000659983935 411517860 /nfs/dbraw/zinc/51/78/60/411517860.db2.gz YOULHFNFKZRUJM-LSDHHAIUSA-N 2 1 238.419 3.147 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC=C(C)C)C[C@@H]1C ZINC000659983935 411517857 /nfs/dbraw/zinc/51/78/57/411517857.db2.gz YOULHFNFKZRUJM-LSDHHAIUSA-N 2 1 238.419 3.147 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC=C(C)C)[C@H](C)C1 ZINC000660081492 411534754 /nfs/dbraw/zinc/53/47/54/411534754.db2.gz GPNHNFZKFAHNQP-CABCVRRESA-N 2 1 238.419 3.005 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC=C(C)C)[C@H](C)C1 ZINC000660081492 411534752 /nfs/dbraw/zinc/53/47/52/411534752.db2.gz GPNHNFZKFAHNQP-CABCVRRESA-N 2 1 238.419 3.005 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC=C(C)C)[C@H](C)C1 ZINC000660081492 411534750 /nfs/dbraw/zinc/53/47/50/411534750.db2.gz GPNHNFZKFAHNQP-CABCVRRESA-N 2 1 238.419 3.005 20 0 BGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC=C(C)C)[C@@H](C)C1 ZINC000660081493 411534034 /nfs/dbraw/zinc/53/40/34/411534034.db2.gz GPNHNFZKFAHNQP-GJZGRUSLSA-N 2 1 238.419 3.005 20 0 BGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC=C(C)C)[C@@H](C)C1 ZINC000660081493 411534033 /nfs/dbraw/zinc/53/40/33/411534033.db2.gz GPNHNFZKFAHNQP-GJZGRUSLSA-N 2 1 238.419 3.005 20 0 BGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC=C(C)C)[C@@H](C)C1 ZINC000660081493 411534031 /nfs/dbraw/zinc/53/40/31/411534031.db2.gz GPNHNFZKFAHNQP-GJZGRUSLSA-N 2 1 238.419 3.005 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC=C(C)C)[C@H](C)C1 ZINC000660081494 411533994 /nfs/dbraw/zinc/53/39/94/411533994.db2.gz GPNHNFZKFAHNQP-HUUCEWRRSA-N 2 1 238.419 3.005 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC=C(C)C)[C@H](C)C1 ZINC000660081494 411533992 /nfs/dbraw/zinc/53/39/92/411533992.db2.gz GPNHNFZKFAHNQP-HUUCEWRRSA-N 2 1 238.419 3.005 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC=C(C)C)[C@H](C)C1 ZINC000660081494 411533991 /nfs/dbraw/zinc/53/39/91/411533991.db2.gz GPNHNFZKFAHNQP-HUUCEWRRSA-N 2 1 238.419 3.005 20 0 BGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC=C(C)C)[C@@H](C)C1 ZINC000660081495 411534913 /nfs/dbraw/zinc/53/49/13/411534913.db2.gz GPNHNFZKFAHNQP-LSDHHAIUSA-N 2 1 238.419 3.005 20 0 BGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC=C(C)C)[C@@H](C)C1 ZINC000660081495 411534912 /nfs/dbraw/zinc/53/49/12/411534912.db2.gz GPNHNFZKFAHNQP-LSDHHAIUSA-N 2 1 238.419 3.005 20 0 BGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC=C(C)C)[C@@H](C)C1 ZINC000660081495 411534910 /nfs/dbraw/zinc/53/49/10/411534910.db2.gz GPNHNFZKFAHNQP-LSDHHAIUSA-N 2 1 238.419 3.005 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCC1CCC1 ZINC000660117543 411236943 /nfs/dbraw/zinc/23/69/43/411236943.db2.gz OBWBWJFVMWZBDX-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCC1CCC1 ZINC000660117543 411236939 /nfs/dbraw/zinc/23/69/39/411236939.db2.gz OBWBWJFVMWZBDX-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCC1CCC1 ZINC000660762152 409722289 /nfs/dbraw/zinc/72/22/89/409722289.db2.gz IHLHRZJHGCLAPB-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@@H](C)[N@@H+](CC)CCCCn1cc[nH+]c1C ZINC000661107411 411710606 /nfs/dbraw/zinc/71/06/06/411710606.db2.gz LIRUDCCMNFUDIW-CYBMUJFWSA-N 2 1 237.391 3.092 20 0 BGADMP CC[C@@H](C)[N@H+](CC)CCCCn1cc[nH+]c1C ZINC000661107411 411710604 /nfs/dbraw/zinc/71/06/04/411710604.db2.gz LIRUDCCMNFUDIW-CYBMUJFWSA-N 2 1 237.391 3.092 20 0 BGADMP CC[C@H](C)[N@@H+](CC)CCCCn1cc[nH+]c1C ZINC000661107412 411710620 /nfs/dbraw/zinc/71/06/20/411710620.db2.gz LIRUDCCMNFUDIW-ZDUSSCGKSA-N 2 1 237.391 3.092 20 0 BGADMP CC[C@H](C)[N@H+](CC)CCCCn1cc[nH+]c1C ZINC000661107412 411710619 /nfs/dbraw/zinc/71/06/19/411710619.db2.gz LIRUDCCMNFUDIW-ZDUSSCGKSA-N 2 1 237.391 3.092 20 0 BGADMP CCC1(CC)CCC[N@@H+](CCCn2ccnc2)C1 ZINC000661671402 411832974 /nfs/dbraw/zinc/83/29/74/411832974.db2.gz COTNLQBKUMIGEY-UHFFFAOYSA-N 2 1 249.402 3.175 20 0 BGADMP CCC1(CC)CCC[N@@H+](CCn2ccnc2C)C1 ZINC000661671571 411832957 /nfs/dbraw/zinc/83/29/57/411832957.db2.gz DSQDVOLRPZGQFZ-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP CC[C@@H]1CC[C@@H](C)[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000661861766 411907150 /nfs/dbraw/zinc/90/71/50/411907150.db2.gz WXHJQQGDZIPNHB-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP CC[C@@H]1CC[C@@H](C)[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000661861766 411907146 /nfs/dbraw/zinc/90/71/46/411907146.db2.gz WXHJQQGDZIPNHB-UKRRQHHQSA-N 2 1 249.402 3.092 20 0 BGADMP CC(C)CC1([NH2+]CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000662068365 411969393 /nfs/dbraw/zinc/96/93/93/411969393.db2.gz FDHMPEJJTROZDD-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)CC1([NH2+]CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000662068366 411970280 /nfs/dbraw/zinc/97/02/80/411970280.db2.gz FDHMPEJJTROZDD-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(CC(C)C)CC1 ZINC000662071304 411972476 /nfs/dbraw/zinc/97/24/76/411972476.db2.gz JDKNMPWPAXLPGP-UHFFFAOYSA-N 2 1 249.402 3.140 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CCCn1cc[nH+]c1C ZINC000662159923 412012923 /nfs/dbraw/zinc/01/29/23/412012923.db2.gz DKWYCFKLZONNKT-DZGCQCFKSA-N 2 1 249.402 3.235 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCn1cc[nH+]c1C ZINC000662159923 412012920 /nfs/dbraw/zinc/01/29/20/412012920.db2.gz DKWYCFKLZONNKT-DZGCQCFKSA-N 2 1 249.402 3.235 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000662161643 412013143 /nfs/dbraw/zinc/01/31/43/412013143.db2.gz VSLPAKZPTBRVCF-RRFJBIMHSA-N 2 1 238.419 3.124 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000662161643 412013140 /nfs/dbraw/zinc/01/31/40/412013140.db2.gz VSLPAKZPTBRVCF-RRFJBIMHSA-N 2 1 238.419 3.124 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000662161643 412013139 /nfs/dbraw/zinc/01/31/39/412013139.db2.gz VSLPAKZPTBRVCF-RRFJBIMHSA-N 2 1 238.419 3.124 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000662161644 412013728 /nfs/dbraw/zinc/01/37/28/412013728.db2.gz VSLPAKZPTBRVCF-ZNMIVQPWSA-N 2 1 238.419 3.124 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000662161644 412013725 /nfs/dbraw/zinc/01/37/25/412013725.db2.gz VSLPAKZPTBRVCF-ZNMIVQPWSA-N 2 1 238.419 3.124 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000662161644 412013724 /nfs/dbraw/zinc/01/37/24/412013724.db2.gz VSLPAKZPTBRVCF-ZNMIVQPWSA-N 2 1 238.419 3.124 20 0 BGADMP CC/C=C/CC[NH2+]C(C)(C)C[N@H+](C)CCC ZINC000662178505 412020575 /nfs/dbraw/zinc/02/05/75/412020575.db2.gz VRCGGHWNDYICAA-CMDGGOBGSA-N 2 1 226.408 3.053 20 0 BGADMP CC/C=C/CC[NH2+]C(C)(C)C[N@@H+](C)CCC ZINC000662178505 412020571 /nfs/dbraw/zinc/02/05/71/412020571.db2.gz VRCGGHWNDYICAA-CMDGGOBGSA-N 2 1 226.408 3.053 20 0 BGADMP CC/C=C\CC[NH2+]C(C)(C)C[N@H+](C)CCC ZINC000662178506 412021890 /nfs/dbraw/zinc/02/18/90/412021890.db2.gz VRCGGHWNDYICAA-HJWRWDBZSA-N 2 1 226.408 3.053 20 0 BGADMP CC/C=C\CC[NH2+]C(C)(C)C[N@@H+](C)CCC ZINC000662178506 412021886 /nfs/dbraw/zinc/02/18/86/412021886.db2.gz VRCGGHWNDYICAA-HJWRWDBZSA-N 2 1 226.408 3.053 20 0 BGADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCC=C(C)C ZINC000662179857 412020686 /nfs/dbraw/zinc/02/06/86/412020686.db2.gz LUWZHFNPDMXKAR-UHFFFAOYSA-N 2 1 226.408 3.053 20 0 BGADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCC=C(C)C ZINC000662179857 412020680 /nfs/dbraw/zinc/02/06/80/412020680.db2.gz LUWZHFNPDMXKAR-UHFFFAOYSA-N 2 1 226.408 3.053 20 0 BGADMP CCC(CC)CCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000662229771 412031770 /nfs/dbraw/zinc/03/17/70/412031770.db2.gz MGNHHIAZLPVZLJ-UHFFFAOYSA-N 2 1 240.435 3.134 20 0 BGADMP CCC[N@@H+](CCCC1CCC1)C1CC[NH2+]CC1 ZINC000662266100 412058516 /nfs/dbraw/zinc/05/85/16/412058516.db2.gz XLGKXAVSDMEAIJ-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)=CCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000662272166 412063246 /nfs/dbraw/zinc/06/32/46/412063246.db2.gz LMRAWKYYIPTTMW-UHFFFAOYSA-N 2 1 246.398 3.194 20 0 BGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CCCCC1(C)C ZINC000662276602 487530595 /nfs/dbraw/zinc/53/05/95/487530595.db2.gz KZADPTYJFDXUAB-CHWSQXEVSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCCCC1(C)C ZINC000662276603 487530516 /nfs/dbraw/zinc/53/05/16/487530516.db2.gz KZADPTYJFDXUAB-OLZOCXBDSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCCCC1(C)C ZINC000662276604 487530533 /nfs/dbraw/zinc/53/05/33/487530533.db2.gz KZADPTYJFDXUAB-QWHCGFSZSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCCCC1(C)C ZINC000662276605 487530354 /nfs/dbraw/zinc/53/03/54/487530354.db2.gz KZADPTYJFDXUAB-STQMWFEESA-N 2 1 240.435 3.166 20 0 BGADMP [NH3+]C[C@H]([NH2+]CCCC1CCC1)C1CCCCC1 ZINC000662277767 412069947 /nfs/dbraw/zinc/06/99/47/412069947.db2.gz UDACBJHAJZLFQC-HNNXBMFYSA-N 2 1 238.419 3.064 20 0 BGADMP [NH3+]C[C@@H]([NH2+]CCCC1CCC1)C1CCCCC1 ZINC000662277770 412069794 /nfs/dbraw/zinc/06/97/94/412069794.db2.gz UDACBJHAJZLFQC-OAHLLOKOSA-N 2 1 238.419 3.064 20 0 BGADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000662279949 412070784 /nfs/dbraw/zinc/07/07/84/412070784.db2.gz BJDUNJFAOWMEDD-UHFFFAOYSA-N 2 1 248.414 3.025 20 0 BGADMP CC(C)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000662282645 412072980 /nfs/dbraw/zinc/07/29/80/412072980.db2.gz ILSVBRJOKXPARB-HZPDHXFCSA-N 2 1 246.398 3.170 20 0 BGADMP CC(C)c1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000662284816 412076775 /nfs/dbraw/zinc/07/67/75/412076775.db2.gz PSZWYNGVWRVTRB-BBRMVZONSA-N 2 1 246.398 3.122 20 0 BGADMP CC(C)c1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000662284818 412076448 /nfs/dbraw/zinc/07/64/48/412076448.db2.gz PSZWYNGVWRVTRB-CJNGLKHVSA-N 2 1 246.398 3.122 20 0 BGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000662284820 412076958 /nfs/dbraw/zinc/07/69/58/412076958.db2.gz PSZWYNGVWRVTRB-CZUORRHYSA-N 2 1 246.398 3.122 20 0 BGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000662284822 412076746 /nfs/dbraw/zinc/07/67/46/412076746.db2.gz PSZWYNGVWRVTRB-XJKSGUPXSA-N 2 1 246.398 3.122 20 0 BGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCCCC1(C)C ZINC000662285078 412076433 /nfs/dbraw/zinc/07/64/33/412076433.db2.gz WFKJWXLBDAKJSA-HZSPNIEDSA-N 2 1 238.419 3.014 20 0 BGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCCCC1(C)C ZINC000662285079 412077543 /nfs/dbraw/zinc/07/75/43/412077543.db2.gz WFKJWXLBDAKJSA-MCIONIFRSA-N 2 1 238.419 3.014 20 0 BGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCCCC1(C)C ZINC000662285080 412076362 /nfs/dbraw/zinc/07/63/62/412076362.db2.gz WFKJWXLBDAKJSA-MGPQQGTHSA-N 2 1 238.419 3.014 20 0 BGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCCCC1(C)C ZINC000662285081 412078349 /nfs/dbraw/zinc/07/83/49/412078349.db2.gz WFKJWXLBDAKJSA-RDBSUJKOSA-N 2 1 238.419 3.014 20 0 BGADMP Cc1cc(C)c([C@H](C)[N@@H+](C)CC(C)(C)[NH3+])c(C)c1 ZINC000662292192 412082845 /nfs/dbraw/zinc/08/28/45/412082845.db2.gz DCNKBDUIRXDXFZ-AWEZNQCLSA-N 2 1 248.414 3.342 20 0 BGADMP Cc1cc(C)c([C@H](C)[N@H+](C)CC(C)(C)[NH3+])c(C)c1 ZINC000662292192 412082843 /nfs/dbraw/zinc/08/28/43/412082843.db2.gz DCNKBDUIRXDXFZ-AWEZNQCLSA-N 2 1 248.414 3.342 20 0 BGADMP Cc1cc(C)c([C@@H](C)[N@@H+](C)CC(C)(C)[NH3+])c(C)c1 ZINC000662292197 412081713 /nfs/dbraw/zinc/08/17/13/412081713.db2.gz DCNKBDUIRXDXFZ-CQSZACIVSA-N 2 1 248.414 3.342 20 0 BGADMP Cc1cc(C)c([C@@H](C)[N@H+](C)CC(C)(C)[NH3+])c(C)c1 ZINC000662292197 412081709 /nfs/dbraw/zinc/08/17/09/412081709.db2.gz DCNKBDUIRXDXFZ-CQSZACIVSA-N 2 1 248.414 3.342 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1c(C)cccc1C ZINC000662294918 412084826 /nfs/dbraw/zinc/08/48/26/412084826.db2.gz GYQVACLLZHJMST-HNNXBMFYSA-N 2 1 246.398 3.050 20 0 BGADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1c(C)cccc1C ZINC000662294919 412085144 /nfs/dbraw/zinc/08/51/44/412085144.db2.gz GYQVACLLZHJMST-OAHLLOKOSA-N 2 1 246.398 3.050 20 0 BGADMP CC(C)=CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662309897 412094415 /nfs/dbraw/zinc/09/44/15/412094415.db2.gz ADWHONIMPUOHKK-HUUCEWRRSA-N 2 1 238.419 3.182 20 0 BGADMP C[C@@H]1CCC[N@@H+](CCC2CCC2)[C@@H]1CCC[NH3+] ZINC000662311751 412094737 /nfs/dbraw/zinc/09/47/37/412094737.db2.gz DIMOLYILRXSOCU-UKRRQHHQSA-N 2 1 238.419 3.016 20 0 BGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662312960 412094370 /nfs/dbraw/zinc/09/43/70/412094370.db2.gz CFCBARDTIZMEGL-GDBMZVCRSA-N 2 1 246.398 3.026 20 0 BGADMP CCCCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313109 412094966 /nfs/dbraw/zinc/09/49/66/412094966.db2.gz JDSFDIFIFMIQKZ-ZIAGYGMSSA-N 2 1 226.408 3.016 20 0 BGADMP CCC(CC)CCC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000662316650 412097669 /nfs/dbraw/zinc/09/76/69/412097669.db2.gz LJOCYEPRUFDVRK-HNNXBMFYSA-N 2 1 240.435 3.134 20 0 BGADMP CCC(CC)CCC[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000662316652 412098823 /nfs/dbraw/zinc/09/88/23/412098823.db2.gz LJOCYEPRUFDVRK-OAHLLOKOSA-N 2 1 240.435 3.134 20 0 BGADMP C[C@@H]1CCC[N@@H+](CC2CCCC2)[C@@H]1CCC[NH3+] ZINC000662316682 412098401 /nfs/dbraw/zinc/09/84/01/412098401.db2.gz LZZXAUVEZJZYEV-UKRRQHHQSA-N 2 1 238.419 3.016 20 0 BGADMP CCC(CC)CCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000662318165 412097917 /nfs/dbraw/zinc/09/79/17/412097917.db2.gz WTJAYLWNRADOII-HNNXBMFYSA-N 2 1 240.435 3.134 20 0 BGADMP CCC(CC)CCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000662318166 412097459 /nfs/dbraw/zinc/09/74/59/412097459.db2.gz WTJAYLWNRADOII-OAHLLOKOSA-N 2 1 240.435 3.134 20 0 BGADMP CCCCC[C@H]1CCCC[N@H+]1CCC[NH2+]C ZINC000662319203 412098979 /nfs/dbraw/zinc/09/89/79/412098979.db2.gz KQEVBKIHCZQXGC-AWEZNQCLSA-N 2 1 226.408 3.031 20 0 BGADMP CCCCC[C@@H]1CCCC[N@H+]1CCC[NH2+]C ZINC000662319204 412098122 /nfs/dbraw/zinc/09/81/22/412098122.db2.gz KQEVBKIHCZQXGC-CQSZACIVSA-N 2 1 226.408 3.031 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CCC1CC[NH2+]CC1 ZINC000662319575 490051434 /nfs/dbraw/zinc/05/14/34/490051434.db2.gz ODDRJDHOLNUASY-DZGCQCFKSA-N 2 1 238.419 3.029 20 0 BGADMP CCCCC[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662319596 412099865 /nfs/dbraw/zinc/09/98/65/412099865.db2.gz OPHLDKXUUGESBC-CABCVRRESA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000662319597 412099992 /nfs/dbraw/zinc/09/99/92/412099992.db2.gz OPHLDKXUUGESBC-GJZGRUSLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662319598 412100452 /nfs/dbraw/zinc/10/04/52/412100452.db2.gz OPHLDKXUUGESBC-HUUCEWRRSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000662319599 412101408 /nfs/dbraw/zinc/10/14/08/412101408.db2.gz OPHLDKXUUGESBC-LSDHHAIUSA-N 2 1 238.419 3.031 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000662320717 412100391 /nfs/dbraw/zinc/10/03/91/412100391.db2.gz WBNSGOTVUOUFKK-RRFJBIMHSA-N 2 1 238.419 3.029 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000662320719 412101367 /nfs/dbraw/zinc/10/13/67/412101367.db2.gz WBNSGOTVUOUFKK-SOUVJXGZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(CC)CCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000663501284 411686164 /nfs/dbraw/zinc/68/61/64/411686164.db2.gz UOXWHQCICWJDMO-HNNXBMFYSA-N 2 1 240.435 3.134 20 0 BGADMP CCC(CC)CCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000663501285 411685192 /nfs/dbraw/zinc/68/51/92/411685192.db2.gz UOXWHQCICWJDMO-OAHLLOKOSA-N 2 1 240.435 3.134 20 0 BGADMP C[NH2+]C[C@@H](C)[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000663514944 411697515 /nfs/dbraw/zinc/69/75/15/411697515.db2.gz WZZVBDLJOQLHEZ-GDBMZVCRSA-N 2 1 248.414 3.014 20 0 BGADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000663514945 411697595 /nfs/dbraw/zinc/69/75/95/411697595.db2.gz WZZVBDLJOQLHEZ-GOEBONIOSA-N 2 1 248.414 3.014 20 0 BGADMP C[NH2+]C[C@H](C)[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000663514946 411696852 /nfs/dbraw/zinc/69/68/52/411696852.db2.gz WZZVBDLJOQLHEZ-HOCLYGCPSA-N 2 1 248.414 3.014 20 0 BGADMP C[NH2+]C[C@@H](C)[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000663514947 411697312 /nfs/dbraw/zinc/69/73/12/411697312.db2.gz WZZVBDLJOQLHEZ-ZBFHGGJFSA-N 2 1 248.414 3.014 20 0 BGADMP C[C@@H](CCNc1cc[nH+]c2ccsc21)[NH+](C)C ZINC000664245972 411896993 /nfs/dbraw/zinc/89/69/93/411896993.db2.gz QXKGTAXOCKBRQD-JTQLQIEISA-N 2 1 249.383 3.048 20 0 BGADMP C[C@H](CCNc1cc[nH+]c2ccsc21)[NH+](C)C ZINC000664245973 411896613 /nfs/dbraw/zinc/89/66/13/411896613.db2.gz QXKGTAXOCKBRQD-SNVBAGLBSA-N 2 1 249.383 3.048 20 0 BGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccsc1 ZINC000665246685 412190347 /nfs/dbraw/zinc/19/03/47/412190347.db2.gz LMTXOZKHGFNIPT-GFCCVEGCSA-N 2 1 238.400 3.060 20 0 BGADMP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccsc1 ZINC000665246686 412191459 /nfs/dbraw/zinc/19/14/59/412191459.db2.gz LMTXOZKHGFNIPT-LBPRGKRZSA-N 2 1 238.400 3.060 20 0 BGADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000665297414 412245109 /nfs/dbraw/zinc/24/51/09/412245109.db2.gz FOPNKWLJKPMWRU-CYBMUJFWSA-N 2 1 238.419 3.077 20 0 BGADMP C[NH2+]C[C@H](C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000665297415 412244941 /nfs/dbraw/zinc/24/49/41/412244941.db2.gz FOPNKWLJKPMWRU-ZDUSSCGKSA-N 2 1 238.419 3.077 20 0 BGADMP CC(C)(C)[NH2+]CC[N@@H+](C1CC1)C1CCCCC1 ZINC000666621438 487846311 /nfs/dbraw/zinc/84/63/11/487846311.db2.gz UFNJITLEDKFDHV-UHFFFAOYSA-N 2 1 238.419 3.172 20 0 BGADMP CC(C)(C)[NH2+]CC[N@H+](C1CC1)C1CCCCC1 ZINC000666621438 487846308 /nfs/dbraw/zinc/84/63/08/487846308.db2.gz UFNJITLEDKFDHV-UHFFFAOYSA-N 2 1 238.419 3.172 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccccc1C1CC1 ZINC000666759699 487874332 /nfs/dbraw/zinc/87/43/32/487874332.db2.gz LIXFWOKMLZUKOC-HNNXBMFYSA-N 2 1 246.398 3.171 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccccc1C1CC1 ZINC000666759701 487874308 /nfs/dbraw/zinc/87/43/08/487874308.db2.gz LIXFWOKMLZUKOC-OAHLLOKOSA-N 2 1 246.398 3.171 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccccc1C1CC1 ZINC000666798920 487882385 /nfs/dbraw/zinc/88/23/85/487882385.db2.gz RSDAOTVBIXZEGX-HNNXBMFYSA-N 2 1 246.398 3.027 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccccc1C1CC1 ZINC000666798922 487882003 /nfs/dbraw/zinc/88/20/03/487882003.db2.gz RSDAOTVBIXZEGX-OAHLLOKOSA-N 2 1 246.398 3.027 20 0 BGADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)C(C)(C)C ZINC000666801254 487863624 /nfs/dbraw/zinc/86/36/24/487863624.db2.gz COCJQMIODDVLCL-GXTWGEPZSA-N 2 1 240.435 3.166 20 0 BGADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)C(C)(C)C ZINC000666801255 487863926 /nfs/dbraw/zinc/86/39/26/487863926.db2.gz COCJQMIODDVLCL-JSGCOSHPSA-N 2 1 240.435 3.166 20 0 BGADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)C(C)(C)C ZINC000666801256 487863519 /nfs/dbraw/zinc/86/35/19/487863519.db2.gz COCJQMIODDVLCL-OCCSQVGLSA-N 2 1 240.435 3.166 20 0 BGADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)C(C)(C)C ZINC000666801257 487864884 /nfs/dbraw/zinc/86/48/84/487864884.db2.gz COCJQMIODDVLCL-TZMCWYRMSA-N 2 1 240.435 3.166 20 0 BGADMP C[C@H](CC1CCC1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000666801325 487881771 /nfs/dbraw/zinc/88/17/71/487881771.db2.gz TVZRXVYNXRRLAP-DOMZBBRYSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@H](CC1CCC1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000666801331 487882256 /nfs/dbraw/zinc/88/22/56/487882256.db2.gz TVZRXVYNXRRLAP-IUODEOHRSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](CC1CCC1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000666801333 487882655 /nfs/dbraw/zinc/88/26/55/487882655.db2.gz TVZRXVYNXRRLAP-SWLSCSKDSA-N 2 1 238.419 3.062 20 0 BGADMP C[C@@H](CC1CCC1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000666801336 487882213 /nfs/dbraw/zinc/88/22/13/487882213.db2.gz TVZRXVYNXRRLAP-WFASDCNBSA-N 2 1 238.419 3.062 20 0 BGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000666981137 487921468 /nfs/dbraw/zinc/92/14/68/487921468.db2.gz HUMUCTMRQBTXSS-CHWSQXEVSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000666981138 487920730 /nfs/dbraw/zinc/92/07/30/487920730.db2.gz HUMUCTMRQBTXSS-OLZOCXBDSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000666981139 487920763 /nfs/dbraw/zinc/92/07/63/487920763.db2.gz HUMUCTMRQBTXSS-QWHCGFSZSA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000666981140 487920768 /nfs/dbraw/zinc/92/07/68/487920768.db2.gz HUMUCTMRQBTXSS-STQMWFEESA-N 2 1 240.435 3.166 20 0 BGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccccc1C1CC1 ZINC000666981170 487920781 /nfs/dbraw/zinc/92/07/81/487920781.db2.gz VHZZKXNDESUVTO-HNNXBMFYSA-N 2 1 246.398 3.027 20 0 BGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1C1CC1 ZINC000666981171 487920937 /nfs/dbraw/zinc/92/09/37/487920937.db2.gz VHZZKXNDESUVTO-OAHLLOKOSA-N 2 1 246.398 3.027 20 0 BGADMP Cc1ncc(C[N@H+]2CCCC23CCCCC3)n1C ZINC000667674777 488083239 /nfs/dbraw/zinc/08/32/39/488083239.db2.gz PMWJIOOYZICOLO-UHFFFAOYSA-N 2 1 247.386 3.027 20 0 BGADMP CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cnc(C)n1C ZINC000667676172 488083504 /nfs/dbraw/zinc/08/35/04/488083504.db2.gz IGCYGPCGLJWUSJ-DOMZBBRYSA-N 2 1 249.402 3.129 20 0 BGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cnc(C)n1C ZINC000667676173 488083068 /nfs/dbraw/zinc/08/30/68/488083068.db2.gz IGCYGPCGLJWUSJ-IUODEOHRSA-N 2 1 249.402 3.129 20 0 BGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cnc(C)n1C ZINC000667676174 488083165 /nfs/dbraw/zinc/08/31/65/488083165.db2.gz IGCYGPCGLJWUSJ-SWLSCSKDSA-N 2 1 249.402 3.129 20 0 BGADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cnc(C)n1C ZINC000667676175 488083035 /nfs/dbraw/zinc/08/30/35/488083035.db2.gz IGCYGPCGLJWUSJ-WFASDCNBSA-N 2 1 249.402 3.129 20 0 BGADMP CCCCC[C@H]1CCC[N@H+]1Cc1cnc(C)n1C ZINC000667707242 488095077 /nfs/dbraw/zinc/09/50/77/488095077.db2.gz ULTBFVZHOMCWNA-AWEZNQCLSA-N 2 1 249.402 3.273 20 0 BGADMP CCCCC[C@@H]1CCC[N@H+]1Cc1cnc(C)n1C ZINC000667707243 488094990 /nfs/dbraw/zinc/09/49/90/488094990.db2.gz ULTBFVZHOMCWNA-CQSZACIVSA-N 2 1 249.402 3.273 20 0 BGADMP CCN(CC)[C@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670262019 487857984 /nfs/dbraw/zinc/85/79/84/487857984.db2.gz CZCPWWXGGOASQI-KBPBESRZSA-N 2 1 240.435 3.085 20 0 BGADMP CCN(CC)[C@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670262020 487857950 /nfs/dbraw/zinc/85/79/50/487857950.db2.gz CZCPWWXGGOASQI-KGLIPLIRSA-N 2 1 240.435 3.085 20 0 BGADMP CCN(CC)[C@@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670262021 487857836 /nfs/dbraw/zinc/85/78/36/487857836.db2.gz CZCPWWXGGOASQI-UONOGXRCSA-N 2 1 240.435 3.085 20 0 BGADMP CCN(CC)[C@@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670262022 487857915 /nfs/dbraw/zinc/85/79/15/487857915.db2.gz CZCPWWXGGOASQI-ZIAGYGMSSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)C(C)(C)C)CC1 ZINC000670262061 487857790 /nfs/dbraw/zinc/85/77/90/487857790.db2.gz JRNMDCXKFPRDGV-CYBMUJFWSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)C(C)(C)C)CC1 ZINC000670262061 487857784 /nfs/dbraw/zinc/85/77/84/487857784.db2.gz JRNMDCXKFPRDGV-CYBMUJFWSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)C(C)(C)C)CC1 ZINC000670262062 487858055 /nfs/dbraw/zinc/85/80/55/487858055.db2.gz JRNMDCXKFPRDGV-ZDUSSCGKSA-N 2 1 240.435 3.085 20 0 BGADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)C(C)(C)C)CC1 ZINC000670262062 487858049 /nfs/dbraw/zinc/85/80/49/487858049.db2.gz JRNMDCXKFPRDGV-ZDUSSCGKSA-N 2 1 240.435 3.085 20 0 BGADMP C[C@@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000670264966 487869545 /nfs/dbraw/zinc/86/95/45/487869545.db2.gz YNTCTZKGNQJRHE-BFHYXJOUSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000670264966 487869540 /nfs/dbraw/zinc/86/95/40/487869540.db2.gz YNTCTZKGNQJRHE-BFHYXJOUSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(C)(C)C ZINC000670264966 487869536 /nfs/dbraw/zinc/86/95/36/487869536.db2.gz YNTCTZKGNQJRHE-BFHYXJOUSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(C)(C)C ZINC000670264966 487869532 /nfs/dbraw/zinc/86/95/32/487869532.db2.gz YNTCTZKGNQJRHE-BFHYXJOUSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1)C(C)(C)C ZINC000670264966 487869527 /nfs/dbraw/zinc/86/95/27/487869527.db2.gz YNTCTZKGNQJRHE-BFHYXJOUSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000670264967 487869139 /nfs/dbraw/zinc/86/91/39/487869139.db2.gz YNTCTZKGNQJRHE-MCIONIFRSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000670264967 487869132 /nfs/dbraw/zinc/86/91/32/487869132.db2.gz YNTCTZKGNQJRHE-MCIONIFRSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(C)(C)C ZINC000670264967 487869126 /nfs/dbraw/zinc/86/91/26/487869126.db2.gz YNTCTZKGNQJRHE-MCIONIFRSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(C)(C)C ZINC000670264967 487869118 /nfs/dbraw/zinc/86/91/18/487869118.db2.gz YNTCTZKGNQJRHE-MCIONIFRSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1)C(C)(C)C ZINC000670264967 487869111 /nfs/dbraw/zinc/86/91/11/487869111.db2.gz YNTCTZKGNQJRHE-MCIONIFRSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000670264968 487869836 /nfs/dbraw/zinc/86/98/36/487869836.db2.gz YNTCTZKGNQJRHE-MGPQQGTHSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000670264968 487869831 /nfs/dbraw/zinc/86/98/31/487869831.db2.gz YNTCTZKGNQJRHE-MGPQQGTHSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(C)(C)C ZINC000670264968 487869824 /nfs/dbraw/zinc/86/98/24/487869824.db2.gz YNTCTZKGNQJRHE-MGPQQGTHSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(C)(C)C ZINC000670264968 487869818 /nfs/dbraw/zinc/86/98/18/487869818.db2.gz YNTCTZKGNQJRHE-MGPQQGTHSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1)C(C)(C)C ZINC000670264968 487869814 /nfs/dbraw/zinc/86/98/14/487869814.db2.gz YNTCTZKGNQJRHE-MGPQQGTHSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000670264969 487869028 /nfs/dbraw/zinc/86/90/28/487869028.db2.gz YNTCTZKGNQJRHE-MJBXVCDLSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000670264969 487869020 /nfs/dbraw/zinc/86/90/20/487869020.db2.gz YNTCTZKGNQJRHE-MJBXVCDLSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(C)(C)C ZINC000670264969 487869015 /nfs/dbraw/zinc/86/90/15/487869015.db2.gz YNTCTZKGNQJRHE-MJBXVCDLSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(C)(C)C ZINC000670264969 487869010 /nfs/dbraw/zinc/86/90/10/487869010.db2.gz YNTCTZKGNQJRHE-MJBXVCDLSA-N 2 1 240.435 3.083 20 0 BGADMP C[C@@H](C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1)C(C)(C)C ZINC000670264969 487869005 /nfs/dbraw/zinc/86/90/05/487869005.db2.gz YNTCTZKGNQJRHE-MJBXVCDLSA-N 2 1 240.435 3.083 20 0 BGADMP CC[C@@H](C[NH2+]C[C@H](C)C(C)(C)C)[NH+]1CCCC1 ZINC000670266588 487875233 /nfs/dbraw/zinc/87/52/33/487875233.db2.gz NAHXBKYVNWXDDH-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)[NH+]1CCCC1 ZINC000670266589 487875282 /nfs/dbraw/zinc/87/52/82/487875282.db2.gz NAHXBKYVNWXDDH-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C[NH2+]C[C@H](C)C(C)(C)C)[NH+]1CCCC1 ZINC000670266590 487875150 /nfs/dbraw/zinc/87/51/50/487875150.db2.gz NAHXBKYVNWXDDH-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)[NH+]1CCCC1 ZINC000670266591 487875077 /nfs/dbraw/zinc/87/50/77/487875077.db2.gz NAHXBKYVNWXDDH-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C(C)(C)C ZINC000670270384 487885254 /nfs/dbraw/zinc/88/52/54/487885254.db2.gz YWXCUDAVWZQVKF-KBPBESRZSA-N 2 1 240.435 3.085 20 0 BGADMP C[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C(C)(C)C ZINC000670270385 487885165 /nfs/dbraw/zinc/88/51/65/487885165.db2.gz YWXCUDAVWZQVKF-KGLIPLIRSA-N 2 1 240.435 3.085 20 0 BGADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C(C)(C)C ZINC000670270386 487885441 /nfs/dbraw/zinc/88/54/41/487885441.db2.gz YWXCUDAVWZQVKF-UONOGXRCSA-N 2 1 240.435 3.085 20 0 BGADMP C[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C(C)(C)C ZINC000670270387 487884994 /nfs/dbraw/zinc/88/49/94/487884994.db2.gz YWXCUDAVWZQVKF-ZIAGYGMSSA-N 2 1 240.435 3.085 20 0 BGADMP C[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)C(C)(C)C ZINC000670270825 487889234 /nfs/dbraw/zinc/88/92/34/487889234.db2.gz NXMUVXLULZDGAG-AWEZNQCLSA-N 2 1 240.435 3.086 20 0 BGADMP C[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)C(C)(C)C ZINC000670270826 487888956 /nfs/dbraw/zinc/88/89/56/487888956.db2.gz NXMUVXLULZDGAG-CQSZACIVSA-N 2 1 240.435 3.086 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1CCC1 ZINC000671770582 487881933 /nfs/dbraw/zinc/88/19/33/487881933.db2.gz VZGGJYYYOKXLPH-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1CCC1 ZINC000671770582 487881929 /nfs/dbraw/zinc/88/19/29/487881929.db2.gz VZGGJYYYOKXLPH-HIFRSBDPSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1CCC1 ZINC000671770583 487881830 /nfs/dbraw/zinc/88/18/30/487881830.db2.gz VZGGJYYYOKXLPH-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1CCC1 ZINC000671770583 487881826 /nfs/dbraw/zinc/88/18/26/487881826.db2.gz VZGGJYYYOKXLPH-ZFWWWQNUSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000676207621 487820894 /nfs/dbraw/zinc/82/08/94/487820894.db2.gz YIWDFXZIMAUMAC-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000676207621 487820890 /nfs/dbraw/zinc/82/08/90/487820890.db2.gz YIWDFXZIMAUMAC-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000676207624 487821295 /nfs/dbraw/zinc/82/12/95/487821295.db2.gz YIWDFXZIMAUMAC-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000676207624 487821290 /nfs/dbraw/zinc/82/12/90/487821290.db2.gz YIWDFXZIMAUMAC-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000678121116 488200368 /nfs/dbraw/zinc/20/03/68/488200368.db2.gz PVEQLLAOEKZMNU-UHFFFAOYSA-N 2 1 248.414 3.370 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000681412563 487796706 /nfs/dbraw/zinc/79/67/06/487796706.db2.gz ZDOIEIITQFOPBE-DZGCQCFKSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000681412565 487796955 /nfs/dbraw/zinc/79/69/55/487796955.db2.gz ZDOIEIITQFOPBE-HIFRSBDPSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000681412566 487796263 /nfs/dbraw/zinc/79/62/63/487796263.db2.gz ZDOIEIITQFOPBE-UKRRQHHQSA-N 2 1 249.402 3.140 20 0 BGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000681412568 487796353 /nfs/dbraw/zinc/79/63/53/487796353.db2.gz ZDOIEIITQFOPBE-ZFWWWQNUSA-N 2 1 249.402 3.140 20 0 BGADMP CC[NH+](CC)CCC[NH+]1C2CCCC1CCC2 ZINC000683140902 488118024 /nfs/dbraw/zinc/11/80/24/488118024.db2.gz INTZUKKKBMBUDW-UHFFFAOYSA-N 2 1 238.419 3.125 20 0 BGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000685003031 487490494 /nfs/dbraw/zinc/49/04/94/487490494.db2.gz VOAICKJQZZVEFZ-CABCVRRESA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000685003031 487490492 /nfs/dbraw/zinc/49/04/92/487490492.db2.gz VOAICKJQZZVEFZ-CABCVRRESA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000685003032 487490194 /nfs/dbraw/zinc/49/01/94/487490194.db2.gz VOAICKJQZZVEFZ-GJZGRUSLSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000685003032 487490189 /nfs/dbraw/zinc/49/01/89/487490189.db2.gz VOAICKJQZZVEFZ-GJZGRUSLSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000685003033 487490292 /nfs/dbraw/zinc/49/02/92/487490292.db2.gz VOAICKJQZZVEFZ-HUUCEWRRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000685003033 487490290 /nfs/dbraw/zinc/49/02/90/487490290.db2.gz VOAICKJQZZVEFZ-HUUCEWRRSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000685003034 487490139 /nfs/dbraw/zinc/49/01/39/487490139.db2.gz VOAICKJQZZVEFZ-LSDHHAIUSA-N 2 1 240.435 3.131 20 0 BGADMP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000685003034 487490135 /nfs/dbraw/zinc/49/01/35/487490135.db2.gz VOAICKJQZZVEFZ-LSDHHAIUSA-N 2 1 240.435 3.131 20 0 BGADMP CCC(C)(C)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000685004252 487491224 /nfs/dbraw/zinc/49/12/24/487491224.db2.gz NHRSQODQROGVCY-UHFFFAOYSA-N 2 1 240.435 3.230 20 0 BGADMP CCCc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000685452245 487526104 /nfs/dbraw/zinc/52/61/04/487526104.db2.gz DIGYFPIWRRONEU-UHFFFAOYSA-N 2 1 248.414 3.023 20 0 BGADMP CCCc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000685452245 487526100 /nfs/dbraw/zinc/52/61/00/487526100.db2.gz DIGYFPIWRRONEU-UHFFFAOYSA-N 2 1 248.414 3.023 20 0 BGADMP CCC[C@H](C)C[N@@H+](CCC)CCC[NH+](C)C ZINC000685462729 487530911 /nfs/dbraw/zinc/53/09/11/487530911.db2.gz YKXHKVIAGWXMPC-AWEZNQCLSA-N 2 1 228.424 3.086 20 0 BGADMP CCC[C@@H](C)C[N@@H+](CCC)CCC[NH+](C)C ZINC000685462730 487530933 /nfs/dbraw/zinc/53/09/33/487530933.db2.gz YKXHKVIAGWXMPC-CQSZACIVSA-N 2 1 228.424 3.086 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCCCCC1 ZINC000685632992 488096825 /nfs/dbraw/zinc/09/68/25/488096825.db2.gz ASSDZPHKNBWGCT-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCCCCC1 ZINC000685632992 488096820 /nfs/dbraw/zinc/09/68/20/488096820.db2.gz ASSDZPHKNBWGCT-CQSZACIVSA-N 2 1 240.435 3.419 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000685657861 487571019 /nfs/dbraw/zinc/57/10/19/487571019.db2.gz GHCONQPBZNKNCB-WLYUNCDWSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CC(C(C)C)C1 ZINC000685657861 487571015 /nfs/dbraw/zinc/57/10/15/487571015.db2.gz GHCONQPBZNKNCB-WLYUNCDWSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000685657963 487570866 /nfs/dbraw/zinc/57/08/66/487570866.db2.gz YCJNDWDPUFPLCD-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000685657963 487570860 /nfs/dbraw/zinc/57/08/60/487570860.db2.gz YCJNDWDPUFPLCD-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000685657964 487570914 /nfs/dbraw/zinc/57/09/14/487570914.db2.gz YCJNDWDPUFPLCD-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000685657964 487570910 /nfs/dbraw/zinc/57/09/10/487570910.db2.gz YCJNDWDPUFPLCD-KFWWJZLASA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000685657965 487570956 /nfs/dbraw/zinc/57/09/56/487570956.db2.gz YCJNDWDPUFPLCD-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000685657965 487570949 /nfs/dbraw/zinc/57/09/49/487570949.db2.gz YCJNDWDPUFPLCD-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000685657966 487571187 /nfs/dbraw/zinc/57/11/87/487571187.db2.gz YCJNDWDPUFPLCD-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000685657966 487571184 /nfs/dbraw/zinc/57/11/84/487571184.db2.gz YCJNDWDPUFPLCD-RBSFLKMASA-N 2 1 240.435 3.131 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000685657969 487570611 /nfs/dbraw/zinc/57/06/11/487570611.db2.gz YIWDFXZIMAUMAC-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000685657969 487570606 /nfs/dbraw/zinc/57/06/06/487570606.db2.gz YIWDFXZIMAUMAC-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000685657970 487570884 /nfs/dbraw/zinc/57/08/84/487570884.db2.gz YIWDFXZIMAUMAC-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000685657970 487570879 /nfs/dbraw/zinc/57/08/79/487570879.db2.gz YIWDFXZIMAUMAC-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000685666088 487571100 /nfs/dbraw/zinc/57/11/00/487571100.db2.gz ZNNBXMZMAUUDNH-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000685666088 487571097 /nfs/dbraw/zinc/57/10/97/487571097.db2.gz ZNNBXMZMAUUDNH-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000685666089 487571225 /nfs/dbraw/zinc/57/12/25/487571225.db2.gz ZNNBXMZMAUUDNH-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000685666089 487571223 /nfs/dbraw/zinc/57/12/23/487571223.db2.gz ZNNBXMZMAUUDNH-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000685666225 487573287 /nfs/dbraw/zinc/57/32/87/487573287.db2.gz ZNNBXMZMAUUDNH-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000685666225 487573285 /nfs/dbraw/zinc/57/32/85/487573285.db2.gz ZNNBXMZMAUUDNH-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000685666226 487573460 /nfs/dbraw/zinc/57/34/60/487573460.db2.gz ZNNBXMZMAUUDNH-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000685666226 487573455 /nfs/dbraw/zinc/57/34/55/487573455.db2.gz ZNNBXMZMAUUDNH-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000700305854 711988942 /nfs/dbraw/zinc/98/89/42/711988942.db2.gz NVFDAMSZMLTQJL-CABCVRRESA-N 2 1 246.398 3.069 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000700305858 711988781 /nfs/dbraw/zinc/98/87/81/711988781.db2.gz NVFDAMSZMLTQJL-GJZGRUSLSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000700305861 711989300 /nfs/dbraw/zinc/98/93/00/711989300.db2.gz NVFDAMSZMLTQJL-HUUCEWRRSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000700305864 711989346 /nfs/dbraw/zinc/98/93/46/711989346.db2.gz NVFDAMSZMLTQJL-LSDHHAIUSA-N 2 1 246.398 3.069 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700787827 712005186 /nfs/dbraw/zinc/00/51/86/712005186.db2.gz NXZSBGRYWSSICY-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700787828 712005250 /nfs/dbraw/zinc/00/52/50/712005250.db2.gz NXZSBGRYWSSICY-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700787829 712005379 /nfs/dbraw/zinc/00/53/79/712005379.db2.gz NXZSBGRYWSSICY-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700787830 712004833 /nfs/dbraw/zinc/00/48/33/712004833.db2.gz NXZSBGRYWSSICY-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700818920 712007588 /nfs/dbraw/zinc/00/75/88/712007588.db2.gz PFBXLJNMIYXCQK-CABCVRRESA-N 2 1 240.435 3.277 20 0 BGADMP CCCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700818921 712007139 /nfs/dbraw/zinc/00/71/39/712007139.db2.gz PFBXLJNMIYXCQK-GJZGRUSLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700818922 712007970 /nfs/dbraw/zinc/00/79/70/712007970.db2.gz PFBXLJNMIYXCQK-HUUCEWRRSA-N 2 1 240.435 3.277 20 0 BGADMP CCCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700818923 712007658 /nfs/dbraw/zinc/00/76/58/712007658.db2.gz PFBXLJNMIYXCQK-LSDHHAIUSA-N 2 1 240.435 3.277 20 0 BGADMP C[C@H]1CCCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000703258557 712070165 /nfs/dbraw/zinc/07/01/65/712070165.db2.gz SPTQHCFCCLPYKM-AWEZNQCLSA-N 2 1 226.408 3.018 20 0 BGADMP C[C@@H]1CCCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000703258560 712070110 /nfs/dbraw/zinc/07/01/10/712070110.db2.gz SPTQHCFCCLPYKM-CQSZACIVSA-N 2 1 226.408 3.018 20 0 BGADMP Cc1ccc(C[N@@H+](C)CCCCCC[NH3+])s1 ZINC000703301382 712369756 /nfs/dbraw/zinc/36/97/56/712369756.db2.gz RIISIXLCUMJFJI-UHFFFAOYSA-N 2 1 240.416 3.007 20 0 BGADMP CC(C)CCCC[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000703953578 712092964 /nfs/dbraw/zinc/09/29/64/712092964.db2.gz BKJOVJUJMGYZRC-HNNXBMFYSA-N 2 1 240.435 3.133 20 0 BGADMP CC(C)CCCC[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000703953580 712092938 /nfs/dbraw/zinc/09/29/38/712092938.db2.gz BKJOVJUJMGYZRC-OAHLLOKOSA-N 2 1 240.435 3.133 20 0 BGADMP [NH3+]CCCCCCC[N@H+]1CCCC(F)(F)CC1 ZINC000705746397 712135786 /nfs/dbraw/zinc/13/57/86/712135786.db2.gz OVUPLIKWJNDWSS-UHFFFAOYSA-N 2 1 248.361 3.017 20 0 BGADMP CC[N@@H+](CCCCCCC[NH3+])[C@@H](C)C(C)C ZINC000706450188 712145043 /nfs/dbraw/zinc/14/50/43/712145043.db2.gz ZASUSIKJLJMOAH-AWEZNQCLSA-N 2 1 228.424 3.262 20 0 BGADMP CCC[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000708485976 712211344 /nfs/dbraw/zinc/21/13/44/712211344.db2.gz KMVKUPSZIUOFKH-AWEZNQCLSA-N 2 1 226.408 3.018 20 0 BGADMP CCC[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000708485979 712211180 /nfs/dbraw/zinc/21/11/80/712211180.db2.gz KMVKUPSZIUOFKH-CQSZACIVSA-N 2 1 226.408 3.018 20 0 BGADMP C[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)CC(C)(C)C ZINC000709102126 712208730 /nfs/dbraw/zinc/20/87/30/712208730.db2.gz DTAZJQXDVDVMDY-HSBZDZAISA-N 2 1 240.435 3.260 20 0 BGADMP C[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)CC(C)(C)C ZINC000709102127 712208878 /nfs/dbraw/zinc/20/88/78/712208878.db2.gz DTAZJQXDVDVMDY-IYXRBSQSSA-N 2 1 240.435 3.260 20 0 BGADMP C[C@@H](C1CCCCC1)[N@@H+](C)CCCCCC[NH3+] ZINC000710723744 712255759 /nfs/dbraw/zinc/25/57/59/712255759.db2.gz HICKVBLYRHHFEK-AWEZNQCLSA-N 2 1 240.435 3.406 20 0 BGADMP Cc1ccc(C[N@@H+](C)CCCCCC[NH3+])c(C)c1 ZINC000710729036 712255660 /nfs/dbraw/zinc/25/56/60/712255660.db2.gz FOMDIALHOJWJNF-UHFFFAOYSA-N 2 1 248.414 3.254 20 0 BGADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCc2ccccc21 ZINC000710730936 712255385 /nfs/dbraw/zinc/25/53/85/712255385.db2.gz ZWPOXJHRAQSZED-INIZCTEOSA-N 2 1 246.398 3.125 20 0 BGADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000710730937 712255516 /nfs/dbraw/zinc/25/55/16/712255516.db2.gz ZWPOXJHRAQSZED-MRXNPFEDSA-N 2 1 246.398 3.125 20 0 BGADMP C[N@@H+](CCCCCC[NH3+])CCC1CCCC1 ZINC000710748537 712255716 /nfs/dbraw/zinc/25/57/16/712255716.db2.gz DANSZGNNRFFUHG-UHFFFAOYSA-N 2 1 226.408 3.018 20 0 BGADMP CC1CCC(C[N@@H+](C)CCCCCC[NH3+])CC1 ZINC000710750928 712256603 /nfs/dbraw/zinc/25/66/03/712256603.db2.gz PSIQIQLRPRDPCS-UHFFFAOYSA-N 2 1 240.435 3.264 20 0 BGADMP C[N@@H+](CCCCCC[NH3+])CCC1CCCCC1 ZINC000710751101 712256630 /nfs/dbraw/zinc/25/66/30/712256630.db2.gz RTLYDHYSFFZFQK-UHFFFAOYSA-N 2 1 240.435 3.408 20 0 BGADMP C[C@@H](C[N@@H+](C)CCCCCC[NH3+])c1ccccc1 ZINC000710763691 712256526 /nfs/dbraw/zinc/25/65/26/712256526.db2.gz ACPWGSSBZOHORW-HNNXBMFYSA-N 2 1 248.414 3.241 20 0 BGADMP C[C@H](C[N@@H+](C)CCCCCC[NH3+])c1ccccc1 ZINC000710763693 712256628 /nfs/dbraw/zinc/25/66/28/712256628.db2.gz ACPWGSSBZOHORW-OAHLLOKOSA-N 2 1 248.414 3.241 20 0 BGADMP C[N@H+](C/C=C/c1ccccc1)CCCCCC[NH3+] ZINC000710765172 712256445 /nfs/dbraw/zinc/25/64/45/712256445.db2.gz KXNSTMSQMGOLKE-FMIVXFBMSA-N 2 1 246.398 3.151 20 0 BGADMP C[N@H+](C/C=C\c1ccccc1)CCCCCC[NH3+] ZINC000710765176 712256759 /nfs/dbraw/zinc/25/67/59/712256759.db2.gz KXNSTMSQMGOLKE-XFXZXTDPSA-N 2 1 246.398 3.151 20 0 BGADMP Cc1cc(C)cc(C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000710767252 712256360 /nfs/dbraw/zinc/25/63/60/712256360.db2.gz SSYAERHNRIRVNM-UHFFFAOYSA-N 2 1 248.414 3.254 20 0 BGADMP Cc1cc[nH+]c(NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000715584126 712527101 /nfs/dbraw/zinc/52/71/01/712527101.db2.gz FOOGIYZNVPPTRR-UHFFFAOYSA-N 2 1 247.386 3.065 20 0 BGADMP Cc1cccc(NC2CCC(C)([NH+](C)C)CC2)[nH+]1 ZINC000715585903 712527163 /nfs/dbraw/zinc/52/71/63/712527163.db2.gz NWLICWUCKWBVRR-UHFFFAOYSA-N 2 1 247.386 3.065 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723601084 711523625 /nfs/dbraw/zinc/52/36/25/711523625.db2.gz XXRYWVZBNJBDJS-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723601086 711523521 /nfs/dbraw/zinc/52/35/21/711523521.db2.gz XXRYWVZBNJBDJS-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723601497 711524069 /nfs/dbraw/zinc/52/40/69/711524069.db2.gz ZZKWHZPELNYVKX-KBPBESRZSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723601497 711524066 /nfs/dbraw/zinc/52/40/66/711524066.db2.gz ZZKWHZPELNYVKX-KBPBESRZSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723601499 711524021 /nfs/dbraw/zinc/52/40/21/711524021.db2.gz ZZKWHZPELNYVKX-KGLIPLIRSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723601499 711524019 /nfs/dbraw/zinc/52/40/19/711524019.db2.gz ZZKWHZPELNYVKX-KGLIPLIRSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723601501 711524159 /nfs/dbraw/zinc/52/41/59/711524159.db2.gz ZZKWHZPELNYVKX-UONOGXRCSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723601501 711524158 /nfs/dbraw/zinc/52/41/58/711524158.db2.gz ZZKWHZPELNYVKX-UONOGXRCSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723601503 711524003 /nfs/dbraw/zinc/52/40/03/711524003.db2.gz ZZKWHZPELNYVKX-ZIAGYGMSSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723601503 711524001 /nfs/dbraw/zinc/52/40/01/711524001.db2.gz ZZKWHZPELNYVKX-ZIAGYGMSSA-N 2 1 238.419 3.028 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900637 711544068 /nfs/dbraw/zinc/54/40/68/711544068.db2.gz LBHZSGXTOOCECG-FVQBIDKESA-N 2 1 246.398 3.054 20 0 BGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723912202 710734865 /nfs/dbraw/zinc/73/48/65/710734865.db2.gz LBHZSGXTOOCECG-BMFZPTHFSA-N 2 1 246.398 3.054 20 0 BGADMP CCCCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000740876090 644561876 /nfs/dbraw/zinc/56/18/76/644561876.db2.gz NKTXVRBHUUZZJT-UHFFFAOYSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000740883632 585107870 /nfs/dbraw/zinc/10/78/70/585107870.db2.gz PEJBIBPYWJRDRN-CABCVRRESA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000740883632 585107869 /nfs/dbraw/zinc/10/78/69/585107869.db2.gz PEJBIBPYWJRDRN-CABCVRRESA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000740883632 585107868 /nfs/dbraw/zinc/10/78/68/585107868.db2.gz PEJBIBPYWJRDRN-CABCVRRESA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000740883633 585107905 /nfs/dbraw/zinc/10/79/05/585107905.db2.gz PEJBIBPYWJRDRN-GJZGRUSLSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000740883633 585107904 /nfs/dbraw/zinc/10/79/04/585107904.db2.gz PEJBIBPYWJRDRN-GJZGRUSLSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000740883633 585107903 /nfs/dbraw/zinc/10/79/03/585107903.db2.gz PEJBIBPYWJRDRN-GJZGRUSLSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000740883634 585107861 /nfs/dbraw/zinc/10/78/61/585107861.db2.gz PEJBIBPYWJRDRN-HUUCEWRRSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000740883634 585107860 /nfs/dbraw/zinc/10/78/60/585107860.db2.gz PEJBIBPYWJRDRN-HUUCEWRRSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000740883634 585107859 /nfs/dbraw/zinc/10/78/59/585107859.db2.gz PEJBIBPYWJRDRN-HUUCEWRRSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000740883635 585107893 /nfs/dbraw/zinc/10/78/93/585107893.db2.gz PEJBIBPYWJRDRN-LSDHHAIUSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000740883635 585107892 /nfs/dbraw/zinc/10/78/92/585107892.db2.gz PEJBIBPYWJRDRN-LSDHHAIUSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000740883635 585107891 /nfs/dbraw/zinc/10/78/91/585107891.db2.gz PEJBIBPYWJRDRN-LSDHHAIUSA-N 2 1 240.435 3.371 20 0 BGADMP CCCCCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000743855274 585141095 /nfs/dbraw/zinc/14/10/95/585141095.db2.gz JDJLZUIYFWISSV-HNNXBMFYSA-N 2 1 240.435 3.373 20 0 BGADMP CCCCCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000743855274 585141094 /nfs/dbraw/zinc/14/10/94/585141094.db2.gz JDJLZUIYFWISSV-HNNXBMFYSA-N 2 1 240.435 3.373 20 0 BGADMP CCCCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000743855274 585141093 /nfs/dbraw/zinc/14/10/93/585141093.db2.gz JDJLZUIYFWISSV-HNNXBMFYSA-N 2 1 240.435 3.373 20 0 BGADMP CCCCCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000743855275 585141361 /nfs/dbraw/zinc/14/13/61/585141361.db2.gz JDJLZUIYFWISSV-OAHLLOKOSA-N 2 1 240.435 3.373 20 0 BGADMP CCCCCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000743855275 585141360 /nfs/dbraw/zinc/14/13/60/585141360.db2.gz JDJLZUIYFWISSV-OAHLLOKOSA-N 2 1 240.435 3.373 20 0 BGADMP CCCCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000743855275 585141359 /nfs/dbraw/zinc/14/13/59/585141359.db2.gz JDJLZUIYFWISSV-OAHLLOKOSA-N 2 1 240.435 3.373 20 0 BGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCCCCC1 ZINC000755051449 585293772 /nfs/dbraw/zinc/29/37/72/585293772.db2.gz RFKOMESOPHXXFS-HNNXBMFYSA-N 2 1 238.419 3.127 20 0 BGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCCCCC1 ZINC000755051450 585293896 /nfs/dbraw/zinc/29/38/96/585293896.db2.gz RFKOMESOPHXXFS-OAHLLOKOSA-N 2 1 238.419 3.127 20 0 BGADMP Cc1[nH+]ccn1CC[N@H+](C)C1CCCCCCC1 ZINC000762377822 585431384 /nfs/dbraw/zinc/43/13/84/585431384.db2.gz PKUMDRMPGSQNPH-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCCCCCC1 ZINC000762377822 585431383 /nfs/dbraw/zinc/43/13/83/585431383.db2.gz PKUMDRMPGSQNPH-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP Cc1cccc([C@H](C)NCC[N@H+]2CCC[C@H]2C)c1 ZINC000766272502 585500249 /nfs/dbraw/zinc/50/02/49/585500249.db2.gz YECLCFGWYZLSIZ-CABCVRRESA-N 2 1 246.398 3.130 20 0 BGADMP Cc1cccc([C@H](C)NCC[N@H+]2CCC[C@@H]2C)c1 ZINC000766272505 585500187 /nfs/dbraw/zinc/50/01/87/585500187.db2.gz YECLCFGWYZLSIZ-GJZGRUSLSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1cccc([C@@H](C)NCC[N@H+]2CCC[C@H]2C)c1 ZINC000766272507 585500232 /nfs/dbraw/zinc/50/02/32/585500232.db2.gz YECLCFGWYZLSIZ-HUUCEWRRSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1cccc([C@@H](C)NCC[N@H+]2CCC[C@@H]2C)c1 ZINC000766272510 585500103 /nfs/dbraw/zinc/50/01/03/585500103.db2.gz YECLCFGWYZLSIZ-LSDHHAIUSA-N 2 1 246.398 3.130 20 0 BGADMP CC[C@H](C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768766334 585542634 /nfs/dbraw/zinc/54/26/34/585542634.db2.gz JIAXIKMPBCOPKX-AWEZNQCLSA-N 2 1 248.414 3.226 20 0 BGADMP CC[C@@H](C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768766336 585542561 /nfs/dbraw/zinc/54/25/61/585542561.db2.gz JIAXIKMPBCOPKX-CQSZACIVSA-N 2 1 248.414 3.226 20 0 BGADMP CCC[C@@H](C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000775716118 585683457 /nfs/dbraw/zinc/68/34/57/585683457.db2.gz BXNKBKLLKUOROJ-CABCVRRESA-N 2 1 240.435 3.229 20 0 BGADMP CCC[C@@H](C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000775716118 585683456 /nfs/dbraw/zinc/68/34/56/585683456.db2.gz BXNKBKLLKUOROJ-CABCVRRESA-N 2 1 240.435 3.229 20 0 BGADMP CCC[C@H](C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000775716125 585683370 /nfs/dbraw/zinc/68/33/70/585683370.db2.gz BXNKBKLLKUOROJ-GJZGRUSLSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[C@H](C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000775716125 585683369 /nfs/dbraw/zinc/68/33/69/585683369.db2.gz BXNKBKLLKUOROJ-GJZGRUSLSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[C@@H](C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000775716126 585683342 /nfs/dbraw/zinc/68/33/42/585683342.db2.gz BXNKBKLLKUOROJ-HUUCEWRRSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[C@@H](C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000775716126 585683341 /nfs/dbraw/zinc/68/33/41/585683341.db2.gz BXNKBKLLKUOROJ-HUUCEWRRSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[C@H](C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000775716128 585683479 /nfs/dbraw/zinc/68/34/79/585683479.db2.gz BXNKBKLLKUOROJ-LSDHHAIUSA-N 2 1 240.435 3.229 20 0 BGADMP CCC[C@H](C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000775716128 585683478 /nfs/dbraw/zinc/68/34/78/585683478.db2.gz BXNKBKLLKUOROJ-LSDHHAIUSA-N 2 1 240.435 3.229 20 0 BGADMP C1=CC[NH+](CCCCCC[N@@H+]2CC=CCC2)CC1 ZINC000778965304 585742901 /nfs/dbraw/zinc/74/29/01/585742901.db2.gz AVIXVQQKUMQUPQ-UHFFFAOYSA-N 2 1 248.414 3.071 20 0 BGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@H]1C)CC(C)C ZINC000783211922 585831002 /nfs/dbraw/zinc/83/10/02/585831002.db2.gz PKNFHNSSTIFYIF-ILXRZTDVSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H]1C)CC(C)C ZINC000783211925 585830980 /nfs/dbraw/zinc/83/09/80/585830980.db2.gz PKNFHNSSTIFYIF-KKUMJFAQSA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H]1C)CC(C)C ZINC000783211926 585830905 /nfs/dbraw/zinc/83/09/05/585830905.db2.gz PKNFHNSSTIFYIF-QLFBSQMISA-N 2 1 240.435 3.131 20 0 BGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H]1C)CC(C)C ZINC000783211927 585830952 /nfs/dbraw/zinc/83/09/52/585830952.db2.gz PKNFHNSSTIFYIF-SOUVJXGZSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000783226081 585831530 /nfs/dbraw/zinc/83/15/30/585831530.db2.gz ZPEBDJIBAGQTGA-ILXRZTDVSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000783226082 585831541 /nfs/dbraw/zinc/83/15/41/585831541.db2.gz ZPEBDJIBAGQTGA-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000783226083 585831360 /nfs/dbraw/zinc/83/13/60/585831360.db2.gz ZPEBDJIBAGQTGA-QLFBSQMISA-N 2 1 238.419 3.029 20 0 BGADMP C[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000783226084 585831396 /nfs/dbraw/zinc/83/13/96/585831396.db2.gz ZPEBDJIBAGQTGA-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C ZINC000783237500 585831732 /nfs/dbraw/zinc/83/17/32/585831732.db2.gz BMNSBAGNBCYWLT-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C ZINC000783237500 585831731 /nfs/dbraw/zinc/83/17/31/585831731.db2.gz BMNSBAGNBCYWLT-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C ZINC000783237502 585831592 /nfs/dbraw/zinc/83/15/92/585831592.db2.gz BMNSBAGNBCYWLT-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C ZINC000783237502 585831591 /nfs/dbraw/zinc/83/15/91/585831591.db2.gz BMNSBAGNBCYWLT-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C ZINC000783237505 585831675 /nfs/dbraw/zinc/83/16/75/585831675.db2.gz BMNSBAGNBCYWLT-RRFJBIMHSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C ZINC000783237505 585831674 /nfs/dbraw/zinc/83/16/74/585831674.db2.gz BMNSBAGNBCYWLT-RRFJBIMHSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C ZINC000783237508 585831764 /nfs/dbraw/zinc/83/17/64/585831764.db2.gz BMNSBAGNBCYWLT-ZNMIVQPWSA-N 2 1 238.419 3.029 20 0 BGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C ZINC000783237508 585831763 /nfs/dbraw/zinc/83/17/63/585831763.db2.gz BMNSBAGNBCYWLT-ZNMIVQPWSA-N 2 1 238.419 3.029 20 0 BGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000783238910 585832003 /nfs/dbraw/zinc/83/20/03/585832003.db2.gz HODMTSUMKWFRIW-BBRMVZONSA-N 2 1 246.398 3.026 20 0 BGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000783238912 585831848 /nfs/dbraw/zinc/83/18/48/585831848.db2.gz HODMTSUMKWFRIW-CJNGLKHVSA-N 2 1 246.398 3.026 20 0 BGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000783238914 582951907 /nfs/dbraw/zinc/95/19/07/582951907.db2.gz HODMTSUMKWFRIW-CZUORRHYSA-N 2 1 246.398 3.026 20 0 BGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000783238917 582951900 /nfs/dbraw/zinc/95/19/00/582951900.db2.gz HODMTSUMKWFRIW-XJKSGUPXSA-N 2 1 246.398 3.026 20 0 BGADMP CCCCC[N@@H+](CC1CC[NH+](C)CC1)C(C)C ZINC000788473986 585925133 /nfs/dbraw/zinc/92/51/33/585925133.db2.gz FMOYDKBHECXAFG-UHFFFAOYSA-N 2 1 240.435 3.229 20 0 BGADMP C[C@H]1CCC[N@H+]1CC[NH2+]CCC1CCCCC1 ZINC000792173617 644794114 /nfs/dbraw/zinc/79/41/14/644794114.db2.gz HLQDSVMFDCPATC-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@H]1CCC[N@@H+]1CC[NH2+]CCC1CCCCC1 ZINC000792173617 644794105 /nfs/dbraw/zinc/79/41/05/644794105.db2.gz HLQDSVMFDCPATC-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@@H]1CCC[N@H+]1CC[NH2+]CCC1CCCCC1 ZINC000792173626 644794626 /nfs/dbraw/zinc/79/46/26/644794626.db2.gz HLQDSVMFDCPATC-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCC1CCCCC1 ZINC000792173626 644794624 /nfs/dbraw/zinc/79/46/24/644794624.db2.gz HLQDSVMFDCPATC-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000796665184 586109900 /nfs/dbraw/zinc/10/99/00/586109900.db2.gz FTAHHFXMUVIMBR-KFWWJZLASA-N 2 1 238.419 3.029 20 0 BGADMP CCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796665189 586109875 /nfs/dbraw/zinc/10/98/75/586109875.db2.gz FTAHHFXMUVIMBR-RBSFLKMASA-N 2 1 238.419 3.029 20 0 BGADMP CCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000796665191 586109882 /nfs/dbraw/zinc/10/98/82/586109882.db2.gz FTAHHFXMUVIMBR-RRFJBIMHSA-N 2 1 238.419 3.029 20 0 BGADMP CCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000796665193 586109872 /nfs/dbraw/zinc/10/98/72/586109872.db2.gz FTAHHFXMUVIMBR-ZNMIVQPWSA-N 2 1 238.419 3.029 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000797111273 644816818 /nfs/dbraw/zinc/81/68/18/644816818.db2.gz APZAGSDMCXFZHM-CABCVRRESA-N 2 1 240.435 3.419 20 0 BGADMP CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000797111273 644816815 /nfs/dbraw/zinc/81/68/15/644816815.db2.gz APZAGSDMCXFZHM-CABCVRRESA-N 2 1 240.435 3.419 20 0 BGADMP CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000797111274 644817085 /nfs/dbraw/zinc/81/70/85/644817085.db2.gz APZAGSDMCXFZHM-GJZGRUSLSA-N 2 1 240.435 3.419 20 0 BGADMP CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000797111274 644817081 /nfs/dbraw/zinc/81/70/81/644817081.db2.gz APZAGSDMCXFZHM-GJZGRUSLSA-N 2 1 240.435 3.419 20 0 BGADMP CC(C)=CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739167 586515881 /nfs/dbraw/zinc/51/58/81/586515881.db2.gz ZTOZKIWBRCNDLZ-UHFFFAOYSA-N 2 1 246.398 3.146 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000817964026 586853868 /nfs/dbraw/zinc/85/38/68/586853868.db2.gz XHVQEVPGPWFJCK-GDBMZVCRSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000817964027 586854243 /nfs/dbraw/zinc/85/42/43/586854243.db2.gz XHVQEVPGPWFJCK-GOEBONIOSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000817964028 586854326 /nfs/dbraw/zinc/85/43/26/586854326.db2.gz XHVQEVPGPWFJCK-HOCLYGCPSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000817964029 586854267 /nfs/dbraw/zinc/85/42/67/586854267.db2.gz XHVQEVPGPWFJCK-ZBFHGGJFSA-N 2 1 246.398 3.089 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CSC(C)(C)C ZINC000817964204 586853820 /nfs/dbraw/zinc/85/38/20/586853820.db2.gz ZJBCJLUYCMONHY-NEPJUHHUSA-N 2 1 246.464 3.014 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CSC(C)(C)C ZINC000817964205 586853915 /nfs/dbraw/zinc/85/39/15/586853915.db2.gz ZJBCJLUYCMONHY-NWDGAFQWSA-N 2 1 246.464 3.014 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CSC(C)(C)C ZINC000817964206 586853801 /nfs/dbraw/zinc/85/38/01/586853801.db2.gz ZJBCJLUYCMONHY-RYUDHWBXSA-N 2 1 246.464 3.014 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CSC(C)(C)C ZINC000817964207 586853839 /nfs/dbraw/zinc/85/38/39/586853839.db2.gz ZJBCJLUYCMONHY-VXGBXAGGSA-N 2 1 246.464 3.014 20 0 BGADMP CCCCC[C@H]([NH2+][C@H](C)C[NH3+])c1ccccc1 ZINC000817966833 586854707 /nfs/dbraw/zinc/85/47/07/586854707.db2.gz WWGJHTNGSCMEIA-HIFRSBDPSA-N 2 1 234.387 3.245 20 0 BGADMP CCCCC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccccc1 ZINC000817966834 586854843 /nfs/dbraw/zinc/85/48/43/586854843.db2.gz WWGJHTNGSCMEIA-UKRRQHHQSA-N 2 1 234.387 3.245 20 0 BGADMP C[C@@H](C[NH3+])[NH2+]C1CCC(C2CCCCC2)CC1 ZINC000817969684 584993176 /nfs/dbraw/zinc/99/31/76/584993176.db2.gz HATIETPWSOOARM-GRTSSRMGSA-N 2 1 238.419 3.062 20 0 BGADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc2ccccc21 ZINC000817970201 586857522 /nfs/dbraw/zinc/85/75/22/586857522.db2.gz OEFPBHMWYOLTHM-BLLLJJGKSA-N 2 1 242.366 3.228 20 0 BGADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1cccc2ccccc21 ZINC000817970202 586858320 /nfs/dbraw/zinc/85/83/20/586858320.db2.gz OEFPBHMWYOLTHM-LRDDRELGSA-N 2 1 242.366 3.228 20 0 BGADMP CCCCC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1 ZINC000817970473 586857279 /nfs/dbraw/zinc/85/72/79/586857279.db2.gz WWGJHTNGSCMEIA-DZGCQCFKSA-N 2 1 234.387 3.245 20 0 BGADMP CCCCC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1 ZINC000817970474 586857754 /nfs/dbraw/zinc/85/77/54/586857754.db2.gz WWGJHTNGSCMEIA-ZFWWWQNUSA-N 2 1 234.387 3.245 20 0 BGADMP CCCCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1 ZINC000817971923 586859055 /nfs/dbraw/zinc/85/90/55/586859055.db2.gz RLJLTJPMHOAYIZ-DZGCQCFKSA-N 2 1 234.387 3.245 20 0 BGADMP CCCCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1 ZINC000817971924 586859420 /nfs/dbraw/zinc/85/94/20/586859420.db2.gz RLJLTJPMHOAYIZ-HIFRSBDPSA-N 2 1 234.387 3.245 20 0 BGADMP CCCCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1 ZINC000817971925 586858648 /nfs/dbraw/zinc/85/86/48/586858648.db2.gz RLJLTJPMHOAYIZ-UKRRQHHQSA-N 2 1 234.387 3.245 20 0 BGADMP CCCCC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1 ZINC000817971926 586858710 /nfs/dbraw/zinc/85/87/10/586858710.db2.gz RLJLTJPMHOAYIZ-ZFWWWQNUSA-N 2 1 234.387 3.245 20 0 BGADMP CCCCCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818340160 586887113 /nfs/dbraw/zinc/88/71/13/586887113.db2.gz IXGXASNMNBYELV-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818340162 586887583 /nfs/dbraw/zinc/88/75/83/586887583.db2.gz IXGXASNMNBYELV-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCCCC1)C2 ZINC000820805703 587073384 /nfs/dbraw/zinc/07/33/84/587073384.db2.gz PXVRHBDWWIKNNJ-VHRNVKJDSA-N 2 1 248.414 3.067 20 0 BGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCCCCCC1 ZINC000831937208 587637531 /nfs/dbraw/zinc/63/75/31/587637531.db2.gz NQSPJFFLQPEMAS-HNNXBMFYSA-N 2 1 238.419 3.127 20 0 BGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCCCCC1 ZINC000831937210 587637210 /nfs/dbraw/zinc/63/72/10/587637210.db2.gz NQSPJFFLQPEMAS-OAHLLOKOSA-N 2 1 238.419 3.127 20 0 BGADMP Cc1[nH+]ccn1CCC[NH+]1CCCCCCCC1 ZINC000831937459 587637442 /nfs/dbraw/zinc/63/74/42/587637442.db2.gz RFCWLIKCAUDIKT-UHFFFAOYSA-N 2 1 249.402 3.238 20 0 BGADMP CCCCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839181433 585096660 /nfs/dbraw/zinc/09/66/60/585096660.db2.gz IEPMVIXCNKSLJK-CABCVRRESA-N 2 1 240.435 3.277 20 0 BGADMP CCCCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839181434 585096789 /nfs/dbraw/zinc/09/67/89/585096789.db2.gz IEPMVIXCNKSLJK-GJZGRUSLSA-N 2 1 240.435 3.277 20 0 BGADMP CCCCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839181436 585096776 /nfs/dbraw/zinc/09/67/76/585096776.db2.gz IEPMVIXCNKSLJK-HUUCEWRRSA-N 2 1 240.435 3.277 20 0 BGADMP CCCCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839181437 585096605 /nfs/dbraw/zinc/09/66/05/585096605.db2.gz IEPMVIXCNKSLJK-LSDHHAIUSA-N 2 1 240.435 3.277 20 0 BGADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCCCCCC1 ZINC000841029456 587935856 /nfs/dbraw/zinc/93/58/56/587935856.db2.gz BJRXEHDQGDPTLN-AWEZNQCLSA-N 2 1 226.408 3.206 20 0 BGADMP CCCC[C@H](C[NH3+])[NH2+]C1CCCCCCC1 ZINC000841029457 587936279 /nfs/dbraw/zinc/93/62/79/587936279.db2.gz BJRXEHDQGDPTLN-CQSZACIVSA-N 2 1 226.408 3.206 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@@H](C[NH3+])CCCC ZINC000841030648 587936658 /nfs/dbraw/zinc/93/66/58/587936658.db2.gz POFSNIQWQQYRFB-CHWSQXEVSA-N 2 1 214.397 3.062 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@H](C[NH3+])CCCC ZINC000841030668 587936698 /nfs/dbraw/zinc/93/66/98/587936698.db2.gz POFSNIQWQQYRFB-OLZOCXBDSA-N 2 1 214.397 3.062 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H](C[NH3+])CCCC ZINC000841030671 587936317 /nfs/dbraw/zinc/93/63/17/587936317.db2.gz POFSNIQWQQYRFB-QWHCGFSZSA-N 2 1 214.397 3.062 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H](C[NH3+])CCCC ZINC000841030673 587936457 /nfs/dbraw/zinc/93/64/57/587936457.db2.gz POFSNIQWQQYRFB-STQMWFEESA-N 2 1 214.397 3.062 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000841038766 587937848 /nfs/dbraw/zinc/93/78/48/587937848.db2.gz PUQFHYOUYAWFIE-KBPBESRZSA-N 2 1 228.424 3.308 20 0 BGADMP CCCCCC[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000841038767 587938144 /nfs/dbraw/zinc/93/81/44/587938144.db2.gz PUQFHYOUYAWFIE-KGLIPLIRSA-N 2 1 228.424 3.308 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000841038768 587937938 /nfs/dbraw/zinc/93/79/38/587937938.db2.gz PUQFHYOUYAWFIE-UONOGXRCSA-N 2 1 228.424 3.308 20 0 BGADMP CCCCCC[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000841038769 587937480 /nfs/dbraw/zinc/93/74/80/587937480.db2.gz PUQFHYOUYAWFIE-ZIAGYGMSSA-N 2 1 228.424 3.308 20 0 BGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCCCCCC1 ZINC000841038790 587938399 /nfs/dbraw/zinc/93/83/99/587938399.db2.gz QIOZGRFHQOXSJC-AWEZNQCLSA-N 2 1 226.408 3.062 20 0 BGADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCCCCCC1 ZINC000841038791 587938529 /nfs/dbraw/zinc/93/85/29/587938529.db2.gz QIOZGRFHQOXSJC-CQSZACIVSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000841039180 587935071 /nfs/dbraw/zinc/93/50/71/587935071.db2.gz DWCVBDDSZOZEFP-DZGCQCFKSA-N 2 1 240.435 3.452 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000841039181 587934861 /nfs/dbraw/zinc/93/48/61/587934861.db2.gz DWCVBDDSZOZEFP-HIFRSBDPSA-N 2 1 240.435 3.452 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000841039182 587934843 /nfs/dbraw/zinc/93/48/43/587934843.db2.gz DWCVBDDSZOZEFP-UKRRQHHQSA-N 2 1 240.435 3.452 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000841039183 587934666 /nfs/dbraw/zinc/93/46/66/587934666.db2.gz DWCVBDDSZOZEFP-ZFWWWQNUSA-N 2 1 240.435 3.452 20 0 BGADMP CCCCCC[C@H]1CCC[C@H]1[NH2+][C@H](C)C[NH3+] ZINC000841059791 587941591 /nfs/dbraw/zinc/94/15/91/587941591.db2.gz COYDNWIMBFGJGJ-HZSPNIEDSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH3+] ZINC000841059793 587941052 /nfs/dbraw/zinc/94/10/52/587941052.db2.gz COYDNWIMBFGJGJ-MCIONIFRSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[NH3+] ZINC000841059794 587941616 /nfs/dbraw/zinc/94/16/16/587941616.db2.gz COYDNWIMBFGJGJ-MGPQQGTHSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCCC[C@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH3+] ZINC000841059795 587941971 /nfs/dbraw/zinc/94/19/71/587941971.db2.gz COYDNWIMBFGJGJ-RDBSUJKOSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH3+] ZINC000841065478 587942375 /nfs/dbraw/zinc/94/23/75/587942375.db2.gz COYDNWIMBFGJGJ-BFHYXJOUSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCCC[C@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH3+] ZINC000841065481 587942919 /nfs/dbraw/zinc/94/29/19/587942919.db2.gz COYDNWIMBFGJGJ-IHRRRGAJSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCCC[C@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH3+] ZINC000841065484 587942706 /nfs/dbraw/zinc/94/27/06/587942706.db2.gz COYDNWIMBFGJGJ-MELADBBJSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH3+] ZINC000841065486 587942550 /nfs/dbraw/zinc/94/25/50/587942550.db2.gz COYDNWIMBFGJGJ-MJBXVCDLSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000841085816 584883665 /nfs/dbraw/zinc/88/36/65/584883665.db2.gz BUNHVKDHSVCWDO-DZGCQCFKSA-N 2 1 240.435 3.452 20 0 BGADMP CCCCCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000841085817 584883694 /nfs/dbraw/zinc/88/36/94/584883694.db2.gz BUNHVKDHSVCWDO-HIFRSBDPSA-N 2 1 240.435 3.452 20 0 BGADMP CCCCCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000841085818 584883642 /nfs/dbraw/zinc/88/36/42/584883642.db2.gz BUNHVKDHSVCWDO-UKRRQHHQSA-N 2 1 240.435 3.452 20 0 BGADMP CCCCCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000841085819 584883704 /nfs/dbraw/zinc/88/37/04/584883704.db2.gz BUNHVKDHSVCWDO-ZFWWWQNUSA-N 2 1 240.435 3.452 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000841086786 587945877 /nfs/dbraw/zinc/94/58/77/587945877.db2.gz LJVQNNRLPNDLTJ-GXTWGEPZSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000841086787 587945685 /nfs/dbraw/zinc/94/56/85/587945685.db2.gz LJVQNNRLPNDLTJ-JSGCOSHPSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000841086788 587946075 /nfs/dbraw/zinc/94/60/75/587946075.db2.gz LJVQNNRLPNDLTJ-OCCSQVGLSA-N 2 1 226.408 3.062 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000841086789 587945539 /nfs/dbraw/zinc/94/55/39/587945539.db2.gz LJVQNNRLPNDLTJ-TZMCWYRMSA-N 2 1 226.408 3.062 20 0 BGADMP [NH3+]C[C@H]([NH2+]C1CCCCCCC1)C1CCCC1 ZINC000841086838 587946095 /nfs/dbraw/zinc/94/60/95/587946095.db2.gz NBIGMIXIXHKAEA-HNNXBMFYSA-N 2 1 238.419 3.206 20 0 BGADMP [NH3+]C[C@@H]([NH2+]C1CCCCCCC1)C1CCCC1 ZINC000841086839 587945710 /nfs/dbraw/zinc/94/57/10/587945710.db2.gz NBIGMIXIXHKAEA-OAHLLOKOSA-N 2 1 238.419 3.206 20 0 BGADMP [NH3+]CCCCCCC[N@@H+](C1CC1)C1CCCC1 ZINC000842471460 588028752 /nfs/dbraw/zinc/02/87/52/588028752.db2.gz CFUWHYPXODKBOF-UHFFFAOYSA-N 2 1 238.419 3.303 20 0 BGADMP C[C@H](C1CC1)[N@@H+](CCCCCCC[NH3+])C1CC1 ZINC000842471738 588028896 /nfs/dbraw/zinc/02/88/96/588028896.db2.gz WEAWTOHECNEASW-CYBMUJFWSA-N 2 1 238.419 3.159 20 0 BGADMP C[C@@H](C1CC1)[N@@H+](CCCCCCC[NH3+])C1CC1 ZINC000842471739 588029020 /nfs/dbraw/zinc/02/90/20/588029020.db2.gz WEAWTOHECNEASW-ZDUSSCGKSA-N 2 1 238.419 3.159 20 0 BGADMP C[N@@H+](CCCCCCC[NH3+])C(C1CC1)C1CC1 ZINC000842471935 588028949 /nfs/dbraw/zinc/02/89/49/588028949.db2.gz IBRIAWMMHBMRCY-UHFFFAOYSA-N 2 1 238.419 3.016 20 0 BGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCCCCCC1 ZINC000842472039 588029217 /nfs/dbraw/zinc/02/92/17/588029217.db2.gz NWRSWBBFURFCJF-AWEZNQCLSA-N 2 1 238.419 3.031 20 0 BGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCCCCCC1 ZINC000842472040 588029249 /nfs/dbraw/zinc/02/92/49/588029249.db2.gz NWRSWBBFURFCJF-CQSZACIVSA-N 2 1 238.419 3.031 20 0 BGADMP CC(C)(C)[C@@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842472185 588029276 /nfs/dbraw/zinc/02/92/76/588029276.db2.gz UZKNSCARQIVVQK-AWEZNQCLSA-N 2 1 240.435 3.406 20 0 BGADMP CC(C)(C)[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842472186 588029105 /nfs/dbraw/zinc/02/91/05/588029105.db2.gz UZKNSCARQIVVQK-CQSZACIVSA-N 2 1 240.435 3.406 20 0 BGADMP CC(C)[N@@H+](CCCCCCC[NH3+])C1CCC1 ZINC000842472670 588028899 /nfs/dbraw/zinc/02/88/99/588028899.db2.gz HQYIZXHIDBPKMM-UHFFFAOYSA-N 2 1 226.408 3.159 20 0 BGADMP CCCCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474323 588029066 /nfs/dbraw/zinc/02/90/66/588029066.db2.gz NPVZXRXIGKCRET-CABCVRRESA-N 2 1 238.419 3.031 20 0 BGADMP CCCCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474324 588028928 /nfs/dbraw/zinc/02/89/28/588028928.db2.gz NPVZXRXIGKCRET-GJZGRUSLSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474325 588028956 /nfs/dbraw/zinc/02/89/56/588028956.db2.gz NPVZXRXIGKCRET-HUUCEWRRSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474326 588029393 /nfs/dbraw/zinc/02/93/93/588029393.db2.gz NPVZXRXIGKCRET-LSDHHAIUSA-N 2 1 238.419 3.031 20 0 BGADMP CCCCCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000842476546 588028402 /nfs/dbraw/zinc/02/84/02/588028402.db2.gz QYYIYYKFNNAYKN-AWEZNQCLSA-N 2 1 226.408 3.064 20 0 BGADMP CCCCCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000842476547 588028332 /nfs/dbraw/zinc/02/83/32/588028332.db2.gz QYYIYYKFNNAYKN-CQSZACIVSA-N 2 1 226.408 3.064 20 0 BGADMP CC(C)[N@@H+](CCCCCCC[NH3+])CC1CCC1 ZINC000842478875 588029613 /nfs/dbraw/zinc/02/96/13/588029613.db2.gz PUVXLCFPRHFKSI-UHFFFAOYSA-N 2 1 240.435 3.406 20 0 BGADMP C[N@@H+](CCCC1CCCC1)C1CCC([NH3+])CC1 ZINC000843355077 588103024 /nfs/dbraw/zinc/10/30/24/588103024.db2.gz LJSQFSPGCQEODX-UHFFFAOYSA-N 2 1 238.419 3.159 20 0 BGADMP CC[N@@H+](CCCCCC[NH3+])CCc1ccccc1 ZINC000846217823 582652250 /nfs/dbraw/zinc/65/22/50/582652250.db2.gz DBXJTSGCONSLMY-UHFFFAOYSA-N 2 1 248.414 3.070 20 0 BGADMP CC(C)(C)[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846217891 588260766 /nfs/dbraw/zinc/26/07/66/588260766.db2.gz IEOZNCZWGQEARP-CYBMUJFWSA-N 2 1 226.408 3.016 20 0 BGADMP CC(C)(C)[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846217892 588260891 /nfs/dbraw/zinc/26/08/91/588260891.db2.gz IEOZNCZWGQEARP-ZDUSSCGKSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCCCC[NH3+] ZINC000846217900 588260794 /nfs/dbraw/zinc/26/07/94/588260794.db2.gz IHBQLYDNUPXQDX-ILXRZTDVSA-N 2 1 238.419 3.159 20 0 BGADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCCCC[NH3+] ZINC000846217901 588260667 /nfs/dbraw/zinc/26/06/67/588260667.db2.gz IHBQLYDNUPXQDX-KFWWJZLASA-N 2 1 238.419 3.159 20 0 BGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCCCC[NH3+] ZINC000846217902 588260802 /nfs/dbraw/zinc/26/08/02/588260802.db2.gz IHBQLYDNUPXQDX-QLFBSQMISA-N 2 1 238.419 3.159 20 0 BGADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCCCC[NH3+] ZINC000846217903 588260647 /nfs/dbraw/zinc/26/06/47/588260647.db2.gz IHBQLYDNUPXQDX-RBSFLKMASA-N 2 1 238.419 3.159 20 0 BGADMP C[C@H]1c2ccccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846217928 588260688 /nfs/dbraw/zinc/26/06/88/588260688.db2.gz JAYAGCFZPPKJOT-AWEZNQCLSA-N 2 1 246.398 3.125 20 0 BGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846217929 588260702 /nfs/dbraw/zinc/26/07/02/588260702.db2.gz JAYAGCFZPPKJOT-CQSZACIVSA-N 2 1 246.398 3.125 20 0 BGADMP CC(C)[N@@H+](CCCCCC[NH3+])C1CCCC1 ZINC000846218071 588260900 /nfs/dbraw/zinc/26/09/00/588260900.db2.gz IFCDJEGEUWSYCC-UHFFFAOYSA-N 2 1 226.408 3.159 20 0 BGADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])Cc2ccccc21 ZINC000846218573 588260733 /nfs/dbraw/zinc/26/07/33/588260733.db2.gz YVQFUPRIVFRNML-AWEZNQCLSA-N 2 1 246.398 3.125 20 0 BGADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])Cc2ccccc21 ZINC000846218574 588260922 /nfs/dbraw/zinc/26/09/22/588260922.db2.gz YVQFUPRIVFRNML-CQSZACIVSA-N 2 1 246.398 3.125 20 0 BGADMP CC(C)(C)C[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846218632 588260949 /nfs/dbraw/zinc/26/09/49/588260949.db2.gz QIQWIEKMAMXKBL-AWEZNQCLSA-N 2 1 240.435 3.406 20 0 BGADMP CC(C)(C)C[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846218639 588260957 /nfs/dbraw/zinc/26/09/57/588260957.db2.gz QIQWIEKMAMXKBL-CQSZACIVSA-N 2 1 240.435 3.406 20 0 BGADMP CC[C@H](C)[C@H](C)[N@@H+](CCCCCC[NH3+])C1CC1 ZINC000846218664 588260966 /nfs/dbraw/zinc/26/09/66/588260966.db2.gz VJIPVZPLHZCFBC-KBPBESRZSA-N 2 1 240.435 3.405 20 0 BGADMP CC[C@@H](C)[C@H](C)[N@@H+](CCCCCC[NH3+])C1CC1 ZINC000846218666 588260749 /nfs/dbraw/zinc/26/07/49/588260749.db2.gz VJIPVZPLHZCFBC-KGLIPLIRSA-N 2 1 240.435 3.405 20 0 BGADMP CC[C@H](C)[C@@H](C)[N@@H+](CCCCCC[NH3+])C1CC1 ZINC000846218667 588260786 /nfs/dbraw/zinc/26/07/86/588260786.db2.gz VJIPVZPLHZCFBC-UONOGXRCSA-N 2 1 240.435 3.405 20 0 BGADMP CC[C@@H](C)[C@@H](C)[N@@H+](CCCCCC[NH3+])C1CC1 ZINC000846218668 588260851 /nfs/dbraw/zinc/26/08/51/588260851.db2.gz VJIPVZPLHZCFBC-ZIAGYGMSSA-N 2 1 240.435 3.405 20 0 BGADMP CCC(CC)[N@@H+](CCCCCC[NH3+])C1CC1 ZINC000846218736 588260761 /nfs/dbraw/zinc/26/07/61/588260761.db2.gz SJKFAUKCOVEPIH-UHFFFAOYSA-N 2 1 226.408 3.159 20 0 BGADMP [NH3+]CCCCCC[N@@H+](C1CC1)C1CCCCC1 ZINC000846218787 588260747 /nfs/dbraw/zinc/26/07/47/588260747.db2.gz VWPQPGADTMWUSY-UHFFFAOYSA-N 2 1 238.419 3.303 20 0 BGADMP C[C@H]1CCC[C@H](C)[N@@H+](CCCCCC[NH3+])C1 ZINC000846219055 588260853 /nfs/dbraw/zinc/26/08/53/588260853.db2.gz DZTUYQBPUIYEHV-KBPBESRZSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1CCC[C@H](C)[N@@H+](CCCCCC[NH3+])C1 ZINC000846219056 588260946 /nfs/dbraw/zinc/26/09/46/588260946.db2.gz DZTUYQBPUIYEHV-KGLIPLIRSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1CCCCCC[NH3+] ZINC000846219057 588260674 /nfs/dbraw/zinc/26/06/74/588260674.db2.gz DZTUYQBPUIYEHV-UONOGXRCSA-N 2 1 226.408 3.016 20 0 BGADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CCCCCC[NH3+])C1 ZINC000846219058 588260697 /nfs/dbraw/zinc/26/06/97/588260697.db2.gz DZTUYQBPUIYEHV-ZIAGYGMSSA-N 2 1 226.408 3.016 20 0 BGADMP CC(C)C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219236 588260639 /nfs/dbraw/zinc/26/06/39/588260639.db2.gz MANZHPYMAIGFHB-HNNXBMFYSA-N 2 1 240.435 3.264 20 0 BGADMP CC(C)C[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219237 588260935 /nfs/dbraw/zinc/26/09/35/588260935.db2.gz MANZHPYMAIGFHB-OAHLLOKOSA-N 2 1 240.435 3.264 20 0 BGADMP CC(C)C[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846219289 588260910 /nfs/dbraw/zinc/26/09/10/588260910.db2.gz NEGYFIFODMCZGV-HNNXBMFYSA-N 2 1 240.435 3.406 20 0 BGADMP CC(C)C[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846219290 588260954 /nfs/dbraw/zinc/26/09/54/588260954.db2.gz NEGYFIFODMCZGV-OAHLLOKOSA-N 2 1 240.435 3.406 20 0 BGADMP CC[C@@]1(C)CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219481 588260704 /nfs/dbraw/zinc/26/07/04/588260704.db2.gz RKSKJKAMQBXFOQ-AWEZNQCLSA-N 2 1 226.408 3.018 20 0 BGADMP CC[C@]1(C)CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219483 588260633 /nfs/dbraw/zinc/26/06/33/588260633.db2.gz RKSKJKAMQBXFOQ-CQSZACIVSA-N 2 1 226.408 3.018 20 0 BGADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846219716 588259753 /nfs/dbraw/zinc/25/97/53/588259753.db2.gz WNAHBFHURCCJLX-CABCVRRESA-N 2 1 240.435 3.406 20 0 BGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846219717 588259784 /nfs/dbraw/zinc/25/97/84/588259784.db2.gz WNAHBFHURCCJLX-GJZGRUSLSA-N 2 1 240.435 3.406 20 0 BGADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846219718 588259900 /nfs/dbraw/zinc/25/99/00/588259900.db2.gz WNAHBFHURCCJLX-HUUCEWRRSA-N 2 1 240.435 3.406 20 0 BGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846219720 588259834 /nfs/dbraw/zinc/25/98/34/588259834.db2.gz WNAHBFHURCCJLX-LSDHHAIUSA-N 2 1 240.435 3.406 20 0 BGADMP [NH3+]CCCCCC[N@H+]1CCCC2(CCCC2)C1 ZINC000846221042 588261503 /nfs/dbraw/zinc/26/15/03/588261503.db2.gz RDVDQXLQKIKFFP-UHFFFAOYSA-N 2 1 238.419 3.162 20 0 BGADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846222798 588261623 /nfs/dbraw/zinc/26/16/23/588261623.db2.gz QBIIIFHWCMZODI-CABCVRRESA-N 2 1 240.435 3.406 20 0 BGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846222799 588261732 /nfs/dbraw/zinc/26/17/32/588261732.db2.gz QBIIIFHWCMZODI-GJZGRUSLSA-N 2 1 240.435 3.406 20 0 BGADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846222800 588261667 /nfs/dbraw/zinc/26/16/67/588261667.db2.gz QBIIIFHWCMZODI-HUUCEWRRSA-N 2 1 240.435 3.406 20 0 BGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846222801 588261749 /nfs/dbraw/zinc/26/17/49/588261749.db2.gz QBIIIFHWCMZODI-LSDHHAIUSA-N 2 1 240.435 3.406 20 0 BGADMP CC(C)CC[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846222821 588261697 /nfs/dbraw/zinc/26/16/97/588261697.db2.gz QJNDQPPPNOPDLI-HNNXBMFYSA-N 2 1 240.435 3.406 20 0 BGADMP CC(C)CC[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846222822 588261790 /nfs/dbraw/zinc/26/17/90/588261790.db2.gz QJNDQPPPNOPDLI-OAHLLOKOSA-N 2 1 240.435 3.406 20 0 BGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000846223465 588261779 /nfs/dbraw/zinc/26/17/79/588261779.db2.gz KZRZOKRSLHMSRA-HNNXBMFYSA-N 2 1 238.419 3.160 20 0 BGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000846223466 588261755 /nfs/dbraw/zinc/26/17/55/588261755.db2.gz KZRZOKRSLHMSRA-OAHLLOKOSA-N 2 1 238.419 3.160 20 0 BGADMP CC(C)[N@@H+](CCCCCC[NH3+])CC1CCC1 ZINC000846224423 588261820 /nfs/dbraw/zinc/26/18/20/588261820.db2.gz WPFKWLIWRVCFQX-UHFFFAOYSA-N 2 1 226.408 3.016 20 0 BGADMP Cn1c[nH+]cc1CCC[NH+]1CCCCCCCC1 ZINC000846977759 588299743 /nfs/dbraw/zinc/29/97/43/588299743.db2.gz ZJKPZBIWFJITKO-UHFFFAOYSA-N 2 1 249.402 3.009 20 0 BGADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CCCCCC[NH3+] ZINC000852761147 588700466 /nfs/dbraw/zinc/70/04/66/588700466.db2.gz RMYMGKQZNWQVCT-UONOGXRCSA-N 2 1 226.408 3.159 20 0 BGADMP CCCCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858086183 588931039 /nfs/dbraw/zinc/93/10/39/588931039.db2.gz CUYMEURWNDNCQG-CYBMUJFWSA-N 2 1 226.408 3.029 20 0 BGADMP CCCCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858086184 588930917 /nfs/dbraw/zinc/93/09/17/588930917.db2.gz CUYMEURWNDNCQG-ZDUSSCGKSA-N 2 1 226.408 3.029 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858086727 588931569 /nfs/dbraw/zinc/93/15/69/588931569.db2.gz NFSJDXIGNHIZCX-KBPBESRZSA-N 2 1 240.435 3.418 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858086728 588931445 /nfs/dbraw/zinc/93/14/45/588931445.db2.gz NFSJDXIGNHIZCX-KGLIPLIRSA-N 2 1 240.435 3.418 20 0 BGADMP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858086729 588931384 /nfs/dbraw/zinc/93/13/84/588931384.db2.gz NFSJDXIGNHIZCX-UONOGXRCSA-N 2 1 240.435 3.418 20 0 BGADMP CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858086730 588931436 /nfs/dbraw/zinc/93/14/36/588931436.db2.gz NFSJDXIGNHIZCX-ZIAGYGMSSA-N 2 1 240.435 3.418 20 0 BGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000858137920 588935228 /nfs/dbraw/zinc/93/52/28/588935228.db2.gz IBQHPPPVDPUNFE-CHWSQXEVSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000858137921 588935113 /nfs/dbraw/zinc/93/51/13/588935113.db2.gz IBQHPPPVDPUNFE-OLZOCXBDSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000858137922 588934498 /nfs/dbraw/zinc/93/44/98/588934498.db2.gz IBQHPPPVDPUNFE-QWHCGFSZSA-N 2 1 240.435 3.131 20 0 BGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000858137923 588934195 /nfs/dbraw/zinc/93/41/95/588934195.db2.gz IBQHPPPVDPUNFE-STQMWFEESA-N 2 1 240.435 3.131 20 0 BGADMP CCC[C@H](C)CCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000863540556 589296696 /nfs/dbraw/zinc/29/66/96/589296696.db2.gz CCTLQZDGRFFBOC-NFOMZHRRSA-N 2 1 240.435 3.405 20 0 BGADMP CCC[C@@H](C)CCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000863540557 589296704 /nfs/dbraw/zinc/29/67/04/589296704.db2.gz CCTLQZDGRFFBOC-WLYUNCDWSA-N 2 1 240.435 3.405 20 0 BGADMP CCC[C@@H](C)CCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000863544850 589297655 /nfs/dbraw/zinc/29/76/55/589297655.db2.gz CXEMWPGTVUMSGP-CABCVRRESA-N 2 1 238.419 3.031 20 0 BGADMP CCC[C@@H](C)CCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000863544850 589297654 /nfs/dbraw/zinc/29/76/54/589297654.db2.gz CXEMWPGTVUMSGP-CABCVRRESA-N 2 1 238.419 3.031 20 0 BGADMP CCC[C@H](C)CCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000863544851 589297702 /nfs/dbraw/zinc/29/77/02/589297702.db2.gz CXEMWPGTVUMSGP-GJZGRUSLSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[C@H](C)CCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000863544851 589297701 /nfs/dbraw/zinc/29/77/01/589297701.db2.gz CXEMWPGTVUMSGP-GJZGRUSLSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[C@@H](C)CCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000863544852 589297741 /nfs/dbraw/zinc/29/77/41/589297741.db2.gz CXEMWPGTVUMSGP-HUUCEWRRSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[C@@H](C)CCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000863544852 589297739 /nfs/dbraw/zinc/29/77/39/589297739.db2.gz CXEMWPGTVUMSGP-HUUCEWRRSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[C@H](C)CCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000863544853 589297893 /nfs/dbraw/zinc/29/78/93/589297893.db2.gz CXEMWPGTVUMSGP-LSDHHAIUSA-N 2 1 238.419 3.031 20 0 BGADMP CCC[C@H](C)CCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000863544853 589297891 /nfs/dbraw/zinc/29/78/91/589297891.db2.gz CXEMWPGTVUMSGP-LSDHHAIUSA-N 2 1 238.419 3.031 20 0 BGADMP C/C=C/C[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000863575173 589301223 /nfs/dbraw/zinc/30/12/23/589301223.db2.gz FXYWRNYQHAJOPS-FAAWYNLUSA-N 2 1 238.419 3.184 20 0 BGADMP C/C=C\C[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000863575175 589301058 /nfs/dbraw/zinc/30/10/58/589301058.db2.gz FXYWRNYQHAJOPS-GWQWAINWSA-N 2 1 238.419 3.184 20 0 BGADMP C/C=C\C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000863575177 589301443 /nfs/dbraw/zinc/30/14/43/589301443.db2.gz FXYWRNYQHAJOPS-MPNWYJEXSA-N 2 1 238.419 3.184 20 0 BGADMP C/C=C/C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000863575178 589301420 /nfs/dbraw/zinc/30/14/20/589301420.db2.gz FXYWRNYQHAJOPS-XYBNCVKDSA-N 2 1 238.419 3.184 20 0 BGADMP C[N@H+]1CC[C@H]([NH2+]CCCCC2CC2)CC1(C)C ZINC000865786226 589461994 /nfs/dbraw/zinc/46/19/94/589461994.db2.gz GJSFIDKUQBIZPZ-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP C[N@H+]1CC[C@@H]([NH2+]CCCCC2CC2)CC1(C)C ZINC000865786227 589461868 /nfs/dbraw/zinc/46/18/68/589461868.db2.gz GJSFIDKUQBIZPZ-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)=CCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708549 589514352 /nfs/dbraw/zinc/51/43/52/589514352.db2.gz RNHOMBOQZMDFNA-HNNXBMFYSA-N 2 1 238.419 3.040 20 0 BGADMP CC(C)=CCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708551 589514860 /nfs/dbraw/zinc/51/48/60/589514860.db2.gz RNHOMBOQZMDFNA-OAHLLOKOSA-N 2 1 238.419 3.040 20 0 BGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)C(C)(C)CC ZINC000872017647 589856778 /nfs/dbraw/zinc/85/67/78/589856778.db2.gz DETROLBTSNHNCO-AWEZNQCLSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(C)(C)CC ZINC000872017652 589856835 /nfs/dbraw/zinc/85/68/35/589856835.db2.gz DETROLBTSNHNCO-CQSZACIVSA-N 2 1 240.435 3.275 20 0 BGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C(C)(C)CC ZINC000872025985 589856547 /nfs/dbraw/zinc/85/65/47/589856547.db2.gz XKGRUYSITWRXDI-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C(C)(C)CC ZINC000872025986 589856719 /nfs/dbraw/zinc/85/67/19/589856719.db2.gz XKGRUYSITWRXDI-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C(C)(C)CC ZINC000872025987 589856853 /nfs/dbraw/zinc/85/68/53/589856853.db2.gz XKGRUYSITWRXDI-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C(C)(C)CC ZINC000872025988 589856959 /nfs/dbraw/zinc/85/69/59/589856959.db2.gz XKGRUYSITWRXDI-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)CC ZINC000872033623 589858629 /nfs/dbraw/zinc/85/86/29/589858629.db2.gz CRGDDQXVIKLUHG-KBPBESRZSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)CC ZINC000872033624 589858409 /nfs/dbraw/zinc/85/84/09/589858409.db2.gz CRGDDQXVIKLUHG-KGLIPLIRSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)CC ZINC000872033625 589858613 /nfs/dbraw/zinc/85/86/13/589858613.db2.gz CRGDDQXVIKLUHG-UONOGXRCSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)CC ZINC000872033626 589858676 /nfs/dbraw/zinc/85/86/76/589858676.db2.gz CRGDDQXVIKLUHG-ZIAGYGMSSA-N 2 1 240.435 3.133 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)CC ZINC000872038135 589858903 /nfs/dbraw/zinc/85/89/03/589858903.db2.gz JBFYTTZIPYMNJR-IHRRRGAJSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)CC ZINC000872038135 589858900 /nfs/dbraw/zinc/85/89/00/589858900.db2.gz JBFYTTZIPYMNJR-IHRRRGAJSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)CC ZINC000872038136 589859446 /nfs/dbraw/zinc/85/94/46/589859446.db2.gz JBFYTTZIPYMNJR-MCIONIFRSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)CC ZINC000872038136 589859444 /nfs/dbraw/zinc/85/94/44/589859444.db2.gz JBFYTTZIPYMNJR-MCIONIFRSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)CC ZINC000872038137 589858875 /nfs/dbraw/zinc/85/88/75/589858875.db2.gz JBFYTTZIPYMNJR-MJBXVCDLSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)CC ZINC000872038137 589858874 /nfs/dbraw/zinc/85/88/74/589858874.db2.gz JBFYTTZIPYMNJR-MJBXVCDLSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)CC ZINC000872038138 589859091 /nfs/dbraw/zinc/85/90/91/589859091.db2.gz JBFYTTZIPYMNJR-RDBSUJKOSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)CC ZINC000872038138 589859088 /nfs/dbraw/zinc/85/90/88/589859088.db2.gz JBFYTTZIPYMNJR-RDBSUJKOSA-N 2 1 240.435 3.274 20 0 BGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)CC ZINC000872054504 589861846 /nfs/dbraw/zinc/86/18/46/589861846.db2.gz XKLZEBMDEQOXLK-AWEZNQCLSA-N 2 1 238.419 3.053 20 0 BGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)CC ZINC000872054505 589862349 /nfs/dbraw/zinc/86/23/49/589862349.db2.gz XKLZEBMDEQOXLK-CQSZACIVSA-N 2 1 238.419 3.053 20 0 BGADMP CC(C)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157927 589885970 /nfs/dbraw/zinc/88/59/70/589885970.db2.gz VRVNUHLKRFJHRH-DZGCQCFKSA-N 2 1 238.419 3.014 20 0 BGADMP CC(C)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157928 589885911 /nfs/dbraw/zinc/88/59/11/589885911.db2.gz VRVNUHLKRFJHRH-HIFRSBDPSA-N 2 1 238.419 3.014 20 0 BGADMP CC(C)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157929 589886115 /nfs/dbraw/zinc/88/61/15/589886115.db2.gz VRVNUHLKRFJHRH-UKRRQHHQSA-N 2 1 238.419 3.014 20 0 BGADMP CC(C)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157930 589885989 /nfs/dbraw/zinc/88/59/89/589885989.db2.gz VRVNUHLKRFJHRH-ZFWWWQNUSA-N 2 1 238.419 3.014 20 0 BGADMP Cc1[nH+]ccn1CCCC[NH2+]CC1(C)CCCC1 ZINC000877057731 590275806 /nfs/dbraw/zinc/27/58/06/590275806.db2.gz MMKUWHQOWORDSV-UHFFFAOYSA-N 2 1 249.402 3.142 20 0 BGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(C)CCCC1 ZINC000877527349 590349446 /nfs/dbraw/zinc/34/94/46/590349446.db2.gz KNCAIUVEQBFXIG-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(C)CCCC1 ZINC000877527349 590349443 /nfs/dbraw/zinc/34/94/43/590349443.db2.gz KNCAIUVEQBFXIG-UHFFFAOYSA-N 2 1 249.402 3.094 20 0 BGADMP C[N@@H+](CCCC[NH2+]CC1(C)CCCC1)C1CC1 ZINC000877577138 590363629 /nfs/dbraw/zinc/36/36/29/590363629.db2.gz AFFMLFCATHMTIX-UHFFFAOYSA-N 2 1 238.419 3.031 20 0 BGADMP C=C/C=C/CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878119968 590498672 /nfs/dbraw/zinc/49/86/72/590498672.db2.gz DFXUVQVKHCTYJK-CWDCEQMOSA-N 2 1 248.414 3.069 20 0 BGADMP C=C/C=C\CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878119970 590499112 /nfs/dbraw/zinc/49/91/12/590499112.db2.gz DFXUVQVKHCTYJK-MJSXRHKHSA-N 2 1 248.414 3.069 20 0 BGADMP C=C/C=C/CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878119972 590499538 /nfs/dbraw/zinc/49/95/38/590499538.db2.gz DFXUVQVKHCTYJK-QDLOVBKTSA-N 2 1 248.414 3.069 20 0 BGADMP C=C/C=C\CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878119973 590499199 /nfs/dbraw/zinc/49/91/99/590499199.db2.gz DFXUVQVKHCTYJK-QGZUEGPWSA-N 2 1 248.414 3.069 20 0 BGADMP CCC1(CC)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000880094307 590925478 /nfs/dbraw/zinc/92/54/78/590925478.db2.gz FIFWKTMASZEXPG-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP CCC1(CC)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000880094307 590925476 /nfs/dbraw/zinc/92/54/76/590925476.db2.gz FIFWKTMASZEXPG-UHFFFAOYSA-N 2 1 249.402 3.236 20 0 BGADMP CCC1(CC)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000880095081 590924367 /nfs/dbraw/zinc/92/43/67/590924367.db2.gz VJAALDXFETVBJV-AWEZNQCLSA-N 2 1 238.419 3.125 20 0 BGADMP CCC1(CC)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000880095081 590924365 /nfs/dbraw/zinc/92/43/65/590924365.db2.gz VJAALDXFETVBJV-AWEZNQCLSA-N 2 1 238.419 3.125 20 0 BGADMP CCC1(CC)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000880095083 590924496 /nfs/dbraw/zinc/92/44/96/590924496.db2.gz VJAALDXFETVBJV-CQSZACIVSA-N 2 1 238.419 3.125 20 0 BGADMP CCC1(CC)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000880095083 590924494 /nfs/dbraw/zinc/92/44/94/590924494.db2.gz VJAALDXFETVBJV-CQSZACIVSA-N 2 1 238.419 3.125 20 0 BGADMP CCC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883250586 591591419 /nfs/dbraw/zinc/59/14/19/591591419.db2.gz FOUMSIHGMLDASR-KBPBESRZSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@@H](C)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883250587 591591470 /nfs/dbraw/zinc/59/14/70/591591470.db2.gz FOUMSIHGMLDASR-KGLIPLIRSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883250588 591590850 /nfs/dbraw/zinc/59/08/50/591590850.db2.gz FOUMSIHGMLDASR-UONOGXRCSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883250589 591591677 /nfs/dbraw/zinc/59/16/77/591591677.db2.gz FOUMSIHGMLDASR-ZIAGYGMSSA-N 2 1 240.435 3.275 20 0 BGADMP CCC[C@H](C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883251632 591592938 /nfs/dbraw/zinc/59/29/38/591592938.db2.gz WULUBJDHMSTRKM-KKUMJFAQSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H](C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883251633 591592253 /nfs/dbraw/zinc/59/22/53/591592253.db2.gz WULUBJDHMSTRKM-RRFJBIMHSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H](C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883251634 591592662 /nfs/dbraw/zinc/59/26/62/591592662.db2.gz WULUBJDHMSTRKM-SOUVJXGZSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H](C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883251635 591592266 /nfs/dbraw/zinc/59/22/66/591592266.db2.gz WULUBJDHMSTRKM-ZNMIVQPWSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000883257147 591594659 /nfs/dbraw/zinc/59/46/59/591594659.db2.gz STHMYYCNEKPPKE-KKUMJFAQSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000883257148 591595320 /nfs/dbraw/zinc/59/53/20/591595320.db2.gz STHMYYCNEKPPKE-RRFJBIMHSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000883257149 591594981 /nfs/dbraw/zinc/59/49/81/591594981.db2.gz STHMYYCNEKPPKE-SOUVJXGZSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000883257150 591595014 /nfs/dbraw/zinc/59/50/14/591595014.db2.gz STHMYYCNEKPPKE-ZNMIVQPWSA-N 2 1 240.435 3.133 20 0 BGADMP CCC[C@@H](C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883257838 591596476 /nfs/dbraw/zinc/59/64/76/591596476.db2.gz LOUVLVARZVKYNY-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H](C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883257839 591596096 /nfs/dbraw/zinc/59/60/96/591596096.db2.gz LOUVLVARZVKYNY-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CCC[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883258265 591595802 /nfs/dbraw/zinc/59/58/02/591595802.db2.gz WCOYDGXBYXOYAZ-AVOUXACISA-N 2 1 238.419 3.028 20 0 BGADMP CCC[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883258266 591595685 /nfs/dbraw/zinc/59/56/85/591595685.db2.gz WCOYDGXBYXOYAZ-FFHGMXDLSA-N 2 1 238.419 3.028 20 0 BGADMP CCc1ccc(NCc2cncn2C(C)C)[nH+]c1 ZINC000883384304 591639802 /nfs/dbraw/zinc/63/98/02/591639802.db2.gz OTPGIRKBUUQOTG-UHFFFAOYSA-N 2 1 244.342 3.034 20 0 BGADMP CCc1ccc(NCc2nccn2C(C)C)[nH+]c1 ZINC000883384461 591639405 /nfs/dbraw/zinc/63/94/05/591639405.db2.gz RZLJHUPWEAJICX-UHFFFAOYSA-N 2 1 244.342 3.034 20 0 BGADMP C[C@@H]1CCC(C)(C)[N@H+]1CCCCCCC[NH3+] ZINC000883441274 591668978 /nfs/dbraw/zinc/66/89/78/591668978.db2.gz KUBDGDMYZSCNAH-CYBMUJFWSA-N 2 1 226.408 3.159 20 0 BGADMP C[C@H]1CCC(C)(C)[N@H+]1CCCCCCC[NH3+] ZINC000883441275 591668766 /nfs/dbraw/zinc/66/87/66/591668766.db2.gz KUBDGDMYZSCNAH-ZDUSSCGKSA-N 2 1 226.408 3.159 20 0 BGADMP Cc1[nH]c(C2CC[NH+](CC3CCC3)CC2)[nH+]c1C ZINC000886659218 592292184 /nfs/dbraw/zinc/29/21/84/592292184.db2.gz GNXYTNNYQRKTNU-UHFFFAOYSA-N 2 1 247.386 3.006 20 0 BGADMP CC(C)=CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886660575 592292864 /nfs/dbraw/zinc/29/28/64/592292864.db2.gz AICLNAMORUYZHJ-UHFFFAOYSA-N 2 1 247.386 3.172 20 0 BGADMP CCC[C@@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886660595 592293285 /nfs/dbraw/zinc/29/32/85/592293285.db2.gz AYRVQGXRQZZEPE-LLVKDONJSA-N 2 1 249.402 3.395 20 0 BGADMP CCC[C@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886660596 592292898 /nfs/dbraw/zinc/29/28/98/592292898.db2.gz AYRVQGXRQZZEPE-NSHDSACASA-N 2 1 249.402 3.395 20 0 BGADMP Cc1[nH]c(C2CC[NH+](CCC3CC3)CC2)[nH+]c1C ZINC000886662294 592294431 /nfs/dbraw/zinc/29/44/31/592294431.db2.gz BAWNVMGFANZCHC-UHFFFAOYSA-N 2 1 247.386 3.006 20 0 BGADMP CC[C@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662417 592294086 /nfs/dbraw/zinc/29/40/86/592294086.db2.gz CYHPFFSQJHESDA-JTQLQIEISA-N 2 1 235.375 3.004 20 0 BGADMP CC[C@@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662418 592294916 /nfs/dbraw/zinc/29/49/16/592294916.db2.gz CYHPFFSQJHESDA-SNVBAGLBSA-N 2 1 235.375 3.004 20 0 BGADMP CC[C@@H](C)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662933 592295087 /nfs/dbraw/zinc/29/50/87/592295087.db2.gz PPQZTEOQGPSHHE-LLVKDONJSA-N 2 1 249.402 3.252 20 0 BGADMP CC[C@H](C)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662934 592294865 /nfs/dbraw/zinc/29/48/65/592294865.db2.gz PPQZTEOQGPSHHE-NSHDSACASA-N 2 1 249.402 3.252 20 0 BGADMP CCCCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886663320 592295124 /nfs/dbraw/zinc/29/51/24/592295124.db2.gz YBWCNTHHNUYMRG-UHFFFAOYSA-N 2 1 249.402 3.396 20 0 BGADMP Cc1[nH]c(C2CC[NH+](C3CCCC3)CC2)[nH+]c1C ZINC000886664812 592296907 /nfs/dbraw/zinc/29/69/07/592296907.db2.gz YCUKAELMODXCRE-UHFFFAOYSA-N 2 1 247.386 3.149 20 0 BGADMP CCCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886665928 592296537 /nfs/dbraw/zinc/29/65/37/592296537.db2.gz JRQNPROOOHAPBI-UHFFFAOYSA-N 2 1 235.375 3.006 20 0 BGADMP Cc1[nH]c(C2CC[NH+](CCC(C)C)CC2)[nH+]c1C ZINC000886665933 592296371 /nfs/dbraw/zinc/29/63/71/592296371.db2.gz JUHYMWBWRZLHSL-UHFFFAOYSA-N 2 1 249.402 3.252 20 0 BGADMP CCC1([NH+]2CCC2)CC[NH+](CC2=CCCC2)CC1 ZINC000886717694 592309925 /nfs/dbraw/zinc/30/99/25/592309925.db2.gz GOBOPXAHQPXDFY-UHFFFAOYSA-N 2 1 248.414 3.047 20 0 BGADMP [NH3+]CCCCCCC[N@@H+](CC(F)F)C1CCC1 ZINC000886881136 592381139 /nfs/dbraw/zinc/38/11/39/592381139.db2.gz RJSZUWXEAMVFOT-UHFFFAOYSA-N 2 1 248.361 3.015 20 0 BGADMP [NH3+]CCCCCCC[N@H+](CC(F)F)C1CCC1 ZINC000886881136 592381134 /nfs/dbraw/zinc/38/11/34/592381134.db2.gz RJSZUWXEAMVFOT-UHFFFAOYSA-N 2 1 248.361 3.015 20 0 BGADMP CCCC[N@@H+](CCC[NH3+])[C@H](C)c1ccc(C)o1 ZINC000886882126 592382147 /nfs/dbraw/zinc/38/21/47/592382147.db2.gz FYUUBJLUYCEEHW-CYBMUJFWSA-N 2 1 238.375 3.100 20 0 BGADMP CCCC[N@@H+](CCC[NH3+])[C@@H](C)c1ccc(C)o1 ZINC000886882127 592382001 /nfs/dbraw/zinc/38/20/01/592382001.db2.gz FYUUBJLUYCEEHW-ZDUSSCGKSA-N 2 1 238.375 3.100 20 0 BGADMP CC(C)CCCC[N@@H+](C)CCCn1ccnc1 ZINC000894475259 583469986 /nfs/dbraw/zinc/46/99/86/583469986.db2.gz AAQGBHBNTHHMBF-UHFFFAOYSA-N 2 1 237.391 3.031 20 0 BGADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc2ccccc2s1 ZINC000902405597 584573066 /nfs/dbraw/zinc/57/30/66/584573066.db2.gz JFTWVMQOPPUYPF-JTQLQIEISA-N 2 1 246.379 3.043 20 0 BGADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc2ccccc2s1 ZINC000902405599 584573279 /nfs/dbraw/zinc/57/32/79/584573279.db2.gz JFTWVMQOPPUYPF-SNVBAGLBSA-N 2 1 246.379 3.043 20 0 BGADMP CCC(C)(C)C1CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000902415270 584589590 /nfs/dbraw/zinc/58/95/90/584589590.db2.gz MUBLGFDARFDLDT-UHFFFAOYSA-N 2 1 238.419 3.062 20 0 BGADMP CCCCC1([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000902689274 584656575 /nfs/dbraw/zinc/65/65/75/584656575.db2.gz CDUMGBXKNNIWNV-CYBMUJFWSA-N 2 1 238.419 3.172 20 0 BGADMP CCCCC1([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000902689275 584656509 /nfs/dbraw/zinc/65/65/09/584656509.db2.gz CDUMGBXKNNIWNV-ZDUSSCGKSA-N 2 1 238.419 3.172 20 0 BGADMP CC(C)=CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903157296 584731207 /nfs/dbraw/zinc/73/12/07/584731207.db2.gz CPBXPGRMFVRCPA-VHRNVKJDSA-N 2 1 248.414 3.090 20 0 BGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903431048 584761378 /nfs/dbraw/zinc/76/13/78/584761378.db2.gz FDDIVMDYQJVBOC-FMKPAKJESA-N 2 1 246.398 3.115 20 0 BGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903431049 584761641 /nfs/dbraw/zinc/76/16/41/584761641.db2.gz FDDIVMDYQJVBOC-LZWOXQAQSA-N 2 1 246.398 3.115 20 0 BGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431712 584762048 /nfs/dbraw/zinc/76/20/48/584762048.db2.gz WHUXVEKKJKNQER-KFWWJZLASA-N 2 1 246.398 3.115 20 0 BGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431713 584761897 /nfs/dbraw/zinc/76/18/97/584761897.db2.gz WHUXVEKKJKNQER-ZNMIVQPWSA-N 2 1 246.398 3.115 20 0 BGADMP C[N@@H+](CCC1CCCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903434518 584761877 /nfs/dbraw/zinc/76/18/77/584761877.db2.gz GZEPJAJCMWMFIF-CABCVRRESA-N 2 1 238.419 3.016 20 0 BGADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCCCCCC1 ZINC000903434552 584762258 /nfs/dbraw/zinc/76/22/58/584762258.db2.gz HXDKJTVBSFLLHN-KGLIPLIRSA-N 2 1 238.419 3.159 20 0 BGADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903435395 584762015 /nfs/dbraw/zinc/76/20/15/584762015.db2.gz RPRXGLOITIJPHF-DGAVXFQQSA-N 2 1 238.419 3.013 20 0 BGADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903435396 584762402 /nfs/dbraw/zinc/76/24/02/584762402.db2.gz RPRXGLOITIJPHF-FQUUOJAGSA-N 2 1 238.419 3.013 20 0 BGADMP CC[C@@H](C)[C@H](C)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903435397 584761964 /nfs/dbraw/zinc/76/19/64/584761964.db2.gz RPRXGLOITIJPHF-RQJABVFESA-N 2 1 238.419 3.013 20 0 BGADMP CC[C@@H](C)[C@@H](C)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903435398 584762010 /nfs/dbraw/zinc/76/20/10/584762010.db2.gz RPRXGLOITIJPHF-SYQHCUMBSA-N 2 1 238.419 3.013 20 0 BGADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439505 584762912 /nfs/dbraw/zinc/76/29/12/584762912.db2.gz IXRZVSKHQVIKSN-APIJFGDWSA-N 2 1 238.419 3.014 20 0 BGADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439506 584762606 /nfs/dbraw/zinc/76/26/06/584762606.db2.gz IXRZVSKHQVIKSN-KBXIAJHMSA-N 2 1 238.419 3.014 20 0 BGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439507 584762735 /nfs/dbraw/zinc/76/27/35/584762735.db2.gz IXRZVSKHQVIKSN-LJISPDSOSA-N 2 1 238.419 3.014 20 0 BGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439508 584762684 /nfs/dbraw/zinc/76/26/84/584762684.db2.gz IXRZVSKHQVIKSN-XGUBFFRZSA-N 2 1 238.419 3.014 20 0 BGADMP CCC[C@@]1(C)CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439575 584762540 /nfs/dbraw/zinc/76/25/40/584762540.db2.gz LABYSWYCNNZASJ-ILXRZTDVSA-N 2 1 238.419 3.016 20 0 BGADMP CCC[C@]1(C)CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439576 584762733 /nfs/dbraw/zinc/76/27/33/584762733.db2.gz LABYSWYCNNZASJ-QLFBSQMISA-N 2 1 238.419 3.016 20 0 BGADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440094 584763221 /nfs/dbraw/zinc/76/32/21/584763221.db2.gz SPKNPLAUCBFNQQ-ILXRZTDVSA-N 2 1 238.419 3.014 20 0 BGADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440095 584763429 /nfs/dbraw/zinc/76/34/29/584763429.db2.gz SPKNPLAUCBFNQQ-QLFBSQMISA-N 2 1 238.419 3.014 20 0 BGADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440102 584763219 /nfs/dbraw/zinc/76/32/19/584763219.db2.gz SSPYSWUHMHAIHM-APIJFGDWSA-N 2 1 238.419 3.014 20 0 BGADMP CCC[C@H]1[C@H](C)CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440103 584763315 /nfs/dbraw/zinc/76/33/15/584763315.db2.gz SSPYSWUHMHAIHM-KBXIAJHMSA-N 2 1 238.419 3.014 20 0 BGADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440104 584763138 /nfs/dbraw/zinc/76/31/38/584763138.db2.gz SSPYSWUHMHAIHM-LJISPDSOSA-N 2 1 238.419 3.014 20 0 BGADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440105 584763080 /nfs/dbraw/zinc/76/30/80/584763080.db2.gz SSPYSWUHMHAIHM-XGUBFFRZSA-N 2 1 238.419 3.014 20 0 BGADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454310 584773743 /nfs/dbraw/zinc/77/37/43/584773743.db2.gz ADYIIAPGKZJNIC-GUTXKFCHSA-N 2 1 238.419 3.014 20 0 BGADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460854 584766416 /nfs/dbraw/zinc/76/64/16/584766416.db2.gz KEVJIOXGTISDKR-ILXRZTDVSA-N 2 1 238.419 3.014 20 0 BGADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460855 584766742 /nfs/dbraw/zinc/76/67/42/584766742.db2.gz KEVJIOXGTISDKR-QLFBSQMISA-N 2 1 238.419 3.014 20 0 BGADMP CCCCC[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461223 584766458 /nfs/dbraw/zinc/76/64/58/584766458.db2.gz QAGAJUXSSVCCMU-ILXRZTDVSA-N 2 1 238.419 3.159 20 0 BGADMP CCCCC[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461224 584766626 /nfs/dbraw/zinc/76/66/26/584766626.db2.gz QAGAJUXSSVCCMU-QLFBSQMISA-N 2 1 238.419 3.159 20 0 BGADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461654 637362070 /nfs/dbraw/zinc/36/20/70/637362070.db2.gz XGBVTHIIACEHNE-APIJFGDWSA-N 2 1 238.419 3.014 20 0 BGADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461655 637362800 /nfs/dbraw/zinc/36/28/00/637362800.db2.gz XGBVTHIIACEHNE-KBXIAJHMSA-N 2 1 238.419 3.014 20 0 BGADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461656 637363222 /nfs/dbraw/zinc/36/32/22/637363222.db2.gz XGBVTHIIACEHNE-LJISPDSOSA-N 2 1 238.419 3.014 20 0 BGADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461657 637362437 /nfs/dbraw/zinc/36/24/37/637362437.db2.gz XGBVTHIIACEHNE-XGUBFFRZSA-N 2 1 238.419 3.014 20 0 BGADMP CC1(C)CCC(C)(C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903464666 584774191 /nfs/dbraw/zinc/77/41/91/584774191.db2.gz VMVGTRKOMGNLRB-OLZOCXBDSA-N 2 1 238.419 3.014 20 0 BGADMP CCC(CC)[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903723666 637380013 /nfs/dbraw/zinc/38/00/13/637380013.db2.gz XRQYSRBCQMYUQI-CYBMUJFWSA-N 2 1 238.419 3.029 20 0 BGADMP CCC(CC)[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903723667 637379431 /nfs/dbraw/zinc/37/94/31/637379431.db2.gz XRQYSRBCQMYUQI-ZDUSSCGKSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000903725337 637379266 /nfs/dbraw/zinc/37/92/66/637379266.db2.gz YSODSXSUJICSFO-AWEZNQCLSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000903725338 637379775 /nfs/dbraw/zinc/37/97/75/637379775.db2.gz YSODSXSUJICSFO-CQSZACIVSA-N 2 1 238.419 3.029 20 0 BGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000903768183 584798030 /nfs/dbraw/zinc/79/80/30/584798030.db2.gz LNNPWSFBFDXYKS-DZGCQCFKSA-N 2 1 246.398 3.122 20 0 BGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000903768184 584798263 /nfs/dbraw/zinc/79/82/63/584798263.db2.gz LNNPWSFBFDXYKS-HIFRSBDPSA-N 2 1 246.398 3.122 20 0 BGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000903768185 584798026 /nfs/dbraw/zinc/79/80/26/584798026.db2.gz LNNPWSFBFDXYKS-UKRRQHHQSA-N 2 1 246.398 3.122 20 0 BGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000903768186 584798269 /nfs/dbraw/zinc/79/82/69/584798269.db2.gz LNNPWSFBFDXYKS-ZFWWWQNUSA-N 2 1 246.398 3.122 20 0 BGADMP C=C/C=C\CC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811890 584803696 /nfs/dbraw/zinc/80/36/96/584803696.db2.gz PPEMZZITZIEZFY-ABCZVMIZSA-N 2 1 248.414 3.102 20 0 BGADMP C=C/C=C/CC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811891 584803477 /nfs/dbraw/zinc/80/34/77/584803477.db2.gz PPEMZZITZIEZFY-BWPKMQGJSA-N 2 1 248.414 3.102 20 0 BGADMP C=C/C=C\CC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812092 584803214 /nfs/dbraw/zinc/80/32/14/584803214.db2.gz PPEMZZITZIEZFY-JZIMQPMSSA-N 2 1 248.414 3.102 20 0 BGADMP C=C/C=C/CC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812093 584803584 /nfs/dbraw/zinc/80/35/84/584803584.db2.gz PPEMZZITZIEZFY-NHZBNJEXSA-N 2 1 248.414 3.102 20 0 BGADMP CC(C)(C)[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301913 584861815 /nfs/dbraw/zinc/86/18/15/584861815.db2.gz OHRQLOKQYMCFAL-GASCZTMLSA-N 2 1 246.398 3.024 20 0 BGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c(C)c1 ZINC000904307846 584863047 /nfs/dbraw/zinc/86/30/47/584863047.db2.gz GTJSNRLFCHXFMT-KFWWJZLASA-N 2 1 246.398 3.034 20 0 BGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c(C)c1 ZINC000904307847 584862667 /nfs/dbraw/zinc/86/26/67/584862667.db2.gz GTJSNRLFCHXFMT-SOUVJXGZSA-N 2 1 246.398 3.034 20 0 BGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309986 584862729 /nfs/dbraw/zinc/86/27/29/584862729.db2.gz UFHJIJIHDSOUQI-IMJJTQAJSA-N 2 1 246.398 3.197 20 0 BGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309987 584862955 /nfs/dbraw/zinc/86/29/55/584862955.db2.gz UFHJIJIHDSOUQI-VNQPRFMTSA-N 2 1 246.398 3.197 20 0 BGADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CCCCC1 ZINC000904312534 584862603 /nfs/dbraw/zinc/86/26/03/584862603.db2.gz JUIFYWFGJNONJP-GASCZTMLSA-N 2 1 238.419 3.016 20 0 BGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320263 584864162 /nfs/dbraw/zinc/86/41/62/584864162.db2.gz FYJZJDVTXKXPHK-IMJJTQAJSA-N 2 1 246.398 3.053 20 0 BGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320264 584864092 /nfs/dbraw/zinc/86/40/92/584864092.db2.gz FYJZJDVTXKXPHK-VNQPRFMTSA-N 2 1 246.398 3.053 20 0 BGADMP CC(C)C[C@H]1CCCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904324561 584865402 /nfs/dbraw/zinc/86/54/02/584865402.db2.gz YFPXEOCITAVSFD-QLFBSQMISA-N 2 1 238.419 3.014 20 0 BGADMP CC(C)C[C@@H]1CCCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904324563 584865426 /nfs/dbraw/zinc/86/54/26/584865426.db2.gz YFPXEOCITAVSFD-ZNMIVQPWSA-N 2 1 238.419 3.014 20 0 BGADMP CC(C)CC[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328322 584865204 /nfs/dbraw/zinc/86/52/04/584865204.db2.gz NNNJEIBMAQCZBI-QLFBSQMISA-N 2 1 238.419 3.014 20 0 BGADMP CC(C)CC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328327 584865687 /nfs/dbraw/zinc/86/56/87/584865687.db2.gz NNNJEIBMAQCZBI-ZNMIVQPWSA-N 2 1 238.419 3.014 20 0 BGADMP CCCC1CCC([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904346257 584868180 /nfs/dbraw/zinc/86/81/80/584868180.db2.gz SAIOZCLQZQEPLV-HFDVOGEKSA-N 2 1 238.419 3.014 20 0 BGADMP CCC1(CC)CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904347153 584868259 /nfs/dbraw/zinc/86/82/59/584868259.db2.gz CYHVTJRCTCTXDE-OKILXGFUSA-N 2 1 238.419 3.016 20 0 BGADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000904384503 584877513 /nfs/dbraw/zinc/87/75/13/584877513.db2.gz LRDZUSUCVRFGAO-FRRDWIJNSA-N 2 1 244.398 3.010 20 0 BGADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000904384513 584877415 /nfs/dbraw/zinc/87/74/15/584877415.db2.gz LRDZUSUCVRFGAO-RWMBFGLXSA-N 2 1 244.398 3.010 20 0 BGADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C(C)(C)/C=C/Cl ZINC000904389035 584874872 /nfs/dbraw/zinc/87/48/72/584874872.db2.gz RKOJBNQFSDWDKJ-ANYFNZRUSA-N 2 1 246.826 3.261 20 0 BGADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C(C)(C)/C=C/Cl ZINC000904389036 584875033 /nfs/dbraw/zinc/87/50/33/584875033.db2.gz RKOJBNQFSDWDKJ-FBOQAHMBSA-N 2 1 246.826 3.261 20 0 BGADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C(C)(C)/C=C\Cl ZINC000904389037 584875038 /nfs/dbraw/zinc/87/50/38/584875038.db2.gz RKOJBNQFSDWDKJ-IQQGHNRFSA-N 2 1 246.826 3.261 20 0 BGADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C(C)(C)/C=C\Cl ZINC000904389038 584875040 /nfs/dbraw/zinc/87/50/40/584875040.db2.gz RKOJBNQFSDWDKJ-TYBABMIJSA-N 2 1 246.826 3.261 20 0 BGADMP CCCC[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000906527330 638191428 /nfs/dbraw/zinc/19/14/28/638191428.db2.gz PMVWYYIYVFFYOV-AWEZNQCLSA-N 2 1 226.408 3.031 20 0 BGADMP CCCC[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000906527332 638191529 /nfs/dbraw/zinc/19/15/29/638191529.db2.gz PMVWYYIYVFFYOV-CQSZACIVSA-N 2 1 226.408 3.031 20 0 BGADMP CCCC[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000906529658 638195146 /nfs/dbraw/zinc/19/51/46/638195146.db2.gz QSFGBCMXODSJKA-UHFFFAOYSA-N 2 1 234.387 3.028 20 0 BGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923304191 644342398 /nfs/dbraw/zinc/34/23/98/644342398.db2.gz OSMMJHDZPQNVQO-AWEZNQCLSA-N 2 1 246.398 3.130 20 0 BGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923304192 644341814 /nfs/dbraw/zinc/34/18/14/644341814.db2.gz OSMMJHDZPQNVQO-CQSZACIVSA-N 2 1 246.398 3.130 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498809 644472180 /nfs/dbraw/zinc/47/21/80/644472180.db2.gz QDACSTANWMKOLS-CWRNSKLLSA-N 2 1 246.398 3.054 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498812 644474160 /nfs/dbraw/zinc/47/41/60/644474160.db2.gz QDACSTANWMKOLS-FVQBIDKESA-N 2 1 246.398 3.054 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498815 644473865 /nfs/dbraw/zinc/47/38/65/644473865.db2.gz QDACSTANWMKOLS-NUEKZKHPSA-N 2 1 246.398 3.054 20 0 BGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498816 644473263 /nfs/dbraw/zinc/47/32/63/644473263.db2.gz QDACSTANWMKOLS-VNQPRFMTSA-N 2 1 246.398 3.054 20 0 BGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1coc2ccccc12 ZINC000924542123 646060867 /nfs/dbraw/zinc/06/08/67/646060867.db2.gz ZHCRWDFLOANLPO-GFCCVEGCSA-N 2 1 246.354 3.035 20 0 BGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1coc2ccccc12 ZINC000924542125 646061754 /nfs/dbraw/zinc/06/17/54/646061754.db2.gz ZHCRWDFLOANLPO-LBPRGKRZSA-N 2 1 246.354 3.035 20 0 BGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC2(C1)CCCC2 ZINC000924617198 646078601 /nfs/dbraw/zinc/07/86/01/646078601.db2.gz KSFFUFVMUVPMGP-UHFFFAOYSA-N 2 1 238.419 3.029 20 0 BGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000925583174 634088646 /nfs/dbraw/zinc/08/86/46/634088646.db2.gz JRVWTJJVVRYEOZ-GXTWGEPZSA-N 2 1 234.387 3.101 20 0 BGADMP C[C@H]([NH3+])[C@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000925583175 634089965 /nfs/dbraw/zinc/08/99/65/634089965.db2.gz JRVWTJJVVRYEOZ-JSGCOSHPSA-N 2 1 234.387 3.101 20 0 BGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000925583176 634089523 /nfs/dbraw/zinc/08/95/23/634089523.db2.gz JRVWTJJVVRYEOZ-OCCSQVGLSA-N 2 1 234.387 3.101 20 0 BGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000925583177 634088287 /nfs/dbraw/zinc/08/82/87/634088287.db2.gz JRVWTJJVVRYEOZ-TZMCWYRMSA-N 2 1 234.387 3.101 20 0 BGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000925618192 634171264 /nfs/dbraw/zinc/17/12/64/634171264.db2.gz UTJCEZJDQISJGO-DZKIICNBSA-N 2 1 244.382 3.021 20 0 BGADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000925618194 634169829 /nfs/dbraw/zinc/16/98/29/634169829.db2.gz UTJCEZJDQISJGO-LZWOXQAQSA-N 2 1 244.382 3.021 20 0 BGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000925618195 634171093 /nfs/dbraw/zinc/17/10/93/634171093.db2.gz UTJCEZJDQISJGO-OFQRWUPVSA-N 2 1 244.382 3.021 20 0 BGADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000925618196 634170334 /nfs/dbraw/zinc/17/03/34/634170334.db2.gz UTJCEZJDQISJGO-SQWLQELKSA-N 2 1 244.382 3.021 20 0 BGADMP CCC(C)(C)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925649274 646389440 /nfs/dbraw/zinc/38/94/40/646389440.db2.gz CQFRLXWZSVIZQG-GXTWGEPZSA-N 2 1 234.387 3.101 20 0 BGADMP CCC(C)(C)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925649275 646390477 /nfs/dbraw/zinc/39/04/77/646390477.db2.gz CQFRLXWZSVIZQG-JSGCOSHPSA-N 2 1 234.387 3.101 20 0 BGADMP CCC(C)(C)C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925649276 646389939 /nfs/dbraw/zinc/38/99/39/646389939.db2.gz CQFRLXWZSVIZQG-OCCSQVGLSA-N 2 1 234.387 3.101 20 0 BGADMP CCC(C)(C)C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925649277 646388888 /nfs/dbraw/zinc/38/88/88/646388888.db2.gz CQFRLXWZSVIZQG-TZMCWYRMSA-N 2 1 234.387 3.101 20 0 BGADMP CC(C)=CCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925660125 646396868 /nfs/dbraw/zinc/39/68/68/646396868.db2.gz ZZRFCOQHXIPMGY-DZGCQCFKSA-N 2 1 232.371 3.021 20 0 BGADMP CC(C)=CCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925660126 646396556 /nfs/dbraw/zinc/39/65/56/646396556.db2.gz ZZRFCOQHXIPMGY-HIFRSBDPSA-N 2 1 232.371 3.021 20 0 BGADMP CC(C)=CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925660127 646395987 /nfs/dbraw/zinc/39/59/87/646395987.db2.gz ZZRFCOQHXIPMGY-UKRRQHHQSA-N 2 1 232.371 3.021 20 0 BGADMP CC(C)=CCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925660128 646392352 /nfs/dbraw/zinc/39/23/52/646392352.db2.gz ZZRFCOQHXIPMGY-ZFWWWQNUSA-N 2 1 232.371 3.021 20 0 BGADMP C[C@H]([NH3+])[C@H]([NH2+]CCC1CC=CC1)c1ccccc1 ZINC000925830425 646501756 /nfs/dbraw/zinc/50/17/56/646501756.db2.gz DEKMRHVCTBQZQF-BBRMVZONSA-N 2 1 244.382 3.021 20 0 BGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCC1CC=CC1)c1ccccc1 ZINC000925830426 646501433 /nfs/dbraw/zinc/50/14/33/646501433.db2.gz DEKMRHVCTBQZQF-CJNGLKHVSA-N 2 1 244.382 3.021 20 0 BGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCC1CC=CC1)c1ccccc1 ZINC000925830427 646500969 /nfs/dbraw/zinc/50/09/69/646500969.db2.gz DEKMRHVCTBQZQF-CZUORRHYSA-N 2 1 244.382 3.021 20 0 BGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCC1CC=CC1)c1ccccc1 ZINC000925830430 646501115 /nfs/dbraw/zinc/50/11/15/646501115.db2.gz DEKMRHVCTBQZQF-XJKSGUPXSA-N 2 1 244.382 3.021 20 0 BGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000926446488 646640259 /nfs/dbraw/zinc/64/02/59/646640259.db2.gz FUOSRXZCUWKQPR-ZDUSSCGKSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000926446488 646640257 /nfs/dbraw/zinc/64/02/57/646640257.db2.gz FUOSRXZCUWKQPR-ZDUSSCGKSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000926449366 646642089 /nfs/dbraw/zinc/64/20/89/646642089.db2.gz FUOSRXZCUWKQPR-CYBMUJFWSA-N 2 1 238.419 3.028 20 0 BGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000926449366 646642085 /nfs/dbraw/zinc/64/20/85/646642085.db2.gz FUOSRXZCUWKQPR-CYBMUJFWSA-N 2 1 238.419 3.028 20 0 BGADMP C[C@@H](c1ccccc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931348250 640165644 /nfs/dbraw/zinc/16/56/44/640165644.db2.gz FIXMXHRTWDVWAN-AWEZNQCLSA-N 2 1 246.398 3.164 20 0 BGADMP C[C@H](c1ccccc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931348252 640164746 /nfs/dbraw/zinc/16/47/46/640164746.db2.gz FIXMXHRTWDVWAN-CQSZACIVSA-N 2 1 246.398 3.164 20 0 BGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC1=CCCCC1 ZINC000931718711 640335948 /nfs/dbraw/zinc/33/59/48/640335948.db2.gz DQMUQGMRTGCILP-JKSUJKDBSA-N 2 1 248.414 3.045 20 0 BGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC000931718711 640335947 /nfs/dbraw/zinc/33/59/47/640335947.db2.gz DQMUQGMRTGCILP-JKSUJKDBSA-N 2 1 248.414 3.045 20 0 BGADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1=CCCCC1 ZINC000931718711 640335943 /nfs/dbraw/zinc/33/59/43/640335943.db2.gz DQMUQGMRTGCILP-JKSUJKDBSA-N 2 1 248.414 3.045 20 0 BGADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1=CCCCC1 ZINC000931718711 640335936 /nfs/dbraw/zinc/33/59/36/640335936.db2.gz DQMUQGMRTGCILP-JKSUJKDBSA-N 2 1 248.414 3.045 20 0 BGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C3CC3)CC2)[nH+]c1C ZINC000931749678 640350830 /nfs/dbraw/zinc/35/08/30/640350830.db2.gz VDDGIOVLRJBAHL-GFCCVEGCSA-N 2 1 247.386 3.004 20 0 BGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)C3CC3)CC2)[nH+]c1C ZINC000931749682 640350727 /nfs/dbraw/zinc/35/07/27/640350727.db2.gz VDDGIOVLRJBAHL-LBPRGKRZSA-N 2 1 247.386 3.004 20 0 BGADMP CCCCC1([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000934206228 631732454 /nfs/dbraw/zinc/73/24/54/631732454.db2.gz RHHITTPHHVNCMD-UHFFFAOYSA-N 2 1 249.402 3.284 20 0 BGADMP