smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CC[C@@H](C)[NH2+]CC[NH+](C)C 19278044 537777122 /nfs/dbraw/zinc/77/71/22/537777122.db2.gz CIDKVZCZEYXTES-LLVKDONJSA-N 2 2 186.343 1.962 20 0 ADADLP CC(C)CC[C@H](C)[NH2+]CC[NH+](C)C 19278046 537778814 /nfs/dbraw/zinc/77/88/14/537778814.db2.gz CIDKVZCZEYXTES-NSHDSACASA-N 2 2 186.343 1.962 20 0 ADADLP CC(C)[C@H](C)[NH2+]CC[NH+]1CCCC1 20126871 537780123 /nfs/dbraw/zinc/78/01/23/537780123.db2.gz XSAFUXXZJWGXJP-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H](C)C[NH2+]CC[NH+]1CCCC1 20127058 537780613 /nfs/dbraw/zinc/78/06/13/537780613.db2.gz GMWZQTFJMRVODO-NSHDSACASA-N 2 2 184.327 1.718 20 0 ADADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CC1 20125791 537780971 /nfs/dbraw/zinc/78/09/71/537780971.db2.gz PIRXYJIFGFJWFP-VIFPVBQESA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[C@H](C)[NH2+]CC(C)(C)[NH+](C)C 20125810 537781005 /nfs/dbraw/zinc/78/10/05/537781005.db2.gz SLOYZFHLVQYXAA-JTQLQIEISA-N 2 2 186.343 1.961 20 0 ADADLP CC[C@H](C)C[NH2+]CC(C)(C)[NH+](C)C 20125993 537781079 /nfs/dbraw/zinc/78/10/79/537781079.db2.gz BJCORHIFIYEZSG-JTQLQIEISA-N 2 2 186.343 1.962 20 0 ADADLP CC[C@@H](C)C[NH2+]CC[NH+]1CCCC1 20127057 537781140 /nfs/dbraw/zinc/78/11/40/537781140.db2.gz GMWZQTFJMRVODO-LLVKDONJSA-N 2 2 184.327 1.718 20 0 ADADLP CC(C)C[C@@H](C[NH2+]C(C)C)[NH+](C)C 20201517 537781412 /nfs/dbraw/zinc/78/14/12/537781412.db2.gz WBIDLFIXZQVXQP-NSHDSACASA-N 2 2 186.343 1.961 20 0 ADADLP CC[C@@H](C)C[NH2+]CC(C)(C)[NH+](C)C 20125992 537781973 /nfs/dbraw/zinc/78/19/73/537781973.db2.gz BJCORHIFIYEZSG-SNVBAGLBSA-N 2 2 186.343 1.962 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CC[NH+]1CCCC1 20126870 537782313 /nfs/dbraw/zinc/78/23/13/537782313.db2.gz XSAFUXXZJWGXJP-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C 20125809 537782474 /nfs/dbraw/zinc/78/24/74/537782474.db2.gz SLOYZFHLVQYXAA-SNVBAGLBSA-N 2 2 186.343 1.961 20 0 ADADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CC1 20125790 537782810 /nfs/dbraw/zinc/78/28/10/537782810.db2.gz PIRXYJIFGFJWFP-SECBINFHSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C1CC1 20126852 537782886 /nfs/dbraw/zinc/78/28/86/537782886.db2.gz PXTYYAXSTFAEOO-JTQLQIEISA-N 2 2 182.311 1.470 20 0 ADADLP CC(C)C[C@H](C[NH2+]C(C)C)[NH+](C)C 20201519 537783094 /nfs/dbraw/zinc/78/30/94/537783094.db2.gz WBIDLFIXZQVXQP-LLVKDONJSA-N 2 2 186.343 1.961 20 0 ADADLP CCC[N@H+](CC[NH3+])Cc1ccccc1 32008610 537787946 /nfs/dbraw/zinc/78/79/46/537787946.db2.gz FKQJZXRVGQWYQG-UHFFFAOYSA-N 2 2 192.306 1.857 20 0 ADADLP CCC[N@@H+](CC[NH3+])Cc1ccccc1 32008610 537787955 /nfs/dbraw/zinc/78/79/55/537787955.db2.gz FKQJZXRVGQWYQG-UHFFFAOYSA-N 2 2 192.306 1.857 20 0 ADADLP CC(C)[NH2+]CC(C)(C)[NH+](C)C 22953130 537788469 /nfs/dbraw/zinc/78/84/69/537788469.db2.gz WZLVUMPNPFIEJJ-UHFFFAOYSA-N 2 2 158.289 1.325 20 0 ADADLP c1cn(CCC[NH+]2CCCCC2)c[nH+]1 34477658 537791856 /nfs/dbraw/zinc/79/18/56/537791856.db2.gz NAQUJENJXXPCMC-UHFFFAOYSA-N 2 2 193.294 1.759 20 0 ADADLP C[NH+](C)C(C)(C)C[NH2+]CC1CC1 36882434 537802255 /nfs/dbraw/zinc/80/22/55/537802255.db2.gz TTYVZDPXCRWYLR-UHFFFAOYSA-N 2 2 170.300 1.326 20 0 ADADLP CCc1ccc(C[N@H+](C)CC[NH3+])cc1 36198795 537802542 /nfs/dbraw/zinc/80/25/42/537802542.db2.gz XTSFGEXHSHRZLI-UHFFFAOYSA-N 2 2 192.306 1.640 20 0 ADADLP CCc1ccc(C[N@@H+](C)CC[NH3+])cc1 36198795 537802552 /nfs/dbraw/zinc/80/25/52/537802552.db2.gz XTSFGEXHSHRZLI-UHFFFAOYSA-N 2 2 192.306 1.640 20 0 ADADLP CC(C)[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 37157751 537804866 /nfs/dbraw/zinc/80/48/66/537804866.db2.gz VIWKOQORTPAINA-QWRGUYRKSA-N 2 2 195.310 1.906 20 0 ADADLP CC(C)[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 37157755 537804926 /nfs/dbraw/zinc/80/49/26/537804926.db2.gz VIWKOQORTPAINA-MNOVXSKESA-N 2 2 195.310 1.906 20 0 ADADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C1CC1 37157934 537805001 /nfs/dbraw/zinc/80/50/01/537805001.db2.gz JDRBDWFZCMSGAV-NXEZZACHSA-N 2 2 193.294 1.660 20 0 ADADLP CC(C)[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 37157753 537805903 /nfs/dbraw/zinc/80/59/03/537805903.db2.gz VIWKOQORTPAINA-GHMZBOCLSA-N 2 2 195.310 1.906 20 0 ADADLP CC[C@@H](C)C[NH2+][C@H](C)Cn1cc[nH+]c1 37157002 537805924 /nfs/dbraw/zinc/80/59/24/537805924.db2.gz YASACSFMVLVPQZ-GHMZBOCLSA-N 2 2 195.310 1.907 20 0 ADADLP CC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 37157625 537806105 /nfs/dbraw/zinc/80/61/05/537806105.db2.gz JLAQBCPKKWBBME-VHSXEESVSA-N 2 2 181.283 1.660 20 0 ADADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1CC1 37158290 537806174 /nfs/dbraw/zinc/80/61/74/537806174.db2.gz YICDTTXXZQJJAF-SECBINFHSA-N 2 2 179.267 1.271 20 0 ADADLP CC(C)[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 37157749 537806203 /nfs/dbraw/zinc/80/62/03/537806203.db2.gz VIWKOQORTPAINA-WDEREUQCSA-N 2 2 195.310 1.906 20 0 ADADLP CC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 37157621 537806232 /nfs/dbraw/zinc/80/62/32/537806232.db2.gz JLAQBCPKKWBBME-UWVGGRQHSA-N 2 2 181.283 1.660 20 0 ADADLP CC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 37157619 537806299 /nfs/dbraw/zinc/80/62/99/537806299.db2.gz JLAQBCPKKWBBME-ZJUUUORDSA-N 2 2 181.283 1.660 20 0 ADADLP CC(C)[NH2+][C@H](C)C[NH+]1CCCCC1 37154255 537806387 /nfs/dbraw/zinc/80/63/87/537806387.db2.gz RXSQBIGXYBLPAN-LLVKDONJSA-N 2 2 184.327 1.859 20 0 ADADLP C[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)C1CC1 37157930 537806483 /nfs/dbraw/zinc/80/64/83/537806483.db2.gz JDRBDWFZCMSGAV-ZJUUUORDSA-N 2 2 193.294 1.660 20 0 ADADLP CC[C@@H](C)C[NH2+][C@@H](C)Cn1cc[nH+]c1 37156998 537806941 /nfs/dbraw/zinc/80/69/41/537806941.db2.gz YASACSFMVLVPQZ-MNOVXSKESA-N 2 2 195.310 1.907 20 0 ADADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CC1 37157928 537806960 /nfs/dbraw/zinc/80/69/60/537806960.db2.gz JDRBDWFZCMSGAV-UWVGGRQHSA-N 2 2 193.294 1.660 20 0 ADADLP CC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 37157623 537807364 /nfs/dbraw/zinc/80/73/64/537807364.db2.gz JLAQBCPKKWBBME-NXEZZACHSA-N 2 2 181.283 1.660 20 0 ADADLP CC[C@H](C)C[NH2+][C@@H](C)Cn1cc[nH+]c1 37157000 537807432 /nfs/dbraw/zinc/80/74/32/537807432.db2.gz YASACSFMVLVPQZ-QWRGUYRKSA-N 2 2 195.310 1.907 20 0 ADADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C1CC1 37157932 537807893 /nfs/dbraw/zinc/80/78/93/537807893.db2.gz JDRBDWFZCMSGAV-VHSXEESVSA-N 2 2 193.294 1.660 20 0 ADADLP CC(C)[NH2+][C@@H](C)C[NH+]1CCCCC1 37154253 537808319 /nfs/dbraw/zinc/80/83/19/537808319.db2.gz RXSQBIGXYBLPAN-NSHDSACASA-N 2 2 184.327 1.859 20 0 ADADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1CC1 37158288 537808569 /nfs/dbraw/zinc/80/85/69/537808569.db2.gz YICDTTXXZQJJAF-VIFPVBQESA-N 2 2 179.267 1.271 20 0 ADADLP CC[C@H](C)C[NH2+][C@H](C)Cn1cc[nH+]c1 37157004 537808675 /nfs/dbraw/zinc/80/86/75/537808675.db2.gz YASACSFMVLVPQZ-WDEREUQCSA-N 2 2 195.310 1.907 20 0 ADADLP CC[C@H]([NH2+]CC[NH+](C)C)C(C)C 37184078 537809707 /nfs/dbraw/zinc/80/97/07/537809707.db2.gz CZFXVMJCVRQWJT-JTQLQIEISA-N 2 2 172.316 1.572 20 0 ADADLP CCCC[C@H](C)[NH2+]CC[NH+](C)C 37184077 537810302 /nfs/dbraw/zinc/81/03/02/537810302.db2.gz UBQQHSQOMMIPPG-JTQLQIEISA-N 2 2 172.316 1.716 20 0 ADADLP CCCC[C@@H](C)[NH2+]CC[NH+](C)C 37184076 537810412 /nfs/dbraw/zinc/81/04/12/537810412.db2.gz UBQQHSQOMMIPPG-SNVBAGLBSA-N 2 2 172.316 1.716 20 0 ADADLP CC[C@@H]([NH2+]CC[NH+](C)C)C(C)C 37184079 537811733 /nfs/dbraw/zinc/81/17/33/537811733.db2.gz CZFXVMJCVRQWJT-SNVBAGLBSA-N 2 2 172.316 1.572 20 0 ADADLP CC[C@@H](C)[NH2+]CC[N@H+](CC)C1CC1 37479929 537814152 /nfs/dbraw/zinc/81/41/52/537814152.db2.gz KIYDNEIAKSWTQL-SNVBAGLBSA-N 2 2 184.327 1.859 20 0 ADADLP CC[C@@H](C)[NH2+]CC[N@@H+](CC)C1CC1 37479929 537814157 /nfs/dbraw/zinc/81/41/57/537814157.db2.gz KIYDNEIAKSWTQL-SNVBAGLBSA-N 2 2 184.327 1.859 20 0 ADADLP CC[C@H](C)[NH2+]CC[N@H+](C)C(C)C 37479896 537814369 /nfs/dbraw/zinc/81/43/69/537814369.db2.gz ZJXNJWYHJXOOPL-JTQLQIEISA-N 2 2 172.316 1.715 20 0 ADADLP CC[C@H](C)[NH2+]CC[N@@H+](C)C(C)C 37479896 537814374 /nfs/dbraw/zinc/81/43/74/537814374.db2.gz ZJXNJWYHJXOOPL-JTQLQIEISA-N 2 2 172.316 1.715 20 0 ADADLP CC1CC[NH+](CC[NH2+]CC2CC2)CC1 37478466 537814520 /nfs/dbraw/zinc/81/45/20/537814520.db2.gz GGUNEJSAYVFVRF-UHFFFAOYSA-N 2 2 196.338 1.718 20 0 ADADLP CC(C)[N@H+](C)CC[NH2+]CC1CC1 37478506 537814715 /nfs/dbraw/zinc/81/47/15/537814715.db2.gz NRPNOHFELOYPNA-UHFFFAOYSA-N 2 2 170.300 1.326 20 0 ADADLP CC(C)[N@@H+](C)CC[NH2+]CC1CC1 37478506 537814720 /nfs/dbraw/zinc/81/47/20/537814720.db2.gz NRPNOHFELOYPNA-UHFFFAOYSA-N 2 2 170.300 1.326 20 0 ADADLP CC[N@H+](CC[NH2+]CC1CC1)C1CC1 37478547 537814872 /nfs/dbraw/zinc/81/48/72/537814872.db2.gz SQDPNGXQYFUABS-UHFFFAOYSA-N 2 2 182.311 1.470 20 0 ADADLP CC[N@@H+](CC[NH2+]CC1CC1)C1CC1 37478547 537814878 /nfs/dbraw/zinc/81/48/78/537814878.db2.gz SQDPNGXQYFUABS-UHFFFAOYSA-N 2 2 182.311 1.470 20 0 ADADLP CC[C@H](C)[NH2+]CC[N@H+](CC)C1CC1 37479930 537816802 /nfs/dbraw/zinc/81/68/02/537816802.db2.gz KIYDNEIAKSWTQL-JTQLQIEISA-N 2 2 184.327 1.859 20 0 ADADLP CC[C@H](C)[NH2+]CC[N@@H+](CC)C1CC1 37479930 537816810 /nfs/dbraw/zinc/81/68/10/537816810.db2.gz KIYDNEIAKSWTQL-JTQLQIEISA-N 2 2 184.327 1.859 20 0 ADADLP CCCC[N@H+](C)CC[NH2+]CC1CC1 37478500 537817279 /nfs/dbraw/zinc/81/72/79/537817279.db2.gz TVXMHXQGZFXBCL-UHFFFAOYSA-N 2 2 184.327 1.718 20 0 ADADLP CCCC[N@@H+](C)CC[NH2+]CC1CC1 37478500 537817283 /nfs/dbraw/zinc/81/72/83/537817283.db2.gz TVXMHXQGZFXBCL-UHFFFAOYSA-N 2 2 184.327 1.718 20 0 ADADLP CC[C@@H](C)[NH2+]CC[N@H+](C)C(C)C 37479895 537818321 /nfs/dbraw/zinc/81/83/21/537818321.db2.gz ZJXNJWYHJXOOPL-SNVBAGLBSA-N 2 2 172.316 1.715 20 0 ADADLP CC[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C 37479895 537818330 /nfs/dbraw/zinc/81/83/30/537818330.db2.gz ZJXNJWYHJXOOPL-SNVBAGLBSA-N 2 2 172.316 1.715 20 0 ADADLP C[NH+](C)CC[NH2+]C(C1CC1)C1CC1 37513205 537821477 /nfs/dbraw/zinc/82/14/77/537821477.db2.gz KKRFZNQJCUZSPY-UHFFFAOYSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 38088490 537822930 /nfs/dbraw/zinc/82/29/30/537822930.db2.gz JULXGMZPTXKQKB-RKDXNWHRSA-N 2 2 170.300 1.325 20 0 ADADLP CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C(C)C 38087647 537823094 /nfs/dbraw/zinc/82/30/94/537823094.db2.gz XNUCSWNDFYTNSM-MNOVXSKESA-N 2 2 186.343 1.961 20 0 ADADLP C[C@@H](C[NH2+]C(C1CC1)C1CC1)[NH+](C)C 38088495 537823157 /nfs/dbraw/zinc/82/31/57/537823157.db2.gz POBMBASGYFFNMW-VIFPVBQESA-N 2 2 196.338 1.715 20 0 ADADLP CC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C 38088391 537823428 /nfs/dbraw/zinc/82/34/28/537823428.db2.gz VFYCMRFRHADHFZ-RKDXNWHRSA-N 2 2 158.289 1.325 20 0 ADADLP CC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C 38088392 537823811 /nfs/dbraw/zinc/82/38/11/537823811.db2.gz VFYCMRFRHADHFZ-DTWKUNHWSA-N 2 2 158.289 1.325 20 0 ADADLP CC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C 38088393 537824127 /nfs/dbraw/zinc/82/41/27/537824127.db2.gz VFYCMRFRHADHFZ-BDAKNGLRSA-N 2 2 158.289 1.325 20 0 ADADLP CCC(CC)[NH2+]C[C@@H](C)[NH+](C)C 38088872 537824281 /nfs/dbraw/zinc/82/42/81/537824281.db2.gz QVNZYAZJHPUHMS-SECBINFHSA-N 2 2 172.316 1.715 20 0 ADADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C 38088204 537824781 /nfs/dbraw/zinc/82/47/81/537824781.db2.gz LTDBYSFBBXYIFQ-HBNTYKKESA-N 2 2 186.343 1.961 20 0 ADADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C 38088206 537825150 /nfs/dbraw/zinc/82/51/50/537825150.db2.gz LTDBYSFBBXYIFQ-AXFHLTTASA-N 2 2 186.343 1.961 20 0 ADADLP CCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C 38088429 537825268 /nfs/dbraw/zinc/82/52/68/537825268.db2.gz RCYFYKBMIYXWOL-NXEZZACHSA-N 2 2 172.316 1.715 20 0 ADADLP CCC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C 38088430 537825846 /nfs/dbraw/zinc/82/58/46/537825846.db2.gz RCYFYKBMIYXWOL-VHSXEESVSA-N 2 2 172.316 1.715 20 0 ADADLP CC[C@@H](C)C[NH2+]C[C@@H](C)[NH+](C)C 38088157 537826085 /nfs/dbraw/zinc/82/60/85/537826085.db2.gz PBEKXOYZQAWYHK-NXEZZACHSA-N 2 2 172.316 1.572 20 0 ADADLP CCC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C 38088431 537826287 /nfs/dbraw/zinc/82/62/87/537826287.db2.gz RCYFYKBMIYXWOL-ZJUUUORDSA-N 2 2 172.316 1.715 20 0 ADADLP C[C@H](C[NH2+]C(C1CC1)C1CC1)[NH+](C)C 38088496 537826569 /nfs/dbraw/zinc/82/65/69/537826569.db2.gz POBMBASGYFFNMW-SECBINFHSA-N 2 2 196.338 1.715 20 0 ADADLP CCC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C 38088432 537826582 /nfs/dbraw/zinc/82/65/82/537826582.db2.gz RCYFYKBMIYXWOL-UWVGGRQHSA-N 2 2 172.316 1.715 20 0 ADADLP CC(C)C[NH2+]C[C@@H](C)[NH+](C)C 38088708 537826623 /nfs/dbraw/zinc/82/66/23/537826623.db2.gz IWWKVCAMUICLQA-SECBINFHSA-N 2 2 158.289 1.182 20 0 ADADLP CCC(CC)C[NH2+]C[C@@H](C)[NH+](C)C 38088720 537826755 /nfs/dbraw/zinc/82/67/55/537826755.db2.gz OYOLFAGMCUWMHB-SNVBAGLBSA-N 2 2 186.343 1.962 20 0 ADADLP CC(C)[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C 38088540 537826789 /nfs/dbraw/zinc/82/67/89/537826789.db2.gz CWXWBMBLDHHPNU-ZJUUUORDSA-N 2 2 172.316 1.571 20 0 ADADLP CC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C 38088394 537826967 /nfs/dbraw/zinc/82/69/67/537826967.db2.gz VFYCMRFRHADHFZ-IUCAKERBSA-N 2 2 158.289 1.325 20 0 ADADLP C[C@H](C[NH2+]C[C@H]1CC=CCC1)[NH+](C)C 38088058 537827158 /nfs/dbraw/zinc/82/71/58/537827158.db2.gz AUURJQLDXNMYGS-NEPJUHHUSA-N 2 2 196.338 1.882 20 0 ADADLP CC(C)[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C 38088539 537827376 /nfs/dbraw/zinc/82/73/76/537827376.db2.gz CWXWBMBLDHHPNU-NXEZZACHSA-N 2 2 172.316 1.571 20 0 ADADLP CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C(C)C 38087648 537827428 /nfs/dbraw/zinc/82/74/28/537827428.db2.gz XNUCSWNDFYTNSM-GHMZBOCLSA-N 2 2 186.343 1.961 20 0 ADADLP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+](C)C 38088060 537827470 /nfs/dbraw/zinc/82/74/70/537827470.db2.gz AUURJQLDXNMYGS-VXGBXAGGSA-N 2 2 196.338 1.882 20 0 ADADLP C[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 38088488 537827566 /nfs/dbraw/zinc/82/75/66/537827566.db2.gz JULXGMZPTXKQKB-BDAKNGLRSA-N 2 2 170.300 1.325 20 0 ADADLP CC[C@H](C)C[NH2+]C[C@@H](C)[NH+](C)C 38088158 537827708 /nfs/dbraw/zinc/82/77/08/537827708.db2.gz PBEKXOYZQAWYHK-VHSXEESVSA-N 2 2 172.316 1.572 20 0 ADADLP C[C@H](C[NH2+][C@H]1CCSC1)[NH+](C)C 38089001 537829070 /nfs/dbraw/zinc/82/90/70/537829070.db2.gz ILZXVXBLRDEAMN-BDAKNGLRSA-N 2 2 188.340 1.032 20 0 ADADLP C[C@H](C[NH2+][C@@H]1CCSC1)[NH+](C)C 38088999 537830584 /nfs/dbraw/zinc/83/05/84/537830584.db2.gz ILZXVXBLRDEAMN-RKDXNWHRSA-N 2 2 188.340 1.032 20 0 ADADLP Nc1c2c([nH+]c3ccccc13)CC[NH2+]C2 38974121 537830819 /nfs/dbraw/zinc/83/08/19/537830819.db2.gz RSPNTMZVBGWPLC-UHFFFAOYSA-N 2 2 199.257 1.463 20 0 ADADLP CC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 40725343 537833868 /nfs/dbraw/zinc/83/38/68/537833868.db2.gz ZEKUONOPYDWICQ-QWRGUYRKSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 40725343 537833872 /nfs/dbraw/zinc/83/38/72/537833872.db2.gz ZEKUONOPYDWICQ-QWRGUYRKSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H](c1ccccc1)[N@H+](C)CC[NH3+] 39318898 537834162 /nfs/dbraw/zinc/83/41/62/537834162.db2.gz BCHZKTHEJAJBEW-JTQLQIEISA-N 2 2 178.279 1.638 20 0 ADADLP C[C@@H](c1ccccc1)[N@@H+](C)CC[NH3+] 39318898 537834171 /nfs/dbraw/zinc/83/41/71/537834171.db2.gz BCHZKTHEJAJBEW-JTQLQIEISA-N 2 2 178.279 1.638 20 0 ADADLP CCc1cc(NCC[NH+](C)C)nc[nH+]1 40765003 537834905 /nfs/dbraw/zinc/83/49/05/537834905.db2.gz YRRLSLYWACCGSV-UHFFFAOYSA-N 2 2 194.282 1.013 20 0 ADADLP CC(C)C[NH2+]CC[NH+]1CCC(C)CC1 40771155 537835187 /nfs/dbraw/zinc/83/51/87/537835187.db2.gz QYBGQOQHDZLDIO-UHFFFAOYSA-N 2 2 198.354 1.964 20 0 ADADLP C[C@H](c1ccccc1)[N@H+](C)CC[NH3+] 39318899 537835988 /nfs/dbraw/zinc/83/59/88/537835988.db2.gz BCHZKTHEJAJBEW-SNVBAGLBSA-N 2 2 178.279 1.638 20 0 ADADLP C[C@H](c1ccccc1)[N@@H+](C)CC[NH3+] 39318899 537835994 /nfs/dbraw/zinc/83/59/94/537835994.db2.gz BCHZKTHEJAJBEW-SNVBAGLBSA-N 2 2 178.279 1.638 20 0 ADADLP CC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 40725341 537836352 /nfs/dbraw/zinc/83/63/52/537836352.db2.gz ZEKUONOPYDWICQ-WDEREUQCSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 40725341 537836357 /nfs/dbraw/zinc/83/63/57/537836357.db2.gz ZEKUONOPYDWICQ-WDEREUQCSA-N 2 2 184.327 1.716 20 0 ADADLP CCc1[nH+]ccn1CC[NH+](C)C 41392099 537838736 /nfs/dbraw/zinc/83/87/36/537838736.db2.gz JACNIJAOXYPFPW-UHFFFAOYSA-N 2 2 167.256 1.007 20 0 ADADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 41042086 537840248 /nfs/dbraw/zinc/84/02/48/537840248.db2.gz GISRLFRIBQVFJK-VIFPVBQESA-N 2 2 179.267 1.271 20 0 ADADLP CC[C@@H](C)C[NH2+]CCn1cc[nH+]c1 41050948 537840442 /nfs/dbraw/zinc/84/04/42/537840442.db2.gz NEFBBOOGWSLFMH-SNVBAGLBSA-N 2 2 181.283 1.519 20 0 ADADLP CC[C@H](C)C[NH2+]CCn1cc[nH+]c1 41050949 537840453 /nfs/dbraw/zinc/84/04/53/537840453.db2.gz NEFBBOOGWSLFMH-JTQLQIEISA-N 2 2 181.283 1.519 20 0 ADADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)C 41050966 537841469 /nfs/dbraw/zinc/84/14/69/537841469.db2.gz SLNNLBIKJJLGJL-LLVKDONJSA-N 2 2 195.310 1.907 20 0 ADADLP CC[C@@H](C)[C@H](C)[NH2+]CCn1cc[nH+]c1 41050944 537841898 /nfs/dbraw/zinc/84/18/98/537841898.db2.gz QGGOUZHSJWJUEI-MNOVXSKESA-N 2 2 195.310 1.907 20 0 ADADLP CC[C@H](C)[NH2+]CCn1cc[nH+]c1 41042005 537841917 /nfs/dbraw/zinc/84/19/17/537841917.db2.gz PVHKDVJILOYJTR-VIFPVBQESA-N 2 2 167.256 1.271 20 0 ADADLP CC[C@@H](C)[NH2+]CCn1cc[nH+]c1 41042004 537841949 /nfs/dbraw/zinc/84/19/49/537841949.db2.gz PVHKDVJILOYJTR-SECBINFHSA-N 2 2 167.256 1.271 20 0 ADADLP c1cn(CC[NH2+]C2CCCC2)c[nH+]1 41041860 537842004 /nfs/dbraw/zinc/84/20/04/537842004.db2.gz CQRBKJNGZYNZOO-UHFFFAOYSA-N 2 2 179.267 1.415 20 0 ADADLP CC(C)[C@H](C)[NH2+]CCn1cc[nH+]c1 41042044 537842259 /nfs/dbraw/zinc/84/22/59/537842259.db2.gz MDDGSNOXDICDEB-JTQLQIEISA-N 2 2 181.283 1.517 20 0 ADADLP CC[C@H](C)[C@@H](C)[NH2+]CCn1cc[nH+]c1 41050943 537842346 /nfs/dbraw/zinc/84/23/46/537842346.db2.gz QGGOUZHSJWJUEI-WDEREUQCSA-N 2 2 195.310 1.907 20 0 ADADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)C(C)C 41050965 537842382 /nfs/dbraw/zinc/84/23/82/537842382.db2.gz SLNNLBIKJJLGJL-NSHDSACASA-N 2 2 195.310 1.907 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CCn1cc[nH+]c1 41042043 537842968 /nfs/dbraw/zinc/84/29/68/537842968.db2.gz MDDGSNOXDICDEB-SNVBAGLBSA-N 2 2 181.283 1.517 20 0 ADADLP CC[C@H](C)[C@H](C)[NH2+]CCn1cc[nH+]c1 41050945 537843707 /nfs/dbraw/zinc/84/37/07/537843707.db2.gz QGGOUZHSJWJUEI-QWRGUYRKSA-N 2 2 195.310 1.907 20 0 ADADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44684456 537849819 /nfs/dbraw/zinc/84/98/19/537849819.db2.gz PEVCOJZVSGDMOY-WDEREUQCSA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)[NH2+]CCCCn1cc[nH+]c1 45105508 537850712 /nfs/dbraw/zinc/85/07/12/537850712.db2.gz SYPQEMUZDAMBJV-UHFFFAOYSA-N 2 2 181.283 1.661 20 0 ADADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44684456 537849831 /nfs/dbraw/zinc/84/98/31/537849831.db2.gz PEVCOJZVSGDMOY-WDEREUQCSA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44684453 537851306 /nfs/dbraw/zinc/85/13/06/537851306.db2.gz PEVCOJZVSGDMOY-GHMZBOCLSA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44684453 537851310 /nfs/dbraw/zinc/85/13/10/537851310.db2.gz PEVCOJZVSGDMOY-GHMZBOCLSA-N 2 2 196.338 1.857 20 0 ADADLP CC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44685392 537851409 /nfs/dbraw/zinc/85/14/09/537851409.db2.gz HSIUHLILPQHGFP-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44685392 537851415 /nfs/dbraw/zinc/85/14/15/537851415.db2.gz HSIUHLILPQHGFP-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44685019 537851695 /nfs/dbraw/zinc/85/16/95/537851695.db2.gz LDIRRQODWMXFND-NXEZZACHSA-N 2 2 182.311 1.611 20 0 ADADLP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44685019 537851700 /nfs/dbraw/zinc/85/17/00/537851700.db2.gz LDIRRQODWMXFND-NXEZZACHSA-N 2 2 182.311 1.611 20 0 ADADLP CC(C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44683989 537851736 /nfs/dbraw/zinc/85/17/36/537851736.db2.gz IPQIIWTXTXTKID-SNVBAGLBSA-N 2 2 182.311 1.469 20 0 ADADLP CC(C)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44683989 537851742 /nfs/dbraw/zinc/85/17/42/537851742.db2.gz IPQIIWTXTXTKID-SNVBAGLBSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H](C[NH2+]CCC(C)(C)C)[NH+](C)C 45107382 537851837 /nfs/dbraw/zinc/85/18/37/537851837.db2.gz RKMIHAZULWADCL-SNVBAGLBSA-N 2 2 186.343 1.962 20 0 ADADLP CC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44685396 537852349 /nfs/dbraw/zinc/85/23/49/537852349.db2.gz HSIUHLILPQHGFP-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H](C)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 44685396 537852356 /nfs/dbraw/zinc/85/23/56/537852356.db2.gz HSIUHLILPQHGFP-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44683990 537852371 /nfs/dbraw/zinc/85/23/71/537852371.db2.gz IPQIIWTXTXTKID-JTQLQIEISA-N 2 2 182.311 1.469 20 0 ADADLP CC(C)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 44683990 537852377 /nfs/dbraw/zinc/85/23/77/537852377.db2.gz IPQIIWTXTXTKID-JTQLQIEISA-N 2 2 182.311 1.469 20 0 ADADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44684460 537852749 /nfs/dbraw/zinc/85/27/49/537852749.db2.gz PEVCOJZVSGDMOY-QWRGUYRKSA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 44684460 537852760 /nfs/dbraw/zinc/85/27/60/537852760.db2.gz PEVCOJZVSGDMOY-QWRGUYRKSA-N 2 2 196.338 1.857 20 0 ADADLP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44685021 537853287 /nfs/dbraw/zinc/85/32/87/537853287.db2.gz LDIRRQODWMXFND-VHSXEESVSA-N 2 2 182.311 1.611 20 0 ADADLP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44685021 537853294 /nfs/dbraw/zinc/85/32/94/537853294.db2.gz LDIRRQODWMXFND-VHSXEESVSA-N 2 2 182.311 1.611 20 0 ADADLP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44685399 537853446 /nfs/dbraw/zinc/85/34/46/537853446.db2.gz HSIUHLILPQHGFP-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 44685399 537853449 /nfs/dbraw/zinc/85/34/49/537853449.db2.gz HSIUHLILPQHGFP-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44685023 537853539 /nfs/dbraw/zinc/85/35/39/537853539.db2.gz LDIRRQODWMXFND-ZJUUUORDSA-N 2 2 182.311 1.611 20 0 ADADLP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 44685023 537853543 /nfs/dbraw/zinc/85/35/43/537853543.db2.gz LDIRRQODWMXFND-ZJUUUORDSA-N 2 2 182.311 1.611 20 0 ADADLP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44685025 537853551 /nfs/dbraw/zinc/85/35/51/537853551.db2.gz LDIRRQODWMXFND-UWVGGRQHSA-N 2 2 182.311 1.611 20 0 ADADLP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 44685025 537853552 /nfs/dbraw/zinc/85/35/52/537853552.db2.gz LDIRRQODWMXFND-UWVGGRQHSA-N 2 2 182.311 1.611 20 0 ADADLP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44684458 537854155 /nfs/dbraw/zinc/85/41/55/537854155.db2.gz PEVCOJZVSGDMOY-MNOVXSKESA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 44684458 537854165 /nfs/dbraw/zinc/85/41/65/537854165.db2.gz PEVCOJZVSGDMOY-MNOVXSKESA-N 2 2 196.338 1.857 20 0 ADADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44685393 537854967 /nfs/dbraw/zinc/85/49/67/537854967.db2.gz HSIUHLILPQHGFP-WDEREUQCSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44685393 537854976 /nfs/dbraw/zinc/85/49/76/537854976.db2.gz HSIUHLILPQHGFP-WDEREUQCSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@@H+]1C[C@@H]([NH3+])C2(CCCCC2)C1 76596989 537873255 /nfs/dbraw/zinc/87/32/55/537873255.db2.gz NWONIFCNBNSQPR-SECBINFHSA-N 2 2 168.284 1.210 20 0 ADADLP C[N@H+]1C[C@@H]([NH3+])C2(CCCCC2)C1 76596989 537873273 /nfs/dbraw/zinc/87/32/73/537873273.db2.gz NWONIFCNBNSQPR-SECBINFHSA-N 2 2 168.284 1.210 20 0 ADADLP C[N@@H+]1C[C@H]([NH3+])C2(CCCCC2)C1 76596987 537873902 /nfs/dbraw/zinc/87/39/02/537873902.db2.gz NWONIFCNBNSQPR-VIFPVBQESA-N 2 2 168.284 1.210 20 0 ADADLP C[N@H+]1C[C@H]([NH3+])C2(CCCCC2)C1 76596987 537873909 /nfs/dbraw/zinc/87/39/09/537873909.db2.gz NWONIFCNBNSQPR-VIFPVBQESA-N 2 2 168.284 1.210 20 0 ADADLP CCCc1[nH+]c2n(c1C[NH3+])CCCC2 83982878 537906627 /nfs/dbraw/zinc/90/66/27/537906627.db2.gz WTUHMAIYCWZXOX-UHFFFAOYSA-N 2 2 193.294 1.631 20 0 ADADLP CCc1[nH+]c2n(c1C[NH3+])CCCC2 83964172 537908376 /nfs/dbraw/zinc/90/83/76/537908376.db2.gz LXXNQVWHIBNJIN-UHFFFAOYSA-N 2 2 179.267 1.241 20 0 ADADLP Cc1ccc(Cn2cc[nH+]c2N)c[nH+]1 126225951 537980941 /nfs/dbraw/zinc/98/09/41/537980941.db2.gz RLEMNDYCXXXSOM-UHFFFAOYSA-N 2 2 188.234 1.217 20 0 ADADLP CC1CC[NH+]([C@@H]2CCC[NH2+][C@@H]2C)CC1 129558464 537983092 /nfs/dbraw/zinc/98/30/92/537983092.db2.gz HQCARTJZYJORJH-VXGBXAGGSA-N 2 2 196.338 1.859 20 0 ADADLP CC1CC[NH+]([C@H]2CCC[NH2+][C@H]2C)CC1 129559142 537983392 /nfs/dbraw/zinc/98/33/92/537983392.db2.gz HQCARTJZYJORJH-RYUDHWBXSA-N 2 2 196.338 1.859 20 0 ADADLP CC1CC[NH+]([C@H]2CCC[NH2+][C@@H]2C)CC1 129558699 537983627 /nfs/dbraw/zinc/98/36/27/537983627.db2.gz HQCARTJZYJORJH-NEPJUHHUSA-N 2 2 196.338 1.859 20 0 ADADLP CC1CC[NH+]([C@@H]2CCC[NH2+][C@H]2C)CC1 129558901 537985599 /nfs/dbraw/zinc/98/55/99/537985599.db2.gz HQCARTJZYJORJH-NWDGAFQWSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]CCC(C)(C)C 159077117 538028538 /nfs/dbraw/zinc/02/85/38/538028538.db2.gz AJKRWPJXBWFKGX-JTQLQIEISA-N 2 2 186.343 1.962 20 0 ADADLP CC[C@@H](C)C[NH2+][C@@H](C)C[NH+](C)C 159068501 538028794 /nfs/dbraw/zinc/02/87/94/538028794.db2.gz IYDPOLVOCPEPRW-ZJUUUORDSA-N 2 2 172.316 1.572 20 0 ADADLP CC[C@H](C)C[NH2+][C@@H](C)C[NH+](C)C 159068630 538029072 /nfs/dbraw/zinc/02/90/72/538029072.db2.gz IYDPOLVOCPEPRW-UWVGGRQHSA-N 2 2 172.316 1.572 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)CCOC(C)(C)C 158934359 538029676 /nfs/dbraw/zinc/02/96/76/538029676.db2.gz IARZZBFJNCAXAG-VIFPVBQESA-N 2 2 188.315 1.081 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)CCOC(C)(C)C 158934359 538029682 /nfs/dbraw/zinc/02/96/82/538029682.db2.gz IARZZBFJNCAXAG-VIFPVBQESA-N 2 2 188.315 1.081 20 0 ADADLP CCC(CC)C[NH2+][C@@H](C)C[NH+](C)C 159071578 538029785 /nfs/dbraw/zinc/02/97/85/538029785.db2.gz BPGVJZVGOBSIQK-JTQLQIEISA-N 2 2 186.343 1.962 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CC=CCC1 159089288 538030424 /nfs/dbraw/zinc/03/04/24/538030424.db2.gz LKLOSZHQXPOYND-NWDGAFQWSA-N 2 2 196.338 1.882 20 0 ADADLP CC(C)CCC[NH2+][C@@H](C)C[NH+](C)C 159211492 538030563 /nfs/dbraw/zinc/03/05/63/538030563.db2.gz WJMWRSCMZXBWTD-NSHDSACASA-N 2 2 186.343 1.962 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CC=CCC1 159088996 538031838 /nfs/dbraw/zinc/03/18/38/538031838.db2.gz LKLOSZHQXPOYND-RYUDHWBXSA-N 2 2 196.338 1.882 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@@H]1C 162757008 538072315 /nfs/dbraw/zinc/07/23/15/538072315.db2.gz UGEDVOVJWGPPSN-LPEHRKFASA-N 2 2 170.300 1.182 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@H]1C 162757089 538072385 /nfs/dbraw/zinc/07/23/85/538072385.db2.gz UGEDVOVJWGPPSN-UTLUCORTSA-N 2 2 170.300 1.182 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@H]1C 162756909 538074001 /nfs/dbraw/zinc/07/40/01/538074001.db2.gz UGEDVOVJWGPPSN-KXUCPTDWSA-N 2 2 170.300 1.182 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@@H]1C 162757198 538075349 /nfs/dbraw/zinc/07/53/49/538075349.db2.gz UGEDVOVJWGPPSN-GUBZILKMSA-N 2 2 170.300 1.182 20 0 ADADLP CC(C)C[NH2+]CC1([NH+](C)C)CCC1 165179120 538148526 /nfs/dbraw/zinc/14/85/26/538148526.db2.gz ATOBGTLRMWLNPQ-UHFFFAOYSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 165172034 538149382 /nfs/dbraw/zinc/14/93/82/538149382.db2.gz UXLOYYNZPRKLKD-JTQLQIEISA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)CCC[NH2+]C[C@@H](C)[NH+](C)C 165226846 538150112 /nfs/dbraw/zinc/15/01/12/538150112.db2.gz PVTMTLNXBYECQE-LLVKDONJSA-N 2 2 186.343 1.962 20 0 ADADLP C[C@@H](C[NH2+][C@H](C)C1CC1)[N@H+](C)C1CC1 165296109 538150669 /nfs/dbraw/zinc/15/06/69/538150669.db2.gz TZKJBIKHMCTYAX-VHSXEESVSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@@H](C[NH2+][C@H](C)C1CC1)[N@@H+](C)C1CC1 165296109 538150678 /nfs/dbraw/zinc/15/06/78/538150678.db2.gz TZKJBIKHMCTYAX-VHSXEESVSA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)[NH2+]CC1([NH+](C)C)CCC1 165162884 538151222 /nfs/dbraw/zinc/15/12/22/538151222.db2.gz KMSNGQKSPGWOOO-UHFFFAOYSA-N 2 2 170.300 1.469 20 0 ADADLP C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 165295982 538151366 /nfs/dbraw/zinc/15/13/66/538151366.db2.gz TZKJBIKHMCTYAX-ZJUUUORDSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 165295982 538151368 /nfs/dbraw/zinc/15/13/68/538151368.db2.gz TZKJBIKHMCTYAX-ZJUUUORDSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 165296236 538151421 /nfs/dbraw/zinc/15/14/21/538151421.db2.gz TZKJBIKHMCTYAX-NXEZZACHSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 165296236 538151424 /nfs/dbraw/zinc/15/14/24/538151424.db2.gz TZKJBIKHMCTYAX-NXEZZACHSA-N 2 2 196.338 1.857 20 0 ADADLP C[NH+](C)C1(C[NH2+]CC2CC2)CCC1 165166933 538151718 /nfs/dbraw/zinc/15/17/18/538151718.db2.gz BAJGYZFXGIUYKU-UHFFFAOYSA-N 2 2 182.311 1.470 20 0 ADADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 165172102 538151768 /nfs/dbraw/zinc/15/17/68/538151768.db2.gz UXLOYYNZPRKLKD-SNVBAGLBSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC1 165295852 538152018 /nfs/dbraw/zinc/15/20/18/538152018.db2.gz TZKJBIKHMCTYAX-UWVGGRQHSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC1 165295852 538152024 /nfs/dbraw/zinc/15/20/24/538152024.db2.gz TZKJBIKHMCTYAX-UWVGGRQHSA-N 2 2 196.338 1.857 20 0 ADADLP CC1CC([NH2+]CCCn2cc[nH+]c2)C1 166612098 538160801 /nfs/dbraw/zinc/16/08/01/538160801.db2.gz IKMOZDRTTRBARB-UHFFFAOYSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C 166376823 538163482 /nfs/dbraw/zinc/16/34/82/538163482.db2.gz IJCXXLAOKMIHIZ-JTQLQIEISA-N 2 2 195.310 1.907 20 0 ADADLP C[C@H]1C[C@H]1C[NH2+]CCCn1cc[nH+]c1 166889284 538165777 /nfs/dbraw/zinc/16/57/77/538165777.db2.gz JUFWSOUPKPRVJJ-QWRGUYRKSA-N 2 2 193.294 1.519 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+]CCCn1cc[nH+]c1 166888946 538166515 /nfs/dbraw/zinc/16/65/15/538166515.db2.gz JUFWSOUPKPRVJJ-GHMZBOCLSA-N 2 2 193.294 1.519 20 0 ADADLP C[C@H]1C[C@@H]1C[NH2+]CCCn1cc[nH+]c1 166889056 538166616 /nfs/dbraw/zinc/16/66/16/538166616.db2.gz JUFWSOUPKPRVJJ-WDEREUQCSA-N 2 2 193.294 1.519 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+]CCCn1cc[nH+]c1 166889155 538166752 /nfs/dbraw/zinc/16/67/52/538166752.db2.gz JUFWSOUPKPRVJJ-MNOVXSKESA-N 2 2 193.294 1.519 20 0 ADADLP CC(C)[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 167340257 538167729 /nfs/dbraw/zinc/16/77/29/538167729.db2.gz IDHSUMFAYLHGQP-PWSUYJOCSA-N 2 2 198.354 1.961 20 0 ADADLP C[C@@H](C[NH2+][C@H](C)C(C)(C)C)[NH+](C)C 167338001 538168047 /nfs/dbraw/zinc/16/80/47/538168047.db2.gz KXNORCHCCBLSCI-VHSXEESVSA-N 2 2 186.343 1.961 20 0 ADADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)[NH+](C)C 167337784 538168338 /nfs/dbraw/zinc/16/83/38/538168338.db2.gz KXNORCHCCBLSCI-UWVGGRQHSA-N 2 2 186.343 1.961 20 0 ADADLP CC(C)[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CC1 167340481 538169046 /nfs/dbraw/zinc/16/90/46/538169046.db2.gz IDHSUMFAYLHGQP-JQWIXIFHSA-N 2 2 198.354 1.961 20 0 ADADLP CC(C)[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CC1 167340616 538169273 /nfs/dbraw/zinc/16/92/73/538169273.db2.gz IDHSUMFAYLHGQP-CMPLNLGQSA-N 2 2 198.354 1.961 20 0 ADADLP C[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C(C)(C)C 167337887 538169551 /nfs/dbraw/zinc/16/95/51/538169551.db2.gz KXNORCHCCBLSCI-ZJUUUORDSA-N 2 2 186.343 1.961 20 0 ADADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C)[NH+](C)C 167338116 538170619 /nfs/dbraw/zinc/17/06/19/538170619.db2.gz KXNORCHCCBLSCI-NXEZZACHSA-N 2 2 186.343 1.961 20 0 ADADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 167340373 538170722 /nfs/dbraw/zinc/17/07/22/538170722.db2.gz IDHSUMFAYLHGQP-ZYHUDNBSSA-N 2 2 198.354 1.961 20 0 ADADLP CC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 167474140 538171179 /nfs/dbraw/zinc/17/11/79/538171179.db2.gz IIKUAAIBIWPBJA-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 167474140 538171190 /nfs/dbraw/zinc/17/11/90/538171190.db2.gz IIKUAAIBIWPBJA-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 167474033 538172096 /nfs/dbraw/zinc/17/20/96/538172096.db2.gz IIKUAAIBIWPBJA-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 167474033 538172103 /nfs/dbraw/zinc/17/21/03/538172103.db2.gz IIKUAAIBIWPBJA-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 167473924 538172359 /nfs/dbraw/zinc/17/23/59/538172359.db2.gz IIKUAAIBIWPBJA-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 167473924 538172363 /nfs/dbraw/zinc/17/23/63/538172363.db2.gz IIKUAAIBIWPBJA-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 167473819 538173542 /nfs/dbraw/zinc/17/35/42/538173542.db2.gz IIKUAAIBIWPBJA-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 167473819 538173548 /nfs/dbraw/zinc/17/35/48/538173548.db2.gz IIKUAAIBIWPBJA-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@@H+]1CCn2c[nH+]cc2C1 198029643 538182650 /nfs/dbraw/zinc/18/26/50/538182650.db2.gz FUTZGJONRTZCMF-UHFFFAOYSA-N 2 2 165.240 1.109 20 0 ADADLP CCC[N@H+]1CCn2c[nH+]cc2C1 198029643 538182657 /nfs/dbraw/zinc/18/26/57/538182657.db2.gz FUTZGJONRTZCMF-UHFFFAOYSA-N 2 2 165.240 1.109 20 0 ADADLP CC(C)[N@H+](C)CCCn1cc[nH+]c1 201327257 538185067 /nfs/dbraw/zinc/18/50/67/538185067.db2.gz UPPJTWZSNNVEFI-UHFFFAOYSA-N 2 2 181.283 1.613 20 0 ADADLP CC(C)[N@@H+](C)CCCn1cc[nH+]c1 201327257 538185072 /nfs/dbraw/zinc/18/50/72/538185072.db2.gz UPPJTWZSNNVEFI-UHFFFAOYSA-N 2 2 181.283 1.613 20 0 ADADLP C[N@@H+](C/C=C\c1ccccc1)CC[NH3+] 212249873 538188810 /nfs/dbraw/zinc/18/88/10/538188810.db2.gz CWOYYGYJSOVKOC-YVMONPNESA-N 2 2 190.290 1.590 20 0 ADADLP C[N@H+](C/C=C\c1ccccc1)CC[NH3+] 212249873 538188821 /nfs/dbraw/zinc/18/88/21/538188821.db2.gz CWOYYGYJSOVKOC-YVMONPNESA-N 2 2 190.290 1.590 20 0 ADADLP CC1CC([NH2+]CC[NH+]2CCCC2)C1 231787138 538219330 /nfs/dbraw/zinc/21/93/30/538219330.db2.gz DVJFNTCMTKDJCJ-UHFFFAOYSA-N 2 2 182.311 1.470 20 0 ADADLP CC1CC([NH2+]CC[N@@H+](C)C(C)C)C1 231787983 538219876 /nfs/dbraw/zinc/21/98/76/538219876.db2.gz DXBDHZSPSOHHHO-UHFFFAOYSA-N 2 2 184.327 1.715 20 0 ADADLP CC1CC([NH2+]CC[N@H+](C)C(C)C)C1 231787983 538219879 /nfs/dbraw/zinc/21/98/79/538219879.db2.gz DXBDHZSPSOHHHO-UHFFFAOYSA-N 2 2 184.327 1.715 20 0 ADADLP CC1CC([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 231788139 538220042 /nfs/dbraw/zinc/22/00/42/538220042.db2.gz PNMKCLDLIXKQJZ-HSOILSAZSA-N 2 2 196.338 1.857 20 0 ADADLP CC1CC([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 231788139 538220048 /nfs/dbraw/zinc/22/00/48/538220048.db2.gz PNMKCLDLIXKQJZ-HSOILSAZSA-N 2 2 196.338 1.857 20 0 ADADLP CC1CC([NH2+][C@H](C)Cn2cc[nH+]c2)C1 231787482 538220539 /nfs/dbraw/zinc/22/05/39/538220539.db2.gz ZUMDPKVEEAZFDR-HSOILSAZSA-N 2 2 193.294 1.660 20 0 ADADLP CC1CC([NH2+]CC(C)(C)[NH+](C)C)C1 231787025 538220714 /nfs/dbraw/zinc/22/07/14/538220714.db2.gz ZKLYJTKBOZBKAK-UHFFFAOYSA-N 2 2 184.327 1.715 20 0 ADADLP CC[N@H+](CC[NH2+]C1CC(C)C1)C1CC1 231787985 538220783 /nfs/dbraw/zinc/22/07/83/538220783.db2.gz XTLCEVMBTKEASQ-UHFFFAOYSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+](CC[NH2+]C1CC(C)C1)C1CC1 231787985 538220787 /nfs/dbraw/zinc/22/07/87/538220787.db2.gz XTLCEVMBTKEASQ-UHFFFAOYSA-N 2 2 196.338 1.859 20 0 ADADLP CC1CC([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 231788136 538221618 /nfs/dbraw/zinc/22/16/18/538221618.db2.gz PNMKCLDLIXKQJZ-YVNMAJEFSA-N 2 2 196.338 1.857 20 0 ADADLP CC1CC([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 231788136 538221624 /nfs/dbraw/zinc/22/16/24/538221624.db2.gz PNMKCLDLIXKQJZ-YVNMAJEFSA-N 2 2 196.338 1.857 20 0 ADADLP CC1CC([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 231787479 538221691 /nfs/dbraw/zinc/22/16/91/538221691.db2.gz ZUMDPKVEEAZFDR-YVNMAJEFSA-N 2 2 193.294 1.660 20 0 ADADLP CC1CC([NH2+]C[C@@H](C)[NH+](C)C)C1 231788108 538222257 /nfs/dbraw/zinc/22/22/57/538222257.db2.gz WMJASCQOQVEDCE-HWOCKDDLSA-N 2 2 170.300 1.325 20 0 ADADLP CC1CC([NH2+][C@@H](C)C[NH+](C)C)C1 232786429 538226747 /nfs/dbraw/zinc/22/67/47/538226747.db2.gz VUSWWEZNNRLWJL-KYHHOPLUSA-N 2 2 170.300 1.325 20 0 ADADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH+](C)C 235301810 538241617 /nfs/dbraw/zinc/24/16/17/538241617.db2.gz SPWQZHKWHKFMKD-GHMZBOCLSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH+](C)C 235293334 538241808 /nfs/dbraw/zinc/24/18/08/538241808.db2.gz SPWQZHKWHKFMKD-MNOVXSKESA-N 2 2 198.354 1.962 20 0 ADADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH+](C)C 235576008 538245818 /nfs/dbraw/zinc/24/58/18/538245818.db2.gz SPWQZHKWHKFMKD-WDEREUQCSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH+](C)C 235589283 538248238 /nfs/dbraw/zinc/24/82/38/538248238.db2.gz SPWQZHKWHKFMKD-QWRGUYRKSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](C)C2CC2)C1 251548046 538262409 /nfs/dbraw/zinc/26/24/09/538262409.db2.gz BXMPPFCROBBNOX-WDEREUQCSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1CC[N@H+](CC[NH2+][C@H](C)C2CC2)C1 251548046 538262418 /nfs/dbraw/zinc/26/24/18/538262418.db2.gz BXMPPFCROBBNOX-WDEREUQCSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1C[C@@H](C)C[C@H]([NH2+]CC[NH+](C)C)C1 251782967 538263429 /nfs/dbraw/zinc/26/34/29/538263429.db2.gz FPKMTMUBXIHALO-GDNZZTSVSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+](C)C)C[C@H]1C 251884082 538265136 /nfs/dbraw/zinc/26/51/36/538265136.db2.gz RJKBMDFNZCSSCV-UTUOFQBUSA-N 2 2 198.354 1.962 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 251636462 538265151 /nfs/dbraw/zinc/26/51/51/538265151.db2.gz ITHGWFQIEXWRPC-NWDGAFQWSA-N 2 2 198.354 1.962 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 251636462 538265154 /nfs/dbraw/zinc/26/51/54/538265154.db2.gz ITHGWFQIEXWRPC-NWDGAFQWSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+](C)C)C[C@H]1C 251884079 538265965 /nfs/dbraw/zinc/26/59/65/538265965.db2.gz RJKBMDFNZCSSCV-IJLUTSLNSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@H]1[C@H](C)CCC[C@H]1[NH2+]CC[NH+](C)C 252179301 538267106 /nfs/dbraw/zinc/26/71/06/538267106.db2.gz PRGSCHYKJQSGFX-GRYCIOLGSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@@H]1[C@@H]([NH2+]CC[NH+](C)C)CCC[C@H]1C 252179302 538268086 /nfs/dbraw/zinc/26/80/86/538268086.db2.gz PRGSCHYKJQSGFX-WOPDTQHZSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 252712361 538270238 /nfs/dbraw/zinc/27/02/38/538270238.db2.gz MFLYAYFSLFNZTO-VWYCJHECSA-N 2 2 194.322 1.469 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 252712361 538270245 /nfs/dbraw/zinc/27/02/45/538270245.db2.gz MFLYAYFSLFNZTO-VWYCJHECSA-N 2 2 194.322 1.469 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 252712360 538272671 /nfs/dbraw/zinc/27/26/71/538272671.db2.gz MFLYAYFSLFNZTO-MXWKQRLJSA-N 2 2 194.322 1.469 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 252712360 538272676 /nfs/dbraw/zinc/27/26/76/538272676.db2.gz MFLYAYFSLFNZTO-MXWKQRLJSA-N 2 2 194.322 1.469 20 0 ADADLP C[NH+](C)CC[NH2+][C@H]1CCC1(C)C 379317478 538341405 /nfs/dbraw/zinc/34/14/05/538341405.db2.gz GAPCQKKJKJLXOK-VIFPVBQESA-N 2 2 170.300 1.326 20 0 ADADLP C[NH+](C)CC[NH2+][C@@H]1CCC1(C)C 379317477 538342723 /nfs/dbraw/zinc/34/27/23/538342723.db2.gz GAPCQKKJKJLXOK-SECBINFHSA-N 2 2 170.300 1.326 20 0 ADADLP CC[NH+]1CCC([NH2+]CCF)CC1 379331497 538352148 /nfs/dbraw/zinc/35/21/48/538352148.db2.gz DIFNIWJIZGJMDV-UHFFFAOYSA-N 2 2 174.263 1.030 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC1(C)C 379349940 538356529 /nfs/dbraw/zinc/35/65/29/538356529.db2.gz QZCYWAIPMMXAMQ-VHSXEESVSA-N 2 2 184.327 1.715 20 0 ADADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 379346718 538357819 /nfs/dbraw/zinc/35/78/19/538357819.db2.gz XQGFHIFCJJENNK-HBNTYKKESA-N 2 2 182.311 1.326 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC1(C)C 379349939 538358347 /nfs/dbraw/zinc/35/83/47/538358347.db2.gz QZCYWAIPMMXAMQ-UWVGGRQHSA-N 2 2 184.327 1.715 20 0 ADADLP C[NH+](C)C(C)(C)C[NH2+]CC1(C)CC1 379403380 538398315 /nfs/dbraw/zinc/39/83/15/538398315.db2.gz PFMZRPGEWDRJEO-UHFFFAOYSA-N 2 2 184.327 1.716 20 0 ADADLP C[NH+](C)CC1([NH2+]CC2CC2)CCC1 379402755 538398488 /nfs/dbraw/zinc/39/84/88/538398488.db2.gz NSEAXEVKYHJHTO-UHFFFAOYSA-N 2 2 182.311 1.470 20 0 ADADLP C[C@H](CCC1CC1)[NH2+]CC[NH+](C)C 379410628 538404006 /nfs/dbraw/zinc/40/40/06/538404006.db2.gz GLBNCVQQCFRLND-SNVBAGLBSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H](CCC1CC1)[NH2+]CC[NH+](C)C 379410627 538405067 /nfs/dbraw/zinc/40/50/67/538405067.db2.gz GLBNCVQQCFRLND-JTQLQIEISA-N 2 2 184.327 1.716 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(C)CC1 379616450 538423314 /nfs/dbraw/zinc/42/33/14/538423314.db2.gz ZHWWACVWVPZCFU-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C 379596353 538419446 /nfs/dbraw/zinc/41/94/46/538419446.db2.gz FPAXFHDPKSKGNW-IJLUTSLNSA-N 2 2 196.338 1.716 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C 379596353 538419451 /nfs/dbraw/zinc/41/94/51/538419451.db2.gz FPAXFHDPKSKGNW-IJLUTSLNSA-N 2 2 196.338 1.716 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C 379596354 538419534 /nfs/dbraw/zinc/41/95/34/538419534.db2.gz FPAXFHDPKSKGNW-QJPTWQEYSA-N 2 2 196.338 1.716 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C 379596354 538419537 /nfs/dbraw/zinc/41/95/37/538419537.db2.gz FPAXFHDPKSKGNW-QJPTWQEYSA-N 2 2 196.338 1.716 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1C 379596355 538419854 /nfs/dbraw/zinc/41/98/54/538419854.db2.gz FPAXFHDPKSKGNW-SDDRHHMPSA-N 2 2 196.338 1.716 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1C 379596355 538419858 /nfs/dbraw/zinc/41/98/58/538419858.db2.gz FPAXFHDPKSKGNW-SDDRHHMPSA-N 2 2 196.338 1.716 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C 379596352 538420500 /nfs/dbraw/zinc/42/05/00/538420500.db2.gz FPAXFHDPKSKGNW-GRYCIOLGSA-N 2 2 196.338 1.716 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C 379596352 538420504 /nfs/dbraw/zinc/42/05/04/538420504.db2.gz FPAXFHDPKSKGNW-GRYCIOLGSA-N 2 2 196.338 1.716 20 0 ADADLP CC(C)[C@H]1CCC[C@H]1[NH2+]CC[NH+](C)C 379603022 538421316 /nfs/dbraw/zinc/42/13/16/538421316.db2.gz NHIYUYBBCLUYBL-VXGBXAGGSA-N 2 2 198.354 1.962 20 0 ADADLP CC[C@@H]1CC[C@@H]1[NH2+]CCn1cc[nH+]c1 379657268 538425697 /nfs/dbraw/zinc/42/56/97/538425697.db2.gz MIOPVXKSASGYKV-MNOVXSKESA-N 2 2 193.294 1.661 20 0 ADADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[NH+](C)C 379603020 538421947 /nfs/dbraw/zinc/42/19/47/538421947.db2.gz NHIYUYBBCLUYBL-NWDGAFQWSA-N 2 2 198.354 1.962 20 0 ADADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC[NH+](C)C 379603017 538422251 /nfs/dbraw/zinc/42/22/51/538422251.db2.gz NHIYUYBBCLUYBL-NEPJUHHUSA-N 2 2 198.354 1.962 20 0 ADADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[NH+](C)C 379603021 538422454 /nfs/dbraw/zinc/42/24/54/538422454.db2.gz NHIYUYBBCLUYBL-RYUDHWBXSA-N 2 2 198.354 1.962 20 0 ADADLP CC1(C)CC([NH2+]CCn2cc[nH+]c2)C1 379617553 538423239 /nfs/dbraw/zinc/42/32/39/538423239.db2.gz ALNAJDQCCYDUCT-UHFFFAOYSA-N 2 2 193.294 1.661 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC1(C)CC1 379616450 538423317 /nfs/dbraw/zinc/42/33/17/538423317.db2.gz ZHWWACVWVPZCFU-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC1(C)CC1 379616452 538423755 /nfs/dbraw/zinc/42/37/55/538423755.db2.gz ZHWWACVWVPZCFU-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP CC[N@H+]1CCC[C@H]1C[NH2+]CC1(C)CC1 379616452 538423759 /nfs/dbraw/zinc/42/37/59/538423759.db2.gz ZHWWACVWVPZCFU-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP CC1(C)CC([NH2+]CC[NH+]2CCCC2)C1 379641899 538424905 /nfs/dbraw/zinc/42/49/05/538424905.db2.gz VQCMHJAAWWEINX-UHFFFAOYSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H](C[NH2+]C1CC2(CCC2)C1)[NH+](C)C 379639935 538425410 /nfs/dbraw/zinc/42/54/10/538425410.db2.gz UGMASINLXHCCSW-SNVBAGLBSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1CC[C@H]1[NH2+]CCn1cc[nH+]c1 379657267 538426637 /nfs/dbraw/zinc/42/66/37/538426637.db2.gz MIOPVXKSASGYKV-GHMZBOCLSA-N 2 2 193.294 1.661 20 0 ADADLP CC[C@H]1CC[C@H]1[NH2+]CCn1cc[nH+]c1 379657270 538426878 /nfs/dbraw/zinc/42/68/78/538426878.db2.gz MIOPVXKSASGYKV-WDEREUQCSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC12CCC2 379661426 538426941 /nfs/dbraw/zinc/42/69/41/538426941.db2.gz QCIWHAQQFODFGF-WDEREUQCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC12CCC2 379661425 538426951 /nfs/dbraw/zinc/42/69/51/538426951.db2.gz QCIWHAQQFODFGF-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]1CC[C@@H]1[NH2+]CCn1cc[nH+]c1 379657269 538427003 /nfs/dbraw/zinc/42/70/03/538427003.db2.gz MIOPVXKSASGYKV-QWRGUYRKSA-N 2 2 193.294 1.661 20 0 ADADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 382334651 538428984 /nfs/dbraw/zinc/42/89/84/538428984.db2.gz XQGFHIFCJJENNK-AXFHLTTASA-N 2 2 182.311 1.326 20 0 ADADLP C[C@H]1C[C@@H]1C[NH2+]CCn1cc[nH+]c1 388588580 538433650 /nfs/dbraw/zinc/43/36/50/538433650.db2.gz JXFAODYVAOMNFB-VHSXEESVSA-N 2 2 179.267 1.129 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+]CCn1cc[nH+]c1 388588581 538433761 /nfs/dbraw/zinc/43/37/61/538433761.db2.gz JXFAODYVAOMNFB-ZJUUUORDSA-N 2 2 179.267 1.129 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+]CCn1cc[nH+]c1 388588230 538434162 /nfs/dbraw/zinc/43/41/62/538434162.db2.gz JXFAODYVAOMNFB-NXEZZACHSA-N 2 2 179.267 1.129 20 0 ADADLP C[NH+](C)CC[NH2+][C@@H]1CCC12CCC2 388604968 538434557 /nfs/dbraw/zinc/43/45/57/538434557.db2.gz UWMBTTFCRJMMNW-SNVBAGLBSA-N 2 2 182.311 1.470 20 0 ADADLP C[NH+](C)CC[NH2+][C@H]1CCC12CCC2 388604965 538434821 /nfs/dbraw/zinc/43/48/21/538434821.db2.gz UWMBTTFCRJMMNW-JTQLQIEISA-N 2 2 182.311 1.470 20 0 ADADLP Cc1ccc(CCC[NH2+]CCF)c[nH+]1 388822531 538437711 /nfs/dbraw/zinc/43/77/11/538437711.db2.gz KLRGDFPFEPNWSN-UHFFFAOYSA-N 2 2 196.269 1.882 20 0 ADADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[NH+](C)C 388910654 538438741 /nfs/dbraw/zinc/43/87/41/538438741.db2.gz PHLBSFOXVUDPOX-HBNTYKKESA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@H]1CC[C@H]1[NH2+][C@@H](C)C[NH+](C)C 388910652 538438950 /nfs/dbraw/zinc/43/89/50/538438950.db2.gz PHLBSFOXVUDPOX-GARJFASQSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@H]1C[C@@H]1C[NH2+]CC1([NH+](C)C)CCC1 389261544 538439599 /nfs/dbraw/zinc/43/95/99/538439599.db2.gz GUJAGGMTHBHING-WDEREUQCSA-N 2 2 196.338 1.716 20 0 ADADLP CC1(C[NH2+]CC[NH+]2CCCCC2)CC1 389257247 538440039 /nfs/dbraw/zinc/44/00/39/538440039.db2.gz FFHKXBDCFHQRKJ-UHFFFAOYSA-N 2 2 196.338 1.862 20 0 ADADLP CC1(C)CC[C@@H]1[NH2+]CC[NH+]1CCCC1 389218691 538439470 /nfs/dbraw/zinc/43/94/70/538439470.db2.gz LYJCTIRGYYCQAK-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP CC1(C)CC[C@H]1[NH2+]CC[NH+]1CCCC1 389218689 538439531 /nfs/dbraw/zinc/43/95/31/538439531.db2.gz LYJCTIRGYYCQAK-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP CC1CC([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 389248780 538439698 /nfs/dbraw/zinc/43/96/98/538439698.db2.gz CQIAPVLSLXYRTD-VOMCLLRMSA-N 2 2 196.338 1.716 20 0 ADADLP CC1CC([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 389248780 538439699 /nfs/dbraw/zinc/43/96/99/538439699.db2.gz CQIAPVLSLXYRTD-VOMCLLRMSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+]CC1([NH+](C)C)CCC1 389261541 538439834 /nfs/dbraw/zinc/43/98/34/538439834.db2.gz GUJAGGMTHBHING-GHMZBOCLSA-N 2 2 196.338 1.716 20 0 ADADLP CC1CC([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 389248778 538439836 /nfs/dbraw/zinc/43/98/36/538439836.db2.gz CQIAPVLSLXYRTD-UNXYVOJBSA-N 2 2 196.338 1.716 20 0 ADADLP CC1CC([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 389248778 538439837 /nfs/dbraw/zinc/43/98/37/538439837.db2.gz CQIAPVLSLXYRTD-UNXYVOJBSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1C[C@H]1C[NH2+]CC1([NH+](C)C)CCC1 389261543 538439847 /nfs/dbraw/zinc/43/98/47/538439847.db2.gz GUJAGGMTHBHING-QWRGUYRKSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+]CC1([NH+](C)C)CCC1 389261542 538440005 /nfs/dbraw/zinc/44/00/05/538440005.db2.gz GUJAGGMTHBHING-MNOVXSKESA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+]C1(C[NH+](C)C)CCC1 389292854 538440223 /nfs/dbraw/zinc/44/02/23/538440223.db2.gz DFWOQCFSEZUZPX-GHMZBOCLSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1C[C@@H]1C[NH2+]C1(C[NH+](C)C)CCC1 389292859 538440514 /nfs/dbraw/zinc/44/05/14/538440514.db2.gz DFWOQCFSEZUZPX-WDEREUQCSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+]C1(C[NH+](C)C)CCC1 389292855 538440545 /nfs/dbraw/zinc/44/05/45/538440545.db2.gz DFWOQCFSEZUZPX-MNOVXSKESA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1C[C@H]1C[NH2+]C1(C[NH+](C)C)CCC1 389292857 538440598 /nfs/dbraw/zinc/44/05/98/538440598.db2.gz DFWOQCFSEZUZPX-QWRGUYRKSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1CC[N@H+](CC[NH2+]CC2(C)CC2)C1 389355936 538440937 /nfs/dbraw/zinc/44/09/37/538440937.db2.gz QKGHEFFZDVGKAJ-LLVKDONJSA-N 2 2 196.338 1.718 20 0 ADADLP C[C@@H]1CC[N@@H+](CC[NH2+]CC2(C)CC2)C1 389355936 538440938 /nfs/dbraw/zinc/44/09/38/538440938.db2.gz QKGHEFFZDVGKAJ-LLVKDONJSA-N 2 2 196.338 1.718 20 0 ADADLP C[C@H]1CC[N@H+](CC[NH2+]CC2(C)CC2)C1 389355937 538440976 /nfs/dbraw/zinc/44/09/76/538440976.db2.gz QKGHEFFZDVGKAJ-NSHDSACASA-N 2 2 196.338 1.718 20 0 ADADLP C[C@H]1CC[N@@H+](CC[NH2+]CC2(C)CC2)C1 389355937 538440977 /nfs/dbraw/zinc/44/09/77/538440977.db2.gz QKGHEFFZDVGKAJ-NSHDSACASA-N 2 2 196.338 1.718 20 0 ADADLP CC[C@H](C)[C@H](C)[NH2+]CC[NH+](C)C 20083691 541301063 /nfs/dbraw/zinc/30/10/63/541301063.db2.gz VBTGVFBBZJKYGX-UWVGGRQHSA-N 2 2 172.316 1.572 20 0 ADADLP CC[C@@H](C)[C@H](C)[NH2+]CC[NH+](C)C 20083687 541301170 /nfs/dbraw/zinc/30/11/70/541301170.db2.gz VBTGVFBBZJKYGX-ZJUUUORDSA-N 2 2 172.316 1.572 20 0 ADADLP CC[C@@H](C)[NH2+]CC[NH+](CC)CC 19919639 541301205 /nfs/dbraw/zinc/30/12/05/541301205.db2.gz JPFPLKZYHRGHTD-SNVBAGLBSA-N 2 2 172.316 1.716 20 0 ADADLP C[C@@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1C 20055159 541301243 /nfs/dbraw/zinc/30/12/43/541301243.db2.gz PRGSCHYKJQSGFX-IJLUTSLNSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@@H]1CCC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C 20055163 541301261 /nfs/dbraw/zinc/30/12/61/541301261.db2.gz PRGSCHYKJQSGFX-UTUOFQBUSA-N 2 2 198.354 1.962 20 0 ADADLP CC[C@H](C)[NH2+]CC[NH+](CC)CC 19919641 541301324 /nfs/dbraw/zinc/30/13/24/541301324.db2.gz JPFPLKZYHRGHTD-JTQLQIEISA-N 2 2 172.316 1.716 20 0 ADADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[NH+](C)C 20083681 541301396 /nfs/dbraw/zinc/30/13/96/541301396.db2.gz VBTGVFBBZJKYGX-NXEZZACHSA-N 2 2 172.316 1.572 20 0 ADADLP CC[C@H](C)[C@@H](C)[NH2+]CC[NH+](C)C 20083684 541301603 /nfs/dbraw/zinc/30/16/03/541301603.db2.gz VBTGVFBBZJKYGX-VHSXEESVSA-N 2 2 172.316 1.572 20 0 ADADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccco1 19958606 541301643 /nfs/dbraw/zinc/30/16/43/541301643.db2.gz ZWDZGUFOKKSLCT-JTQLQIEISA-N 2 2 196.294 1.882 20 0 ADADLP CC[NH+](CC)CCCn1cc[nH+]c1 168105598 541313116 /nfs/dbraw/zinc/31/31/16/541313116.db2.gz QIUDVRROPHZPHM-UHFFFAOYSA-N 2 2 181.283 1.615 20 0 ADADLP CC(C)[C@@H]([NH2+]CC[NH+](C)C)C1CC1 202641150 541315189 /nfs/dbraw/zinc/31/51/89/541315189.db2.gz RGDZSSLJHYGJTP-LLVKDONJSA-N 2 2 184.327 1.572 20 0 ADADLP CC(C)[C@H]([NH2+]CC[NH+](C)C)C1CC1 202641129 541315334 /nfs/dbraw/zinc/31/53/34/541315334.db2.gz RGDZSSLJHYGJTP-NSHDSACASA-N 2 2 184.327 1.572 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(C)(C)C1 379372579 541338190 /nfs/dbraw/zinc/33/81/90/541338190.db2.gz JQHSHLCNVQLZQZ-VIFPVBQESA-N 2 2 184.327 1.715 20 0 ADADLP Cc1c[nH+]ccc1Cn1cc[nH+]c1N 235817749 572005961 /nfs/dbraw/zinc/00/59/61/572005961.db2.gz ZZXHYPXMUOIZCK-UHFFFAOYSA-N 2 2 188.234 1.217 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1F 235096723 572062487 /nfs/dbraw/zinc/06/24/87/572062487.db2.gz BSEPEVDHFOYQGF-DTWKUNHWSA-N 2 2 196.269 1.824 20 0 ADADLP C[NH2+]CC[N@H+](C)CCCC1CCC1 688365358 757339265 /nfs/dbraw/zinc/33/92/65/757339265.db2.gz JKTZFEHGUSKOJQ-UHFFFAOYSA-N 2 2 184.327 1.718 20 0 ADADLP C[NH2+]CC[N@@H+](C)CCCC1CCC1 688365358 757339278 /nfs/dbraw/zinc/33/92/78/757339278.db2.gz JKTZFEHGUSKOJQ-UHFFFAOYSA-N 2 2 184.327 1.718 20 0 ADADLP C[NH2+]CC[N@H+](C)[C@H](C)c1ccccc1 69800929 572140913 /nfs/dbraw/zinc/14/09/13/572140913.db2.gz IRQKETOLUIASQX-LLVKDONJSA-N 2 2 192.306 1.899 20 0 ADADLP C[NH2+]CC[N@@H+](C)[C@H](C)c1ccccc1 69800929 572140916 /nfs/dbraw/zinc/14/09/16/572140916.db2.gz IRQKETOLUIASQX-LLVKDONJSA-N 2 2 192.306 1.899 20 0 ADADLP C[C@@H](CC[NH2+]Cc1ccco1)[NH+](C)C 697861395 757434605 /nfs/dbraw/zinc/43/46/05/757434605.db2.gz ZDVPGFZJBCNJTK-JTQLQIEISA-N 2 2 196.294 1.709 20 0 ADADLP C[C@H](CC[NH2+]Cc1ccco1)[NH+](C)C 697861399 757438661 /nfs/dbraw/zinc/43/86/61/757438661.db2.gz ZDVPGFZJBCNJTK-SNVBAGLBSA-N 2 2 196.294 1.709 20 0 ADADLP CC1CC(C[NH2+]C(C)(C)C[NH+](C)C)C1 698080359 757441715 /nfs/dbraw/zinc/44/17/15/757441715.db2.gz JLBUAFDMMQRSCD-UHFFFAOYSA-N 2 2 198.354 1.962 20 0 ADADLP CC[C@@H]1C[C@H]1C[NH2+]C(C)(C)C[NH+](C)C 698082513 757442865 /nfs/dbraw/zinc/44/28/65/757442865.db2.gz GUCAWRDJDYGBRB-MNOVXSKESA-N 2 2 198.354 1.962 20 0 ADADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1C=CCC1 698285689 757455930 /nfs/dbraw/zinc/45/59/30/757455930.db2.gz XERZSZBKRWJHHN-SNVBAGLBSA-N 2 2 182.311 1.683 20 0 ADADLP CC(C)(C)[NH2+]CC[NH2+][C@H]1C=CCC1 698285688 757457906 /nfs/dbraw/zinc/45/79/06/757457906.db2.gz XERZSZBKRWJHHN-JTQLQIEISA-N 2 2 182.311 1.683 20 0 ADADLP Cc1cccc([C@@H]([NH3+])C[NH3+])c1Cl 72200240 572639408 /nfs/dbraw/zinc/63/94/08/572639408.db2.gz IMRNLUKFCARPHK-QMMMGPOBSA-N 2 2 184.670 1.607 20 0 ADADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccon2)C1 88052849 573054986 /nfs/dbraw/zinc/05/49/86/573054986.db2.gz PVBLZAJGOSYSAS-DTWKUNHWSA-N 2 2 195.266 1.034 20 0 ADADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ncc[nH]1 1119698887 757802506 /nfs/dbraw/zinc/80/25/06/757802506.db2.gz GSOJGGVGDZAMTJ-IUCAKERBSA-N 2 2 196.298 1.058 20 0 ADADLP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ncc[nH]1 1119698888 757802934 /nfs/dbraw/zinc/80/29/34/757802934.db2.gz GSOJGGVGDZAMTJ-RKDXNWHRSA-N 2 2 196.298 1.058 20 0 ADADLP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ncc[nH]1 1119698885 757803156 /nfs/dbraw/zinc/80/31/56/757803156.db2.gz GSOJGGVGDZAMTJ-BDAKNGLRSA-N 2 2 196.298 1.058 20 0 ADADLP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ncc[nH]1 1119698886 757803547 /nfs/dbraw/zinc/80/35/47/757803547.db2.gz GSOJGGVGDZAMTJ-DTWKUNHWSA-N 2 2 196.298 1.058 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccncc1 308521394 573240675 /nfs/dbraw/zinc/24/06/75/573240675.db2.gz XZWXKSCYXWYVSG-UWVGGRQHSA-N 2 2 193.294 1.422 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccncc1 308521394 573240679 /nfs/dbraw/zinc/24/06/79/573240679.db2.gz XZWXKSCYXWYVSG-UWVGGRQHSA-N 2 2 193.294 1.422 20 0 ADADLP C[C@@H](c1ccncc1)[N@@H+](C)C[C@@H](C)[NH3+] 308521396 573240776 /nfs/dbraw/zinc/24/07/76/573240776.db2.gz XZWXKSCYXWYVSG-ZJUUUORDSA-N 2 2 193.294 1.422 20 0 ADADLP C[C@@H](c1ccncc1)[N@H+](C)C[C@@H](C)[NH3+] 308521396 573240779 /nfs/dbraw/zinc/24/07/79/573240779.db2.gz XZWXKSCYXWYVSG-ZJUUUORDSA-N 2 2 193.294 1.422 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccncc1 308521393 573241995 /nfs/dbraw/zinc/24/19/95/573241995.db2.gz XZWXKSCYXWYVSG-NXEZZACHSA-N 2 2 193.294 1.422 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccncc1 308521393 573242003 /nfs/dbraw/zinc/24/20/03/573242003.db2.gz XZWXKSCYXWYVSG-NXEZZACHSA-N 2 2 193.294 1.422 20 0 ADADLP Cc1ccsc1C[N@@H+](C)C[C@@H](C)[NH3+] 258677593 573481494 /nfs/dbraw/zinc/48/14/94/573481494.db2.gz DLCPKNWFRWELFM-SECBINFHSA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccsc1C[N@H+](C)C[C@@H](C)[NH3+] 258677593 573481496 /nfs/dbraw/zinc/48/14/96/573481496.db2.gz DLCPKNWFRWELFM-SECBINFHSA-N 2 2 198.335 1.836 20 0 ADADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccon2)C1 88052852 573058377 /nfs/dbraw/zinc/05/83/77/573058377.db2.gz PVBLZAJGOSYSAS-BDAKNGLRSA-N 2 2 195.266 1.034 20 0 ADADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccon2)C1 88052851 573058085 /nfs/dbraw/zinc/05/80/85/573058085.db2.gz PVBLZAJGOSYSAS-RKDXNWHRSA-N 2 2 195.266 1.034 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 308553582 573323247 /nfs/dbraw/zinc/32/32/47/573323247.db2.gz TZOAVPBLNKQOGB-FOGDFJRCSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 308553582 573323251 /nfs/dbraw/zinc/32/32/51/573323251.db2.gz TZOAVPBLNKQOGB-FOGDFJRCSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[N@H+](C)C1 133284914 573392326 /nfs/dbraw/zinc/39/23/26/573392326.db2.gz HHSBFWHUGJPUFM-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](C)C1 133284914 573392330 /nfs/dbraw/zinc/39/23/30/573392330.db2.gz HHSBFWHUGJPUFM-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1CC[N@H+](C)C1 133284338 573392504 /nfs/dbraw/zinc/39/25/04/573392504.db2.gz HHSBFWHUGJPUFM-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C)C1 133284338 573392506 /nfs/dbraw/zinc/39/25/06/573392506.db2.gz HHSBFWHUGJPUFM-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP [NH3+]C1(C[NH2+]Cc2ccccc2F)CC1 259111034 573514534 /nfs/dbraw/zinc/51/45/34/573514534.db2.gz PDUBHJUTXNTCCL-UHFFFAOYSA-N 2 2 194.253 1.407 20 0 ADADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H]2C[C@H]2C)C1 393667064 573542323 /nfs/dbraw/zinc/54/23/23/573542323.db2.gz MCAFMXVWCWUMAA-IJLUTSLNSA-N 2 2 196.338 1.574 20 0 ADADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H]2C[C@H]2C)C1 393667064 573542330 /nfs/dbraw/zinc/54/23/30/573542330.db2.gz MCAFMXVWCWUMAA-IJLUTSLNSA-N 2 2 196.338 1.574 20 0 ADADLP C[NH2+]C[C@@H]1CC[N@H+](C/C=C\Cl)C1 214449207 573654889 /nfs/dbraw/zinc/65/48/89/573654889.db2.gz BYIDJAPICZCYKD-MDHMXLOGSA-N 2 2 188.702 1.280 20 0 ADADLP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C\Cl)C1 214449207 573654896 /nfs/dbraw/zinc/65/48/96/573654896.db2.gz BYIDJAPICZCYKD-MDHMXLOGSA-N 2 2 188.702 1.280 20 0 ADADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C)C1 308665180 573662611 /nfs/dbraw/zinc/66/26/11/573662611.db2.gz SBZZPPCAMFMZRE-UTUOFQBUSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@H]2C)C1 308665180 573662619 /nfs/dbraw/zinc/66/26/19/573662619.db2.gz SBZZPPCAMFMZRE-UTUOFQBUSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 308665183 573662791 /nfs/dbraw/zinc/66/27/91/573662791.db2.gz SBZZPPCAMFMZRE-WOPDTQHZSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 308665183 573662797 /nfs/dbraw/zinc/66/27/97/573662797.db2.gz SBZZPPCAMFMZRE-WOPDTQHZSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 308665175 573663395 /nfs/dbraw/zinc/66/33/95/573663395.db2.gz SBZZPPCAMFMZRE-GRYCIOLGSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 308665175 573663398 /nfs/dbraw/zinc/66/33/98/573663398.db2.gz SBZZPPCAMFMZRE-GRYCIOLGSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CS1 86936321 573702638 /nfs/dbraw/zinc/70/26/38/573702638.db2.gz KPEAJSXWRDRNKY-HTQZYQBOSA-N 2 2 197.307 1.393 20 0 ADADLP C[C@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)CS1 86936320 573706323 /nfs/dbraw/zinc/70/63/23/573706323.db2.gz KPEAJSXWRDRNKY-YUMQZZPRSA-N 2 2 197.307 1.393 20 0 ADADLP c1[nH]c(C[NH2+][C@H]2CCCSC2)c[nH+]1 84081034 573760350 /nfs/dbraw/zinc/76/03/50/573760350.db2.gz XPAAKSHRJYTOSM-QMMMGPOBSA-N 2 2 197.307 1.395 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1 84080996 573764255 /nfs/dbraw/zinc/76/42/55/573764255.db2.gz JSZLPIPUTXATNZ-BDAKNGLRSA-N 2 2 179.267 1.688 20 0 ADADLP C[C@H]1SCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 235651599 573792955 /nfs/dbraw/zinc/79/29/55/573792955.db2.gz DHAYQBCOERTJTE-VXNVDRBHSA-N 2 2 197.307 1.393 20 0 ADADLP CCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C 308752596 573822836 /nfs/dbraw/zinc/82/28/36/573822836.db2.gz VAMBGNNSXWGFJT-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP CCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C 308752596 573822839 /nfs/dbraw/zinc/82/28/39/573822839.db2.gz VAMBGNNSXWGFJT-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H]1C1CC1 308753052 573824487 /nfs/dbraw/zinc/82/44/87/573824487.db2.gz VFSNEFAZTXTQLW-DLOVCJGASA-N 2 2 196.338 1.715 20 0 ADADLP CCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C 308752597 573825279 /nfs/dbraw/zinc/82/52/79/573825279.db2.gz VAMBGNNSXWGFJT-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP CCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C 308752597 573825286 /nfs/dbraw/zinc/82/52/86/573825286.db2.gz VAMBGNNSXWGFJT-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]1C1CC1 308753060 573825444 /nfs/dbraw/zinc/82/54/44/573825444.db2.gz VFSNEFAZTXTQLW-ZMLRMANQSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]1C1CC1 308753055 573825971 /nfs/dbraw/zinc/82/59/71/573825971.db2.gz VFSNEFAZTXTQLW-MVWJERBFSA-N 2 2 196.338 1.715 20 0 ADADLP CC(C)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 87258815 573851213 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/nfs/dbraw/zinc/72/43/92/1170724392.db2.gz PCVQPZIMCHECRF-WISYIIOYSA-N 2 2 194.322 1.326 20 0 ADADLP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 1578227087 1170724399 /nfs/dbraw/zinc/72/43/99/1170724399.db2.gz PCVQPZIMCHECRF-WISYIIOYSA-N 2 2 194.322 1.326 20 0 ADADLP C[NH2+]CC[C@H]1CCCC[N@@H+]1CC(C)=O 1578676505 1170728870 /nfs/dbraw/zinc/72/88/70/1170728870.db2.gz DHIVHJAFGAFFBD-LLVKDONJSA-N 2 2 198.310 1.039 20 0 ADADLP C[NH2+]CC[C@H]1CCCC[N@H+]1CC(C)=O 1578676505 1170728873 /nfs/dbraw/zinc/72/88/73/1170728873.db2.gz DHIVHJAFGAFFBD-LLVKDONJSA-N 2 2 198.310 1.039 20 0 ADADLP C[NH2+]CC[C@@H]1CCCC[N@@H+]1CC(C)=O 1578676506 1170729292 /nfs/dbraw/zinc/72/92/92/1170729292.db2.gz DHIVHJAFGAFFBD-NSHDSACASA-N 2 2 198.310 1.039 20 0 ADADLP C[NH2+]CC[C@@H]1CCCC[N@H+]1CC(C)=O 1578676506 1170729298 /nfs/dbraw/zinc/72/92/98/1170729298.db2.gz DHIVHJAFGAFFBD-NSHDSACASA-N 2 2 198.310 1.039 20 0 ADADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc[nH]c1 1579499592 1170736806 /nfs/dbraw/zinc/73/68/06/1170736806.db2.gz WVIBRSVKJLBMOP-MWLCHTKSSA-N 2 2 193.294 1.245 20 0 ADADLP Cc1cc(C[NH2+][C@H](C)C[NH3+])cc(C)n1 1579600731 1170737969 /nfs/dbraw/zinc/73/79/69/1170737969.db2.gz BOLTWTNTFIAVIL-SNVBAGLBSA-N 2 2 193.294 1.135 20 0 ADADLP Cc1cc(C[NH2+][C@@H](C)C[NH3+])cc(C)n1 1579600730 1170739149 /nfs/dbraw/zinc/73/91/49/1170739149.db2.gz BOLTWTNTFIAVIL-JTQLQIEISA-N 2 2 193.294 1.135 20 0 ADADLP Cc1cnc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)s1 1579823309 1170739896 /nfs/dbraw/zinc/73/98/96/1170739896.db2.gz JPCAYQGTKIUMOD-OCAPTIKFSA-N 2 2 197.307 1.031 20 0 ADADLP Cc1csc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)n1 1579834243 1170739924 /nfs/dbraw/zinc/73/99/24/1170739924.db2.gz AQIMXJMZWOHSBK-OCAPTIKFSA-N 2 2 197.307 1.031 20 0 ADADLP Cc1ccccc1C[NH2+]C[C@H]1CC[NH2+]1 1579802335 1170739937 /nfs/dbraw/zinc/73/99/37/1170739937.db2.gz ZEQGUZWQOHMTQF-GFCCVEGCSA-N 2 2 190.290 1.447 20 0 ADADLP Cc1cnc(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 1579823310 1170740912 /nfs/dbraw/zinc/74/09/12/1170740912.db2.gz JPCAYQGTKIUMOD-ZKCHVHJHSA-N 2 2 197.307 1.031 20 0 ADADLP Cc1ccccc1C[NH2+]C[C@@H]1CC[NH2+]1 1579802336 1170742111 /nfs/dbraw/zinc/74/21/11/1170742111.db2.gz ZEQGUZWQOHMTQF-LBPRGKRZSA-N 2 2 190.290 1.447 20 0 ADADLP Cc1cc(C[NH2+]C[C@@H](C)[NH3+])cc(C)n1 1579600871 1170742449 /nfs/dbraw/zinc/74/24/49/1170742449.db2.gz CCCRQIPSYRQFOT-MRVPVSSYSA-N 2 2 193.294 1.135 20 0 ADADLP Cc1cc(C[NH2+]C[C@H](C)[NH3+])cc(C)n1 1579600873 1170742759 /nfs/dbraw/zinc/74/27/59/1170742759.db2.gz CCCRQIPSYRQFOT-QMMMGPOBSA-N 2 2 193.294 1.135 20 0 ADADLP Cc1cc(C[NH2+]C(C)(C)C[NH3+])sn1 1579600829 1170743050 /nfs/dbraw/zinc/74/30/50/1170743050.db2.gz BFSGDTWKDIJZHE-UHFFFAOYSA-N 2 2 199.323 1.278 20 0 ADADLP CC(C)C[N@@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1660119098 1170943263 /nfs/dbraw/zinc/94/32/63/1170943263.db2.gz YRQLDIJWASWXTO-NWDGAFQWSA-N 2 2 196.338 1.811 20 0 ADADLP CC(C)C[N@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1660119098 1170943269 /nfs/dbraw/zinc/94/32/69/1170943269.db2.gz YRQLDIJWASWXTO-NWDGAFQWSA-N 2 2 196.338 1.811 20 0 ADADLP CC(C)C[NH+]1[C@H]2CC[C@@H]1C[N@H+](C)CC2 1660119098 1170943274 /nfs/dbraw/zinc/94/32/74/1170943274.db2.gz YRQLDIJWASWXTO-NWDGAFQWSA-N 2 2 196.338 1.811 20 0 ADADLP CC(C)C[NH+]1[C@H]2CC[C@@H]1C[N@@H+](C)CC2 1660119098 1170943282 /nfs/dbraw/zinc/94/32/82/1170943282.db2.gz YRQLDIJWASWXTO-NWDGAFQWSA-N 2 2 196.338 1.811 20 0 ADADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC1 53343243 571683811 /nfs/dbraw/zinc/68/38/11/571683811.db2.gz OLAKWMWBPBSMNZ-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC1 53343243 571683813 /nfs/dbraw/zinc/68/38/13/571683813.db2.gz OLAKWMWBPBSMNZ-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP CCC[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 54762953 571692453 /nfs/dbraw/zinc/69/24/53/571692453.db2.gz PSQYSRVWVIEKIN-MRVPVSSYSA-N 2 2 167.256 1.688 20 0 ADADLP CCCCCC[N@H+]1CC[C@@H]([NH2+]C)C1 70559738 571693735 /nfs/dbraw/zinc/69/37/35/571693735.db2.gz KLRJTLFBSZSNRG-LLVKDONJSA-N 2 2 184.327 1.860 20 0 ADADLP CCCCCC[N@@H+]1CC[C@@H]([NH2+]C)C1 70559738 571693731 /nfs/dbraw/zinc/69/37/31/571693731.db2.gz KLRJTLFBSZSNRG-LLVKDONJSA-N 2 2 184.327 1.860 20 0 ADADLP CC(C)CC[NH2+]C[C@@H](C)[NH+](C)C 38088726 571713466 /nfs/dbraw/zinc/71/34/66/571713466.db2.gz ZGKAOYAJUCTKOB-SNVBAGLBSA-N 2 2 172.316 1.572 20 0 ADADLP C[NH2+]C[C@@H]1CC[N@H+](C/C=C/Cl)C1 70799741 571755615 /nfs/dbraw/zinc/75/56/15/571755615.db2.gz BYIDJAPICZCYKD-LXOKAJLYSA-N 2 2 188.702 1.280 20 0 ADADLP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C/Cl)C1 70799741 571755619 /nfs/dbraw/zinc/75/56/19/571755619.db2.gz BYIDJAPICZCYKD-LXOKAJLYSA-N 2 2 188.702 1.280 20 0 ADADLP C[NH2+]C[C@H]1CC[N@H+](C/C=C/Cl)C1 70799744 571757521 /nfs/dbraw/zinc/75/75/21/571757521.db2.gz BYIDJAPICZCYKD-HDMKULJXSA-N 2 2 188.702 1.280 20 0 ADADLP C[NH2+]C[C@H]1CC[N@@H+](C/C=C/Cl)C1 70799744 571757523 /nfs/dbraw/zinc/75/75/23/571757523.db2.gz BYIDJAPICZCYKD-HDMKULJXSA-N 2 2 188.702 1.280 20 0 ADADLP COC(C)(C)CC[NH2+]Cc1c[nH+]c[nH]1 234597452 571811400 /nfs/dbraw/zinc/81/14/00/571811400.db2.gz FXMAIBQRATVXLX-UHFFFAOYSA-N 2 2 197.282 1.314 20 0 ADADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC1 252173330 571829969 /nfs/dbraw/zinc/82/99/69/571829969.db2.gz OLAKWMWBPBSMNZ-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC1 252173330 571829971 /nfs/dbraw/zinc/82/99/71/571829971.db2.gz OLAKWMWBPBSMNZ-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP Cc1nc(C)c(C[NH2+][C@H](C)C[NH3+])s1 235456394 571915405 /nfs/dbraw/zinc/91/54/05/571915405.db2.gz CCUOBCOHFJZBFK-ZCFIWIBFSA-N 2 2 199.323 1.197 20 0 ADADLP CC[N@H+](C)[C@@H]1CCCC[NH2+]1 520887676 571940888 /nfs/dbraw/zinc/94/08/88/571940888.db2.gz URPOSHDCRQSMNL-MRVPVSSYSA-N 2 2 142.246 1.038 20 0 ADADLP CC[N@@H+](C)[C@@H]1CCCC[NH2+]1 520887676 571940890 /nfs/dbraw/zinc/94/08/90/571940890.db2.gz URPOSHDCRQSMNL-MRVPVSSYSA-N 2 2 142.246 1.038 20 0 ADADLP CC[N@H+](C)[C@H]1CCCC[NH2+]1 520887677 571941745 /nfs/dbraw/zinc/94/17/45/571941745.db2.gz URPOSHDCRQSMNL-QMMMGPOBSA-N 2 2 142.246 1.038 20 0 ADADLP CC[N@@H+](C)[C@H]1CCCC[NH2+]1 520887677 571941748 /nfs/dbraw/zinc/94/17/48/571941748.db2.gz URPOSHDCRQSMNL-QMMMGPOBSA-N 2 2 142.246 1.038 20 0 ADADLP CC(C)([NH3+])C[NH2+]Cc1ccco1 40926059 571964679 /nfs/dbraw/zinc/96/46/79/571964679.db2.gz XAGKHWLLORNEOE-UHFFFAOYSA-N 2 2 168.240 1.107 20 0 ADADLP CNc1ccccc1C[N@H+](C)CC[NH3+] 234478317 571973463 /nfs/dbraw/zinc/97/34/63/571973463.db2.gz UVKKHLMDIWSUEQ-UHFFFAOYSA-N 2 2 193.294 1.119 20 0 ADADLP CNc1ccccc1C[N@@H+](C)CC[NH3+] 234478317 571973464 /nfs/dbraw/zinc/97/34/64/571973464.db2.gz UVKKHLMDIWSUEQ-UHFFFAOYSA-N 2 2 193.294 1.119 20 0 ADADLP C[NH2+]CC[NH2+]Cc1sc(C)nc1C 234384105 571996112 /nfs/dbraw/zinc/99/61/12/571996112.db2.gz UDLDUQFBZSDVAJ-UHFFFAOYSA-N 2 2 199.323 1.069 20 0 ADADLP CCCC[NH2+][C@@H](C)Cn1cc[nH+]c1 35275383 572018741 /nfs/dbraw/zinc/01/87/41/572018741.db2.gz MMPLUAQYEOBZLJ-JTQLQIEISA-N 2 2 181.283 1.661 20 0 ADADLP CC(C)CC[NH2+][C@@H](C)Cn1cc[nH+]c1 35275393 572019256 /nfs/dbraw/zinc/01/92/56/572019256.db2.gz FNSSCUUUWBEKJS-NSHDSACASA-N 2 2 195.310 1.907 20 0 ADADLP CCCC[NH2+][C@H](C)Cn1cc[nH+]c1 35275386 572018903 /nfs/dbraw/zinc/01/89/03/572018903.db2.gz MMPLUAQYEOBZLJ-SNVBAGLBSA-N 2 2 181.283 1.661 20 0 ADADLP CC(C)CC[NH2+][C@H](C)Cn1cc[nH+]c1 35275396 572019382 /nfs/dbraw/zinc/01/93/82/572019382.db2.gz FNSSCUUUWBEKJS-LLVKDONJSA-N 2 2 195.310 1.907 20 0 ADADLP CSCCC[NH2+]Cc1c[nH+]c[nH]1 68998387 572019508 /nfs/dbraw/zinc/01/95/08/572019508.db2.gz LHFBLJLREOUKFU-UHFFFAOYSA-N 2 2 185.296 1.252 20 0 ADADLP CC(C)(C)CC[NH2+]Cc1c[nH+]c[nH]1 82394599 572023721 /nfs/dbraw/zinc/02/37/21/572023721.db2.gz BUMXSDGVZNTUGW-UHFFFAOYSA-N 2 2 181.283 1.936 20 0 ADADLP C[N@@H+]1CCC[C@H]([NH2+]CCC2CCC2)C1 229080670 572027519 /nfs/dbraw/zinc/02/75/19/572027519.db2.gz LGWZUFKVSXFWCO-LBPRGKRZSA-N 2 2 196.338 1.860 20 0 ADADLP C[N@H+]1CCC[C@H]([NH2+]CCC2CCC2)C1 229080670 572027521 /nfs/dbraw/zinc/02/75/21/572027521.db2.gz LGWZUFKVSXFWCO-LBPRGKRZSA-N 2 2 196.338 1.860 20 0 ADADLP CCC(CC)C[NH2+]Cc1c[nH+]c[nH]1 82515027 572045207 /nfs/dbraw/zinc/04/52/07/572045207.db2.gz CWMWYADLUMFQQQ-UHFFFAOYSA-N 2 2 181.283 1.936 20 0 ADADLP CCCCOCC[N@H+](C)C[C@@H](C)[NH3+] 82594639 572055427 /nfs/dbraw/zinc/05/54/27/572055427.db2.gz KLLZPGMXXSDUJY-SNVBAGLBSA-N 2 2 188.315 1.082 20 0 ADADLP CCCCOCC[N@@H+](C)C[C@@H](C)[NH3+] 82594639 572055430 /nfs/dbraw/zinc/05/54/30/572055430.db2.gz KLLZPGMXXSDUJY-SNVBAGLBSA-N 2 2 188.315 1.082 20 0 ADADLP CCCCOCC[N@H+](C)C[C@H](C)[NH3+] 82594640 572056467 /nfs/dbraw/zinc/05/64/67/572056467.db2.gz KLLZPGMXXSDUJY-JTQLQIEISA-N 2 2 188.315 1.082 20 0 ADADLP CCCCOCC[N@@H+](C)C[C@H](C)[NH3+] 82594640 572056468 /nfs/dbraw/zinc/05/64/68/572056468.db2.gz KLLZPGMXXSDUJY-JTQLQIEISA-N 2 2 188.315 1.082 20 0 ADADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])o1 235095167 572060087 /nfs/dbraw/zinc/06/00/87/572060087.db2.gz IPCBCXKOGGQJIW-IONNQARKSA-N 2 2 182.267 1.586 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(F)c1 235096244 572062213 /nfs/dbraw/zinc/06/22/13/572062213.db2.gz NMSTWBRXZZBBTE-DTWKUNHWSA-N 2 2 196.269 1.824 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(O)c1 235096401 572063114 /nfs/dbraw/zinc/06/31/14/572063114.db2.gz DWGWLUBJGLITEB-DTWKUNHWSA-N 2 2 194.278 1.390 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccco1 235096919 572063457 /nfs/dbraw/zinc/06/34/57/572063457.db2.gz GSJLFWOAJDZFOI-JGVFFNPUSA-N 2 2 168.240 1.277 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccsc1 235097063 572063756 /nfs/dbraw/zinc/06/37/56/572063756.db2.gz TVZBJEAZZMYWLJ-JGVFFNPUSA-N 2 2 184.308 1.746 20 0 ADADLP CCc1[nH+]ccn1CC[NH+]1CCCC1 82615398 572074201 /nfs/dbraw/zinc/07/42/01/572074201.db2.gz BWXLCTLQOONAGP-UHFFFAOYSA-N 2 2 193.294 1.541 20 0 ADADLP CC[N@H+](CC(C)C)C[C@H]1CCC[NH2+]1 37111798 572096494 /nfs/dbraw/zinc/09/64/94/572096494.db2.gz XJDUGGBCXLGKKP-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP CC[N@@H+](CC(C)C)C[C@H]1CCC[NH2+]1 37111798 572096496 /nfs/dbraw/zinc/09/64/96/572096496.db2.gz XJDUGGBCXLGKKP-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP CC(C)([NH3+])CC[NH2+]Cc1cscn1 82773437 572106790 /nfs/dbraw/zinc/10/67/90/572106790.db2.gz KQYBBOVGZLLLFK-UHFFFAOYSA-N 2 2 199.323 1.360 20 0 ADADLP CC(C)([NH3+])CC[NH2+]Cc1nccs1 82773185 572106814 /nfs/dbraw/zinc/10/68/14/572106814.db2.gz SDVPEDPQWQCHFM-UHFFFAOYSA-N 2 2 199.323 1.360 20 0 ADADLP C[NH2+]CC[N@H+](C)Cc1ccccc1C 37269498 572107316 /nfs/dbraw/zinc/10/73/16/572107316.db2.gz IKOHSQUZZQWNGY-UHFFFAOYSA-N 2 2 192.306 1.646 20 0 ADADLP C[NH2+]CC[N@@H+](C)Cc1ccccc1C 37269498 572107319 /nfs/dbraw/zinc/10/73/19/572107319.db2.gz IKOHSQUZZQWNGY-UHFFFAOYSA-N 2 2 192.306 1.646 20 0 ADADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])o1 235145070 572114863 /nfs/dbraw/zinc/11/48/63/572114863.db2.gz IPCBCXKOGGQJIW-CBAPKCEASA-N 2 2 182.267 1.586 20 0 ADADLP Cc1cc([C@H](C)[NH2+][C@@H](C)C[NH3+])c(C)o1 235144740 572115918 /nfs/dbraw/zinc/11/59/18/572115918.db2.gz GUORLMVZKOKZCQ-CBAPKCEASA-N 2 2 196.294 1.894 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(O)c1 235145696 572117253 /nfs/dbraw/zinc/11/72/53/572117253.db2.gz DWGWLUBJGLITEB-IUCAKERBSA-N 2 2 194.278 1.390 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(F)c1 235145581 572117671 /nfs/dbraw/zinc/11/76/71/572117671.db2.gz NMSTWBRXZZBBTE-IUCAKERBSA-N 2 2 196.269 1.824 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1F 235145899 572117929 /nfs/dbraw/zinc/11/79/29/572117929.db2.gz BSEPEVDHFOYQGF-IUCAKERBSA-N 2 2 196.269 1.824 20 0 ADADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C)C1 69663565 572127899 /nfs/dbraw/zinc/12/78/99/572127899.db2.gz WKONOUDZTQROSB-KOLCDFICSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C)C1 69663565 572127901 /nfs/dbraw/zinc/12/79/01/572127901.db2.gz WKONOUDZTQROSB-KOLCDFICSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C)C1 69663563 572128507 /nfs/dbraw/zinc/12/85/07/572128507.db2.gz WKONOUDZTQROSB-ONGXEEELSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C)C1 69663563 572128510 /nfs/dbraw/zinc/12/85/10/572128510.db2.gz WKONOUDZTQROSB-ONGXEEELSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C)C1 69663561 572129100 /nfs/dbraw/zinc/12/91/00/572129100.db2.gz WKONOUDZTQROSB-MWLCHTKSSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C)C1 69663561 572129104 /nfs/dbraw/zinc/12/91/04/572129104.db2.gz WKONOUDZTQROSB-MWLCHTKSSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C)C1 69663557 572130235 /nfs/dbraw/zinc/13/02/35/572130235.db2.gz WKONOUDZTQROSB-GXSJLCMTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C)C1 69663557 572130240 /nfs/dbraw/zinc/13/02/40/572130240.db2.gz WKONOUDZTQROSB-GXSJLCMTSA-N 2 2 182.311 1.469 20 0 ADADLP C[NH2+]CC[N@H+](C)[C@@H](C)c1ccccc1 69800927 572141258 /nfs/dbraw/zinc/14/12/58/572141258.db2.gz IRQKETOLUIASQX-NSHDSACASA-N 2 2 192.306 1.899 20 0 ADADLP C[NH2+]CC[N@@H+](C)[C@@H](C)c1ccccc1 69800927 572141260 /nfs/dbraw/zinc/14/12/60/572141260.db2.gz IRQKETOLUIASQX-NSHDSACASA-N 2 2 192.306 1.899 20 0 ADADLP c1[nH]c(C[NH2+]C2CCCCC2)c[nH+]1 35392854 572169395 /nfs/dbraw/zinc/16/93/95/572169395.db2.gz DPHOCCVTDDJTQY-UHFFFAOYSA-N 2 2 179.267 1.832 20 0 ADADLP C[N@H+](C/C=C/Cl)C1CC[NH2+]CC1 36300566 572204439 /nfs/dbraw/zinc/20/44/39/572204439.db2.gz VQQFPBREHNABKD-GORDUTHDSA-N 2 2 188.702 1.423 20 0 ADADLP C[N@@H+](C/C=C/Cl)C1CC[NH2+]CC1 36300566 572204441 /nfs/dbraw/zinc/20/44/41/572204441.db2.gz VQQFPBREHNABKD-GORDUTHDSA-N 2 2 188.702 1.423 20 0 ADADLP Cc1ccc([C@@H](C[NH3+])[NH+](C)C)s1 36906757 572226975 /nfs/dbraw/zinc/22/69/75/572226975.db2.gz RQPBUYBUQJQGNW-MRVPVSSYSA-N 2 2 184.308 1.618 20 0 ADADLP Cc1ccc([C@H](C[NH3+])[NH+](C)C)s1 36906758 572227396 /nfs/dbraw/zinc/22/73/96/572227396.db2.gz RQPBUYBUQJQGNW-QMMMGPOBSA-N 2 2 184.308 1.618 20 0 ADADLP C[C@H]1CCC[N@@H+]1CC[NH2+]CC1CC1 37911217 572238090 /nfs/dbraw/zinc/23/80/90/572238090.db2.gz CSUKECWZTJSAIR-JTQLQIEISA-N 2 2 182.311 1.470 20 0 ADADLP C[C@H]1CCC[N@H+]1CC[NH2+]CC1CC1 37911217 572238093 /nfs/dbraw/zinc/23/80/93/572238093.db2.gz CSUKECWZTJSAIR-JTQLQIEISA-N 2 2 182.311 1.470 20 0 ADADLP C[N@H+](CC[NH3+])CCc1ccccc1F 49811647 572251145 /nfs/dbraw/zinc/25/11/45/572251145.db2.gz SWYWLRPACHZGAP-UHFFFAOYSA-N 2 2 196.269 1.259 20 0 ADADLP C[N@@H+](CC[NH3+])CCc1ccccc1F 49811647 572251146 /nfs/dbraw/zinc/25/11/46/572251146.db2.gz SWYWLRPACHZGAP-UHFFFAOYSA-N 2 2 196.269 1.259 20 0 ADADLP CC1(C)CC[N@H+](CC[NH2+]CC2CC2)C1 87254982 572411804 /nfs/dbraw/zinc/41/18/04/572411804.db2.gz PQJYPPQDIOJTRB-UHFFFAOYSA-N 2 2 196.338 1.718 20 0 ADADLP CC1(C)CC[N@@H+](CC[NH2+]CC2CC2)C1 87254982 572411808 /nfs/dbraw/zinc/41/18/08/572411808.db2.gz PQJYPPQDIOJTRB-UHFFFAOYSA-N 2 2 196.338 1.718 20 0 ADADLP Cc1csc(C[NH2+]CC2([NH3+])CC2)n1 83837126 572434398 /nfs/dbraw/zinc/43/43/98/572434398.db2.gz ZUZSVZMVIDRVIA-UHFFFAOYSA-N 2 2 197.307 1.032 20 0 ADADLP Cc1ncc(C[NH2+]CC2([NH3+])CC2)s1 83837120 572434676 /nfs/dbraw/zinc/43/46/76/572434676.db2.gz AJZLSSFCDWCRMH-UHFFFAOYSA-N 2 2 197.307 1.032 20 0 ADADLP C[N@H+](CCC(F)(F)F)CC(C)(C)[NH3+] 83890092 572437927 /nfs/dbraw/zinc/43/79/27/572437927.db2.gz XJGHBXQVIVGIEO-UHFFFAOYSA-N 2 2 198.232 1.608 20 0 ADADLP Cc1ncsc1C[NH2+]CC1([NH3+])CC1 83837465 572435847 /nfs/dbraw/zinc/43/58/47/572435847.db2.gz ZEJIAGZAOFKTPY-UHFFFAOYSA-N 2 2 197.307 1.032 20 0 ADADLP [NH3+]C1(C[NH2+]Cc2ccsc2)CC1 83837459 572436497 /nfs/dbraw/zinc/43/64/97/572436497.db2.gz WPNZXUDVETVYMJ-UHFFFAOYSA-N 2 2 182.292 1.329 20 0 ADADLP C[N@@H+](CCC(F)(F)F)CC(C)(C)[NH3+] 83890092 572437930 /nfs/dbraw/zinc/43/79/30/572437930.db2.gz XJGHBXQVIVGIEO-UHFFFAOYSA-N 2 2 198.232 1.608 20 0 ADADLP C[NH2+]CCC[N@H+](C)CCC(F)(F)F 83879024 572438373 /nfs/dbraw/zinc/43/83/73/572438373.db2.gz QZYZKNWWNFVZDL-UHFFFAOYSA-N 2 2 198.232 1.480 20 0 ADADLP C[NH2+]CCC[N@@H+](C)CCC(F)(F)F 83879024 572438375 /nfs/dbraw/zinc/43/83/75/572438375.db2.gz QZYZKNWWNFVZDL-UHFFFAOYSA-N 2 2 198.232 1.480 20 0 ADADLP c1[nH]c(C[NH2+]CCC2CC2)c[nH+]1 83893838 572439398 /nfs/dbraw/zinc/43/93/98/572439398.db2.gz ISQJKQVRSXJKKK-UHFFFAOYSA-N 2 2 165.240 1.299 20 0 ADADLP CCCC[NH2+]CC[N@H+](C)C(C)C 53344127 572442919 /nfs/dbraw/zinc/44/29/19/572442919.db2.gz KSTDTGKQHRUWKE-UHFFFAOYSA-N 2 2 172.316 1.716 20 0 ADADLP CCCC[NH2+]CC[N@@H+](C)C(C)C 53344127 572442920 /nfs/dbraw/zinc/44/29/20/572442920.db2.gz KSTDTGKQHRUWKE-UHFFFAOYSA-N 2 2 172.316 1.716 20 0 ADADLP CC(C)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44684010 572472874 /nfs/dbraw/zinc/47/28/74/572472874.db2.gz DLYDECGAHCUPKF-LLVKDONJSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44684010 572472879 /nfs/dbraw/zinc/47/28/79/572472879.db2.gz DLYDECGAHCUPKF-LLVKDONJSA-N 2 2 196.338 1.859 20 0 ADADLP C1=CO[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)CC1 84080829 572492933 /nfs/dbraw/zinc/49/29/33/572492933.db2.gz VWPRATRLSXOSAI-SNVBAGLBSA-N 2 2 193.250 1.192 20 0 ADADLP C1=CO[C@H](C[NH2+]Cc2c[nH+]c[nH]2)CC1 84080828 572496030 /nfs/dbraw/zinc/49/60/30/572496030.db2.gz VWPRATRLSXOSAI-JTQLQIEISA-N 2 2 193.250 1.192 20 0 ADADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c(C)o1 235094735 572499092 /nfs/dbraw/zinc/49/90/92/572499092.db2.gz GUORLMVZKOKZCQ-IONNQARKSA-N 2 2 196.294 1.894 20 0 ADADLP c1[nH]c(C[NH2+]C[C@@H]2CCCS2)c[nH+]1 87473124 572508293 /nfs/dbraw/zinc/50/82/93/572508293.db2.gz ACCATBOFFRGFBY-VIFPVBQESA-N 2 2 197.307 1.395 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2occc21 235100405 572509541 /nfs/dbraw/zinc/50/95/41/572509541.db2.gz HZJCOGYEAINPDP-WPRPVWTQSA-N 2 2 194.278 1.594 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2occc21 235148403 572550195 /nfs/dbraw/zinc/55/01/95/572550195.db2.gz HZJCOGYEAINPDP-WCBMZHEXSA-N 2 2 194.278 1.594 20 0 ADADLP C[NH2+]CC[N@H+](C)CCc1cccs1 69626619 572551309 /nfs/dbraw/zinc/55/13/09/572551309.db2.gz VHXZLOXBZACMQR-UHFFFAOYSA-N 2 2 198.335 1.442 20 0 ADADLP C[NH2+]CC[N@@H+](C)CCc1cccs1 69626619 572551311 /nfs/dbraw/zinc/55/13/11/572551311.db2.gz VHXZLOXBZACMQR-UHFFFAOYSA-N 2 2 198.335 1.442 20 0 ADADLP [NH3+]C[C@H]1CCC[N@@H+]1C/C=C\Cl 307808209 572557098 /nfs/dbraw/zinc/55/70/98/572557098.db2.gz YDOHMXYTASHMBR-DLRBJTRDSA-N 2 2 174.675 1.162 20 0 ADADLP [NH3+]C[C@H]1CCC[N@H+]1C/C=C\Cl 307808209 572557108 /nfs/dbraw/zinc/55/71/08/572557108.db2.gz YDOHMXYTASHMBR-DLRBJTRDSA-N 2 2 174.675 1.162 20 0 ADADLP Cc1ccc(Cl)c([C@@H]([NH3+])C[NH3+])c1 72200250 572638033 /nfs/dbraw/zinc/63/80/33/572638033.db2.gz KIFQPPCWISPYHH-VIFPVBQESA-N 2 2 184.670 1.607 20 0 ADADLP Cc1cccc([C@H]([NH3+])C[NH3+])c1Cl 72200239 572638067 /nfs/dbraw/zinc/63/80/67/572638067.db2.gz IMRNLUKFCARPHK-MRVPVSSYSA-N 2 2 184.670 1.607 20 0 ADADLP Cc1cc(F)cc([C@@H]([NH3+])C[NH3+])c1 72200038 572638163 /nfs/dbraw/zinc/63/81/63/572638163.db2.gz IPMLIWRGBNNSGU-VIFPVBQESA-N 2 2 168.215 1.093 20 0 ADADLP Cc1cc(F)cc([C@H]([NH3+])C[NH3+])c1 72200037 572638593 /nfs/dbraw/zinc/63/85/93/572638593.db2.gz IPMLIWRGBNNSGU-SECBINFHSA-N 2 2 168.215 1.093 20 0 ADADLP C[C@@H]1SCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 235308561 572693685 /nfs/dbraw/zinc/69/36/85/572693685.db2.gz DHAYQBCOERTJTE-CBAPKCEASA-N 2 2 197.307 1.393 20 0 ADADLP CC[NH2+]C1CC[NH+](CCF)CC1 87774034 572706327 /nfs/dbraw/zinc/70/63/27/572706327.db2.gz YIKOJJLROZRDLP-UHFFFAOYSA-N 2 2 174.263 1.030 20 0 ADADLP CC[N@H+](CCF)C1CC[NH2+]CC1 87776556 572709941 /nfs/dbraw/zinc/70/99/41/572709941.db2.gz WAIIFCFMSPIKNY-UHFFFAOYSA-N 2 2 174.263 1.030 20 0 ADADLP CC[N@@H+](CCF)C1CC[NH2+]CC1 87776556 572709945 /nfs/dbraw/zinc/70/99/45/572709945.db2.gz WAIIFCFMSPIKNY-UHFFFAOYSA-N 2 2 174.263 1.030 20 0 ADADLP CCC(CC)[NH2+]Cc1c[nH+]c[nH]1 54762882 572722291 /nfs/dbraw/zinc/72/22/91/572722291.db2.gz MZFSGDQQCZCZBW-UHFFFAOYSA-N 2 2 167.256 1.688 20 0 ADADLP c1[nH]c(C[NH2+]C2CCCC2)c[nH+]1 54762879 572723375 /nfs/dbraw/zinc/72/33/75/572723375.db2.gz VBVPQPJRAAXURT-UHFFFAOYSA-N 2 2 165.240 1.442 20 0 ADADLP CC(C)C[NH2+]Cc1c[nH+]c[nH]1 54762876 572724714 /nfs/dbraw/zinc/72/47/14/572724714.db2.gz KDEMOJIQWCMPPY-UHFFFAOYSA-N 2 2 153.229 1.155 20 0 ADADLP C[N@H+](C/C=C\Cl)[C@H](C[NH3+])C1CC1 307907319 572745321 /nfs/dbraw/zinc/74/53/21/572745321.db2.gz KRFNUOAACMBTMN-JHYPKJRRSA-N 2 2 188.702 1.408 20 0 ADADLP C[N@@H+](C/C=C\Cl)[C@H](C[NH3+])C1CC1 307907319 572745326 /nfs/dbraw/zinc/74/53/26/572745326.db2.gz KRFNUOAACMBTMN-JHYPKJRRSA-N 2 2 188.702 1.408 20 0 ADADLP C[C@@H]1[NH2+]CCC[C@@H]1[N@@H+]1CCC[C@@H](C)C1 307653849 572756006 /nfs/dbraw/zinc/75/60/06/572756006.db2.gz UWKMQLIUSWMLHM-WOPDTQHZSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1[NH2+]CCC[C@@H]1[N@H+]1CCC[C@@H](C)C1 307653849 572756011 /nfs/dbraw/zinc/75/60/11/572756011.db2.gz UWKMQLIUSWMLHM-WOPDTQHZSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CCC[N@@H+]([C@H]2CCC[NH2+][C@@H]2C)C1 307653848 572756079 /nfs/dbraw/zinc/75/60/79/572756079.db2.gz UWKMQLIUSWMLHM-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CCC[N@H+]([C@H]2CCC[NH2+][C@@H]2C)C1 307653848 572756083 /nfs/dbraw/zinc/75/60/83/572756083.db2.gz UWKMQLIUSWMLHM-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+]1CCC[C@@H](C)C1 307653846 572757195 /nfs/dbraw/zinc/75/71/95/572757195.db2.gz UWKMQLIUSWMLHM-GRYCIOLGSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH2+][C@@H]2C)C1 307653847 572756869 /nfs/dbraw/zinc/75/68/69/572756869.db2.gz UWKMQLIUSWMLHM-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH2+][C@@H]2C)C1 307653847 572756873 /nfs/dbraw/zinc/75/68/73/572756873.db2.gz UWKMQLIUSWMLHM-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1[NH2+]CCC[C@H]1[N@H+]1CCC[C@@H](C)C1 307653846 572757198 /nfs/dbraw/zinc/75/71/98/572757198.db2.gz UWKMQLIUSWMLHM-GRYCIOLGSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]([NH3+])C[NH2+]Cc1nc(C)cs1 49539155 572770432 /nfs/dbraw/zinc/77/04/32/572770432.db2.gz SVCACKNTAYTFPC-QMMMGPOBSA-N 2 2 199.323 1.278 20 0 ADADLP [NH3+][C@H](CC(F)F)C[NH+]1CCCC1 308118657 572776358 /nfs/dbraw/zinc/77/63/58/572776358.db2.gz NQYSCDWJNRITFI-SSDOTTSWSA-N 2 2 178.226 1.065 20 0 ADADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCCC1 308118659 572775874 /nfs/dbraw/zinc/77/58/74/572775874.db2.gz NQYSCDWJNRITFI-ZETCQYMHSA-N 2 2 178.226 1.065 20 0 ADADLP C[C@H]1CC[C@H]1[NH2+]CCn1cc[nH+]c1 308138000 572809545 /nfs/dbraw/zinc/80/95/45/572809545.db2.gz JOTVPAIMOPWKEC-VHSXEESVSA-N 2 2 179.267 1.271 20 0 ADADLP C[C@H]1CC[C@@H]1[NH2+]CCn1cc[nH+]c1 308137999 572810198 /nfs/dbraw/zinc/81/01/98/572810198.db2.gz JOTVPAIMOPWKEC-UWVGGRQHSA-N 2 2 179.267 1.271 20 0 ADADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C 308135975 572819418 /nfs/dbraw/zinc/81/94/18/572819418.db2.gz IGINKJGZBBDWMB-QWRGUYRKSA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C 308135975 572819422 /nfs/dbraw/zinc/81/94/22/572819422.db2.gz IGINKJGZBBDWMB-QWRGUYRKSA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C 308135974 572819477 /nfs/dbraw/zinc/81/94/77/572819477.db2.gz IGINKJGZBBDWMB-MNOVXSKESA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C 308135974 572819479 /nfs/dbraw/zinc/81/94/79/572819479.db2.gz IGINKJGZBBDWMB-MNOVXSKESA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C 308135976 572820119 /nfs/dbraw/zinc/82/01/19/572820119.db2.gz IGINKJGZBBDWMB-WDEREUQCSA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C 308135976 572820125 /nfs/dbraw/zinc/82/01/25/572820125.db2.gz IGINKJGZBBDWMB-WDEREUQCSA-N 2 2 184.327 1.715 20 0 ADADLP CC[N@H+](CC[NH3+])Cc1csc(C)c1 308150263 572842527 /nfs/dbraw/zinc/84/25/27/572842527.db2.gz QJXHPNUTOBKORS-UHFFFAOYSA-N 2 2 198.335 1.837 20 0 ADADLP CC[N@@H+](CC[NH3+])Cc1csc(C)c1 308150263 572842530 /nfs/dbraw/zinc/84/25/30/572842530.db2.gz QJXHPNUTOBKORS-UHFFFAOYSA-N 2 2 198.335 1.837 20 0 ADADLP C[C@@H]1SCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 235372956 572865580 /nfs/dbraw/zinc/86/55/80/572865580.db2.gz DHAYQBCOERTJTE-IONNQARKSA-N 2 2 197.307 1.393 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]CC(C)(C)[NH+](C)C 308162588 572892851 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CC(C)[NH2+]c1ccc(OCC[NH3+])cc1 86681744 572973940 /nfs/dbraw/zinc/97/39/40/572973940.db2.gz YLVRMOVMPVCBEL-UHFFFAOYSA-N 2 2 194.278 1.844 20 0 ADADLP C[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)[C@H]1C 299913079 572981587 /nfs/dbraw/zinc/98/15/87/572981587.db2.gz QHBLQANHPDOFHQ-SDDRHHMPSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)[C@H]1C 299913079 572981588 /nfs/dbraw/zinc/98/15/88/572981588.db2.gz QHBLQANHPDOFHQ-SDDRHHMPSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)[N@H+](CC1CC1)C[C@H]1CCC[NH2+]1 42593604 573003349 /nfs/dbraw/zinc/00/33/49/573003349.db2.gz PSABCIUXMUUQBW-GFCCVEGCSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)[N@@H+](CC1CC1)C[C@H]1CCC[NH2+]1 42593604 573003355 /nfs/dbraw/zinc/00/33/55/573003355.db2.gz PSABCIUXMUUQBW-GFCCVEGCSA-N 2 2 196.338 1.859 20 0 ADADLP c1[nH]c(C[NH2+]C2CCSCC2)c[nH+]1 82432950 573037659 /nfs/dbraw/zinc/03/76/59/573037659.db2.gz TVPVCZHEQALOHC-UHFFFAOYSA-N 2 2 197.307 1.395 20 0 ADADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccon2)C1 88052850 573054543 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XZWXKSCYXWYVSG-VHSXEESVSA-N 2 2 193.294 1.422 20 0 ADADLP Cc1cc[nH+]cc1C1CC[NH2+]CC1 82869195 573248667 /nfs/dbraw/zinc/24/86/67/573248667.db2.gz XSJDMSOYLAQPTO-UHFFFAOYSA-N 2 2 176.263 1.857 20 0 ADADLP [NH3+]CC[NH2+]C/C=C\c1ccccc1 200956600 573264303 /nfs/dbraw/zinc/26/43/03/573264303.db2.gz LONCNVMFCFIQBK-DAXSKMNVSA-N 2 2 176.263 1.248 20 0 ADADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)O 393514464 573295032 /nfs/dbraw/zinc/29/50/32/573295032.db2.gz ZQVYSTASMXYTOL-VIFPVBQESA-N 2 2 197.282 1.049 20 0 ADADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)O 393514461 573295287 /nfs/dbraw/zinc/29/52/87/573295287.db2.gz ZQVYSTASMXYTOL-SECBINFHSA-N 2 2 197.282 1.049 20 0 ADADLP C[C@H]1CC[C@H]1[NH2+][C@H](C)Cn1cc[nH+]c1 308542159 573297524 /nfs/dbraw/zinc/29/75/24/573297524.db2.gz OHHDEDFTZTZDDT-HBNTYKKESA-N 2 2 193.294 1.660 20 0 ADADLP C[C@@H](C[NH2+][C@@H]1CC[C@H]1C)[N@H+](C)C1CC1 308553583 573323528 /nfs/dbraw/zinc/32/35/28/573323528.db2.gz TZOAVPBLNKQOGB-JFGNBEQYSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@@H](C[NH2+][C@@H]1CC[C@H]1C)[N@@H+](C)C1CC1 308553583 573323529 /nfs/dbraw/zinc/32/35/29/573323529.db2.gz TZOAVPBLNKQOGB-JFGNBEQYSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@@H]1C[NH2+][C@@H](c2ccccc2)[C@@H]([NH3+])C1 143640760 573340865 /nfs/dbraw/zinc/34/08/65/573340865.db2.gz FYXJYIVKIOJESY-DLOVCJGASA-N 2 2 190.290 1.684 20 0 ADADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@H+](C)C1 133284513 573388231 /nfs/dbraw/zinc/38/82/31/573388231.db2.gz HHSBFWHUGJPUFM-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C)C1 133284513 573388236 /nfs/dbraw/zinc/38/82/36/573388236.db2.gz HHSBFWHUGJPUFM-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP OCCCCCC[NH2+]Cc1c[nH+]c[nH]1 133608620 573415157 /nfs/dbraw/zinc/41/51/57/573415157.db2.gz MBUYPQDQCJJXOW-UHFFFAOYSA-N 2 2 197.282 1.052 20 0 ADADLP C[C@@H](C[NH3+])[N@H+](C)CCc1cccs1 86440711 573425738 /nfs/dbraw/zinc/42/57/38/573425738.db2.gz IBPUAIVLIMACEW-VIFPVBQESA-N 2 2 198.335 1.570 20 0 ADADLP C[C@@H](C[NH3+])[N@@H+](C)CCc1cccs1 86440711 573425746 /nfs/dbraw/zinc/42/57/46/573425746.db2.gz IBPUAIVLIMACEW-VIFPVBQESA-N 2 2 198.335 1.570 20 0 ADADLP C[C@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 308588956 573449000 /nfs/dbraw/zinc/44/90/00/573449000.db2.gz JMVHBYNIJKQTAE-WDEREUQCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 308588954 573449401 /nfs/dbraw/zinc/44/94/01/573449401.db2.gz JMVHBYNIJKQTAE-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 308588955 573449417 /nfs/dbraw/zinc/44/94/17/573449417.db2.gz JMVHBYNIJKQTAE-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 308588953 573450157 /nfs/dbraw/zinc/45/01/57/573450157.db2.gz JMVHBYNIJKQTAE-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP CCCCC[N@H+](C)CC[NH2+]C 94249447 573477928 /nfs/dbraw/zinc/47/79/28/573477928.db2.gz NGXHARKQFYURDS-UHFFFAOYSA-N 2 2 158.289 1.328 20 0 ADADLP CCCCC[N@@H+](C)CC[NH2+]C 94249447 573477938 /nfs/dbraw/zinc/47/79/38/573477938.db2.gz NGXHARKQFYURDS-UHFFFAOYSA-N 2 2 158.289 1.328 20 0 ADADLP Cc1ccsc1C[N@@H+](C)C[C@H](C)[NH3+] 258677597 573484489 /nfs/dbraw/zinc/48/44/89/573484489.db2.gz DLCPKNWFRWELFM-VIFPVBQESA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccsc1C[N@H+](C)C[C@H](C)[NH3+] 258677597 573484495 /nfs/dbraw/zinc/48/44/95/573484495.db2.gz DLCPKNWFRWELFM-VIFPVBQESA-N 2 2 198.335 1.836 20 0 ADADLP CC(C)C(C)(C)[NH2+]Cc1c[nH+]c[nH]1 393585593 573502122 /nfs/dbraw/zinc/50/21/22/573502122.db2.gz RCTLMQPYRKXKHO-UHFFFAOYSA-N 2 2 181.283 1.934 20 0 ADADLP C[C@H]1C[C@H]1C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 393667068 573543486 /nfs/dbraw/zinc/54/34/86/573543486.db2.gz MCAFMXVWCWUMAA-WOPDTQHZSA-N 2 2 196.338 1.574 20 0 ADADLP C[C@H]1C[C@H]1C[NH2+]CC[N@H+]1CC[C@@H](C)C1 393667068 573543492 /nfs/dbraw/zinc/54/34/92/573543492.db2.gz MCAFMXVWCWUMAA-WOPDTQHZSA-N 2 2 196.338 1.574 20 0 ADADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2C[C@H]2C)C1 393667066 573544062 /nfs/dbraw/zinc/54/40/62/573544062.db2.gz MCAFMXVWCWUMAA-UTUOFQBUSA-N 2 2 196.338 1.574 20 0 ADADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2C[C@H]2C)C1 393667066 573544068 /nfs/dbraw/zinc/54/40/68/573544068.db2.gz MCAFMXVWCWUMAA-UTUOFQBUSA-N 2 2 196.338 1.574 20 0 ADADLP C[C@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 393667062 573544125 /nfs/dbraw/zinc/54/41/25/573544125.db2.gz MCAFMXVWCWUMAA-GRYCIOLGSA-N 2 2 196.338 1.574 20 0 ADADLP C[C@H]1C[C@@H]1C[NH2+]CC[N@H+]1CC[C@@H](C)C1 393667062 573544133 /nfs/dbraw/zinc/54/41/33/573544133.db2.gz MCAFMXVWCWUMAA-GRYCIOLGSA-N 2 2 196.338 1.574 20 0 ADADLP c1[nH]c(C[NH2+]CCC2CCC2)c[nH+]1 130351752 573553785 /nfs/dbraw/zinc/55/37/85/573553785.db2.gz LVQQFDFTPPHIFG-UHFFFAOYSA-N 2 2 179.267 1.690 20 0 ADADLP CO[C@H](C[NH2+]Cc1c[nH+]c[nH]1)C(C)C 308621845 573562253 /nfs/dbraw/zinc/56/22/53/573562253.db2.gz UFEOCZFZXNGMPM-SNVBAGLBSA-N 2 2 197.282 1.170 20 0 ADADLP CO[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)C(C)C 308621844 573564926 /nfs/dbraw/zinc/56/49/26/573564926.db2.gz UFEOCZFZXNGMPM-JTQLQIEISA-N 2 2 197.282 1.170 20 0 ADADLP 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308665177 573660754 /nfs/dbraw/zinc/66/07/54/573660754.db2.gz SBZZPPCAMFMZRE-IJLUTSLNSA-N 2 2 196.338 1.716 20 0 ADADLP COCC(C)(C)C[NH2+]Cc1c[nH+]c[nH]1 308661712 573670971 /nfs/dbraw/zinc/67/09/71/573670971.db2.gz QEKVWRLGJNGLMR-UHFFFAOYSA-N 2 2 197.282 1.172 20 0 ADADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H]1C 393551557 573699196 /nfs/dbraw/zinc/69/91/96/573699196.db2.gz SOLPWCZFRDIYRN-WDEREUQCSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)CS1 86936319 573704385 /nfs/dbraw/zinc/70/43/85/573704385.db2.gz KPEAJSXWRDRNKY-SFYZADRCSA-N 2 2 197.307 1.393 20 0 ADADLP c1[nH]c(C[NH2+][C@H]2CCCOCC2)c[nH+]1 84081041 573760790 /nfs/dbraw/zinc/76/07/90/573760790.db2.gz ITVORSCTDIXLCR-VIFPVBQESA-N 2 2 195.266 1.068 20 0 ADADLP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)CCO1 84081012 573761080 /nfs/dbraw/zinc/76/10/80/573761080.db2.gz GTIGROWWYSKCPD-RKDXNWHRSA-N 2 2 195.266 1.067 20 0 ADADLP C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1 84080997 573761268 /nfs/dbraw/zinc/76/12/68/573761268.db2.gz JSZLPIPUTXATNZ-IUCAKERBSA-N 2 2 179.267 1.688 20 0 ADADLP C[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1 84080999 573763555 /nfs/dbraw/zinc/76/35/55/573763555.db2.gz JSZLPIPUTXATNZ-DTWKUNHWSA-N 2 2 179.267 1.688 20 0 ADADLP Cc1cccc(NCc2c[nH+]c[nH]2)[nH+]1 84081286 573761349 /nfs/dbraw/zinc/76/13/49/573761349.db2.gz YYMFEAGOCAZEKS-UHFFFAOYSA-N 2 2 188.234 1.725 20 0 ADADLP Cc1cccc(NCc2c[nH]c[nH+]2)[nH+]1 84081286 573761354 /nfs/dbraw/zinc/76/13/54/573761354.db2.gz YYMFEAGOCAZEKS-UHFFFAOYSA-N 2 2 188.234 1.725 20 0 ADADLP Cc1ccc(NCc2c[nH+]c[nH]2)[nH+]c1 84081350 573761742 /nfs/dbraw/zinc/76/17/42/573761742.db2.gz UKVSVIUUWUUIAK-UHFFFAOYSA-N 2 2 188.234 1.725 20 0 ADADLP C[C@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)CCO1 84081013 573761908 /nfs/dbraw/zinc/76/19/08/573761908.db2.gz GTIGROWWYSKCPD-DTWKUNHWSA-N 2 2 195.266 1.067 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1 84080998 573761936 /nfs/dbraw/zinc/76/19/36/573761936.db2.gz JSZLPIPUTXATNZ-RKDXNWHRSA-N 2 2 179.267 1.688 20 0 ADADLP Cc1ccc[nH+]c1NCc1c[nH+]c[nH]1 84081302 573762015 /nfs/dbraw/zinc/76/20/15/573762015.db2.gz OUNVGIJMYZMVCM-UHFFFAOYSA-N 2 2 188.234 1.725 20 0 ADADLP c1[nH]c(C[NH2+][C@@H]2CCCSC2)c[nH+]1 84081033 573762040 /nfs/dbraw/zinc/76/20/40/573762040.db2.gz XPAAKSHRJYTOSM-MRVPVSSYSA-N 2 2 197.307 1.395 20 0 ADADLP c1[nH]c(C[NH2+][C@H]2CCSC2)c[nH+]1 84080827 573763416 /nfs/dbraw/zinc/76/34/16/573763416.db2.gz FNTLILDDTNKTLW-ZETCQYMHSA-N 2 2 183.280 1.005 20 0 ADADLP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CCO1 84081014 573765451 /nfs/dbraw/zinc/76/54/51/573765451.db2.gz GTIGROWWYSKCPD-BDAKNGLRSA-N 2 2 195.266 1.067 20 0 ADADLP C[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CCO1 84081015 573765875 /nfs/dbraw/zinc/76/58/75/573765875.db2.gz GTIGROWWYSKCPD-IUCAKERBSA-N 2 2 195.266 1.067 20 0 ADADLP c1[nH]c(C[NH2+][C@@H]2CCCOCC2)c[nH+]1 84081040 573765947 /nfs/dbraw/zinc/76/59/47/573765947.db2.gz ITVORSCTDIXLCR-SECBINFHSA-N 2 2 195.266 1.068 20 0 ADADLP c1[nH]c(C[NH2+][C@@H]2CCSC2)c[nH+]1 84080826 573766002 /nfs/dbraw/zinc/76/60/02/573766002.db2.gz FNTLILDDTNKTLW-SSDOTTSWSA-N 2 2 183.280 1.005 20 0 ADADLP CCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C 308752599 573824270 /nfs/dbraw/zinc/82/42/70/573824270.db2.gz VAMBGNNSXWGFJT-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP CCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C 308752599 573824277 /nfs/dbraw/zinc/82/42/77/573824277.db2.gz VAMBGNNSXWGFJT-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP C1=CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)CC1 80122758 573881570 /nfs/dbraw/zinc/88/15/70/573881570.db2.gz OQSOOMVEMGPPLJ-VIFPVBQESA-N 2 2 177.251 1.608 20 0 ADADLP CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44684956 573916287 /nfs/dbraw/zinc/91/62/87/573916287.db2.gz HHFXZXKHTFBJBH-SNVBAGLBSA-N 2 2 182.311 1.613 20 0 ADADLP CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44684956 573916292 /nfs/dbraw/zinc/91/62/92/573916292.db2.gz HHFXZXKHTFBJBH-SNVBAGLBSA-N 2 2 182.311 1.613 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccccn1 308463728 573923342 /nfs/dbraw/zinc/92/33/42/573923342.db2.gz GKQQVGYKODNXTN-NXEZZACHSA-N 2 2 193.294 1.422 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccccn1 308463728 573923350 /nfs/dbraw/zinc/92/33/50/573923350.db2.gz GKQQVGYKODNXTN-NXEZZACHSA-N 2 2 193.294 1.422 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)[C@H](C)c1ccccn1 308463730 573925166 /nfs/dbraw/zinc/92/51/66/573925166.db2.gz GKQQVGYKODNXTN-VHSXEESVSA-N 2 2 193.294 1.422 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccccn1 308463730 573925170 /nfs/dbraw/zinc/92/51/70/573925170.db2.gz GKQQVGYKODNXTN-VHSXEESVSA-N 2 2 193.294 1.422 20 0 ADADLP CC(C)CC[NH2+][C@H]1CC[N@H+](C2CC2)C1 44684012 573929060 /nfs/dbraw/zinc/92/90/60/573929060.db2.gz DLYDECGAHCUPKF-NSHDSACASA-N 2 2 196.338 1.859 20 0 ADADLP [NH3+]C1(C[NH2+]Cc2cccc(F)c2)CC1 259241549 573928270 /nfs/dbraw/zinc/92/82/70/573928270.db2.gz ZEXCBKCILCEUGD-UHFFFAOYSA-N 2 2 194.253 1.407 20 0 ADADLP c1[nH]c(C[NH2+]C[C@H]2CCCS2)c[nH+]1 87473125 573929062 /nfs/dbraw/zinc/92/90/62/573929062.db2.gz ACCATBOFFRGFBY-SECBINFHSA-N 2 2 197.307 1.395 20 0 ADADLP CC(C)CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44684012 573929058 /nfs/dbraw/zinc/92/90/58/573929058.db2.gz DLYDECGAHCUPKF-NSHDSACASA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@H+](CC1CC1)C[C@H]1CCC[NH2+]1 42491160 573962144 /nfs/dbraw/zinc/96/21/44/573962144.db2.gz JHMMRYNDNCNLDP-GFCCVEGCSA-N 2 2 196.338 1.860 20 0 ADADLP CCC[N@@H+](CC1CC1)C[C@H]1CCC[NH2+]1 42491160 573962150 /nfs/dbraw/zinc/96/21/50/573962150.db2.gz JHMMRYNDNCNLDP-GFCCVEGCSA-N 2 2 196.338 1.860 20 0 ADADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 42545770 573977682 /nfs/dbraw/zinc/97/76/82/573977682.db2.gz SCQIXIOKAHCFPF-QWRGUYRKSA-N 2 2 184.327 1.859 20 0 ADADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 42545770 573977685 /nfs/dbraw/zinc/97/76/85/573977685.db2.gz SCQIXIOKAHCFPF-QWRGUYRKSA-N 2 2 184.327 1.859 20 0 ADADLP CCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42545764 573977693 /nfs/dbraw/zinc/97/76/93/573977693.db2.gz SCQIXIOKAHCFPF-GHMZBOCLSA-N 2 2 184.327 1.859 20 0 ADADLP CCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42545764 573977699 /nfs/dbraw/zinc/97/76/99/573977699.db2.gz SCQIXIOKAHCFPF-GHMZBOCLSA-N 2 2 184.327 1.859 20 0 ADADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 42545768 573979179 /nfs/dbraw/zinc/97/91/79/573979179.db2.gz SCQIXIOKAHCFPF-MNOVXSKESA-N 2 2 184.327 1.859 20 0 ADADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 42545768 573979183 /nfs/dbraw/zinc/97/91/83/573979183.db2.gz SCQIXIOKAHCFPF-MNOVXSKESA-N 2 2 184.327 1.859 20 0 ADADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42545766 573980419 /nfs/dbraw/zinc/98/04/19/573980419.db2.gz SCQIXIOKAHCFPF-WDEREUQCSA-N 2 2 184.327 1.859 20 0 ADADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42545766 573980423 /nfs/dbraw/zinc/98/04/23/573980423.db2.gz SCQIXIOKAHCFPF-WDEREUQCSA-N 2 2 184.327 1.859 20 0 ADADLP Cc1csc(C[NH2+]C2CC([NH3+])C2)n1 87651708 573994143 /nfs/dbraw/zinc/99/41/43/573994143.db2.gz AQIMXJMZWOHSBK-UHFFFAOYSA-N 2 2 197.307 1.031 20 0 ADADLP Cc1nc(C[NH2+]C2CC([NH3+])C2)cs1 87651736 573997354 /nfs/dbraw/zinc/99/73/54/573997354.db2.gz APZYCOPBKBHXFA-UHFFFAOYSA-N 2 2 197.307 1.031 20 0 ADADLP C[NH2+]CC[N@H+](C)CCC(C)(C)C 49254917 574026897 /nfs/dbraw/zinc/02/68/97/574026897.db2.gz OJDDZPVJIKBRGT-UHFFFAOYSA-N 2 2 172.316 1.574 20 0 ADADLP C[NH2+]CC[N@@H+](C)CCC(C)(C)C 49254917 574026898 /nfs/dbraw/zinc/02/68/98/574026898.db2.gz OJDDZPVJIKBRGT-UHFFFAOYSA-N 2 2 172.316 1.574 20 0 ADADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 87771321 574027041 /nfs/dbraw/zinc/02/70/41/574027041.db2.gz NMAICCUWQNGRGZ-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 87771321 574027044 /nfs/dbraw/zinc/02/70/44/574027044.db2.gz NMAICCUWQNGRGZ-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 87771326 574027235 /nfs/dbraw/zinc/02/72/35/574027235.db2.gz NMAICCUWQNGRGZ-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 87771326 574027238 /nfs/dbraw/zinc/02/72/38/574027238.db2.gz NMAICCUWQNGRGZ-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCF 87774061 574028682 /nfs/dbraw/zinc/02/86/82/574028682.db2.gz NZYZXQXJWOBEGD-BDAKNGLRSA-N 2 2 174.263 1.158 20 0 ADADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCF 87774061 574028683 /nfs/dbraw/zinc/02/86/83/574028683.db2.gz NZYZXQXJWOBEGD-BDAKNGLRSA-N 2 2 174.263 1.158 20 0 ADADLP CC[C@H]([NH3+])C[NH2+]Cc1cnc(C)s1 49538907 574042870 /nfs/dbraw/zinc/04/28/70/574042870.db2.gz XJHLYZPFGMJWOE-QMMMGPOBSA-N 2 2 199.323 1.278 20 0 ADADLP Cc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 20226746 486714028 /nfs/dbraw/zinc/71/40/28/486714028.db2.gz LTLJOBSEEHERBN-NSHDSACASA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 20226746 486714033 /nfs/dbraw/zinc/71/40/33/486714033.db2.gz LTLJOBSEEHERBN-NSHDSACASA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1 20264718 486714049 /nfs/dbraw/zinc/71/40/49/486714049.db2.gz ACRPAAZDKIJUTQ-LLVKDONJSA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1 20264718 486714053 /nfs/dbraw/zinc/71/40/53/486714053.db2.gz ACRPAAZDKIJUTQ-LLVKDONJSA-N 2 2 192.306 1.774 20 0 ADADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(F)c1 20226751 486714068 /nfs/dbraw/zinc/71/40/68/486714068.db2.gz SXUQBPQHDHVTCX-SECBINFHSA-N 2 2 196.269 1.605 20 0 ADADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(F)c1 20226751 486714070 /nfs/dbraw/zinc/71/40/70/486714070.db2.gz SXUQBPQHDHVTCX-SECBINFHSA-N 2 2 196.269 1.605 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(F)c1 20293318 486714364 /nfs/dbraw/zinc/71/43/64/486714364.db2.gz PBPMSSWLPNZXIH-VIFPVBQESA-N 2 2 196.269 1.605 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(F)c1 20293318 486714370 /nfs/dbraw/zinc/71/43/70/486714370.db2.gz PBPMSSWLPNZXIH-VIFPVBQESA-N 2 2 196.269 1.605 20 0 ADADLP Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 20264720 486714626 /nfs/dbraw/zinc/71/46/26/486714626.db2.gz ACRPAAZDKIJUTQ-NSHDSACASA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 20264720 486714632 /nfs/dbraw/zinc/71/46/32/486714632.db2.gz ACRPAAZDKIJUTQ-NSHDSACASA-N 2 2 192.306 1.774 20 0 ADADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(F)cc1 20226753 486714698 /nfs/dbraw/zinc/71/46/98/486714698.db2.gz OPQOIFYADKSMNU-SECBINFHSA-N 2 2 196.269 1.605 20 0 ADADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(F)cc1 20226753 486714704 /nfs/dbraw/zinc/71/47/04/486714704.db2.gz OPQOIFYADKSMNU-SECBINFHSA-N 2 2 196.269 1.605 20 0 ADADLP Cc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 20226747 486714728 /nfs/dbraw/zinc/71/47/28/486714728.db2.gz LTLJOBSEEHERBN-LLVKDONJSA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 20226747 486714735 /nfs/dbraw/zinc/71/47/35/486714735.db2.gz LTLJOBSEEHERBN-LLVKDONJSA-N 2 2 192.306 1.774 20 0 ADADLP C[N@H+](CCC[NH3+])Cc1ccccc1F 36127865 486717339 /nfs/dbraw/zinc/71/73/39/486717339.db2.gz JTIMTWGEACCVRU-UHFFFAOYSA-N 2 2 196.269 1.606 20 0 ADADLP C[N@@H+](CCC[NH3+])Cc1ccccc1F 36127865 486717342 /nfs/dbraw/zinc/71/73/42/486717342.db2.gz JTIMTWGEACCVRU-UHFFFAOYSA-N 2 2 196.269 1.606 20 0 ADADLP CCc1ccc(C[N@H+](C)CC[NH3+])s1 37267999 486719247 /nfs/dbraw/zinc/71/92/47/486719247.db2.gz SFUVRYPTNBDWRD-UHFFFAOYSA-N 2 2 198.335 1.701 20 0 ADADLP CCc1ccc(C[N@@H+](C)CC[NH3+])s1 37267999 486719251 /nfs/dbraw/zinc/71/92/51/486719251.db2.gz SFUVRYPTNBDWRD-UHFFFAOYSA-N 2 2 198.335 1.701 20 0 ADADLP C[NH2+]CCC[N@H+](C)Cc1cccnc1 42409615 486724913 /nfs/dbraw/zinc/72/49/13/486724913.db2.gz XDLVMFUYJBVTKY-UHFFFAOYSA-N 2 2 193.294 1.123 20 0 ADADLP C[NH2+]CCC[N@@H+](C)Cc1cccnc1 42409615 486724916 /nfs/dbraw/zinc/72/49/16/486724916.db2.gz XDLVMFUYJBVTKY-UHFFFAOYSA-N 2 2 193.294 1.123 20 0 ADADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C 42409135 486725423 /nfs/dbraw/zinc/72/54/23/486725423.db2.gz ZLHJXGWZINADGE-SNVBAGLBSA-N 2 2 184.327 1.859 20 0 ADADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C 42409135 486725429 /nfs/dbraw/zinc/72/54/29/486725429.db2.gz ZLHJXGWZINADGE-SNVBAGLBSA-N 2 2 184.327 1.859 20 0 ADADLP C[NH2+]CCC[N@@H+](C)Cc1ccccn1 42409605 486725984 /nfs/dbraw/zinc/72/59/84/486725984.db2.gz DQUQGZHWMGNPTP-UHFFFAOYSA-N 2 2 193.294 1.123 20 0 ADADLP C[NH2+]CCC[N@H+](C)Cc1ccsc1 42409551 486725461 /nfs/dbraw/zinc/72/54/61/486725461.db2.gz QBVOOHLIDPHPGE-UHFFFAOYSA-N 2 2 198.335 1.789 20 0 ADADLP C[NH2+]CCC[N@@H+](C)Cc1ccsc1 42409551 486725466 /nfs/dbraw/zinc/72/54/66/486725466.db2.gz QBVOOHLIDPHPGE-UHFFFAOYSA-N 2 2 198.335 1.789 20 0 ADADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C 42409136 486725594 /nfs/dbraw/zinc/72/55/94/486725594.db2.gz ZLHJXGWZINADGE-JTQLQIEISA-N 2 2 184.327 1.859 20 0 ADADLP C[C@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C 42409136 486725599 /nfs/dbraw/zinc/72/55/99/486725599.db2.gz ZLHJXGWZINADGE-JTQLQIEISA-N 2 2 184.327 1.859 20 0 ADADLP CCC[N@H+](C)CC[NH2+]C(C)(C)C 42409518 486725783 /nfs/dbraw/zinc/72/57/83/486725783.db2.gz MWVCOVVPEBDKAS-UHFFFAOYSA-N 2 2 172.316 1.716 20 0 ADADLP CCC[N@@H+](C)CC[NH2+]C(C)(C)C 42409518 486725786 /nfs/dbraw/zinc/72/57/86/486725786.db2.gz MWVCOVVPEBDKAS-UHFFFAOYSA-N 2 2 172.316 1.716 20 0 ADADLP C[NH2+]CCC[N@H+](C)Cc1ccccn1 42409605 486725978 /nfs/dbraw/zinc/72/59/78/486725978.db2.gz DQUQGZHWMGNPTP-UHFFFAOYSA-N 2 2 193.294 1.123 20 0 ADADLP C[NH+](C)C1(C[NH2+]CC2(C)CC2)CC1 669575086 486726385 /nfs/dbraw/zinc/72/63/85/486726385.db2.gz FEBMNCPRBMHYQV-UHFFFAOYSA-N 2 2 182.311 1.470 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+]CC1([NH+](C)C)CC1 669575082 486726536 /nfs/dbraw/zinc/72/65/36/486726536.db2.gz DUSIQBHJFLVWSD-NXEZZACHSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@H]1C[C@@H]1C[NH2+]CC1([NH+](C)C)CC1 669575084 486726655 /nfs/dbraw/zinc/72/66/55/486726655.db2.gz DUSIQBHJFLVWSD-VHSXEESVSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@H]1C[C@H]1C[NH2+]CC1([NH+](C)C)CC1 669575083 486727167 /nfs/dbraw/zinc/72/71/67/486727167.db2.gz DUSIQBHJFLVWSD-UWVGGRQHSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+]CC1([NH+](C)C)CC1 669575085 486727251 /nfs/dbraw/zinc/72/72/51/486727251.db2.gz DUSIQBHJFLVWSD-ZJUUUORDSA-N 2 2 182.311 1.326 20 0 ADADLP C[N@H+](CC[NH2+]C(C)(C)C)CC1CC1 44381152 486728276 /nfs/dbraw/zinc/72/82/76/486728276.db2.gz IPJCRTSBRXOYGX-UHFFFAOYSA-N 2 2 184.327 1.716 20 0 ADADLP C[N@@H+](CC[NH2+]C(C)(C)C)CC1CC1 44381152 486728280 /nfs/dbraw/zinc/72/82/80/486728280.db2.gz IPJCRTSBRXOYGX-UHFFFAOYSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CC1 44684344 486729165 /nfs/dbraw/zinc/72/91/65/486729165.db2.gz QRMKPPBDRSHWMM-ONGXEEELSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CC1 44684344 486729167 /nfs/dbraw/zinc/72/91/67/486729167.db2.gz QRMKPPBDRSHWMM-ONGXEEELSA-N 2 2 194.322 1.611 20 0 ADADLP CCC[NH2+]CC[NH2+]Cc1cccs1 44651720 486729189 /nfs/dbraw/zinc/72/91/89/486729189.db2.gz XHBWBGQGCQMSKQ-UHFFFAOYSA-N 2 2 198.335 1.837 20 0 ADADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 44684339 486730096 /nfs/dbraw/zinc/73/00/96/486730096.db2.gz QRMKPPBDRSHWMM-GXSJLCMTSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CC1 44684339 486730097 /nfs/dbraw/zinc/73/00/97/486730097.db2.gz QRMKPPBDRSHWMM-GXSJLCMTSA-N 2 2 194.322 1.611 20 0 ADADLP CCC[NH2+]CC[NH2+]Cc1cccnc1 49475223 486731871 /nfs/dbraw/zinc/73/18/71/486731871.db2.gz ZNESGGFAHCOHOS-UHFFFAOYSA-N 2 2 193.294 1.171 20 0 ADADLP CCC[NH2+]CC[NH2+]Cc1ccncc1 49474880 486731909 /nfs/dbraw/zinc/73/19/09/486731909.db2.gz XTPMRMDDRHTUIH-UHFFFAOYSA-N 2 2 193.294 1.171 20 0 ADADLP Cc1ccc(C)c(C[N@H+](C)CC[NH3+])c1 49256697 486732218 /nfs/dbraw/zinc/73/22/18/486732218.db2.gz HQEBBCXGYXDVOH-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP Cc1ccc(C)c(C[N@@H+](C)CC[NH3+])c1 49256697 486732219 /nfs/dbraw/zinc/73/22/19/486732219.db2.gz HQEBBCXGYXDVOH-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP Cc1csc(C[NH2+]CC(C)(C)[NH3+])n1 49539129 486732322 /nfs/dbraw/zinc/73/23/22/486732322.db2.gz DZOBAFAOHULGTO-UHFFFAOYSA-N 2 2 199.323 1.278 20 0 ADADLP Cc1ccc(C[N@H+](C)CC[NH3+])cc1C 49668696 486734498 /nfs/dbraw/zinc/73/44/98/486734498.db2.gz YKEAKDQSOZHEEY-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP Cc1ccc(C[N@@H+](C)CC[NH3+])cc1C 49668696 486734499 /nfs/dbraw/zinc/73/44/99/486734499.db2.gz YKEAKDQSOZHEEY-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP C[NH2+]CC[NH2+]Cc1ccc(C)s1 50226807 486736899 /nfs/dbraw/zinc/73/68/99/486736899.db2.gz CBBXXMDUCOLHQK-UHFFFAOYSA-N 2 2 184.308 1.366 20 0 ADADLP CCC[N@H+](CC1CC1)[C@H]1CC[NH2+]C1 51783223 486741139 /nfs/dbraw/zinc/74/11/39/486741139.db2.gz DJHKNVPFCKTZAQ-NSHDSACASA-N 2 2 182.311 1.470 20 0 ADADLP CCC[N@@H+](CC1CC1)[C@H]1CC[NH2+]C1 51783223 486741143 /nfs/dbraw/zinc/74/11/43/486741143.db2.gz DJHKNVPFCKTZAQ-NSHDSACASA-N 2 2 182.311 1.470 20 0 ADADLP CCC[N@H+](CC1CC1)[C@@H]1CC[NH2+]C1 51783221 486741277 /nfs/dbraw/zinc/74/12/77/486741277.db2.gz DJHKNVPFCKTZAQ-LLVKDONJSA-N 2 2 182.311 1.470 20 0 ADADLP CCC[N@@H+](CC1CC1)[C@@H]1CC[NH2+]C1 51783221 486741280 /nfs/dbraw/zinc/74/12/80/486741280.db2.gz DJHKNVPFCKTZAQ-LLVKDONJSA-N 2 2 182.311 1.470 20 0 ADADLP CC(C)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 52445184 486745909 /nfs/dbraw/zinc/74/59/09/486745909.db2.gz ILPXNRYYUVEWKH-JTQLQIEISA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 52445171 486745858 /nfs/dbraw/zinc/74/58/58/486745858.db2.gz UPHBZODHFPSDPY-SECBINFHSA-N 2 2 170.300 1.467 20 0 ADADLP CC(C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 52445171 486745861 /nfs/dbraw/zinc/74/58/61/486745861.db2.gz UPHBZODHFPSDPY-SECBINFHSA-N 2 2 170.300 1.467 20 0 ADADLP CC[N@H+](CC[NH2+]CC(C)C)C1CC1 52451861 486745897 /nfs/dbraw/zinc/74/58/97/486745897.db2.gz FKCTWDWCQIPKAJ-UHFFFAOYSA-N 2 2 184.327 1.716 20 0 ADADLP CC[N@@H+](CC[NH2+]CC(C)C)C1CC1 52451861 486745899 /nfs/dbraw/zinc/74/58/99/486745899.db2.gz FKCTWDWCQIPKAJ-UHFFFAOYSA-N 2 2 184.327 1.716 20 0 ADADLP CC(C)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 52445184 486745911 /nfs/dbraw/zinc/74/59/11/486745911.db2.gz ILPXNRYYUVEWKH-JTQLQIEISA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)C[NH2+]CC[N@@H+]1CCC[C@H](C)C1 52381183 486746087 /nfs/dbraw/zinc/74/60/87/486746087.db2.gz HMAYBYBQLYUFSA-LBPRGKRZSA-N 2 2 198.354 1.964 20 0 ADADLP CC(C)C[NH2+]CC[N@H+]1CCC[C@H](C)C1 52381183 486746091 /nfs/dbraw/zinc/74/60/91/486746091.db2.gz HMAYBYBQLYUFSA-LBPRGKRZSA-N 2 2 198.354 1.964 20 0 ADADLP CC(C)C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 52381182 486746116 /nfs/dbraw/zinc/74/61/16/486746116.db2.gz HMAYBYBQLYUFSA-GFCCVEGCSA-N 2 2 198.354 1.964 20 0 ADADLP CC(C)C[NH2+]CC[N@H+]1CCC[C@@H](C)C1 52381182 486746122 /nfs/dbraw/zinc/74/61/22/486746122.db2.gz HMAYBYBQLYUFSA-GFCCVEGCSA-N 2 2 198.354 1.964 20 0 ADADLP CCCC[N@H+](C)CC[NH2+]CC(C)C 52417910 486746165 /nfs/dbraw/zinc/74/61/65/486746165.db2.gz XZVUAGWVANGPBY-UHFFFAOYSA-N 2 2 186.343 1.964 20 0 ADADLP CCCC[N@@H+](C)CC[NH2+]CC(C)C 52417910 486746173 /nfs/dbraw/zinc/74/61/73/486746173.db2.gz XZVUAGWVANGPBY-UHFFFAOYSA-N 2 2 186.343 1.964 20 0 ADADLP CC(C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 52445172 486746214 /nfs/dbraw/zinc/74/62/14/486746214.db2.gz UPHBZODHFPSDPY-VIFPVBQESA-N 2 2 170.300 1.467 20 0 ADADLP CC(C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 52445172 486746217 /nfs/dbraw/zinc/74/62/17/486746217.db2.gz UPHBZODHFPSDPY-VIFPVBQESA-N 2 2 170.300 1.467 20 0 ADADLP CC(C)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 52484346 486746311 /nfs/dbraw/zinc/74/63/11/486746311.db2.gz ZZSKYFVBQSZEGR-LLVKDONJSA-N 2 2 184.327 1.574 20 0 ADADLP CC(C)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 52484346 486746318 /nfs/dbraw/zinc/74/63/18/486746318.db2.gz ZZSKYFVBQSZEGR-LLVKDONJSA-N 2 2 184.327 1.574 20 0 ADADLP CC(C)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 52484347 486746473 /nfs/dbraw/zinc/74/64/73/486746473.db2.gz ZZSKYFVBQSZEGR-NSHDSACASA-N 2 2 184.327 1.574 20 0 ADADLP CC(C)C[NH2+]CC[N@H+]1CC[C@H](C)C1 52484347 486746478 /nfs/dbraw/zinc/74/64/78/486746478.db2.gz ZZSKYFVBQSZEGR-NSHDSACASA-N 2 2 184.327 1.574 20 0 ADADLP CC(C)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 52575623 486746656 /nfs/dbraw/zinc/74/66/56/486746656.db2.gz WFNDMAUEJGYMLQ-NSHDSACASA-N 2 2 195.310 1.765 20 0 ADADLP CC(C)C[NH2+]CC[N@H+](C)C(C)C 52419524 486746740 /nfs/dbraw/zinc/74/67/40/486746740.db2.gz UQPLATIQLKLMRD-UHFFFAOYSA-N 2 2 172.316 1.572 20 0 ADADLP CC(C)C[NH2+]CC[N@@H+](C)C(C)C 52419524 486746743 /nfs/dbraw/zinc/74/67/43/486746743.db2.gz UQPLATIQLKLMRD-UHFFFAOYSA-N 2 2 172.316 1.572 20 0 ADADLP CC(C)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 52445182 486746755 /nfs/dbraw/zinc/74/67/55/486746755.db2.gz ILPXNRYYUVEWKH-SNVBAGLBSA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 52445182 486746758 /nfs/dbraw/zinc/74/67/58/486746758.db2.gz ILPXNRYYUVEWKH-SNVBAGLBSA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 52575622 486746810 /nfs/dbraw/zinc/74/68/10/486746810.db2.gz WFNDMAUEJGYMLQ-LLVKDONJSA-N 2 2 195.310 1.765 20 0 ADADLP CC(C)[C@H](C)[NH2+]CC[N@H+](C)C(C)C 53344177 486748048 /nfs/dbraw/zinc/74/80/48/486748048.db2.gz FIONEUVNDHNTFH-NSHDSACASA-N 2 2 186.343 1.961 20 0 ADADLP CC(C)[C@H](C)[NH2+]CC[N@@H+](C)C(C)C 53344177 486748051 /nfs/dbraw/zinc/74/80/51/486748051.db2.gz FIONEUVNDHNTFH-NSHDSACASA-N 2 2 186.343 1.961 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CC[N@H+](C)C(C)C 53344176 486748236 /nfs/dbraw/zinc/74/82/36/486748236.db2.gz FIONEUVNDHNTFH-LLVKDONJSA-N 2 2 186.343 1.961 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C 53344176 486748242 /nfs/dbraw/zinc/74/82/42/486748242.db2.gz FIONEUVNDHNTFH-LLVKDONJSA-N 2 2 186.343 1.961 20 0 ADADLP CC(C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 53389674 486748881 /nfs/dbraw/zinc/74/88/81/486748881.db2.gz ITHGWFQIEXWRPC-RYUDHWBXSA-N 2 2 198.354 1.962 20 0 ADADLP CC(C)[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 53389674 486748886 /nfs/dbraw/zinc/74/88/86/486748886.db2.gz ITHGWFQIEXWRPC-RYUDHWBXSA-N 2 2 198.354 1.962 20 0 ADADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)C1CC1 53344185 486748893 /nfs/dbraw/zinc/74/88/93/486748893.db2.gz PZVWCLRDENTZNT-JTQLQIEISA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C1CC1 53344185 486748897 /nfs/dbraw/zinc/74/88/97/486748897.db2.gz PZVWCLRDENTZNT-JTQLQIEISA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C1CC1 53344186 486748923 /nfs/dbraw/zinc/74/89/23/486748923.db2.gz PZVWCLRDENTZNT-SNVBAGLBSA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C1CC1 53344186 486748925 /nfs/dbraw/zinc/74/89/25/486748925.db2.gz PZVWCLRDENTZNT-SNVBAGLBSA-N 2 2 184.327 1.715 20 0 ADADLP CC[N@H+](CC[NH2+][C@@H](C)C1CC1)C1CC1 53377355 486749004 /nfs/dbraw/zinc/74/90/04/486749004.db2.gz FOHXLWWXYRAPOO-JTQLQIEISA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+](CC[NH2+][C@@H](C)C1CC1)C1CC1 53377355 486749011 /nfs/dbraw/zinc/74/90/11/486749011.db2.gz FOHXLWWXYRAPOO-JTQLQIEISA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 53489381 486750379 /nfs/dbraw/zinc/75/03/79/486750379.db2.gz ZJLCAIVCOPVCEG-NXEZZACHSA-N 2 2 184.327 1.857 20 0 ADADLP CC[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 53489385 486749299 /nfs/dbraw/zinc/74/92/99/486749299.db2.gz ZJLCAIVCOPVCEG-ZJUUUORDSA-N 2 2 184.327 1.857 20 0 ADADLP CC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 53489385 486749303 /nfs/dbraw/zinc/74/93/03/486749303.db2.gz ZJLCAIVCOPVCEG-ZJUUUORDSA-N 2 2 184.327 1.857 20 0 ADADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccs1 53493343 486749388 /nfs/dbraw/zinc/74/93/88/486749388.db2.gz QKHOOESEILVCHY-SECBINFHSA-N 2 2 198.335 1.836 20 0 ADADLP CC[NH2+]CC[NH2+]Cc1sccc1C 53387935 486749447 /nfs/dbraw/zinc/74/94/47/486749447.db2.gz SJMWZGKSCWWIEH-UHFFFAOYSA-N 2 2 198.335 1.756 20 0 ADADLP CCC[C@H](C)[NH2+]CC[NH2+]CCOC 53388705 486749483 /nfs/dbraw/zinc/74/94/83/486749483.db2.gz NNNVBVKSWPHJFA-JTQLQIEISA-N 2 2 188.315 1.001 20 0 ADADLP CC[N@H+](CC[NH2+][C@H](C)C1CC1)C1CC1 53377357 486749521 /nfs/dbraw/zinc/74/95/21/486749521.db2.gz FOHXLWWXYRAPOO-SNVBAGLBSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+](CC[NH2+][C@H](C)C1CC1)C1CC1 53377357 486749526 /nfs/dbraw/zinc/74/95/26/486749526.db2.gz FOHXLWWXYRAPOO-SNVBAGLBSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 53389671 486749602 /nfs/dbraw/zinc/74/96/02/486749602.db2.gz ITHGWFQIEXWRPC-NEPJUHHUSA-N 2 2 198.354 1.962 20 0 ADADLP CC(C)[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 53389671 486749607 /nfs/dbraw/zinc/74/96/07/486749607.db2.gz ITHGWFQIEXWRPC-NEPJUHHUSA-N 2 2 198.354 1.962 20 0 ADADLP C[NH2+]CC[NH2+]Cc1sccc1C 53387803 486749903 /nfs/dbraw/zinc/74/99/03/486749903.db2.gz GFIUBMVASIGPHY-UHFFFAOYSA-N 2 2 184.308 1.366 20 0 ADADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC1 53389692 486749912 /nfs/dbraw/zinc/74/99/12/486749912.db2.gz BXMPPFCROBBNOX-MNOVXSKESA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC1 53389692 486749917 /nfs/dbraw/zinc/74/99/17/486749917.db2.gz BXMPPFCROBBNOX-MNOVXSKESA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](C)C2CC2)C1 53389694 486750094 /nfs/dbraw/zinc/75/00/94/486750094.db2.gz BXMPPFCROBBNOX-QWRGUYRKSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](C)C2CC2)C1 53389694 486750090 /nfs/dbraw/zinc/75/00/90/486750090.db2.gz BXMPPFCROBBNOX-QWRGUYRKSA-N 2 2 196.338 1.716 20 0 ADADLP CC[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 53489387 486750103 /nfs/dbraw/zinc/75/01/03/486750103.db2.gz ZJLCAIVCOPVCEG-UWVGGRQHSA-N 2 2 184.327 1.857 20 0 ADADLP CC[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 53489387 486750106 /nfs/dbraw/zinc/75/01/06/486750106.db2.gz ZJLCAIVCOPVCEG-UWVGGRQHSA-N 2 2 184.327 1.857 20 0 ADADLP CCC[C@@H](C)[NH2+]CC[NH2+]CCOC 53388704 486750235 /nfs/dbraw/zinc/75/02/35/486750235.db2.gz NNNVBVKSWPHJFA-SNVBAGLBSA-N 2 2 188.315 1.001 20 0 ADADLP CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 53489383 486750308 /nfs/dbraw/zinc/75/03/08/486750308.db2.gz ZJLCAIVCOPVCEG-VHSXEESVSA-N 2 2 184.327 1.857 20 0 ADADLP CC[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 53489383 486750302 /nfs/dbraw/zinc/75/03/02/486750302.db2.gz ZJLCAIVCOPVCEG-VHSXEESVSA-N 2 2 184.327 1.857 20 0 ADADLP CC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 53489381 486750375 /nfs/dbraw/zinc/75/03/75/486750375.db2.gz ZJLCAIVCOPVCEG-NXEZZACHSA-N 2 2 184.327 1.857 20 0 ADADLP CC(C)CCC[NH2+]CCn1cc[nH+]c1 53520497 486750778 /nfs/dbraw/zinc/75/07/78/486750778.db2.gz IUYXZHNPEIZRCM-UHFFFAOYSA-N 2 2 195.310 1.909 20 0 ADADLP C[C@H]([NH2+]CC[NH+](C)C)C1CCCC1 54077225 486754080 /nfs/dbraw/zinc/75/40/80/486754080.db2.gz ADVDKHVQBVIBIM-JTQLQIEISA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H](C)C[NH2+]CC[N@@H+](C)C(C)C 54111095 486754625 /nfs/dbraw/zinc/75/46/25/486754625.db2.gz OPDKWTVUMPHXGS-NSHDSACASA-N 2 2 186.343 1.962 20 0 ADADLP C[C@@H]([NH2+]CC[NH+](C)C)C1CCCC1 54077226 486754395 /nfs/dbraw/zinc/75/43/95/486754395.db2.gz ADVDKHVQBVIBIM-SNVBAGLBSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H](C)C[NH2+]CC[N@H+](C)C(C)C 54111095 486754621 /nfs/dbraw/zinc/75/46/21/486754621.db2.gz OPDKWTVUMPHXGS-NSHDSACASA-N 2 2 186.343 1.962 20 0 ADADLP CC[C@@H](C)C[NH2+]CC[N@H+](C)C(C)C 54111094 486754690 /nfs/dbraw/zinc/75/46/90/486754690.db2.gz OPDKWTVUMPHXGS-LLVKDONJSA-N 2 2 186.343 1.962 20 0 ADADLP CC[C@@H](C)C[NH2+]CC[N@@H+](C)C(C)C 54111094 486754693 /nfs/dbraw/zinc/75/46/93/486754693.db2.gz OPDKWTVUMPHXGS-LLVKDONJSA-N 2 2 186.343 1.962 20 0 ADADLP Cc1nc(C[NH2+]C[C@H](C)C[NH3+])cs1 54345919 486755720 /nfs/dbraw/zinc/75/57/20/486755720.db2.gz FHXNYKXYTCXQRR-SSDOTTSWSA-N 2 2 199.323 1.136 20 0 ADADLP Cc1nc(C[NH2+]C[C@@H](C)C[NH3+])cs1 54345915 486755926 /nfs/dbraw/zinc/75/59/26/486755926.db2.gz FHXNYKXYTCXQRR-ZETCQYMHSA-N 2 2 199.323 1.136 20 0 ADADLP C[C@@H](c1cccc(O)c1)[N@H+](C)CC[NH3+] 54416791 486756466 /nfs/dbraw/zinc/75/64/66/486756466.db2.gz LPTAVUZXOASSSY-VIFPVBQESA-N 2 2 194.278 1.344 20 0 ADADLP Cc1ccc(C[N@H+](C)CC[NH3+])c(C)c1 54416858 486756409 /nfs/dbraw/zinc/75/64/09/486756409.db2.gz SJGQJKAAMFCHBG-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP Cc1ccc(C[N@@H+](C)CC[NH3+])c(C)c1 54416858 486756412 /nfs/dbraw/zinc/75/64/12/486756412.db2.gz SJGQJKAAMFCHBG-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)CC[NH3+] 54416791 486756471 /nfs/dbraw/zinc/75/64/71/486756471.db2.gz LPTAVUZXOASSSY-VIFPVBQESA-N 2 2 194.278 1.344 20 0 ADADLP Cc1cc(F)ccc1C[N@H+](C)CC[NH3+] 54417099 486756544 /nfs/dbraw/zinc/75/65/44/486756544.db2.gz YOYIWRZALYBLKP-UHFFFAOYSA-N 2 2 196.269 1.525 20 0 ADADLP Cc1cc(F)ccc1C[N@@H+](C)CC[NH3+] 54417099 486756550 /nfs/dbraw/zinc/75/65/50/486756550.db2.gz YOYIWRZALYBLKP-UHFFFAOYSA-N 2 2 196.269 1.525 20 0 ADADLP Cc1cccc(C[N@H+](C)CC[NH3+])c1C 54417214 486756750 /nfs/dbraw/zinc/75/67/50/486756750.db2.gz AWXKXJJCTGLEJJ-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP Cc1cccc(C[N@@H+](C)CC[NH3+])c1C 54417214 486756756 /nfs/dbraw/zinc/75/67/56/486756756.db2.gz AWXKXJJCTGLEJJ-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP Cc1cc(C[N@H+](C)CC[NH3+])c(C)s1 54417267 486756767 /nfs/dbraw/zinc/75/67/67/486756767.db2.gz OPBLXZDPSZRVAP-UHFFFAOYSA-N 2 2 198.335 1.755 20 0 ADADLP Cc1cc(C[N@@H+](C)CC[NH3+])c(C)s1 54417267 486756772 /nfs/dbraw/zinc/75/67/72/486756772.db2.gz OPBLXZDPSZRVAP-UHFFFAOYSA-N 2 2 198.335 1.755 20 0 ADADLP Cc1ccc([C@H](C)[N@H+](C)CC[NH3+])cc1 54416725 486756785 /nfs/dbraw/zinc/75/67/85/486756785.db2.gz XFTRURXWEIFHDU-NSHDSACASA-N 2 2 192.306 1.947 20 0 ADADLP Cc1ccc([C@H](C)[N@@H+](C)CC[NH3+])cc1 54416725 486756788 /nfs/dbraw/zinc/75/67/88/486756788.db2.gz XFTRURXWEIFHDU-NSHDSACASA-N 2 2 192.306 1.947 20 0 ADADLP Cc1ccc([C@@H](C)[N@H+](C)CC[NH3+])cc1 54416724 486756945 /nfs/dbraw/zinc/75/69/45/486756945.db2.gz XFTRURXWEIFHDU-LLVKDONJSA-N 2 2 192.306 1.947 20 0 ADADLP Cc1ccc([C@@H](C)[N@@H+](C)CC[NH3+])cc1 54416724 486756947 /nfs/dbraw/zinc/75/69/47/486756947.db2.gz XFTRURXWEIFHDU-LLVKDONJSA-N 2 2 192.306 1.947 20 0 ADADLP Cc1cc(C[N@H+](C)CC[NH3+])ccc1F 54417096 486756995 /nfs/dbraw/zinc/75/69/95/486756995.db2.gz XIIVNMXJGDYYAV-UHFFFAOYSA-N 2 2 196.269 1.525 20 0 ADADLP Cc1cc(C[N@@H+](C)CC[NH3+])ccc1F 54417096 486756996 /nfs/dbraw/zinc/75/69/96/486756996.db2.gz XIIVNMXJGDYYAV-UHFFFAOYSA-N 2 2 196.269 1.525 20 0 ADADLP C[N@@H+](C/C=C/c1ccccc1)CC[NH3+] 54418162 486757015 /nfs/dbraw/zinc/75/70/15/486757015.db2.gz CWOYYGYJSOVKOC-VMPITWQZSA-N 2 2 190.290 1.590 20 0 ADADLP C[N@H+](C/C=C/c1ccccc1)CC[NH3+] 54418162 486757017 /nfs/dbraw/zinc/75/70/17/486757017.db2.gz CWOYYGYJSOVKOC-VMPITWQZSA-N 2 2 190.290 1.590 20 0 ADADLP C[C@H](c1cccc(O)c1)[N@H+](C)CC[NH3+] 54416792 486757039 /nfs/dbraw/zinc/75/70/39/486757039.db2.gz LPTAVUZXOASSSY-SECBINFHSA-N 2 2 194.278 1.344 20 0 ADADLP C[C@H](c1cccc(O)c1)[N@@H+](C)CC[NH3+] 54416792 486757043 /nfs/dbraw/zinc/75/70/43/486757043.db2.gz LPTAVUZXOASSSY-SECBINFHSA-N 2 2 194.278 1.344 20 0 ADADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 54765203 486759834 /nfs/dbraw/zinc/75/98/34/486759834.db2.gz BWNSTRNHYUTZIB-DTWKUNHWSA-N 2 2 181.283 1.934 20 0 ADADLP CC[C@H](C)[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 54765205 486759851 /nfs/dbraw/zinc/75/98/51/486759851.db2.gz BWNSTRNHYUTZIB-IUCAKERBSA-N 2 2 181.283 1.934 20 0 ADADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 54765202 486760347 /nfs/dbraw/zinc/76/03/47/486760347.db2.gz BWNSTRNHYUTZIB-RKDXNWHRSA-N 2 2 181.283 1.934 20 0 ADADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 54765204 486760545 /nfs/dbraw/zinc/76/05/45/486760545.db2.gz BWNSTRNHYUTZIB-BDAKNGLRSA-N 2 2 181.283 1.934 20 0 ADADLP C[NH2+]CC[NH2+]Cc1ccc(C)cc1 58837555 486761351 /nfs/dbraw/zinc/76/13/51/486761351.db2.gz AWGJMZXNYSQEKL-UHFFFAOYSA-N 2 2 178.279 1.304 20 0 ADADLP C[NH2+]CC[NH2+]Cc1ccc(OC)cc1 58861838 486761404 /nfs/dbraw/zinc/76/14/04/486761404.db2.gz CLCOHJOJQDBXAN-UHFFFAOYSA-N 2 2 194.278 1.004 20 0 ADADLP CC[NH2+]CC[NH2+]Cc1ccc(C)cc1 58838515 486761536 /nfs/dbraw/zinc/76/15/36/486761536.db2.gz ZNZCENCRTIGNKM-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccsc1 63147298 486769274 /nfs/dbraw/zinc/76/92/74/486769274.db2.gz OUEFROYIOPCEID-SECBINFHSA-N 2 2 184.308 1.575 20 0 ADADLP c1cc(C[NH2+]C[C@H]2CCC[NH2+]2)cs1 63147260 486769300 /nfs/dbraw/zinc/76/93/00/486769300.db2.gz YZGWURLTSGENBJ-SNVBAGLBSA-N 2 2 196.319 1.590 20 0 ADADLP CC[NH2+]CC[NH2+]Cc1ccsc1 63147421 486769344 /nfs/dbraw/zinc/76/93/44/486769344.db2.gz HHPNAFIJACNLAX-UHFFFAOYSA-N 2 2 184.308 1.447 20 0 ADADLP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cs1 63147257 486769405 /nfs/dbraw/zinc/76/94/05/486769405.db2.gz YZGWURLTSGENBJ-JTQLQIEISA-N 2 2 196.319 1.590 20 0 ADADLP CCC[NH2+]CC[NH2+]Cc1ccsc1 63147423 486769454 /nfs/dbraw/zinc/76/94/54/486769454.db2.gz KFNLZIFUQUDOLE-UHFFFAOYSA-N 2 2 198.335 1.837 20 0 ADADLP CC[C@H]([NH3+])C[NH2+]Cc1ccsc1 63147297 486769785 /nfs/dbraw/zinc/76/97/85/486769785.db2.gz OUEFROYIOPCEID-VIFPVBQESA-N 2 2 184.308 1.575 20 0 ADADLP C[NH2+]CC[NH2+]Cc1ccsc1 63147286 486769855 /nfs/dbraw/zinc/76/98/55/486769855.db2.gz GRXKPSMAYYMNIV-UHFFFAOYSA-N 2 2 170.281 1.057 20 0 ADADLP C[C@@H](CC1CC1)[NH2+]CC[NH+](C)C 69665230 486774669 /nfs/dbraw/zinc/77/46/69/486774669.db2.gz MIFFBWYIDCNFKL-VIFPVBQESA-N 2 2 170.300 1.326 20 0 ADADLP C[C@H](CC1CC1)[NH2+]CC[NH+](C)C 69665233 486774743 /nfs/dbraw/zinc/77/47/43/486774743.db2.gz MIFFBWYIDCNFKL-SECBINFHSA-N 2 2 170.300 1.326 20 0 ADADLP CCCc1[nH+]ccn1CC[NH+](C)C 69963953 486778501 /nfs/dbraw/zinc/77/85/01/486778501.db2.gz YBEFSZZRYPVNMW-UHFFFAOYSA-N 2 2 181.283 1.397 20 0 ADADLP CC(C)c1[nH+]ccn1CC[NH+](C)C 69950253 486779549 /nfs/dbraw/zinc/77/95/49/486779549.db2.gz KQHIIYGLHBNYFP-UHFFFAOYSA-N 2 2 181.283 1.568 20 0 ADADLP CC[NH+](CC)CCn1cc[nH+]c1 70162476 486782553 /nfs/dbraw/zinc/78/25/53/486782553.db2.gz SBLQHHBJUNSWEK-UHFFFAOYSA-N 2 2 167.256 1.225 20 0 ADADLP CC(C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 70584677 486784601 /nfs/dbraw/zinc/78/46/01/486784601.db2.gz LVUUEHJXLZNCKG-LLVKDONJSA-N 2 2 182.311 1.469 20 0 ADADLP CC(C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 70584677 486784607 /nfs/dbraw/zinc/78/46/07/486784607.db2.gz LVUUEHJXLZNCKG-LLVKDONJSA-N 2 2 182.311 1.469 20 0 ADADLP CC(C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 70584678 486784766 /nfs/dbraw/zinc/78/47/66/486784766.db2.gz LVUUEHJXLZNCKG-NSHDSACASA-N 2 2 182.311 1.469 20 0 ADADLP CC(C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 70584678 486784770 /nfs/dbraw/zinc/78/47/70/486784770.db2.gz LVUUEHJXLZNCKG-NSHDSACASA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1CCC[C@@H]1[NH2+]CC[NH+](C)C 70830896 486795115 /nfs/dbraw/zinc/79/51/15/486795115.db2.gz HWKQTMZJRHXZND-UWVGGRQHSA-N 2 2 170.300 1.326 20 0 ADADLP C[C@@H]1CCC[C@H]1[NH2+]CC[NH+](C)C 70830901 486795439 /nfs/dbraw/zinc/79/54/39/486795439.db2.gz HWKQTMZJRHXZND-NXEZZACHSA-N 2 2 170.300 1.326 20 0 ADADLP CC[C@H]([NH3+])C[NH2+]Cc1scnc1C 70838106 486795702 /nfs/dbraw/zinc/79/57/02/486795702.db2.gz VZESHJOLDZXUBA-QMMMGPOBSA-N 2 2 199.323 1.278 20 0 ADADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[NH+](C)C 70830893 486795715 /nfs/dbraw/zinc/79/57/15/486795715.db2.gz HWKQTMZJRHXZND-ZJUUUORDSA-N 2 2 170.300 1.326 20 0 ADADLP C[C@H]1CCC[C@H]1[NH2+]CC[NH+](C)C 70830903 486795789 /nfs/dbraw/zinc/79/57/89/486795789.db2.gz HWKQTMZJRHXZND-VHSXEESVSA-N 2 2 170.300 1.326 20 0 ADADLP CC[C@@H]([NH3+])C[NH2+]Cc1scnc1C 70838110 486796447 /nfs/dbraw/zinc/79/64/47/486796447.db2.gz VZESHJOLDZXUBA-MRVPVSSYSA-N 2 2 199.323 1.278 20 0 ADADLP CCC[NH2+]Cc1c[nH+]c(C)n1C 74335076 486798894 /nfs/dbraw/zinc/79/88/94/486798894.db2.gz MKTKROCOURASET-UHFFFAOYSA-N 2 2 167.256 1.228 20 0 ADADLP Cc1ccc(CC[N@H+](C)CC[NH3+])cc1 77277384 486802269 /nfs/dbraw/zinc/80/22/69/486802269.db2.gz GESRKLAFVBENMJ-UHFFFAOYSA-N 2 2 192.306 1.428 20 0 ADADLP Cc1ccc(CC[N@@H+](C)CC[NH3+])cc1 77277384 486802275 /nfs/dbraw/zinc/80/22/75/486802275.db2.gz GESRKLAFVBENMJ-UHFFFAOYSA-N 2 2 192.306 1.428 20 0 ADADLP CC[C@@H]([NH3+])C(=O)Nc1cc[nH+]cc1C 82247659 486808554 /nfs/dbraw/zinc/80/85/54/486808554.db2.gz VYDJZRKSKDLCTP-MRVPVSSYSA-N 2 2 193.250 1.066 20 0 ADADLP CC[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(C)c1 82247657 486808406 /nfs/dbraw/zinc/80/84/06/486808406.db2.gz WHAZFNNRDATZKK-SECBINFHSA-N 2 2 193.250 1.066 20 0 ADADLP Cc1c[nH+]ccc1NC(=O)CCC[NH3+] 82248624 486808423 /nfs/dbraw/zinc/80/84/23/486808423.db2.gz IWQCSDGIWVEBLG-UHFFFAOYSA-N 2 2 193.250 1.067 20 0 ADADLP CCCC[N@H+](C)CCn1cc[nH+]c1 674708894 486809199 /nfs/dbraw/zinc/80/91/99/486809199.db2.gz IQYXPLXLJDODPJ-UHFFFAOYSA-N 2 2 181.283 1.615 20 0 ADADLP CCCC[N@@H+](C)CCn1cc[nH+]c1 674708894 486809201 /nfs/dbraw/zinc/80/92/01/486809201.db2.gz IQYXPLXLJDODPJ-UHFFFAOYSA-N 2 2 181.283 1.615 20 0 ADADLP CCC[N@H+](CC(C)C)[C@@H]1CC[NH2+]C1 82425350 486812919 /nfs/dbraw/zinc/81/29/19/486812919.db2.gz UDHZJXWZGGUTHH-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP CCC[N@@H+](CC(C)C)[C@@H]1CC[NH2+]C1 82425350 486812923 /nfs/dbraw/zinc/81/29/23/486812923.db2.gz UDHZJXWZGGUTHH-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP CCC[N@H+](CC(C)C)[C@H]1CC[NH2+]C1 82425351 486812992 /nfs/dbraw/zinc/81/29/92/486812992.db2.gz UDHZJXWZGGUTHH-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP CCC[N@@H+](CC(C)C)[C@H]1CC[NH2+]C1 82425351 486812997 /nfs/dbraw/zinc/81/29/97/486812997.db2.gz UDHZJXWZGGUTHH-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP Cc1ccc(C[N@H+](C)CC[NH3+])cc1F 82503746 486813400 /nfs/dbraw/zinc/81/34/00/486813400.db2.gz BMGLVYUUTJYFNG-UHFFFAOYSA-N 2 2 196.269 1.525 20 0 ADADLP Cc1ccc(C[N@@H+](C)CC[NH3+])cc1F 82503746 486813403 /nfs/dbraw/zinc/81/34/03/486813403.db2.gz BMGLVYUUTJYFNG-UHFFFAOYSA-N 2 2 196.269 1.525 20 0 ADADLP C[N@H+](CC1CCCC1)CC(C)(C)[NH3+] 82493386 486813488 /nfs/dbraw/zinc/81/34/88/486813488.db2.gz IOZPBTAVRHNZGI-UHFFFAOYSA-N 2 2 184.327 1.846 20 0 ADADLP C[N@@H+](CC1CCCC1)CC(C)(C)[NH3+] 82493386 486813493 /nfs/dbraw/zinc/81/34/93/486813493.db2.gz IOZPBTAVRHNZGI-UHFFFAOYSA-N 2 2 184.327 1.846 20 0 ADADLP C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[NH+](C)C 82857010 486827102 /nfs/dbraw/zinc/82/71/02/486827102.db2.gz IUXZDBHOFABCRN-GRYCIOLGSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC[NH+](C)C)C1 82857012 486827260 /nfs/dbraw/zinc/82/72/60/486827260.db2.gz IUXZDBHOFABCRN-IJLUTSLNSA-N 2 2 198.354 1.962 20 0 ADADLP CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CC1 83055746 486830689 /nfs/dbraw/zinc/83/06/89/486830689.db2.gz HEVHZNWUPWBVDT-GXSJLCMTSA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CC1 83055744 486830856 /nfs/dbraw/zinc/83/08/56/486830856.db2.gz HEVHZNWUPWBVDT-ONGXEEELSA-N 2 2 184.327 1.715 20 0 ADADLP Cc1[nH+]cc(C[NH2+]C(C)(C)C)n1C 83534718 486836801 /nfs/dbraw/zinc/83/68/01/486836801.db2.gz MOOOTFDMCSVKKT-UHFFFAOYSA-N 2 2 181.283 1.617 20 0 ADADLP Cc1[nH+]cc(C[NH2+]C(C)C)n1C 83534684 486836866 /nfs/dbraw/zinc/83/68/66/486836866.db2.gz LMSHAXXNYDDSFP-UHFFFAOYSA-N 2 2 167.256 1.227 20 0 ADADLP Cc1[nH+]cc(C[NH2+]CC(C)C)n1C 83534730 486837071 /nfs/dbraw/zinc/83/70/71/486837071.db2.gz DUEISLOPWDWYLE-UHFFFAOYSA-N 2 2 181.283 1.474 20 0 ADADLP CCC[N@H+](CC1CCC1)[C@@H]1CC[NH2+]C1 83839934 486844877 /nfs/dbraw/zinc/84/48/77/486844877.db2.gz GXSXCDMGGXTXSM-GFCCVEGCSA-N 2 2 196.338 1.860 20 0 ADADLP CCC[N@@H+](CC1CCC1)[C@@H]1CC[NH2+]C1 83839934 486844881 /nfs/dbraw/zinc/84/48/81/486844881.db2.gz GXSXCDMGGXTXSM-GFCCVEGCSA-N 2 2 196.338 1.860 20 0 ADADLP CCC[N@H+](CC1CCC1)[C@H]1CC[NH2+]C1 83839936 486845038 /nfs/dbraw/zinc/84/50/38/486845038.db2.gz GXSXCDMGGXTXSM-LBPRGKRZSA-N 2 2 196.338 1.860 20 0 ADADLP CCC[N@@H+](CC1CCC1)[C@H]1CC[NH2+]C1 83839936 486845045 /nfs/dbraw/zinc/84/50/45/486845045.db2.gz GXSXCDMGGXTXSM-LBPRGKRZSA-N 2 2 196.338 1.860 20 0 ADADLP C[NH+](C)CC[C@H]([NH3+])c1cccnc1 83964142 486850045 /nfs/dbraw/zinc/85/00/45/486850045.db2.gz NWCMKNZDDIKUAI-JTQLQIEISA-N 2 2 179.267 1.033 20 0 ADADLP C[NH+](C)CC[C@@H]([NH3+])c1cccnc1 83964143 486850362 /nfs/dbraw/zinc/85/03/62/486850362.db2.gz NWCMKNZDDIKUAI-SNVBAGLBSA-N 2 2 179.267 1.033 20 0 ADADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)C1CC1 84080908 486852175 /nfs/dbraw/zinc/85/21/75/486852175.db2.gz ZPDSGVOGMDXUNV-JTQLQIEISA-N 2 2 179.267 1.688 20 0 ADADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CC1 84080909 486852380 /nfs/dbraw/zinc/85/23/80/486852380.db2.gz ZPDSGVOGMDXUNV-SNVBAGLBSA-N 2 2 179.267 1.688 20 0 ADADLP CC(C)C[N@H+](C)CCCn1cc[nH+]c1 676222232 486858273 /nfs/dbraw/zinc/85/82/73/486858273.db2.gz HAOHLUOZGOOPIM-UHFFFAOYSA-N 2 2 195.310 1.861 20 0 ADADLP CC(C)C[N@@H+](C)CCCn1cc[nH+]c1 676222232 486858278 /nfs/dbraw/zinc/85/82/78/486858278.db2.gz HAOHLUOZGOOPIM-UHFFFAOYSA-N 2 2 195.310 1.861 20 0 ADADLP C1=C(c2ccc3[nH+]ccn3c2)CC[NH2+]C1 84363295 486859142 /nfs/dbraw/zinc/85/91/42/486859142.db2.gz JUNYUZMMZRWDBX-UHFFFAOYSA-N 2 2 199.257 1.711 20 0 ADADLP C[C@@H](C1CC1)[N@H+](C)CCn1cc[nH+]c1 677046791 486875570 /nfs/dbraw/zinc/87/55/70/486875570.db2.gz JMIKSERIAHJHHC-JTQLQIEISA-N 2 2 193.294 1.613 20 0 ADADLP C[C@@H](C1CC1)[N@@H+](C)CCn1cc[nH+]c1 677046791 486875573 /nfs/dbraw/zinc/87/55/73/486875573.db2.gz JMIKSERIAHJHHC-JTQLQIEISA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H](C1CC1)[N@H+](C)CCn1cc[nH+]c1 677046792 486876239 /nfs/dbraw/zinc/87/62/39/486876239.db2.gz JMIKSERIAHJHHC-SNVBAGLBSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H](C1CC1)[N@@H+](C)CCn1cc[nH+]c1 677046792 486876244 /nfs/dbraw/zinc/87/62/44/486876244.db2.gz JMIKSERIAHJHHC-SNVBAGLBSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)CCc1cccs1 86442274 486881176 /nfs/dbraw/zinc/88/11/76/486881176.db2.gz DUPFSXQRSSAUEJ-SECBINFHSA-N 2 2 198.335 1.570 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1cccs1 86442274 486881184 /nfs/dbraw/zinc/88/11/84/486881184.db2.gz DUPFSXQRSSAUEJ-SECBINFHSA-N 2 2 198.335 1.570 20 0 ADADLP CC[C@@H](C)C[N@H+](CC)C[C@@H](C)[NH3+] 86437385 486881433 /nfs/dbraw/zinc/88/14/33/486881433.db2.gz MLVXVZAMFGTRJW-NXEZZACHSA-N 2 2 172.316 1.702 20 0 ADADLP CC[C@@H](C)C[N@@H+](CC)C[C@@H](C)[NH3+] 86437385 486881437 /nfs/dbraw/zinc/88/14/37/486881437.db2.gz MLVXVZAMFGTRJW-NXEZZACHSA-N 2 2 172.316 1.702 20 0 ADADLP CC[C@H](C)C[N@H+](CC)C[C@@H](C)[NH3+] 86437387 486881744 /nfs/dbraw/zinc/88/17/44/486881744.db2.gz MLVXVZAMFGTRJW-VHSXEESVSA-N 2 2 172.316 1.702 20 0 ADADLP CC[C@H](C)C[N@@H+](CC)C[C@@H](C)[NH3+] 86437387 486881749 /nfs/dbraw/zinc/88/17/49/486881749.db2.gz MLVXVZAMFGTRJW-VHSXEESVSA-N 2 2 172.316 1.702 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)CCc1cccs1 86442273 486882131 /nfs/dbraw/zinc/88/21/31/486882131.db2.gz DUPFSXQRSSAUEJ-VIFPVBQESA-N 2 2 198.335 1.570 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)CCc1cccs1 86442273 486882134 /nfs/dbraw/zinc/88/21/34/486882134.db2.gz DUPFSXQRSSAUEJ-VIFPVBQESA-N 2 2 198.335 1.570 20 0 ADADLP C[N@H+](CC(F)F)CC1CC[NH2+]CC1 86703060 486883195 /nfs/dbraw/zinc/88/31/95/486883195.db2.gz BYMSNBQAFQWFIR-UHFFFAOYSA-N 2 2 192.253 1.183 20 0 ADADLP C[N@@H+](CC(F)F)CC1CC[NH2+]CC1 86703060 486883198 /nfs/dbraw/zinc/88/31/98/486883198.db2.gz BYMSNBQAFQWFIR-UHFFFAOYSA-N 2 2 192.253 1.183 20 0 ADADLP C[N@H+](Cc1ccno1)CC(C)(C)C[NH3+] 86638466 486883386 /nfs/dbraw/zinc/88/33/86/486883386.db2.gz KLCSOZBOMJKFIF-UHFFFAOYSA-N 2 2 197.282 1.091 20 0 ADADLP C[N@@H+](Cc1ccno1)CC(C)(C)C[NH3+] 86638466 486883390 /nfs/dbraw/zinc/88/33/90/486883390.db2.gz KLCSOZBOMJKFIF-UHFFFAOYSA-N 2 2 197.282 1.091 20 0 ADADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccncc1 86725078 486884068 /nfs/dbraw/zinc/88/40/68/486884068.db2.gz ITGNSAQNTBSSDO-KOLCDFICSA-N 2 2 191.278 1.094 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccnc1 86725262 486884138 /nfs/dbraw/zinc/88/41/38/486884138.db2.gz ZDWHYKFYZZMCJX-MWLCHTKSSA-N 2 2 191.278 1.094 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccncc1 86725075 486884161 /nfs/dbraw/zinc/88/41/61/486884161.db2.gz ITGNSAQNTBSSDO-MWLCHTKSSA-N 2 2 191.278 1.094 20 0 ADADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccnc1 86725258 486884164 /nfs/dbraw/zinc/88/41/64/486884164.db2.gz ZDWHYKFYZZMCJX-GXSJLCMTSA-N 2 2 191.278 1.094 20 0 ADADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccncc1 86725073 486884234 /nfs/dbraw/zinc/88/42/34/486884234.db2.gz ITGNSAQNTBSSDO-GXSJLCMTSA-N 2 2 191.278 1.094 20 0 ADADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccncc1 86725077 486884373 /nfs/dbraw/zinc/88/43/73/486884373.db2.gz ITGNSAQNTBSSDO-ONGXEEELSA-N 2 2 191.278 1.094 20 0 ADADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccnc1 86725264 486884402 /nfs/dbraw/zinc/88/44/02/486884402.db2.gz ZDWHYKFYZZMCJX-ONGXEEELSA-N 2 2 191.278 1.094 20 0 ADADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccnc1 86725267 486884865 /nfs/dbraw/zinc/88/48/65/486884865.db2.gz ZDWHYKFYZZMCJX-KOLCDFICSA-N 2 2 191.278 1.094 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(O)c1 87183455 486891399 /nfs/dbraw/zinc/89/13/99/486891399.db2.gz JWJJWAHQMZSQJE-VIFPVBQESA-N 2 2 194.278 1.171 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(O)c1 87183455 486891405 /nfs/dbraw/zinc/89/14/05/486891405.db2.gz JWJJWAHQMZSQJE-VIFPVBQESA-N 2 2 194.278 1.171 20 0 ADADLP CC(C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 677602807 486891699 /nfs/dbraw/zinc/89/16/99/486891699.db2.gz VCQDPWLJAJPZJI-SNVBAGLBSA-N 2 2 193.294 1.618 20 0 ADADLP CC(C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 677602807 486891702 /nfs/dbraw/zinc/89/17/02/486891702.db2.gz VCQDPWLJAJPZJI-SNVBAGLBSA-N 2 2 193.294 1.618 20 0 ADADLP CC(C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 677602806 486891714 /nfs/dbraw/zinc/89/17/14/486891714.db2.gz VCQDPWLJAJPZJI-JTQLQIEISA-N 2 2 193.294 1.618 20 0 ADADLP CC(C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 677602806 486891718 /nfs/dbraw/zinc/89/17/18/486891718.db2.gz VCQDPWLJAJPZJI-JTQLQIEISA-N 2 2 193.294 1.618 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(O)c1 87183458 486891763 /nfs/dbraw/zinc/89/17/63/486891763.db2.gz JWJJWAHQMZSQJE-SECBINFHSA-N 2 2 194.278 1.171 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(O)c1 87183458 486891768 /nfs/dbraw/zinc/89/17/68/486891768.db2.gz JWJJWAHQMZSQJE-SECBINFHSA-N 2 2 194.278 1.171 20 0 ADADLP CC[N@@H+](Cc1ccccn1)C[C@@H](C)[NH3+] 87331214 486893594 /nfs/dbraw/zinc/89/35/94/486893594.db2.gz OKZYYIIKXRMAJB-SNVBAGLBSA-N 2 2 193.294 1.251 20 0 ADADLP CC[N@H+](Cc1ccccn1)C[C@@H](C)[NH3+] 87331214 486893597 /nfs/dbraw/zinc/89/35/97/486893597.db2.gz OKZYYIIKXRMAJB-SNVBAGLBSA-N 2 2 193.294 1.251 20 0 ADADLP CC[N@@H+](Cc1ccccn1)C[C@H](C)[NH3+] 87331217 486893692 /nfs/dbraw/zinc/89/36/92/486893692.db2.gz OKZYYIIKXRMAJB-JTQLQIEISA-N 2 2 193.294 1.251 20 0 ADADLP CC[N@H+](Cc1ccccn1)C[C@H](C)[NH3+] 87331217 486893697 /nfs/dbraw/zinc/89/36/97/486893697.db2.gz OKZYYIIKXRMAJB-JTQLQIEISA-N 2 2 193.294 1.251 20 0 ADADLP CC[N@H+](CCn1cc[nH+]c1)C1CC1 677802203 486898129 /nfs/dbraw/zinc/89/81/29/486898129.db2.gz HWAVJPPNVUWRCR-UHFFFAOYSA-N 2 2 179.267 1.367 20 0 ADADLP CC[N@@H+](CCn1cc[nH+]c1)C1CC1 677802203 486898134 /nfs/dbraw/zinc/89/81/34/486898134.db2.gz HWAVJPPNVUWRCR-UHFFFAOYSA-N 2 2 179.267 1.367 20 0 ADADLP C[NH2+][C@H]1CCC[N@H+](CCCF)C1 88026338 486906735 /nfs/dbraw/zinc/90/67/35/486906735.db2.gz QFJJTFSPXAZRDP-VIFPVBQESA-N 2 2 174.263 1.030 20 0 ADADLP CC(C)OCC[N@H+](C)CC(C)(C)[NH3+] 87978067 486904582 /nfs/dbraw/zinc/90/45/82/486904582.db2.gz AEXNMGMBPHGMKC-UHFFFAOYSA-N 2 2 188.315 1.081 20 0 ADADLP CC(C)OCC[N@@H+](C)CC(C)(C)[NH3+] 87978067 486904587 /nfs/dbraw/zinc/90/45/87/486904587.db2.gz AEXNMGMBPHGMKC-UHFFFAOYSA-N 2 2 188.315 1.081 20 0 ADADLP C[NH2+][C@@H]1CCC[N@H+](CCCF)C1 88026337 486906686 /nfs/dbraw/zinc/90/66/86/486906686.db2.gz QFJJTFSPXAZRDP-SECBINFHSA-N 2 2 174.263 1.030 20 0 ADADLP C[NH2+][C@@H]1CCC[N@@H+](CCCF)C1 88026337 486906691 /nfs/dbraw/zinc/90/66/91/486906691.db2.gz QFJJTFSPXAZRDP-SECBINFHSA-N 2 2 174.263 1.030 20 0 ADADLP C[NH2+][C@H]1CCC[N@@H+](CCCF)C1 88026338 486906742 /nfs/dbraw/zinc/90/67/42/486906742.db2.gz QFJJTFSPXAZRDP-VIFPVBQESA-N 2 2 174.263 1.030 20 0 ADADLP [NH3+]C1(C[NH2+]Cc2nccs2)CCC1 88051955 486908266 /nfs/dbraw/zinc/90/82/66/486908266.db2.gz MTOZXDKNRMFGIP-UHFFFAOYSA-N 2 2 197.307 1.114 20 0 ADADLP CC(C)[C@@H](C)[N@H+](C)CCn1cc[nH+]c1 677981985 486910322 /nfs/dbraw/zinc/91/03/22/486910322.db2.gz IQWREBFBZJBKBC-LLVKDONJSA-N 2 2 195.310 1.859 20 0 ADADLP CC(C)[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1 677981985 486910325 /nfs/dbraw/zinc/91/03/25/486910325.db2.gz IQWREBFBZJBKBC-LLVKDONJSA-N 2 2 195.310 1.859 20 0 ADADLP CC(C)C[N@H+](C)CCn1cc[nH+]c1 677981824 486910344 /nfs/dbraw/zinc/91/03/44/486910344.db2.gz IQDVWDGEUQSSHD-UHFFFAOYSA-N 2 2 181.283 1.471 20 0 ADADLP CC(C)C[N@@H+](C)CCn1cc[nH+]c1 677981824 486910350 /nfs/dbraw/zinc/91/03/50/486910350.db2.gz IQDVWDGEUQSSHD-UHFFFAOYSA-N 2 2 181.283 1.471 20 0 ADADLP CC[C@H](C)C[N@H+](C)CCn1cc[nH+]c1 677984012 486910434 /nfs/dbraw/zinc/91/04/34/486910434.db2.gz GIGOSJLWYNQRNN-NSHDSACASA-N 2 2 195.310 1.861 20 0 ADADLP CC[C@H](C)C[N@@H+](C)CCn1cc[nH+]c1 677984012 486910439 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20 0 ADADLP CC[C@H](C)C[N@H+](CC)C[C@H](C)[NH3+] 156546106 486962510 /nfs/dbraw/zinc/96/25/10/486962510.db2.gz MLVXVZAMFGTRJW-UWVGGRQHSA-N 2 2 172.316 1.702 20 0 ADADLP CC[C@H](C)C[N@@H+](CC)C[C@H](C)[NH3+] 156546106 486962515 /nfs/dbraw/zinc/96/25/15/486962515.db2.gz MLVXVZAMFGTRJW-UWVGGRQHSA-N 2 2 172.316 1.702 20 0 ADADLP CC[C@@H](C)C[N@H+](CC)C[C@H](C)[NH3+] 156545968 486962737 /nfs/dbraw/zinc/96/27/37/486962737.db2.gz MLVXVZAMFGTRJW-ZJUUUORDSA-N 2 2 172.316 1.702 20 0 ADADLP CC[C@@H](C)C[N@@H+](CC)C[C@H](C)[NH3+] 156545968 486962740 /nfs/dbraw/zinc/96/27/40/486962740.db2.gz MLVXVZAMFGTRJW-ZJUUUORDSA-N 2 2 172.316 1.702 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]CC(C)(C)C 159090387 486971350 /nfs/dbraw/zinc/97/13/50/486971350.db2.gz FMZFBTYTAORDAW-VIFPVBQESA-N 2 2 172.316 1.572 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)CCOC(C)(C)C 158934483 486972148 /nfs/dbraw/zinc/97/21/48/486972148.db2.gz IARZZBFJNCAXAG-SECBINFHSA-N 2 2 188.315 1.081 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)CCOC(C)(C)C 158934483 486972154 /nfs/dbraw/zinc/97/21/54/486972154.db2.gz IARZZBFJNCAXAG-SECBINFHSA-N 2 2 188.315 1.081 20 0 ADADLP CCc1ccc(C[NH2+]CC[NH2+]C)s1 161244876 486979715 /nfs/dbraw/zinc/97/97/15/486979715.db2.gz IFBHUOMOFIMUIX-UHFFFAOYSA-N 2 2 198.335 1.620 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C)cc1 162087810 486980632 /nfs/dbraw/zinc/98/06/32/486980632.db2.gz OJKZKLKUDIQNNN-NSHDSACASA-N 2 2 192.306 1.693 20 0 ADADLP Cc1cc(F)ccc1C[NH2+][C@H](C)C[NH3+] 162070137 486980649 /nfs/dbraw/zinc/98/06/49/486980649.db2.gz KBIVOTVBSGPUSS-SECBINFHSA-N 2 2 196.269 1.571 20 0 ADADLP Cc1cc(C[NH2+][C@H](C)C[NH3+])ccc1F 161999508 486980668 /nfs/dbraw/zinc/98/06/68/486980668.db2.gz JXZAQHMOAJNNAJ-SECBINFHSA-N 2 2 196.269 1.571 20 0 ADADLP Cc1ccc(C[NH2+][C@H](C)C[NH3+])cc1F 162004139 486980934 /nfs/dbraw/zinc/98/09/34/486980934.db2.gz IRBGTMUWDCIJMN-SECBINFHSA-N 2 2 196.269 1.571 20 0 ADADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)cc1 161975555 486980970 /nfs/dbraw/zinc/98/09/70/486980970.db2.gz LVRYMUWAOFQCKB-MRVPVSSYSA-N 2 2 198.697 1.777 20 0 ADADLP Cc1ccc(F)cc1C[NH2+][C@H](C)C[NH3+] 162039654 486981006 /nfs/dbraw/zinc/98/10/06/486981006.db2.gz TZJWOAWUOIOMRI-SECBINFHSA-N 2 2 196.269 1.571 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(F)cc1 162086855 486981085 /nfs/dbraw/zinc/98/10/85/486981085.db2.gz LKVLHXRMGQAZDV-SECBINFHSA-N 2 2 196.269 1.523 20 0 ADADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1 161975298 486981120 /nfs/dbraw/zinc/98/11/20/486981120.db2.gz RRWZGSWLRRISGJ-MRVPVSSYSA-N 2 2 182.242 1.263 20 0 ADADLP Cc1ccc(F)c(C[NH2+][C@H](C)C[NH3+])c1 162038680 486981155 /nfs/dbraw/zinc/98/11/55/486981155.db2.gz UEXSHFHVHOEGLK-SECBINFHSA-N 2 2 196.269 1.571 20 0 ADADLP C[C@H](C[NH3+])[NH2+]Cc1ccccc1Cl 162007666 486981165 /nfs/dbraw/zinc/98/11/65/486981165.db2.gz QLAIJRODHUHNOD-MRVPVSSYSA-N 2 2 198.697 1.777 20 0 ADADLP COc1ccccc1C[NH2+][C@H](C)C[NH3+] 161976111 486981261 /nfs/dbraw/zinc/98/12/61/486981261.db2.gz NZBDGGNHTYAPOU-SECBINFHSA-N 2 2 194.278 1.132 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C)cc1 162087947 486981319 /nfs/dbraw/zinc/98/13/19/486981319.db2.gz OJKZKLKUDIQNNN-LLVKDONJSA-N 2 2 192.306 1.693 20 0 ADADLP C[C@H](C[NH3+])[NH2+]Cc1ccccc1F 162075528 486981355 /nfs/dbraw/zinc/98/13/55/486981355.db2.gz CIIRRGKLTWPEGZ-MRVPVSSYSA-N 2 2 182.242 1.263 20 0 ADADLP C[C@H](C[NH3+])[NH2+]Cc1ccsc1 162062754 486981424 /nfs/dbraw/zinc/98/14/24/486981424.db2.gz HPOPNMSGVXYCHP-SSDOTTSWSA-N 2 2 170.281 1.185 20 0 ADADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(F)c1 162056405 486981480 /nfs/dbraw/zinc/98/14/80/486981480.db2.gz RHRAGXMCVFOKTH-MRVPVSSYSA-N 2 2 182.242 1.263 20 0 ADADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(Cl)c1 162007185 486981502 /nfs/dbraw/zinc/98/15/02/486981502.db2.gz YCXIGBFZLJRZAE-MRVPVSSYSA-N 2 2 198.697 1.777 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(F)cc1 162086703 486981636 /nfs/dbraw/zinc/98/16/36/486981636.db2.gz LKVLHXRMGQAZDV-VIFPVBQESA-N 2 2 196.269 1.523 20 0 ADADLP COc1cccc(C[NH2+][C@H](C)C[NH3+])c1 161984052 486981706 /nfs/dbraw/zinc/98/17/06/486981706.db2.gz RGRKVFOWERWURW-SECBINFHSA-N 2 2 194.278 1.132 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccs1 162151741 486982038 /nfs/dbraw/zinc/98/20/38/486982038.db2.gz SXULAGKOHWXQHE-QMMMGPOBSA-N 2 2 184.308 1.446 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C)s1 162177971 486982077 /nfs/dbraw/zinc/98/20/77/486982077.db2.gz PCGIUEKJTSYNMC-QMMMGPOBSA-N 2 2 198.335 1.754 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1sccc1C 162179302 486982154 /nfs/dbraw/zinc/98/21/54/486982154.db2.gz ZDLJTGZUYCQITP-SECBINFHSA-N 2 2 198.335 1.754 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1scnc1C 162129913 486982179 /nfs/dbraw/zinc/98/21/79/486982179.db2.gz WOHUREKCYWZUDD-SSDOTTSWSA-N 2 2 199.323 1.149 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccsc1 162168979 486982248 /nfs/dbraw/zinc/98/22/48/486982248.db2.gz IQXJRRFJQQHNCY-MRVPVSSYSA-N 2 2 184.308 1.446 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(C)c1 162179669 486982264 /nfs/dbraw/zinc/98/22/64/486982264.db2.gz IRQYJCHXHFNPHG-NSHDSACASA-N 2 2 192.306 1.693 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1scnc1C 162129777 486982308 /nfs/dbraw/zinc/98/23/08/486982308.db2.gz WOHUREKCYWZUDD-ZETCQYMHSA-N 2 2 199.323 1.149 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccnc1C 162164701 486982410 /nfs/dbraw/zinc/98/24/10/486982410.db2.gz PPDCQOWIUJMDDF-VIFPVBQESA-N 2 2 193.294 1.088 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(F)c1 162163382 486982459 /nfs/dbraw/zinc/98/24/59/486982459.db2.gz NMAAIEHTPKFKES-VIFPVBQESA-N 2 2 196.269 1.523 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(C)c1 162179768 486982539 /nfs/dbraw/zinc/98/25/39/486982539.db2.gz IRQYJCHXHFNPHG-LLVKDONJSA-N 2 2 192.306 1.693 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccnc1C 162164814 486982634 /nfs/dbraw/zinc/98/26/34/486982634.db2.gz PPDCQOWIUJMDDF-SECBINFHSA-N 2 2 193.294 1.088 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccs1 162151848 486982644 /nfs/dbraw/zinc/98/26/44/486982644.db2.gz SXULAGKOHWXQHE-MRVPVSSYSA-N 2 2 184.308 1.446 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(F)c1 162163505 486982786 /nfs/dbraw/zinc/98/27/86/486982786.db2.gz NMAAIEHTPKFKES-SECBINFHSA-N 2 2 196.269 1.523 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccsc1 162168866 486982808 /nfs/dbraw/zinc/98/28/08/486982808.db2.gz IQXJRRFJQQHNCY-QMMMGPOBSA-N 2 2 184.308 1.446 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1sccc1C 162179222 486982835 /nfs/dbraw/zinc/98/28/35/486982835.db2.gz ZDLJTGZUYCQITP-VIFPVBQESA-N 2 2 198.335 1.754 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccccc1C 162164327 486982867 /nfs/dbraw/zinc/98/28/67/486982867.db2.gz ZNAOERAOZYRPPO-LLVKDONJSA-N 2 2 192.306 1.693 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C)s1 162178105 486982925 /nfs/dbraw/zinc/98/29/25/486982925.db2.gz PCGIUEKJTSYNMC-MRVPVSSYSA-N 2 2 198.335 1.754 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccccc1C 162164174 486983184 /nfs/dbraw/zinc/98/31/84/486983184.db2.gz ZNAOERAOZYRPPO-NSHDSACASA-N 2 2 192.306 1.693 20 0 ADADLP Cc1ccc(F)cc1C[N@H+](C)CC[NH3+] 162908055 486984985 /nfs/dbraw/zinc/98/49/85/486984985.db2.gz UZZQCGVSYIUJNU-UHFFFAOYSA-N 2 2 196.269 1.525 20 0 ADADLP Cc1ccc(F)cc1C[N@@H+](C)CC[NH3+] 162908055 486984991 /nfs/dbraw/zinc/98/49/91/486984991.db2.gz UZZQCGVSYIUJNU-UHFFFAOYSA-N 2 2 196.269 1.525 20 0 ADADLP CC(C)CCC[NH2+]C[C@H](C)[NH+](C)C 165226951 486990413 /nfs/dbraw/zinc/99/04/13/486990413.db2.gz PVTMTLNXBYECQE-NSHDSACASA-N 2 2 186.343 1.962 20 0 ADADLP CC(C)[N@@H+]1CCn2c[nH+]cc2C1 165594372 486992735 /nfs/dbraw/zinc/99/27/35/486992735.db2.gz ROESZUKOSCFUPW-UHFFFAOYSA-N 2 2 165.240 1.107 20 0 ADADLP CC(C)[N@H+]1CCn2c[nH+]cc2C1 165594372 486992742 /nfs/dbraw/zinc/99/27/42/486992742.db2.gz ROESZUKOSCFUPW-UHFFFAOYSA-N 2 2 165.240 1.107 20 0 ADADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C 166376943 486995652 /nfs/dbraw/zinc/99/56/52/486995652.db2.gz IJCXXLAOKMIHIZ-SNVBAGLBSA-N 2 2 195.310 1.907 20 0 ADADLP Cc1cccc(N(C)CC[NH+](C)C)[nH+]1 681208199 487013438 /nfs/dbraw/zinc/01/34/38/487013438.db2.gz AHEXHBRHOYIIGX-UHFFFAOYSA-N 2 2 193.294 1.388 20 0 ADADLP Cc1ccccc1C1([NH2+]CC[NH3+])CC1 215655358 487026852 /nfs/dbraw/zinc/02/68/52/487026852.db2.gz LWQDJLCQBVCNLK-UHFFFAOYSA-N 2 2 190.290 1.532 20 0 ADADLP C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH+](C)C 221600075 487033387 /nfs/dbraw/zinc/03/33/87/487033387.db2.gz IUXZDBHOFABCRN-WOPDTQHZSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC[NH+](C)C)C1 221599959 487033483 /nfs/dbraw/zinc/03/34/83/487033483.db2.gz IUXZDBHOFABCRN-UTUOFQBUSA-N 2 2 198.354 1.962 20 0 ADADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccnc1 224153583 487038324 /nfs/dbraw/zinc/03/83/24/487038324.db2.gz SQQXOIUDEQCTQW-KOLCDFICSA-N 2 2 193.294 1.470 20 0 ADADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccnc1 224153635 487038561 /nfs/dbraw/zinc/03/85/61/487038561.db2.gz SQQXOIUDEQCTQW-MWLCHTKSSA-N 2 2 193.294 1.470 20 0 ADADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccnc1 224153494 487038595 /nfs/dbraw/zinc/03/85/95/487038595.db2.gz SQQXOIUDEQCTQW-ONGXEEELSA-N 2 2 193.294 1.470 20 0 ADADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccnc1 224153540 487038629 /nfs/dbraw/zinc/03/86/29/487038629.db2.gz SQQXOIUDEQCTQW-GXSJLCMTSA-N 2 2 193.294 1.470 20 0 ADADLP C[C@H]1CCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C 226366847 487050515 /nfs/dbraw/zinc/05/05/15/487050515.db2.gz GGBGOFAHPKSWRR-DCAQKATOSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@H]1CCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C 226366839 487050566 /nfs/dbraw/zinc/05/05/66/487050566.db2.gz GGBGOFAHPKSWRR-GARJFASQSA-N 2 2 184.327 1.715 20 0 ADADLP Cc1csc(C[N@H+](C)CCC[NH3+])n1 227748618 487056669 /nfs/dbraw/zinc/05/66/69/487056669.db2.gz PCPGVDLEBZDEQL-UHFFFAOYSA-N 2 2 199.323 1.232 20 0 ADADLP Cc1csc(C[N@@H+](C)CCC[NH3+])n1 227748618 487056671 /nfs/dbraw/zinc/05/66/71/487056671.db2.gz PCPGVDLEBZDEQL-UHFFFAOYSA-N 2 2 199.323 1.232 20 0 ADADLP CC1CC([NH2+]C[C@H](C)[NH+](C)C)C1 231788104 487078535 /nfs/dbraw/zinc/07/85/35/487078535.db2.gz WMJASCQOQVEDCE-KYHHOPLUSA-N 2 2 170.300 1.325 20 0 ADADLP CC[N@H+](CC[NH3+])Cc1sccc1C 231818571 487078676 /nfs/dbraw/zinc/07/86/76/487078676.db2.gz DFAJHRZHQMILCU-UHFFFAOYSA-N 2 2 198.335 1.837 20 0 ADADLP CC[N@@H+](CC[NH3+])Cc1sccc1C 231818571 487078684 /nfs/dbraw/zinc/07/86/84/487078684.db2.gz DFAJHRZHQMILCU-UHFFFAOYSA-N 2 2 198.335 1.837 20 0 ADADLP CC[N@H+](CC[NH3+])Cc1ccc(C)s1 231819319 487079532 /nfs/dbraw/zinc/07/95/32/487079532.db2.gz DSNAHFVARAFDDK-UHFFFAOYSA-N 2 2 198.335 1.837 20 0 ADADLP CC[N@@H+](CC[NH3+])Cc1ccc(C)s1 231819319 487079534 /nfs/dbraw/zinc/07/95/34/487079534.db2.gz DSNAHFVARAFDDK-UHFFFAOYSA-N 2 2 198.335 1.837 20 0 ADADLP CC[N@H+](CC[NH3+])Cc1ccsc1 231819043 487079762 /nfs/dbraw/zinc/07/97/62/487079762.db2.gz POIYPDITVUASPP-UHFFFAOYSA-N 2 2 184.308 1.529 20 0 ADADLP CC[N@@H+](CC[NH3+])Cc1ccsc1 231819043 487079766 /nfs/dbraw/zinc/07/97/66/487079766.db2.gz POIYPDITVUASPP-UHFFFAOYSA-N 2 2 184.308 1.529 20 0 ADADLP CC[N@H+](CC[NH3+])Cc1ccnc(C)c1 233454781 487091976 /nfs/dbraw/zinc/09/19/76/487091976.db2.gz DNDMJIFWCJYXLF-UHFFFAOYSA-N 2 2 193.294 1.171 20 0 ADADLP CC[N@@H+](CC[NH3+])Cc1ccnc(C)c1 233454781 487091981 /nfs/dbraw/zinc/09/19/81/487091981.db2.gz DNDMJIFWCJYXLF-UHFFFAOYSA-N 2 2 193.294 1.171 20 0 ADADLP C[NH2+]CC[NH2+]Cc1c(C)cccc1C 234382600 487095438 /nfs/dbraw/zinc/09/54/38/487095438.db2.gz RQONSWWQKAYYML-UHFFFAOYSA-N 2 2 192.306 1.612 20 0 ADADLP C[NH2+][C@@H]1CC[N@H+](CC2(C)CC2)C1 234449020 487096870 /nfs/dbraw/zinc/09/68/70/487096870.db2.gz UNQZGMDFQJFWCY-SECBINFHSA-N 2 2 168.284 1.080 20 0 ADADLP C[NH2+][C@@H]1CC[N@@H+](CC2(C)CC2)C1 234449020 487096874 /nfs/dbraw/zinc/09/68/74/487096874.db2.gz UNQZGMDFQJFWCY-SECBINFHSA-N 2 2 168.284 1.080 20 0 ADADLP C[NH2+][C@H]1CC[N@H+](CC2(C)CC2)C1 234511037 487097047 /nfs/dbraw/zinc/09/70/47/487097047.db2.gz UNQZGMDFQJFWCY-VIFPVBQESA-N 2 2 168.284 1.080 20 0 ADADLP C[NH2+][C@H]1CC[N@@H+](CC2(C)CC2)C1 234511037 487097052 /nfs/dbraw/zinc/09/70/52/487097052.db2.gz UNQZGMDFQJFWCY-VIFPVBQESA-N 2 2 168.284 1.080 20 0 ADADLP Cc1cc([C@H](C)[NH2+][C@H](C)C[NH3+])c(C)o1 235459035 487103117 /nfs/dbraw/zinc/10/31/17/487103117.db2.gz GUORLMVZKOKZCQ-APPZFPTMSA-N 2 2 196.294 1.894 20 0 ADADLP Cc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])o1 235459143 487103822 /nfs/dbraw/zinc/10/38/22/487103822.db2.gz IPCBCXKOGGQJIW-APPZFPTMSA-N 2 2 182.267 1.586 20 0 ADADLP C[C@H]([NH2+][C@H](C)C[NH3+])c1ccccc1F 235459455 487104374 /nfs/dbraw/zinc/10/43/74/487104374.db2.gz BSEPEVDHFOYQGF-BDAKNGLRSA-N 2 2 196.269 1.824 20 0 ADADLP C[C@H]([NH2+][C@H](C)C[NH3+])c1ccco1 235459514 487104433 /nfs/dbraw/zinc/10/44/33/487104433.db2.gz GSJLFWOAJDZFOI-SFYZADRCSA-N 2 2 168.240 1.277 20 0 ADADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccco1 235462597 487104443 /nfs/dbraw/zinc/10/44/43/487104443.db2.gz GSJLFWOAJDZFOI-HTQZYQBOSA-N 2 2 168.240 1.277 20 0 ADADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1F 235462527 487104624 /nfs/dbraw/zinc/10/46/24/487104624.db2.gz BSEPEVDHFOYQGF-RKDXNWHRSA-N 2 2 196.269 1.824 20 0 ADADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])o1 235462072 487104681 /nfs/dbraw/zinc/10/46/81/487104681.db2.gz IPCBCXKOGGQJIW-VXNVDRBHSA-N 2 2 182.267 1.586 20 0 ADADLP C[C@H]([NH2+][C@H](C)C[NH3+])c1ccsc1 235459555 487104750 /nfs/dbraw/zinc/10/47/50/487104750.db2.gz TVZBJEAZZMYWLJ-SFYZADRCSA-N 2 2 184.308 1.746 20 0 ADADLP C[C@H]([NH2+][C@H](C)C[NH3+])c1cccc(F)c1 235459326 487104803 /nfs/dbraw/zinc/10/48/03/487104803.db2.gz NMSTWBRXZZBBTE-BDAKNGLRSA-N 2 2 196.269 1.824 20 0 ADADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(F)c1 235462346 487104956 /nfs/dbraw/zinc/10/49/56/487104956.db2.gz NMSTWBRXZZBBTE-RKDXNWHRSA-N 2 2 196.269 1.824 20 0 ADADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(O)c1 235462391 487105004 /nfs/dbraw/zinc/10/50/04/487105004.db2.gz DWGWLUBJGLITEB-RKDXNWHRSA-N 2 2 194.278 1.390 20 0 ADADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccsc1 235462640 487105036 /nfs/dbraw/zinc/10/50/36/487105036.db2.gz TVZBJEAZZMYWLJ-HTQZYQBOSA-N 2 2 184.308 1.746 20 0 ADADLP C[C@H]([NH2+][C@H](C)C[NH3+])c1cccc(O)c1 235459367 487105132 /nfs/dbraw/zinc/10/51/32/487105132.db2.gz DWGWLUBJGLITEB-BDAKNGLRSA-N 2 2 194.278 1.390 20 0 ADADLP Cc1cc([C@@H](C)[NH2+][C@H](C)C[NH3+])c(C)o1 235461907 487105141 /nfs/dbraw/zinc/10/51/41/487105141.db2.gz GUORLMVZKOKZCQ-VXNVDRBHSA-N 2 2 196.294 1.894 20 0 ADADLP CC(C)=CCC[N@@H+]1CCO[C@H](C[NH3+])C1 238145691 487108187 /nfs/dbraw/zinc/10/81/87/487108187.db2.gz JRKKEPGXNBMOLY-LLVKDONJSA-N 2 2 198.310 1.002 20 0 ADADLP CC(C)=CCC[N@H+]1CCO[C@H](C[NH3+])C1 238145691 487108189 /nfs/dbraw/zinc/10/81/89/487108189.db2.gz JRKKEPGXNBMOLY-LLVKDONJSA-N 2 2 198.310 1.002 20 0 ADADLP CC(C)=CCC[N@@H+]1CCO[C@@H](C[NH3+])C1 238145669 487108676 /nfs/dbraw/zinc/10/86/76/487108676.db2.gz JRKKEPGXNBMOLY-NSHDSACASA-N 2 2 198.310 1.002 20 0 ADADLP CC(C)=CCC[N@H+]1CCO[C@@H](C[NH3+])C1 238145669 487108683 /nfs/dbraw/zinc/10/86/83/487108683.db2.gz JRKKEPGXNBMOLY-NSHDSACASA-N 2 2 198.310 1.002 20 0 ADADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccccc1 238269360 487109425 /nfs/dbraw/zinc/10/94/25/487109425.db2.gz VMEMNIOSBCKSEO-LLVKDONJSA-N 2 2 192.306 1.774 20 0 ADADLP CCCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] 249850845 487111903 /nfs/dbraw/zinc/11/19/03/487111903.db2.gz JJIDFCILGPALQR-QWRGUYRKSA-N 2 2 184.327 1.988 20 0 ADADLP CCCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] 249850845 487111912 /nfs/dbraw/zinc/11/19/12/487111912.db2.gz JJIDFCILGPALQR-QWRGUYRKSA-N 2 2 184.327 1.988 20 0 ADADLP CCCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 249850847 487112079 /nfs/dbraw/zinc/11/20/79/487112079.db2.gz JJIDFCILGPALQR-WDEREUQCSA-N 2 2 184.327 1.988 20 0 ADADLP CCCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 249850847 487112083 /nfs/dbraw/zinc/11/20/83/487112083.db2.gz JJIDFCILGPALQR-WDEREUQCSA-N 2 2 184.327 1.988 20 0 ADADLP CC[C@@H](C)C[N@@H+]1CCC[C@H]1C[NH2+]C 251802205 487120427 /nfs/dbraw/zinc/12/04/27/487120427.db2.gz KQRPSEAQCXRYJL-MNOVXSKESA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@@H](C)C[N@H+]1CCC[C@H]1C[NH2+]C 251802205 487120429 /nfs/dbraw/zinc/12/04/29/487120429.db2.gz KQRPSEAQCXRYJL-MNOVXSKESA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H](C)C[N@@H+]1CCC[C@H]1C[NH2+]C 251802206 487120781 /nfs/dbraw/zinc/12/07/81/487120781.db2.gz KQRPSEAQCXRYJL-QWRGUYRKSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H](C)C[N@H+]1CCC[C@H]1C[NH2+]C 251802206 487120787 /nfs/dbraw/zinc/12/07/87/487120787.db2.gz KQRPSEAQCXRYJL-QWRGUYRKSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]1C)[NH+](C)C 252100944 487121799 /nfs/dbraw/zinc/12/17/99/487121799.db2.gz GGBGOFAHPKSWRR-VWYCJHECSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1C)[NH+](C)C 252100943 487122094 /nfs/dbraw/zinc/12/20/94/487122094.db2.gz GGBGOFAHPKSWRR-OUAUKWLOSA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[NH+](C)C 252458111 487124701 /nfs/dbraw/zinc/12/47/01/487124701.db2.gz LTDBYSFBBXYIFQ-DCAQKATOSA-N 2 2 186.343 1.961 20 0 ADADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C 252458112 487124855 /nfs/dbraw/zinc/12/48/55/487124855.db2.gz LTDBYSFBBXYIFQ-GARJFASQSA-N 2 2 186.343 1.961 20 0 ADADLP c1[nH]c(C[NH+]2CCC3(CC2)CC3)c[nH+]1 684619815 487125292 /nfs/dbraw/zinc/12/52/92/487125292.db2.gz PXEUBJADQMMNDR-UHFFFAOYSA-N 2 2 191.278 1.786 20 0 ADADLP Cc1[nH+]cc(C[NH+]2CCCC2)n1C 258139407 487134193 /nfs/dbraw/zinc/13/41/93/487134193.db2.gz KSKVFUAFLRRFAX-UHFFFAOYSA-N 2 2 179.267 1.324 20 0 ADADLP Cc1[nH+]cc(C[NH2+]C2CCCC2)n1C 258344672 487134810 /nfs/dbraw/zinc/13/48/10/487134810.db2.gz XZJJQLSHQIDUDN-UHFFFAOYSA-N 2 2 193.294 1.761 20 0 ADADLP Cc1[nH+]cc(C[NH+]2CCCCC2)n1C 258273804 487135146 /nfs/dbraw/zinc/13/51/46/487135146.db2.gz SSVGJQYDBXPSOG-UHFFFAOYSA-N 2 2 193.294 1.714 20 0 ADADLP CC(C)([NH3+])C[NH2+]Cc1ccccc1F 258844164 487136103 /nfs/dbraw/zinc/13/61/03/487136103.db2.gz NEYDJDYJQHZBOX-UHFFFAOYSA-N 2 2 196.269 1.653 20 0 ADADLP Cc1ccsc1C[N@@H+](C)[C@H](C)C[NH3+] 260034685 487138017 /nfs/dbraw/zinc/13/80/17/487138017.db2.gz LRSYVFMJVUNQQF-SECBINFHSA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccsc1C[N@H+](C)[C@H](C)C[NH3+] 260034685 487138022 /nfs/dbraw/zinc/13/80/22/487138022.db2.gz LRSYVFMJVUNQQF-SECBINFHSA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccsc1C[N@@H+](C)[C@@H](C)C[NH3+] 260034687 487138179 /nfs/dbraw/zinc/13/81/79/487138179.db2.gz LRSYVFMJVUNQQF-VIFPVBQESA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccsc1C[N@H+](C)[C@@H](C)C[NH3+] 260034687 487138184 /nfs/dbraw/zinc/13/81/84/487138184.db2.gz LRSYVFMJVUNQQF-VIFPVBQESA-N 2 2 198.335 1.836 20 0 ADADLP CC(C)=CC[N@@H+]1CCn2c[nH+]cc2C1 685850132 487150021 /nfs/dbraw/zinc/15/00/21/487150021.db2.gz PUXSMCRVUVCMOL-UHFFFAOYSA-N 2 2 191.278 1.665 20 0 ADADLP CC(C)=CC[N@H+]1CCn2c[nH+]cc2C1 685850132 487150024 /nfs/dbraw/zinc/15/00/24/487150024.db2.gz PUXSMCRVUVCMOL-UHFFFAOYSA-N 2 2 191.278 1.665 20 0 ADADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](C)[NH3+] 306524102 487159873 /nfs/dbraw/zinc/15/98/73/487159873.db2.gz XEIOACLVSAIRHW-IVZWLZJFSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H](C)[NH3+] 306524102 487159875 /nfs/dbraw/zinc/15/98/75/487159875.db2.gz XEIOACLVSAIRHW-IVZWLZJFSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](C)[NH3+] 306524103 487159896 /nfs/dbraw/zinc/15/98/96/487159896.db2.gz XEIOACLVSAIRHW-OPRDCNLKSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](C)[NH3+] 306524103 487159898 /nfs/dbraw/zinc/15/98/98/487159898.db2.gz XEIOACLVSAIRHW-OPRDCNLKSA-N 2 2 170.300 1.454 20 0 ADADLP c1[nH]c(C[NH2+][C@H]2CCC[C@@H]3C[C@H]23)c[nH+]1 307619560 487186867 /nfs/dbraw/zinc/18/68/67/487186867.db2.gz YIDFHRWQGCBOKT-MIMYLULJSA-N 2 2 191.278 1.688 20 0 ADADLP CC(C)[NH2+]CC1([NH+](C)C)CC1 307703916 487189056 /nfs/dbraw/zinc/18/90/56/487189056.db2.gz SDPYCGHKBMLGFI-UHFFFAOYSA-N 2 2 156.273 1.079 20 0 ADADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[NH+](C)C 308492625 487201997 /nfs/dbraw/zinc/20/19/97/487201997.db2.gz ROBKTHHTGMSDMS-WISYIIOYSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[NH+](C)C 308492626 487202124 /nfs/dbraw/zinc/20/21/24/487202124.db2.gz ROBKTHHTGMSDMS-WRWGMCAJSA-N 2 2 196.338 1.715 20 0 ADADLP C[NH+](C)CC(C)(C)[NH2+]CC1CCC1 308607043 487205395 /nfs/dbraw/zinc/20/53/95/487205395.db2.gz FNKPJRWNNBHHJR-UHFFFAOYSA-N 2 2 184.327 1.716 20 0 ADADLP C[NH+](C)CC(C)(C)[NH2+]CCC1CC1 308630044 487205586 /nfs/dbraw/zinc/20/55/86/487205586.db2.gz DGURDLDVTAYUOP-UHFFFAOYSA-N 2 2 184.327 1.716 20 0 ADADLP CCC[NH2+]C(C)(C)C[NH+](C)C 308609215 487205601 /nfs/dbraw/zinc/20/56/01/487205601.db2.gz PBWFHKKIIKCDDT-UHFFFAOYSA-N 2 2 158.289 1.326 20 0 ADADLP C[NH+](C)CC(C)(C)[NH2+]CCCCF 308639010 487206021 /nfs/dbraw/zinc/20/60/21/487206021.db2.gz XUORKGNZTUKBPG-UHFFFAOYSA-N 2 2 190.306 1.666 20 0 ADADLP CC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C[C@@H]1C 321353251 487212843 /nfs/dbraw/zinc/21/28/43/487212843.db2.gz CAWPQWZWEWLFIQ-AXFHLTTASA-N 2 2 184.327 1.572 20 0 ADADLP CC[C@H]([NH2+]CC[NH+](C)C)[C@H]1C[C@H]1C 321353255 487212984 /nfs/dbraw/zinc/21/29/84/487212984.db2.gz CAWPQWZWEWLFIQ-VWYCJHECSA-N 2 2 184.327 1.572 20 0 ADADLP CC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C[C@H]1C 321353254 487213007 /nfs/dbraw/zinc/21/30/07/487213007.db2.gz CAWPQWZWEWLFIQ-MXWKQRLJSA-N 2 2 184.327 1.572 20 0 ADADLP CC[C@H]([NH2+]CC[NH+](C)C)[C@H]1C[C@@H]1C 321353252 487213360 /nfs/dbraw/zinc/21/33/60/487213360.db2.gz CAWPQWZWEWLFIQ-DCAQKATOSA-N 2 2 184.327 1.572 20 0 ADADLP CC[C@H]([NH2+]CC[NH+](C)C)C1CCC1 322845415 487223997 /nfs/dbraw/zinc/22/39/97/487223997.db2.gz NGZSCVYUIRASLX-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@@H]([NH2+]CC[NH+](C)C)C1CCC1 322845414 487224034 /nfs/dbraw/zinc/22/40/34/487224034.db2.gz NGZSCVYUIRASLX-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP C[NH+](C)CC[NH2+][C@H](C1CCC1)C1CC1 324991357 487226244 /nfs/dbraw/zinc/22/62/44/487226244.db2.gz VPRVAWAPYVGEMI-GFCCVEGCSA-N 2 2 196.338 1.716 20 0 ADADLP C[NH+](C)CC[NH2+][C@@H](C1CCC1)C1CC1 324991358 487226429 /nfs/dbraw/zinc/22/64/29/487226429.db2.gz VPRVAWAPYVGEMI-LBPRGKRZSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2CC2)C1 328516487 487226935 /nfs/dbraw/zinc/22/69/35/487226935.db2.gz PTTCCLQXPGJOLB-LLVKDONJSA-N 2 2 182.311 1.470 20 0 ADADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2CC2)C1 328516487 487226938 /nfs/dbraw/zinc/22/69/38/487226938.db2.gz PTTCCLQXPGJOLB-LLVKDONJSA-N 2 2 182.311 1.470 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 328377579 487227053 /nfs/dbraw/zinc/22/70/53/487227053.db2.gz UJTSKAAEDJJTPZ-UTUOFQBUSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 328377579 487227058 /nfs/dbraw/zinc/22/70/58/487227058.db2.gz UJTSKAAEDJJTPZ-UTUOFQBUSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+]CC(C)C)C1 328507864 487227197 /nfs/dbraw/zinc/22/71/97/487227197.db2.gz MCGRLAMPVWRVLR-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+]CC(C)C)C1 328507864 487227201 /nfs/dbraw/zinc/22/72/01/487227201.db2.gz MCGRLAMPVWRVLR-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC(C)C)C1 328507863 487227280 /nfs/dbraw/zinc/22/72/80/487227280.db2.gz MCGRLAMPVWRVLR-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP CCC[N@H+]1CC[C@@H]([NH2+]CC(C)C)C1 328507863 487227284 /nfs/dbraw/zinc/22/72/84/487227284.db2.gz MCGRLAMPVWRVLR-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)C1 328156150 487227406 /nfs/dbraw/zinc/22/74/06/487227406.db2.gz GAPOYMBPYJGTLP-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)C1 328156150 487227410 /nfs/dbraw/zinc/22/74/10/487227410.db2.gz GAPOYMBPYJGTLP-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)C1 328377577 487227525 /nfs/dbraw/zinc/22/75/25/487227525.db2.gz UJTSKAAEDJJTPZ-SRVKXCTJSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)C1 328377577 487227527 /nfs/dbraw/zinc/22/75/27/487227527.db2.gz UJTSKAAEDJJTPZ-SRVKXCTJSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CC2)C1 328156153 487227537 /nfs/dbraw/zinc/22/75/37/487227537.db2.gz GAPOYMBPYJGTLP-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CC2)C1 328156153 487227539 /nfs/dbraw/zinc/22/75/39/487227539.db2.gz GAPOYMBPYJGTLP-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2C)C1 328377578 487227563 /nfs/dbraw/zinc/22/75/63/487227563.db2.gz UJTSKAAEDJJTPZ-TUAOUCFPSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2C)C1 328377578 487227564 /nfs/dbraw/zinc/22/75/64/487227564.db2.gz UJTSKAAEDJJTPZ-TUAOUCFPSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CC2)C1 328156152 487227576 /nfs/dbraw/zinc/22/75/76/487227576.db2.gz GAPOYMBPYJGTLP-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CC2)C1 328156152 487227578 /nfs/dbraw/zinc/22/75/78/487227578.db2.gz GAPOYMBPYJGTLP-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C)C1 328377580 487227627 /nfs/dbraw/zinc/22/76/27/487227627.db2.gz UJTSKAAEDJJTPZ-WOPDTQHZSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C)C1 328377580 487227629 /nfs/dbraw/zinc/22/76/29/487227629.db2.gz UJTSKAAEDJJTPZ-WOPDTQHZSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)C1 328156148 487227680 /nfs/dbraw/zinc/22/76/80/487227680.db2.gz GAPOYMBPYJGTLP-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)C1 328156148 487227682 /nfs/dbraw/zinc/22/76/82/487227682.db2.gz GAPOYMBPYJGTLP-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2CC2)C1 328516489 487228093 /nfs/dbraw/zinc/22/80/93/487228093.db2.gz PTTCCLQXPGJOLB-NSHDSACASA-N 2 2 182.311 1.470 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+]CC2CC2)C1 328516489 487228096 /nfs/dbraw/zinc/22/80/96/487228096.db2.gz PTTCCLQXPGJOLB-NSHDSACASA-N 2 2 182.311 1.470 20 0 ADADLP C[C@@H]1CC(C)(C)C[N@@H+]1CC(C)(C)[NH3+] 334851435 487229117 /nfs/dbraw/zinc/22/91/17/487229117.db2.gz CCXCLLZUIKHICZ-SECBINFHSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@@H]1CC(C)(C)C[N@H+]1CC(C)(C)[NH3+] 334851435 487229120 /nfs/dbraw/zinc/22/91/20/487229120.db2.gz CCXCLLZUIKHICZ-SECBINFHSA-N 2 2 184.327 1.844 20 0 ADADLP [NH3+]CCC[N@@H+]1Cc2cccc(F)c2C1 334856489 487229238 /nfs/dbraw/zinc/22/92/38/487229238.db2.gz ZDHRVCHXWPYFJN-UHFFFAOYSA-N 2 2 194.253 1.490 20 0 ADADLP [NH3+]CCC[N@H+]1Cc2cccc(F)c2C1 334856489 487229241 /nfs/dbraw/zinc/22/92/41/487229241.db2.gz ZDHRVCHXWPYFJN-UHFFFAOYSA-N 2 2 194.253 1.490 20 0 ADADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[NH+](C)C 378892331 487236593 /nfs/dbraw/zinc/23/65/93/487236593.db2.gz ROBKTHHTGMSDMS-WHOHXGKFSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@H]12)[NH+](C)C 378892330 487236875 /nfs/dbraw/zinc/23/68/75/487236875.db2.gz ROBKTHHTGMSDMS-USZNOCQGSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@H]12)[NH+](C)C 378892332 487236951 /nfs/dbraw/zinc/23/69/51/487236951.db2.gz ROBKTHHTGMSDMS-WYUUTHIRSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]CC1(C)CC1 379322875 487237893 /nfs/dbraw/zinc/23/78/93/487237893.db2.gz MAIYVOJCQHBHHD-VIFPVBQESA-N 2 2 170.300 1.326 20 0 ADADLP C[C@H](C[NH2+][C@@H]1CCC12CCC2)[NH+](C)C 379645505 487246915 /nfs/dbraw/zinc/24/69/15/487246915.db2.gz XVFABGJIKZTBOU-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H](C[NH2+][C@H]1CCC12CCC2)[NH+](C)C 379645510 487247001 /nfs/dbraw/zinc/24/70/01/487247001.db2.gz XVFABGJIKZTBOU-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[NH+](C)C 379639934 487247036 /nfs/dbraw/zinc/24/70/36/487247036.db2.gz UGMASINLXHCCSW-JTQLQIEISA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(C)C2)C1 382039802 487249005 /nfs/dbraw/zinc/24/90/05/487249005.db2.gz XEFKEVKFRVMFRJ-MOENNCHZSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(C)C2)C1 382039802 487249011 /nfs/dbraw/zinc/24/90/11/487249011.db2.gz XEFKEVKFRVMFRJ-MOENNCHZSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(C)C2)C1 382039801 487249157 /nfs/dbraw/zinc/24/91/57/487249157.db2.gz XEFKEVKFRVMFRJ-CXQJBGSLSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(C)C2)C1 382039801 487249160 /nfs/dbraw/zinc/24/91/60/487249160.db2.gz XEFKEVKFRVMFRJ-CXQJBGSLSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[NH+](C)C 382315951 487249688 /nfs/dbraw/zinc/24/96/88/487249688.db2.gz ROBKTHHTGMSDMS-KXNHARMFSA-N 2 2 196.338 1.715 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CC2)C1 382363544 487249777 /nfs/dbraw/zinc/24/97/77/487249777.db2.gz RTYIHJXWUFQVCA-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)C1 382363544 487249779 /nfs/dbraw/zinc/24/97/79/487249779.db2.gz RTYIHJXWUFQVCA-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C1 382363538 487249875 /nfs/dbraw/zinc/24/98/75/487249875.db2.gz RTYIHJXWUFQVCA-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C1 382363538 487249878 /nfs/dbraw/zinc/24/98/78/487249878.db2.gz RTYIHJXWUFQVCA-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP CC(C)([NH3+])C[NH2+]Cc1cccc(O)c1 383978083 487252376 /nfs/dbraw/zinc/25/23/76/487252376.db2.gz ROUFINTUPMGESI-UHFFFAOYSA-N 2 2 194.278 1.219 20 0 ADADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC)C1 393270660 487265337 /nfs/dbraw/zinc/26/53/37/487265337.db2.gz ZBSKFTCPGQKGOK-GHMZBOCLSA-N 2 2 184.327 1.859 20 0 ADADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC)C1 393270660 487265339 /nfs/dbraw/zinc/26/53/39/487265339.db2.gz ZBSKFTCPGQKGOK-GHMZBOCLSA-N 2 2 184.327 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC)C1 393270663 487265403 /nfs/dbraw/zinc/26/54/03/487265403.db2.gz ZBSKFTCPGQKGOK-WDEREUQCSA-N 2 2 184.327 1.859 20 0 ADADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC)C1 393270663 487265407 /nfs/dbraw/zinc/26/54/07/487265407.db2.gz ZBSKFTCPGQKGOK-WDEREUQCSA-N 2 2 184.327 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC)C1 393270661 487265664 /nfs/dbraw/zinc/26/56/64/487265664.db2.gz ZBSKFTCPGQKGOK-MNOVXSKESA-N 2 2 184.327 1.859 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC)C1 393270661 487265666 /nfs/dbraw/zinc/26/56/66/487265666.db2.gz ZBSKFTCPGQKGOK-MNOVXSKESA-N 2 2 184.327 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC)C1 393270662 487265734 /nfs/dbraw/zinc/26/57/34/487265734.db2.gz ZBSKFTCPGQKGOK-QWRGUYRKSA-N 2 2 184.327 1.859 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC)C1 393270662 487265736 /nfs/dbraw/zinc/26/57/36/487265736.db2.gz ZBSKFTCPGQKGOK-QWRGUYRKSA-N 2 2 184.327 1.859 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 393408834 487266109 /nfs/dbraw/zinc/26/61/09/487266109.db2.gz YEEZZTLZCKONAF-WHOHXGKFSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H]2C[C@H]12 393408832 487266428 /nfs/dbraw/zinc/26/64/28/487266428.db2.gz YEEZZTLZCKONAF-USZNOCQGSA-N 2 2 196.338 1.715 20 0 ADADLP Cc1ccc(C[NH2+]CC(C)(C)[NH3+])nc1 400832241 487287958 /nfs/dbraw/zinc/28/79/58/487287958.db2.gz QJIOVJACSNMAED-UHFFFAOYSA-N 2 2 193.294 1.217 20 0 ADADLP C[NH2+][C@@H]1CC[N@H+](CCC=C(C)C)C1 397639338 487277893 /nfs/dbraw/zinc/27/78/93/487277893.db2.gz QVPQUPISVUGWHD-LLVKDONJSA-N 2 2 182.311 1.636 20 0 ADADLP C[NH2+][C@@H]1CC[N@@H+](CCC=C(C)C)C1 397639338 487277896 /nfs/dbraw/zinc/27/78/96/487277896.db2.gz QVPQUPISVUGWHD-LLVKDONJSA-N 2 2 182.311 1.636 20 0 ADADLP C[NH2+][C@H]1CC[N@H+](CCC=C(C)C)C1 397639340 487277977 /nfs/dbraw/zinc/27/79/77/487277977.db2.gz QVPQUPISVUGWHD-NSHDSACASA-N 2 2 182.311 1.636 20 0 ADADLP C[NH2+][C@H]1CC[N@@H+](CCC=C(C)C)C1 397639340 487277979 /nfs/dbraw/zinc/27/79/79/487277979.db2.gz QVPQUPISVUGWHD-NSHDSACASA-N 2 2 182.311 1.636 20 0 ADADLP CC(C)[C@H](C)[NH2+]CC1([NH+](C)C)CC1 397800905 487279729 /nfs/dbraw/zinc/27/97/29/487279729.db2.gz AMICQBKMXDIXAL-JTQLQIEISA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 397800906 487279888 /nfs/dbraw/zinc/27/98/88/487279888.db2.gz AMICQBKMXDIXAL-SNVBAGLBSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CCC1 397865522 487280388 /nfs/dbraw/zinc/28/03/88/487280388.db2.gz ZXZHWHIUZYUGDV-SNVBAGLBSA-N 2 2 196.338 1.859 20 0 ADADLP C[NH+](C)C1(C[NH2+]C2CC(C)(C)C2)CC1 397872400 487280495 /nfs/dbraw/zinc/28/04/95/487280495.db2.gz GHWLZUUTMFWYMW-UHFFFAOYSA-N 2 2 196.338 1.859 20 0 ADADLP CCC(CC)[NH2+]CC1([NH+](C)C)CC1 397891711 487280520 /nfs/dbraw/zinc/28/05/20/487280520.db2.gz PCSBKRAJYSWZLK-UHFFFAOYSA-N 2 2 184.327 1.859 20 0 ADADLP C[NH+](C)C1(C[NH2+]CC2CC2)CC1 397876567 487280677 /nfs/dbraw/zinc/28/06/77/487280677.db2.gz ICONPUAUDUCXGN-UHFFFAOYSA-N 2 2 168.284 1.080 20 0 ADADLP CC1CC([NH2+]CC2([NH+](C)C)CC2)C1 397877455 487280694 /nfs/dbraw/zinc/28/06/94/487280694.db2.gz IOOQZQZAQDYYLY-UHFFFAOYSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CCC1 397865519 487280771 /nfs/dbraw/zinc/28/07/71/487280771.db2.gz ZXZHWHIUZYUGDV-JTQLQIEISA-N 2 2 196.338 1.859 20 0 ADADLP C[NH+](C)C1(C[NH2+]C2CCCC2)CC1 397911951 487281255 /nfs/dbraw/zinc/28/12/55/487281255.db2.gz YRYBUIROQYCXFA-UHFFFAOYSA-N 2 2 182.311 1.613 20 0 ADADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CC1 397916390 487281264 /nfs/dbraw/zinc/28/12/64/487281264.db2.gz DVJVMXVAQQDDNO-LLVKDONJSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 397919260 487281316 /nfs/dbraw/zinc/28/13/16/487281316.db2.gz GLTWSVDJIFHMPU-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 397956105 487281366 /nfs/dbraw/zinc/28/13/66/487281366.db2.gz ZKOVYFVEDRKHSE-WDEREUQCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 397956102 487281376 /nfs/dbraw/zinc/28/13/76/487281376.db2.gz ZKOVYFVEDRKHSE-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP C[NH+](C)C1(C[NH2+]Cc2cc[nH]c2)CC1 397916403 487281394 /nfs/dbraw/zinc/28/13/94/487281394.db2.gz DVMXMQPKDCDTIU-UHFFFAOYSA-N 2 2 193.294 1.199 20 0 ADADLP C[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 397919264 487281424 /nfs/dbraw/zinc/28/14/24/487281424.db2.gz GLTWSVDJIFHMPU-WDEREUQCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 397956104 487281436 /nfs/dbraw/zinc/28/14/36/487281436.db2.gz ZKOVYFVEDRKHSE-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H](CC1CC1)[NH2+]CC1([NH+](C)C)CC1 397940897 487281465 /nfs/dbraw/zinc/28/14/65/487281465.db2.gz QDPVCNACTXGFCL-SNVBAGLBSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)C[NH2+]CC1([NH+](C)C)CC1 397908256 487281556 /nfs/dbraw/zinc/28/15/56/487281556.db2.gz XCDKAQGSJMEOEZ-UHFFFAOYSA-N 2 2 170.300 1.326 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 397919262 487281580 /nfs/dbraw/zinc/28/15/80/487281580.db2.gz GLTWSVDJIFHMPU-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP CCC[C@H](C)[NH2+]CC1([NH+](C)C)CC1 397940886 487281614 /nfs/dbraw/zinc/28/16/14/487281614.db2.gz QDHARVRDVGWVGN-JTQLQIEISA-N 2 2 184.327 1.859 20 0 ADADLP CC[C@@H](C)C[NH2+]CC1([NH+](C)C)CC1 397945119 487281637 /nfs/dbraw/zinc/28/16/37/487281637.db2.gz SKSYNGKGFSTRFW-SNVBAGLBSA-N 2 2 184.327 1.716 20 0 ADADLP CCC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 397940887 487281719 /nfs/dbraw/zinc/28/17/19/487281719.db2.gz QDHARVRDVGWVGN-SNVBAGLBSA-N 2 2 184.327 1.859 20 0 ADADLP C[C@@H](CC1CC1)[NH2+]CC1([NH+](C)C)CC1 397940896 487281747 /nfs/dbraw/zinc/28/17/47/487281747.db2.gz QDPVCNACTXGFCL-JTQLQIEISA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H](C)C[NH2+]CC1([NH+](C)C)CC1 397945118 487281752 /nfs/dbraw/zinc/28/17/52/487281752.db2.gz SKSYNGKGFSTRFW-JTQLQIEISA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 397956103 487281821 /nfs/dbraw/zinc/28/18/21/487281821.db2.gz ZKOVYFVEDRKHSE-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP C[NH+](C)C1(C[NH2+]CC(C)(C)C)CC1 397937448 487281840 /nfs/dbraw/zinc/28/18/40/487281840.db2.gz ONQRQWRIXQUIRY-UHFFFAOYSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 397919263 487281886 /nfs/dbraw/zinc/28/18/86/487281886.db2.gz GLTWSVDJIFHMPU-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CC1 397916392 487281919 /nfs/dbraw/zinc/28/19/19/487281919.db2.gz DVJVMXVAQQDDNO-NSHDSACASA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)[C@H]1C[C@@H]1C 666137314 487320728 /nfs/dbraw/zinc/32/07/28/487320728.db2.gz POYWMKDDZGELMY-BJDJZHNGSA-N 2 2 198.354 1.961 20 0 ADADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H]1C[C@@H]1C 666137317 487320807 /nfs/dbraw/zinc/32/08/07/487320807.db2.gz POYWMKDDZGELMY-YFKTTZPYSA-N 2 2 198.354 1.961 20 0 ADADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H]1C[C@H]1C 666137315 487320850 /nfs/dbraw/zinc/32/08/50/487320850.db2.gz POYWMKDDZGELMY-KXNHARMFSA-N 2 2 198.354 1.961 20 0 ADADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)[C@H]1C[C@H]1C 666137316 487320871 /nfs/dbraw/zinc/32/08/71/487320871.db2.gz POYWMKDDZGELMY-RHYQMDGZSA-N 2 2 198.354 1.961 20 0 ADADLP [NH3+]C[C@H]([NH2+]Cc1ccsc1)C1CC1 666746486 487333798 /nfs/dbraw/zinc/33/37/98/487333798.db2.gz JXVBCDFXZGFCNU-JTQLQIEISA-N 2 2 196.319 1.575 20 0 ADADLP [NH3+]C[C@@H]([NH2+]Cc1ccsc1)C1CC1 666746487 487334230 /nfs/dbraw/zinc/33/42/30/487334230.db2.gz JXVBCDFXZGFCNU-SNVBAGLBSA-N 2 2 196.319 1.575 20 0 ADADLP CCC([NH3+])(CC)C[NH2+]Cc1cc[nH]n1 666753697 487334930 /nfs/dbraw/zinc/33/49/30/487334930.db2.gz VGOAHQWQJLQSMG-UHFFFAOYSA-N 2 2 196.298 1.017 20 0 ADADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc[nH]n1 666758739 487335278 /nfs/dbraw/zinc/33/52/78/487335278.db2.gz QUHHTFVGJSBMQN-SECBINFHSA-N 2 2 196.298 1.017 20 0 ADADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc[nH]n1 666758740 487335519 /nfs/dbraw/zinc/33/55/19/487335519.db2.gz QUHHTFVGJSBMQN-VIFPVBQESA-N 2 2 196.298 1.017 20 0 ADADLP CCCC[C@@H](COC)[NH2+]CC[NH2+]C 666778856 487336777 /nfs/dbraw/zinc/33/67/77/487336777.db2.gz LXYUVOYTMRUXBZ-JTQLQIEISA-N 2 2 188.315 1.001 20 0 ADADLP C[NH2+]CC[NH2+]Cc1cc(C)sc1C 666778362 487337003 /nfs/dbraw/zinc/33/70/03/487337003.db2.gz SYWJHODFRQQBBY-UHFFFAOYSA-N 2 2 198.335 1.674 20 0 ADADLP C[NH2+]CC[NH2+]C/C=C\c1ccccc1 666777105 487337013 /nfs/dbraw/zinc/33/70/13/487337013.db2.gz ASJUVHZRHDYVKS-YVMONPNESA-N 2 2 190.290 1.509 20 0 ADADLP C[NH2+]CC[NH2+]C/C=C/c1ccccc1 666777104 487337026 /nfs/dbraw/zinc/33/70/26/487337026.db2.gz ASJUVHZRHDYVKS-VMPITWQZSA-N 2 2 190.290 1.509 20 0 ADADLP CCCC[C@H](COC)[NH2+]CC[NH2+]C 666778857 487337065 /nfs/dbraw/zinc/33/70/65/487337065.db2.gz LXYUVOYTMRUXBZ-SNVBAGLBSA-N 2 2 188.315 1.001 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)Cc1ccsc1 666779025 487337299 /nfs/dbraw/zinc/33/72/99/487337299.db2.gz YOECIDLECIARJI-VIFPVBQESA-N 2 2 198.335 1.488 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)Cc1ccsc1 666779024 487337349 /nfs/dbraw/zinc/33/73/49/487337349.db2.gz YOECIDLECIARJI-SECBINFHSA-N 2 2 198.335 1.488 20 0 ADADLP CC[NH2+]CC[NH2+]Cc1cnccc1C 666782354 487339322 /nfs/dbraw/zinc/33/93/22/487339322.db2.gz XBKLSAFFPUUCDG-UHFFFAOYSA-N 2 2 193.294 1.089 20 0 ADADLP CCC[NH2+]CC[NH2+][C@@H](C)COCC 666820076 487340487 /nfs/dbraw/zinc/34/04/87/487340487.db2.gz XUBUJCQQFSEGND-JTQLQIEISA-N 2 2 188.315 1.001 20 0 ADADLP CCC[NH2+]CC[NH2+][C@@H](CC)COC 666820826 487340447 /nfs/dbraw/zinc/34/04/47/487340447.db2.gz LZNMFZSHZRVERB-JTQLQIEISA-N 2 2 188.315 1.001 20 0 ADADLP CCC[NH2+]CC[NH2+][C@H](CC)COC 666820827 487340656 /nfs/dbraw/zinc/34/06/56/487340656.db2.gz LZNMFZSHZRVERB-SNVBAGLBSA-N 2 2 188.315 1.001 20 0 ADADLP CCC[NH2+]CC[NH2+][C@H](C)COCC 666820077 487340832 /nfs/dbraw/zinc/34/08/32/487340832.db2.gz XUBUJCQQFSEGND-SNVBAGLBSA-N 2 2 188.315 1.001 20 0 ADADLP Cc1cc(C[NH2+][C@H](C)C[NH3+])c(C)s1 666866771 487343003 /nfs/dbraw/zinc/34/30/03/487343003.db2.gz VHWAXKABLWIKDW-SSDOTTSWSA-N 2 2 198.335 1.802 20 0 ADADLP CCc1ncc(C[NH2+][C@H](C)C[NH3+])s1 666866760 487343616 /nfs/dbraw/zinc/34/36/16/487343616.db2.gz KHZHDNQQVVDDIZ-SSDOTTSWSA-N 2 2 199.323 1.142 20 0 ADADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccnc1 666876018 487344981 /nfs/dbraw/zinc/34/49/81/487344981.db2.gz SUMLHZRMPFUXMT-SNVBAGLBSA-N 2 2 193.294 1.169 20 0 ADADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccsc1 666875974 487345013 /nfs/dbraw/zinc/34/50/13/487345013.db2.gz DQMPNXHCGMITRR-SECBINFHSA-N 2 2 198.335 1.836 20 0 ADADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccncc1 666875960 487345620 /nfs/dbraw/zinc/34/56/20/487345620.db2.gz ADCNIOREXCQEFK-SNVBAGLBSA-N 2 2 193.294 1.169 20 0 ADADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C)cn1 666910454 487348179 /nfs/dbraw/zinc/34/81/79/487348179.db2.gz OZJQFLJBVJDXLI-SNVBAGLBSA-N 2 2 193.294 1.217 20 0 ADADLP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(O)c1 666909249 487348473 /nfs/dbraw/zinc/34/84/73/487348473.db2.gz ABNXYTYVDBJKBA-SNVBAGLBSA-N 2 2 194.278 1.219 20 0 ADADLP CC[C@@H]([NH3+])C[NH2+]Cc1cccnc1C 666910474 487348481 /nfs/dbraw/zinc/34/84/81/487348481.db2.gz WJUITABERMAWRV-LLVKDONJSA-N 2 2 193.294 1.217 20 0 ADADLP CC[C@H]([NH3+])C[NH2+]Cc1cccc(O)c1 666909248 487348524 /nfs/dbraw/zinc/34/85/24/487348524.db2.gz ABNXYTYVDBJKBA-JTQLQIEISA-N 2 2 194.278 1.219 20 0 ADADLP CC[C@H]([NH3+])C[NH2+]Cc1cccnc1C 666910475 487348572 /nfs/dbraw/zinc/34/85/72/487348572.db2.gz WJUITABERMAWRV-NSHDSACASA-N 2 2 193.294 1.217 20 0 ADADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C)cn1 666910453 487348714 /nfs/dbraw/zinc/34/87/14/487348714.db2.gz OZJQFLJBVJDXLI-JTQLQIEISA-N 2 2 193.294 1.217 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+][C@@H](CC[NH3+])C(F)F 666916741 487348818 /nfs/dbraw/zinc/34/88/18/487348818.db2.gz KHSWANZPZRSRMH-CSMHCCOUSA-N 2 2 192.253 1.215 20 0 ADADLP CC[C@H](C)C[NH2+][C@H](CC[NH3+])C(F)F 666916776 487348823 /nfs/dbraw/zinc/34/88/23/487348823.db2.gz WWWRMBYCFCTCMM-JGVFFNPUSA-N 2 2 194.269 1.605 20 0 ADADLP CC(C)C[NH2+][C@H](CC[NH3+])C(F)F 666915493 487348881 /nfs/dbraw/zinc/34/88/81/487348881.db2.gz PQQXYQSDAHWJIL-SSDOTTSWSA-N 2 2 180.242 1.215 20 0 ADADLP CC[C@@H](C)C[NH2+][C@@H](CC[NH3+])C(F)F 666916777 487348908 /nfs/dbraw/zinc/34/89/08/487348908.db2.gz WWWRMBYCFCTCMM-SFYZADRCSA-N 2 2 194.269 1.605 20 0 ADADLP CC[C@H](C)C[NH2+][C@@H](CC[NH3+])C(F)F 666916778 487348948 /nfs/dbraw/zinc/34/89/48/487348948.db2.gz WWWRMBYCFCTCMM-YUMQZZPRSA-N 2 2 194.269 1.605 20 0 ADADLP CC[C@H]([NH3+])C[NH2+]Cc1cnccc1C 666911704 487349060 /nfs/dbraw/zinc/34/90/60/487349060.db2.gz XLBPLONLAQQPBJ-NSHDSACASA-N 2 2 193.294 1.217 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H](CC[NH3+])C(F)F 666916743 487349069 /nfs/dbraw/zinc/34/90/69/487349069.db2.gz KHSWANZPZRSRMH-PRJMDXOYSA-N 2 2 192.253 1.215 20 0 ADADLP CC1(C[NH2+][C@H](CC[NH3+])C(F)F)CC1 666916763 487349129 /nfs/dbraw/zinc/34/91/29/487349129.db2.gz SGHZGBOCJDEEGE-SSDOTTSWSA-N 2 2 192.253 1.359 20 0 ADADLP CC(C)C[NH2+][C@@H](CC[NH3+])C(F)F 666915494 487349184 /nfs/dbraw/zinc/34/91/84/487349184.db2.gz PQQXYQSDAHWJIL-ZETCQYMHSA-N 2 2 180.242 1.215 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+][C@H](CC[NH3+])C(F)F 666916742 487349200 /nfs/dbraw/zinc/34/92/00/487349200.db2.gz KHSWANZPZRSRMH-GJMOJQLCSA-N 2 2 192.253 1.215 20 0 ADADLP CC[C@@H](C)C[NH2+][C@H](CC[NH3+])C(F)F 666916775 487349269 /nfs/dbraw/zinc/34/92/69/487349269.db2.gz WWWRMBYCFCTCMM-HTQZYQBOSA-N 2 2 194.269 1.605 20 0 ADADLP CC(C)(C)C[NH2+][C@@H](CC[NH3+])C(F)F 666914635 487349324 /nfs/dbraw/zinc/34/93/24/487349324.db2.gz MXTIPMFYALVIHF-ZETCQYMHSA-N 2 2 194.269 1.605 20 0 ADADLP CC[C@@H]([NH3+])C[NH2+]Cc1cnccc1C 666911703 487349337 /nfs/dbraw/zinc/34/93/37/487349337.db2.gz XLBPLONLAQQPBJ-LLVKDONJSA-N 2 2 193.294 1.217 20 0 ADADLP CC(C)(C)C[NH2+][C@H](CC[NH3+])C(F)F 666914631 487349343 /nfs/dbraw/zinc/34/93/43/487349343.db2.gz MXTIPMFYALVIHF-SSDOTTSWSA-N 2 2 194.269 1.605 20 0 ADADLP CC1(C[NH2+][C@@H](CC[NH3+])C(F)F)CC1 666916764 487349362 /nfs/dbraw/zinc/34/93/62/487349362.db2.gz SGHZGBOCJDEEGE-ZETCQYMHSA-N 2 2 192.253 1.359 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+][C@H](CC[NH3+])C(F)F 666916740 487349441 /nfs/dbraw/zinc/34/94/41/487349441.db2.gz KHSWANZPZRSRMH-BWZBUEFSSA-N 2 2 192.253 1.215 20 0 ADADLP F[C@@H]1C[NH2+][C@H](C[NH2+]C2CCCC2)C1 666946887 487350532 /nfs/dbraw/zinc/35/05/32/487350532.db2.gz SGEGHFPCZKVPLM-WPRPVWTQSA-N 2 2 186.274 1.219 20 0 ADADLP CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 666946418 487350587 /nfs/dbraw/zinc/35/05/87/487350587.db2.gz BDWZSDOZDPINKZ-GUBZILKMSA-N 2 2 188.290 1.465 20 0 ADADLP CC[C@H](C)C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 666948225 487350597 /nfs/dbraw/zinc/35/05/97/487350597.db2.gz XJIARQMIOZNQFA-GUBZILKMSA-N 2 2 188.290 1.322 20 0 ADADLP CC1(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 666948187 487350607 /nfs/dbraw/zinc/35/06/07/487350607.db2.gz UMCHBYILZIKHSJ-IUCAKERBSA-N 2 2 186.274 1.076 20 0 ADADLP CC1CC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 666948013 487350615 /nfs/dbraw/zinc/35/06/15/487350615.db2.gz PTTOWYKIOMLRLB-LRHRNSLUSA-N 2 2 186.274 1.075 20 0 ADADLP CC(C)(C)C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 666945450 487350671 /nfs/dbraw/zinc/35/06/71/487350671.db2.gz QXPJFGFJSQCZIM-IUCAKERBSA-N 2 2 188.290 1.322 20 0 ADADLP CC[C@@H](C)C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 666948226 487350627 /nfs/dbraw/zinc/35/06/27/487350627.db2.gz XJIARQMIOZNQFA-UTLUCORTSA-N 2 2 188.290 1.322 20 0 ADADLP CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 666946419 487350636 /nfs/dbraw/zinc/35/06/36/487350636.db2.gz BDWZSDOZDPINKZ-UTLUCORTSA-N 2 2 188.290 1.465 20 0 ADADLP Cc1[nH+]cc(C[N@@H+](C)C(C)C)n1C 667472988 487355524 /nfs/dbraw/zinc/35/55/24/487355524.db2.gz YTTVMYMMJSDRHW-UHFFFAOYSA-N 2 2 181.283 1.569 20 0 ADADLP Cc1[nH+]cc(C[N@H+](C)C(C)C)n1C 667472988 487355526 /nfs/dbraw/zinc/35/55/26/487355526.db2.gz YTTVMYMMJSDRHW-UHFFFAOYSA-N 2 2 181.283 1.569 20 0 ADADLP CCC[N@H+](C)Cc1c[nH+]c(C)n1C 667496446 487355631 /nfs/dbraw/zinc/35/56/31/487355631.db2.gz VCUAAPMOWMLXPT-UHFFFAOYSA-N 2 2 181.283 1.570 20 0 ADADLP CCC[N@@H+](C)Cc1c[nH+]c(C)n1C 667496446 487355634 /nfs/dbraw/zinc/35/56/34/487355634.db2.gz VCUAAPMOWMLXPT-UHFFFAOYSA-N 2 2 181.283 1.570 20 0 ADADLP CC[N@H+](Cc1c[nH+]c(C)n1C)C1CC1 667500792 487355683 /nfs/dbraw/zinc/35/56/83/487355683.db2.gz BAQKBOXBBQYEGH-UHFFFAOYSA-N 2 2 193.294 1.713 20 0 ADADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)C1CC1 667500792 487355686 /nfs/dbraw/zinc/35/56/86/487355686.db2.gz BAQKBOXBBQYEGH-UHFFFAOYSA-N 2 2 193.294 1.713 20 0 ADADLP CC[NH+](CC)Cc1c[nH+]c(C)n1C 667470009 487355722 /nfs/dbraw/zinc/35/57/22/487355722.db2.gz MDLFHTQYOGBLPR-UHFFFAOYSA-N 2 2 181.283 1.570 20 0 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582609018 /nfs/dbraw/zinc/60/90/18/582609018.db2.gz UVOBITRZWTYTQH-HBMQMAGWSA-N 2 2 188.702 1.327 20 0 ADADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C/Cl 902521802 582609057 /nfs/dbraw/zinc/60/90/57/582609057.db2.gz UVOBITRZWTYTQH-DTBGECHCSA-N 2 2 188.702 1.327 20 0 ADADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C/C=C/Cl 902520847 582609143 /nfs/dbraw/zinc/60/91/43/582609143.db2.gz POLKEMUWDMRAGJ-AFRAPRFESA-N 2 2 188.702 1.469 20 0 ADADLP C[C@@H]([NH2+]C/C=C\Cl)[C@H]1CCC[NH2+]1 902522887 582609218 /nfs/dbraw/zinc/60/92/18/582609218.db2.gz ZDLDAVHTOLAGEU-NUDHGDNISA-N 2 2 188.702 1.469 20 0 ADADLP C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCC[NH2+]1 902522886 582609235 /nfs/dbraw/zinc/60/92/35/582609235.db2.gz ZDLDAVHTOLAGEU-LPMXFETPSA-N 2 2 188.702 1.469 20 0 ADADLP C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCC[NH2+]1 902522882 582609251 /nfs/dbraw/zinc/60/92/51/582609251.db2.gz ZDLDAVHTOLAGEU-AFRAPRFESA-N 2 2 188.702 1.469 20 0 ADADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C\Cl 902521805 582609271 /nfs/dbraw/zinc/60/92/71/582609271.db2.gz UVOBITRZWTYTQH-SJLHTBIVSA-N 2 2 188.702 1.327 20 0 ADADLP C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCC[NH2+]1 902522885 582609330 /nfs/dbraw/zinc/60/93/30/582609330.db2.gz ZDLDAVHTOLAGEU-KRALRXKRSA-N 2 2 188.702 1.469 20 0 ADADLP C[C@@H]([NH2+]C/C=C/Cl)[C@@H]1CCC[NH2+]1 902522888 582609337 /nfs/dbraw/zinc/60/93/37/582609337.db2.gz ZDLDAVHTOLAGEU-ZHBVTVBMSA-N 2 2 188.702 1.469 20 0 ADADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C/C=C\Cl 902520852 582609492 /nfs/dbraw/zinc/60/94/92/582609492.db2.gz POLKEMUWDMRAGJ-LPMXFETPSA-N 2 2 188.702 1.469 20 0 ADADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C\Cl 902521804 582609541 /nfs/dbraw/zinc/60/95/41/582609541.db2.gz UVOBITRZWTYTQH-HWTYGCMBSA-N 2 2 188.702 1.327 20 0 ADADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C/C=C/Cl 902519715 582609567 /nfs/dbraw/zinc/60/95/67/582609567.db2.gz MFYMCHAWCRWDDY-RYEJSQLPSA-N 2 2 188.702 1.469 20 0 ADADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C\Cl 902520849 582609599 /nfs/dbraw/zinc/60/95/99/582609599.db2.gz POLKEMUWDMRAGJ-ATBIPZOJSA-N 2 2 188.702 1.469 20 0 ADADLP F[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 902994523 582620071 /nfs/dbraw/zinc/62/00/71/582620071.db2.gz DMDXRBJAEMFRFP-JTQLQIEISA-N 2 2 197.257 1.317 20 0 ADADLP F[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 902994523 582620072 /nfs/dbraw/zinc/62/00/72/582620072.db2.gz DMDXRBJAEMFRFP-JTQLQIEISA-N 2 2 197.257 1.317 20 0 ADADLP F[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 902994524 582620185 /nfs/dbraw/zinc/62/01/85/582620185.db2.gz DMDXRBJAEMFRFP-SNVBAGLBSA-N 2 2 197.257 1.317 20 0 ADADLP F[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 902994524 582620186 /nfs/dbraw/zinc/62/01/86/582620186.db2.gz DMDXRBJAEMFRFP-SNVBAGLBSA-N 2 2 197.257 1.317 20 0 ADADLP CC[NH+](CC)CCCN1CC=CC[NH2+]1 903489684 582625723 /nfs/dbraw/zinc/62/57/23/582625723.db2.gz XDQNHBYCURVADZ-UHFFFAOYSA-N 2 2 197.326 1.095 20 0 ADADLP [NH3+]CCCCCCCN1CC=CC[NH2+]1 903489238 582625867 /nfs/dbraw/zinc/62/58/67/582625867.db2.gz JMVUPHHKYPRZPP-UHFFFAOYSA-N 2 2 197.326 1.272 20 0 ADADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccsc1 903960269 582630138 /nfs/dbraw/zinc/63/01/38/582630138.db2.gz BLEMQUHHNOXVAS-PSASIEDQSA-N 2 2 196.319 1.446 20 0 ADADLP CC(C)c1ccc(NCCC[NH3+])c[nH+]1 903987559 582630806 /nfs/dbraw/zinc/63/08/06/582630806.db2.gz GWUSXSMSHFQVIK-UHFFFAOYSA-N 2 2 193.294 1.966 20 0 ADADLP Cc1ccc(NC2CC(C[NH3+])C2)c[nH+]1 904367120 582636196 /nfs/dbraw/zinc/63/61/96/582636196.db2.gz VYZMLSMHCCKXBL-UHFFFAOYSA-N 2 2 191.278 1.539 20 0 ADADLP CCCC[NH2+][C@H]1CCn2cc[nH+]c2C1 906527297 582655999 /nfs/dbraw/zinc/65/59/99/582655999.db2.gz DXUWMKPWBXDZSS-JTQLQIEISA-N 2 2 193.294 1.588 20 0 ADADLP CCCC[NH2+][C@@H]1CCn2cc[nH+]c2C1 906527302 582656415 /nfs/dbraw/zinc/65/64/15/582656415.db2.gz DXUWMKPWBXDZSS-SNVBAGLBSA-N 2 2 193.294 1.588 20 0 ADADLP CCCC[NH2+][C@H]1CC[N@H+](CC2CC2)C1 906529210 582656814 /nfs/dbraw/zinc/65/68/14/582656814.db2.gz HSDZGNQHRHARIX-LBPRGKRZSA-N 2 2 196.338 1.860 20 0 ADADLP CCCC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 906529210 582656816 /nfs/dbraw/zinc/65/68/16/582656816.db2.gz HSDZGNQHRHARIX-LBPRGKRZSA-N 2 2 196.338 1.860 20 0 ADADLP CCCC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 906529209 582656883 /nfs/dbraw/zinc/65/68/83/582656883.db2.gz HSDZGNQHRHARIX-GFCCVEGCSA-N 2 2 196.338 1.860 20 0 ADADLP CCCC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 906529209 582656885 /nfs/dbraw/zinc/65/68/85/582656885.db2.gz HSDZGNQHRHARIX-GFCCVEGCSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 158473324 582663974 /nfs/dbraw/zinc/66/39/74/582663974.db2.gz DDMAFAWOBFPRTG-WOPDTQHZSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 158473324 582663976 /nfs/dbraw/zinc/66/39/76/582663976.db2.gz DDMAFAWOBFPRTG-WOPDTQHZSA-N 2 2 196.338 1.988 20 0 ADADLP C[NH+](C)CC[NH2+][C@H]1CCC12CCCC2 393683096 582676039 /nfs/dbraw/zinc/67/60/39/582676039.db2.gz NCGNWWUXUFAOLC-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP CC(C)C1([NH2+]Cc2c[nH+]c[nH]2)CC1 378799087 582677313 /nfs/dbraw/zinc/67/73/13/582677313.db2.gz SKVPLWLDRSUUHU-UHFFFAOYSA-N 2 2 179.267 1.688 20 0 ADADLP Cc1cc(F)ccc1[C@H](C)[NH2+]CC[NH3+] 817934641 582685857 /nfs/dbraw/zinc/68/58/57/582685857.db2.gz AAWJLDRPTJXDFQ-VIFPVBQESA-N 2 2 196.269 1.743 20 0 ADADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[NH3+] 817934609 582686360 /nfs/dbraw/zinc/68/63/60/582686360.db2.gz AAWJLDRPTJXDFQ-SECBINFHSA-N 2 2 196.269 1.743 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+]CC[NH+]1CCCC1 161647825 582701715 /nfs/dbraw/zinc/70/17/15/582701715.db2.gz AVRMLHCUFCSBGL-GHMZBOCLSA-N 2 2 182.311 1.328 20 0 ADADLP C[C@H]1C[C@H]1C[NH2+]CC[NH+]1CCCC1 161648259 582701826 /nfs/dbraw/zinc/70/18/26/582701826.db2.gz AVRMLHCUFCSBGL-QWRGUYRKSA-N 2 2 182.311 1.328 20 0 ADADLP C[C@H]1C[C@@H]1C[NH2+]CC[NH+]1CCCC1 161647968 582701932 /nfs/dbraw/zinc/70/19/32/582701932.db2.gz AVRMLHCUFCSBGL-WDEREUQCSA-N 2 2 182.311 1.328 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+]CC[NH+]1CCCC1 161648112 582702164 /nfs/dbraw/zinc/70/21/64/582702164.db2.gz AVRMLHCUFCSBGL-MNOVXSKESA-N 2 2 182.311 1.328 20 0 ADADLP CC(C)[NH2+]CC[N@H+](C)C(C)C 19363885 582703369 /nfs/dbraw/zinc/70/33/69/582703369.db2.gz KLFSSBKMQZMQIF-UHFFFAOYSA-N 2 2 158.289 1.325 20 0 ADADLP CC(C)[NH2+]CC[N@@H+](C)C(C)C 19363885 582703372 /nfs/dbraw/zinc/70/33/72/582703372.db2.gz KLFSSBKMQZMQIF-UHFFFAOYSA-N 2 2 158.289 1.325 20 0 ADADLP CC(C)[C@H](C)[NH2+]CC[NH+](C)C 22144706 582705460 /nfs/dbraw/zinc/70/54/60/582705460.db2.gz RVBGHBJQWYVZIL-VIFPVBQESA-N 2 2 158.289 1.182 20 0 ADADLP C[C@H]([NH2+]CC[NH+](C)C)c1ccccc1 22142062 582705506 /nfs/dbraw/zinc/70/55/06/582705506.db2.gz UUGWRWPEHPOCER-NSHDSACASA-N 2 2 192.306 1.899 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CC[NH+](C)C 22144704 582705645 /nfs/dbraw/zinc/70/56/45/582705645.db2.gz RVBGHBJQWYVZIL-SECBINFHSA-N 2 2 158.289 1.182 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C1CCC1 379075593 582711860 /nfs/dbraw/zinc/71/18/60/582711860.db2.gz DOTZGFYENKIXGY-VHSXEESVSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCC1 379075592 582711780 /nfs/dbraw/zinc/71/17/80/582711780.db2.gz DOTZGFYENKIXGY-UWVGGRQHSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 42409724 582711988 /nfs/dbraw/zinc/71/19/88/582711988.db2.gz RBJIFYUAIUMBCV-JTQLQIEISA-N 2 2 184.327 1.716 20 0 ADADLP C[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 42409724 582711991 /nfs/dbraw/zinc/71/19/91/582711991.db2.gz RBJIFYUAIUMBCV-JTQLQIEISA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 42409723 582712246 /nfs/dbraw/zinc/71/22/46/582712246.db2.gz RBJIFYUAIUMBCV-SNVBAGLBSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 42409723 582712248 /nfs/dbraw/zinc/71/22/48/582712248.db2.gz RBJIFYUAIUMBCV-SNVBAGLBSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 378808206 582712376 /nfs/dbraw/zinc/71/23/76/582712376.db2.gz YEEZZTLZCKONAF-NNYUYHANSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 378808207 582712549 /nfs/dbraw/zinc/71/25/49/582712549.db2.gz YEEZZTLZCKONAF-YFKTTZPYSA-N 2 2 196.338 1.715 20 0 ADADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H]2C[C@H]2C1 886346488 582736990 /nfs/dbraw/zinc/73/69/90/582736990.db2.gz JQTOHNLJVPCWKA-PHIMTYICSA-N 2 2 191.278 1.143 20 0 ADADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H]2C[C@H]2C1 886346488 582736992 /nfs/dbraw/zinc/73/69/92/582736992.db2.gz JQTOHNLJVPCWKA-PHIMTYICSA-N 2 2 191.278 1.143 20 0 ADADLP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C 745945057 582744591 /nfs/dbraw/zinc/74/45/91/582744591.db2.gz YJCSWMWUBFKHRR-NEPJUHHUSA-N 2 2 196.338 1.955 20 0 ADADLP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C 745945057 582744592 /nfs/dbraw/zinc/74/45/92/582744592.db2.gz YJCSWMWUBFKHRR-NEPJUHHUSA-N 2 2 196.338 1.955 20 0 ADADLP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C 745945057 582744593 /nfs/dbraw/zinc/74/45/93/582744593.db2.gz YJCSWMWUBFKHRR-NEPJUHHUSA-N 2 2 196.338 1.955 20 0 ADADLP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C 745945057 582744594 /nfs/dbraw/zinc/74/45/94/582744594.db2.gz YJCSWMWUBFKHRR-NEPJUHHUSA-N 2 2 196.338 1.955 20 0 ADADLP FCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 759344516 582803065 /nfs/dbraw/zinc/80/30/65/582803065.db2.gz RIFMYCXBEGHTHD-VIFPVBQESA-N 2 2 197.257 1.559 20 0 ADADLP FCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 759344516 582803067 /nfs/dbraw/zinc/80/30/67/582803067.db2.gz RIFMYCXBEGHTHD-VIFPVBQESA-N 2 2 197.257 1.559 20 0 ADADLP FCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 759344515 582803088 /nfs/dbraw/zinc/80/30/88/582803088.db2.gz RIFMYCXBEGHTHD-SECBINFHSA-N 2 2 197.257 1.559 20 0 ADADLP FCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 759344515 582803091 /nfs/dbraw/zinc/80/30/91/582803091.db2.gz RIFMYCXBEGHTHD-SECBINFHSA-N 2 2 197.257 1.559 20 0 ADADLP FCC[NH+]1CCC(n2cc[nH+]c2)CC1 759343413 582803451 /nfs/dbraw/zinc/80/34/51/582803451.db2.gz UVISULXXAFRDFA-UHFFFAOYSA-N 2 2 197.257 1.490 20 0 ADADLP CC[N@H+](CCn1cc[nH+]c1)C(C)C 762376358 582815781 /nfs/dbraw/zinc/81/57/81/582815781.db2.gz CSRYWOODIYXTNG-UHFFFAOYSA-N 2 2 181.283 1.613 20 0 ADADLP CC[N@@H+](CCn1cc[nH+]c1)C(C)C 762376358 582815782 /nfs/dbraw/zinc/81/57/82/582815782.db2.gz CSRYWOODIYXTNG-UHFFFAOYSA-N 2 2 181.283 1.613 20 0 ADADLP Cn1c[nH+]cc1CC[N@H+](C)CCCF 887142331 582818605 /nfs/dbraw/zinc/81/86/05/582818605.db2.gz FUFQCXSGJYFSBO-UHFFFAOYSA-N 2 2 199.273 1.254 20 0 ADADLP Cn1c[nH+]cc1CC[N@@H+](C)CCCF 887142331 582818607 /nfs/dbraw/zinc/81/86/07/582818607.db2.gz FUFQCXSGJYFSBO-UHFFFAOYSA-N 2 2 199.273 1.254 20 0 ADADLP C[NH2+]CC[N@H+](C)CCCC(C)(C)C 300779681 582853864 /nfs/dbraw/zinc/85/38/64/582853864.db2.gz BBCQJTXSIJWCKA-UHFFFAOYSA-N 2 2 186.343 1.964 20 0 ADADLP C[NH2+]CC[N@@H+](C)CCCC(C)(C)C 300779681 582853866 /nfs/dbraw/zinc/85/38/66/582853866.db2.gz BBCQJTXSIJWCKA-UHFFFAOYSA-N 2 2 186.343 1.964 20 0 ADADLP CC(C)C(N)=[NH+]OCc1c[nH+]cn1C 774782948 582860411 /nfs/dbraw/zinc/86/04/11/582860411.db2.gz HEDJMEWABMRPBH-UHFFFAOYSA-N 2 2 196.254 1.075 20 0 ADADLP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)C[NH3+] 817969495 582999179 /nfs/dbraw/zinc/99/91/79/582999179.db2.gz DTQRSMFXQUYZQH-UWVGGRQHSA-N 2 2 193.294 1.388 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccoc1 817969497 582999195 /nfs/dbraw/zinc/99/91/95/582999195.db2.gz DTSVHLHXFZJWAK-JGVFFNPUSA-N 2 2 168.240 1.277 20 0 ADADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] 817969496 582999412 /nfs/dbraw/zinc/99/94/12/582999412.db2.gz DTQRSMFXQUYZQH-VHSXEESVSA-N 2 2 193.294 1.388 20 0 ADADLP Cc1cncc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c1 817969347 582999706 /nfs/dbraw/zinc/99/97/06/582999706.db2.gz BXWFUDNGBRITLH-VHSXEESVSA-N 2 2 193.294 1.388 20 0 ADADLP Cc1cncc([C@H](C)[NH2+][C@@H](C)C[NH3+])c1 817969342 582999907 /nfs/dbraw/zinc/99/99/07/582999907.db2.gz BXWFUDNGBRITLH-UWVGGRQHSA-N 2 2 193.294 1.388 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccoc1 817969592 582999913 /nfs/dbraw/zinc/99/99/13/582999913.db2.gz DTSVHLHXFZJWAK-YUMQZZPRSA-N 2 2 168.240 1.277 20 0 ADADLP Cc1cc([C@H](C)[NH2+][C@@H](C)C[NH3+])oc1C 817970565 583001135 /nfs/dbraw/zinc/00/11/35/583001135.db2.gz ZZIPNRVMTAWGDJ-IUCAKERBSA-N 2 2 196.294 1.894 20 0 ADADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])o1 817970442 583001370 /nfs/dbraw/zinc/00/13/70/583001370.db2.gz VHMUBRXXTUUPGG-IUCAKERBSA-N 2 2 196.294 1.840 20 0 ADADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])o1 817970441 583001406 /nfs/dbraw/zinc/00/14/06/583001406.db2.gz VHMUBRXXTUUPGG-DTWKUNHWSA-N 2 2 196.294 1.840 20 0 ADADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)C[NH3+])oc1C 817970564 583001713 /nfs/dbraw/zinc/00/17/13/583001713.db2.gz ZZIPNRVMTAWGDJ-DTWKUNHWSA-N 2 2 196.294 1.894 20 0 ADADLP Cl/C=C/C[N@@H+]1CCc2[nH+]c[nH]c2C1 821268966 583026540 /nfs/dbraw/zinc/02/65/40/583026540.db2.gz BGKPOHKXVTURNQ-HNQUOIGGSA-N 2 2 197.669 1.520 20 0 ADADLP Cl/C=C/C[N@H+]1CCc2[nH+]c[nH]c2C1 821268966 583026544 /nfs/dbraw/zinc/02/65/44/583026544.db2.gz BGKPOHKXVTURNQ-HNQUOIGGSA-N 2 2 197.669 1.520 20 0 ADADLP Cl/C=C\C[N@@H+]1CCc2[nH+]c[nH]c2C1 821268974 583027167 /nfs/dbraw/zinc/02/71/67/583027167.db2.gz BGKPOHKXVTURNQ-IWQZZHSRSA-N 2 2 197.669 1.520 20 0 ADADLP Cl/C=C\C[N@H+]1CCc2[nH+]c[nH]c2C1 821268974 583027170 /nfs/dbraw/zinc/02/71/70/583027170.db2.gz BGKPOHKXVTURNQ-IWQZZHSRSA-N 2 2 197.669 1.520 20 0 ADADLP Cl/C=C\C[N@@H+]1CCn2c[nH+]cc2C1 821270406 583027604 /nfs/dbraw/zinc/02/76/04/583027604.db2.gz LJTHNPTUDCJOAN-UPHRSURJSA-N 2 2 197.669 1.451 20 0 ADADLP Cl/C=C\C[N@H+]1CCn2c[nH+]cc2C1 821270406 583027607 /nfs/dbraw/zinc/02/76/07/583027607.db2.gz LJTHNPTUDCJOAN-UPHRSURJSA-N 2 2 197.669 1.451 20 0 ADADLP Cl/C=C/C[N@@H+]1CCn2c[nH+]cc2C1 821270404 583028197 /nfs/dbraw/zinc/02/81/97/583028197.db2.gz LJTHNPTUDCJOAN-OWOJBTEDSA-N 2 2 197.669 1.451 20 0 ADADLP Cl/C=C/C[N@H+]1CCn2c[nH+]cc2C1 821270404 583028199 /nfs/dbraw/zinc/02/81/99/583028199.db2.gz LJTHNPTUDCJOAN-OWOJBTEDSA-N 2 2 197.669 1.451 20 0 ADADLP CC[N@H+](Cc1c[nH+]c(C)n1C)C(C)C 824549230 583044854 /nfs/dbraw/zinc/04/48/54/583044854.db2.gz ZONSLJUUGZVQIO-UHFFFAOYSA-N 2 2 195.310 1.959 20 0 ADADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)C(C)C 824549230 583044857 /nfs/dbraw/zinc/04/48/57/583044857.db2.gz ZONSLJUUGZVQIO-UHFFFAOYSA-N 2 2 195.310 1.959 20 0 ADADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)[NH+](C)C 824987991 583046278 /nfs/dbraw/zinc/04/62/78/583046278.db2.gz FRTKTJUEKRZSDQ-MVWJERBFSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)[NH+](C)C 824987996 583046332 /nfs/dbraw/zinc/04/63/32/583046332.db2.gz FRTKTJUEKRZSDQ-ZMLRMANQSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H](C[NH2+][C@H]1CC[C@H]1C1CC1)[NH+](C)C 824987985 583046369 /nfs/dbraw/zinc/04/63/69/583046369.db2.gz FRTKTJUEKRZSDQ-DLOVCJGASA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)[NH+](C)C 824987994 583046381 /nfs/dbraw/zinc/04/63/81/583046381.db2.gz FRTKTJUEKRZSDQ-WCQGTBRESA-N 2 2 196.338 1.715 20 0 ADADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C)nc1 841072549 583112175 /nfs/dbraw/zinc/11/21/75/583112175.db2.gz PLJJPKFZLXYPKZ-NSHDSACASA-N 2 2 193.294 1.217 20 0 ADADLP CCc1ncc(C[NH2+][C@@H](C)C[NH3+])s1 841063456 583111858 /nfs/dbraw/zinc/11/18/58/583111858.db2.gz KHZHDNQQVVDDIZ-ZETCQYMHSA-N 2 2 199.323 1.142 20 0 ADADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C)nc1 841072548 583111929 /nfs/dbraw/zinc/11/19/29/583111929.db2.gz PLJJPKFZLXYPKZ-LLVKDONJSA-N 2 2 193.294 1.217 20 0 ADADLP C[C@@H](C[NH3+])[NH2+]Cc1cccnc1Cl 841064590 583111941 /nfs/dbraw/zinc/11/19/41/583111941.db2.gz ZKGMKESIFQVBEK-ZETCQYMHSA-N 2 2 199.685 1.172 20 0 ADADLP C[C@H](C[NH3+])[NH2+]Cc1cccnc1Cl 841060537 583112321 /nfs/dbraw/zinc/11/23/21/583112321.db2.gz ZKGMKESIFQVBEK-SSDOTTSWSA-N 2 2 199.685 1.172 20 0 ADADLP Cc1cc(C[NH2+][C@@H](C)C[NH3+])c(C)s1 841064195 583112418 /nfs/dbraw/zinc/11/24/18/583112418.db2.gz VHWAXKABLWIKDW-ZETCQYMHSA-N 2 2 198.335 1.802 20 0 ADADLP FCC[N@@H+](C1CC[NH2+]CC1)C1CC1 843345614 583131901 /nfs/dbraw/zinc/13/19/01/583131901.db2.gz AKJGJXRSJWRXDW-UHFFFAOYSA-N 2 2 186.274 1.172 20 0 ADADLP FCC[N@H+](C1CC[NH2+]CC1)C1CC1 843345614 583131902 /nfs/dbraw/zinc/13/19/02/583131902.db2.gz AKJGJXRSJWRXDW-UHFFFAOYSA-N 2 2 186.274 1.172 20 0 ADADLP CC(C)(C)[C@H](C[NH3+])[NH2+]C/C=C/Cl 846220763 583153718 /nfs/dbraw/zinc/15/37/18/583153718.db2.gz PQWZQCNCXXMQRG-ZJELKQJVSA-N 2 2 190.718 1.702 20 0 ADADLP CC(C)(C)[C@H](C[NH3+])[NH2+]C/C=C\Cl 846220760 583153955 /nfs/dbraw/zinc/15/39/55/583153955.db2.gz PQWZQCNCXXMQRG-LGYSABEFSA-N 2 2 190.718 1.702 20 0 ADADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]C/C=C\Cl 846220761 583153981 /nfs/dbraw/zinc/15/39/81/583153981.db2.gz PQWZQCNCXXMQRG-PULIVWKDSA-N 2 2 190.718 1.702 20 0 ADADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]C/C=C/Cl 846220762 583154150 /nfs/dbraw/zinc/15/41/50/583154150.db2.gz PQWZQCNCXXMQRG-WTSVBCDHSA-N 2 2 190.718 1.702 20 0 ADADLP C1CC[NH+](CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)C1 852635486 583208230 /nfs/dbraw/zinc/20/82/30/583208230.db2.gz NFVZQIBPNVIVAX-VXGBXAGGSA-N 2 2 194.322 1.424 20 0 ADADLP C1CC[NH+](CC[N@H+]2CC[C@@H]3C[C@@H]3C2)C1 852635486 583208234 /nfs/dbraw/zinc/20/82/34/583208234.db2.gz NFVZQIBPNVIVAX-VXGBXAGGSA-N 2 2 194.322 1.424 20 0 ADADLP C1CC[NH+](CC[N@@H+]2CC[C@H]3C[C@H]3C2)C1 852635485 583210158 /nfs/dbraw/zinc/21/01/58/583210158.db2.gz NFVZQIBPNVIVAX-RYUDHWBXSA-N 2 2 194.322 1.424 20 0 ADADLP C1CC[NH+](CC[N@H+]2CC[C@H]3C[C@H]3C2)C1 852635485 583210161 /nfs/dbraw/zinc/21/01/61/583210161.db2.gz NFVZQIBPNVIVAX-RYUDHWBXSA-N 2 2 194.322 1.424 20 0 ADADLP Cc1cc(NCC(C)(C)[NH3+])ccc1[NH3+] 853250723 583217057 /nfs/dbraw/zinc/21/70/57/583217057.db2.gz YOYOILNFBGHFAK-UHFFFAOYSA-N 2 2 193.294 1.726 20 0 ADADLP C[C@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 858483584 583270800 /nfs/dbraw/zinc/27/08/00/583270800.db2.gz SZCYBDRZZDFDHN-HBNTYKKESA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C 858483584 583270803 /nfs/dbraw/zinc/27/08/03/583270803.db2.gz SZCYBDRZZDFDHN-HBNTYKKESA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 858483583 583271076 /nfs/dbraw/zinc/27/10/76/583271076.db2.gz SZCYBDRZZDFDHN-AXFHLTTASA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C 858483583 583271081 /nfs/dbraw/zinc/27/10/81/583271081.db2.gz SZCYBDRZZDFDHN-AXFHLTTASA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)nc1 201062763 583280330 /nfs/dbraw/zinc/28/03/30/583280330.db2.gz CWVGTSJWBLKTLZ-SSDOTTSWSA-N 2 2 199.685 1.172 20 0 ADADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)nc1 201062729 583280687 /nfs/dbraw/zinc/28/06/87/583280687.db2.gz CWVGTSJWBLKTLZ-ZETCQYMHSA-N 2 2 199.685 1.172 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(N)c1 863569806 583310992 /nfs/dbraw/zinc/31/09/92/583310992.db2.gz PRGNTTWQLHBMJJ-VIFPVBQESA-N 2 2 193.294 1.048 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(N)c1 863569806 583310995 /nfs/dbraw/zinc/31/09/95/583310995.db2.gz PRGNTTWQLHBMJJ-VIFPVBQESA-N 2 2 193.294 1.048 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(N)c1 863569805 583311218 /nfs/dbraw/zinc/31/12/18/583311218.db2.gz PRGNTTWQLHBMJJ-SECBINFHSA-N 2 2 193.294 1.048 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(N)c1 863569805 583311219 /nfs/dbraw/zinc/31/12/19/583311219.db2.gz PRGNTTWQLHBMJJ-SECBINFHSA-N 2 2 193.294 1.048 20 0 ADADLP Cc1cc([NH2+]CCC[NH3+])ccc1N 205167756 583323450 /nfs/dbraw/zinc/32/34/50/583323450.db2.gz LTGGKDVGJFNEGM-UHFFFAOYSA-N 2 2 179.267 1.338 20 0 ADADLP C[N@H+](CCCCCC[NH3+])CC(F)F 122589186 583341999 /nfs/dbraw/zinc/34/19/99/583341999.db2.gz GINJKVKTGBHLAY-UHFFFAOYSA-N 2 2 194.269 1.702 20 0 ADADLP C[N@@H+](CCCCCC[NH3+])CC(F)F 122589186 583342001 /nfs/dbraw/zinc/34/20/01/583342001.db2.gz GINJKVKTGBHLAY-UHFFFAOYSA-N 2 2 194.269 1.702 20 0 ADADLP CCCC[NH2+]CC(C)(C)[NH+](C)C 20125908 583377136 /nfs/dbraw/zinc/37/71/36/583377136.db2.gz NRAFVCIZZIZZHJ-UHFFFAOYSA-N 2 2 172.316 1.716 20 0 ADADLP C[N@H+](C/C=C/Cl)[C@H](C[NH3+])C1CC1 126707135 583397386 /nfs/dbraw/zinc/39/73/86/583397386.db2.gz KRFNUOAACMBTMN-OSOUNJMWSA-N 2 2 188.702 1.408 20 0 ADADLP C[N@@H+](C/C=C/Cl)[C@H](C[NH3+])C1CC1 126707135 583397391 /nfs/dbraw/zinc/39/73/91/583397391.db2.gz KRFNUOAACMBTMN-OSOUNJMWSA-N 2 2 188.702 1.408 20 0 ADADLP C[N@H+](C/C=C/Cl)[C@@H](C[NH3+])C1CC1 126706933 583397437 /nfs/dbraw/zinc/39/74/37/583397437.db2.gz KRFNUOAACMBTMN-MAHOQKISSA-N 2 2 188.702 1.408 20 0 ADADLP C[N@@H+](C/C=C/Cl)[C@@H](C[NH3+])C1CC1 126706933 583397438 /nfs/dbraw/zinc/39/74/38/583397438.db2.gz KRFNUOAACMBTMN-MAHOQKISSA-N 2 2 188.702 1.408 20 0 ADADLP Cl/C=C\C[N@@H+]1CCC[NH2+]CC1 210745121 583427061 /nfs/dbraw/zinc/42/70/61/583427061.db2.gz JURIOQMHHBLVSZ-IWQZZHSRSA-N 2 2 174.675 1.034 20 0 ADADLP Cl/C=C\C[N@H+]1CCC[NH2+]CC1 210745121 583427063 /nfs/dbraw/zinc/42/70/63/583427063.db2.gz JURIOQMHHBLVSZ-IWQZZHSRSA-N 2 2 174.675 1.034 20 0 ADADLP FC1CC[NH+](CCn2cc[nH+]c2)CC1 880239653 583428108 /nfs/dbraw/zinc/42/81/08/583428108.db2.gz BFTYNLXROFCOAT-UHFFFAOYSA-N 2 2 197.257 1.317 20 0 ADADLP FC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 880297805 583429231 /nfs/dbraw/zinc/42/92/31/583429231.db2.gz UIGVPPJQSVFYAP-JTQLQIEISA-N 2 2 197.257 1.175 20 0 ADADLP FC[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 880297805 583429230 /nfs/dbraw/zinc/42/92/30/583429230.db2.gz UIGVPPJQSVFYAP-JTQLQIEISA-N 2 2 197.257 1.175 20 0 ADADLP FC[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 880297806 583429713 /nfs/dbraw/zinc/42/97/13/583429713.db2.gz UIGVPPJQSVFYAP-SNVBAGLBSA-N 2 2 197.257 1.175 20 0 ADADLP FC[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 880297806 583429715 /nfs/dbraw/zinc/42/97/15/583429715.db2.gz UIGVPPJQSVFYAP-SNVBAGLBSA-N 2 2 197.257 1.175 20 0 ADADLP C[NH2+]C[C@H]1CC[N@H+](C/C=C\Cl)C1 214449266 583463294 /nfs/dbraw/zinc/46/32/94/583463294.db2.gz BYIDJAPICZCYKD-FIFYQCSRSA-N 2 2 188.702 1.280 20 0 ADADLP C[NH2+]C[C@H]1CC[N@@H+](C/C=C\Cl)C1 214449266 583463296 /nfs/dbraw/zinc/46/32/96/583463296.db2.gz BYIDJAPICZCYKD-FIFYQCSRSA-N 2 2 188.702 1.280 20 0 ADADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C1)C1CCC1 133283022 583471640 /nfs/dbraw/zinc/47/16/40/583471640.db2.gz NBTGKGKQWDXXPU-ONGXEEELSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C1)C1CCC1 133283022 583471643 /nfs/dbraw/zinc/47/16/43/583471643.db2.gz NBTGKGKQWDXXPU-ONGXEEELSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C1)C1CCC1 133283248 583471686 /nfs/dbraw/zinc/47/16/86/583471686.db2.gz NBTGKGKQWDXXPU-KOLCDFICSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C1)C1CCC1 133283248 583471690 /nfs/dbraw/zinc/47/16/90/583471690.db2.gz NBTGKGKQWDXXPU-KOLCDFICSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C1)C1CCC1 133282596 583471814 /nfs/dbraw/zinc/47/18/14/583471814.db2.gz NBTGKGKQWDXXPU-GXSJLCMTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C1)C1CCC1 133282596 583471816 /nfs/dbraw/zinc/47/18/16/583471816.db2.gz NBTGKGKQWDXXPU-GXSJLCMTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C1)C1CCC1 133282829 583471983 /nfs/dbraw/zinc/47/19/83/583471983.db2.gz NBTGKGKQWDXXPU-MWLCHTKSSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C1)C1CCC1 133282829 583471987 /nfs/dbraw/zinc/47/19/87/583471987.db2.gz NBTGKGKQWDXXPU-MWLCHTKSSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2ccccc2)[NH2+]1 136000137 583487257 /nfs/dbraw/zinc/48/72/57/583487257.db2.gz RIRLOSAVSUPMQW-JLLWLGSASA-N 2 2 190.290 1.827 20 0 ADADLP C[C@@H]1CC[C@H]([NH3+])[C@H](c2ccccc2)[NH2+]1 136000069 583487366 /nfs/dbraw/zinc/48/73/66/583487366.db2.gz RIRLOSAVSUPMQW-USWWRNFRSA-N 2 2 190.290 1.827 20 0 ADADLP C[N@H+](CCCF)CCn1cc[nH+]c1 887141554 583506680 /nfs/dbraw/zinc/50/66/80/583506680.db2.gz ZOVYGPWSPLOBSF-UHFFFAOYSA-N 2 2 185.246 1.175 20 0 ADADLP C[N@@H+](CCCF)CCn1cc[nH+]c1 887141554 583506684 /nfs/dbraw/zinc/50/66/84/583506684.db2.gz ZOVYGPWSPLOBSF-UHFFFAOYSA-N 2 2 185.246 1.175 20 0 ADADLP Cc1cc(C)cc(C[N@H+](C)CC[NH3+])c1 38076858 490013840 /nfs/dbraw/zinc/01/38/40/490013840.db2.gz SQAGTWDHKBLNFO-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP Cc1cc(C)cc(C[N@@H+](C)CC[NH3+])c1 38076858 490013844 /nfs/dbraw/zinc/01/38/44/490013844.db2.gz SQAGTWDHKBLNFO-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP C[NH2+]CC[NH2+]Cc1cccs1 40397580 490014247 /nfs/dbraw/zinc/01/42/47/490014247.db2.gz MNXMUFIXMRFWKE-UHFFFAOYSA-N 2 2 170.281 1.057 20 0 ADADLP c1csc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 40397544 490014306 /nfs/dbraw/zinc/01/43/06/490014306.db2.gz GEIJEHWFFWZYAK-SECBINFHSA-N 2 2 196.319 1.590 20 0 ADADLP c1csc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 40397542 490014320 /nfs/dbraw/zinc/01/43/20/490014320.db2.gz GEIJEHWFFWZYAK-VIFPVBQESA-N 2 2 196.319 1.590 20 0 ADADLP [NH3+][C@H](C[NH2+]CC1CC1)c1ccccc1 40409492 490014515 /nfs/dbraw/zinc/01/45/15/490014515.db2.gz WUUNGZAOGBMJGT-GFCCVEGCSA-N 2 2 190.290 1.686 20 0 ADADLP CC(C)C[NH2+]C[C@@H]([NH3+])c1ccccc1 40408602 490014526 /nfs/dbraw/zinc/01/45/26/490014526.db2.gz ZGUBJFOHYCQTJE-GFCCVEGCSA-N 2 2 192.306 1.932 20 0 ADADLP [NH3+][C@@H](C[NH2+]CC1CC1)c1ccccc1 40409496 490014569 /nfs/dbraw/zinc/01/45/69/490014569.db2.gz WUUNGZAOGBMJGT-LBPRGKRZSA-N 2 2 190.290 1.686 20 0 ADADLP CC(C)C[NH2+]C[C@H]([NH3+])c1ccccc1 40408598 490014799 /nfs/dbraw/zinc/01/47/99/490014799.db2.gz ZGUBJFOHYCQTJE-LBPRGKRZSA-N 2 2 192.306 1.932 20 0 ADADLP CC(C)[N@H+](C)CC[NH2+]C(C)(C)C 42302484 490014887 /nfs/dbraw/zinc/01/48/87/490014887.db2.gz PFBPGBPEGAOJOM-UHFFFAOYSA-N 2 2 172.316 1.715 20 0 ADADLP CC(C)[N@@H+](C)CC[NH2+]C(C)(C)C 42302484 490014889 /nfs/dbraw/zinc/01/48/89/490014889.db2.gz PFBPGBPEGAOJOM-UHFFFAOYSA-N 2 2 172.316 1.715 20 0 ADADLP CCC[N@H+](CC1CC1)CC(C)(C)[NH3+] 42491181 490015153 /nfs/dbraw/zinc/01/51/53/490015153.db2.gz SJUTVFIKRISEHN-UHFFFAOYSA-N 2 2 184.327 1.846 20 0 ADADLP CCC[N@@H+](CC1CC1)CC(C)(C)[NH3+] 42491181 490015156 /nfs/dbraw/zinc/01/51/56/490015156.db2.gz SJUTVFIKRISEHN-UHFFFAOYSA-N 2 2 184.327 1.846 20 0 ADADLP CC[N@@H+](Cc1cccs1)C[C@H](C)[NH3+] 42488286 490015337 /nfs/dbraw/zinc/01/53/37/490015337.db2.gz NZEQCLLWGMYLDS-VIFPVBQESA-N 2 2 198.335 1.917 20 0 ADADLP CC[N@H+](Cc1cccs1)C[C@H](C)[NH3+] 42488286 490015341 /nfs/dbraw/zinc/01/53/41/490015341.db2.gz NZEQCLLWGMYLDS-VIFPVBQESA-N 2 2 198.335 1.917 20 0 ADADLP CC[N@H+](CC[NH3+])Cc1cccs1 42472746 490015425 /nfs/dbraw/zinc/01/54/25/490015425.db2.gz TYKRCCZUJPPBGQ-UHFFFAOYSA-N 2 2 184.308 1.529 20 0 ADADLP CC[N@@H+](CC[NH3+])Cc1cccs1 42472746 490015428 /nfs/dbraw/zinc/01/54/28/490015428.db2.gz TYKRCCZUJPPBGQ-UHFFFAOYSA-N 2 2 184.308 1.529 20 0 ADADLP CC[N@@H+](Cc1cccs1)C[C@@H](C)[NH3+] 42488285 490015470 /nfs/dbraw/zinc/01/54/70/490015470.db2.gz NZEQCLLWGMYLDS-SECBINFHSA-N 2 2 198.335 1.917 20 0 ADADLP CC[N@H+](Cc1cccs1)C[C@@H](C)[NH3+] 42488285 490015473 /nfs/dbraw/zinc/01/54/73/490015473.db2.gz NZEQCLLWGMYLDS-SECBINFHSA-N 2 2 198.335 1.917 20 0 ADADLP Cc1ccc2c(c1)C[N@@H+](CC[NH3+])CC2 71494831 490020183 /nfs/dbraw/zinc/02/01/83/490020183.db2.gz VCLLOMUVQCVXDL-UHFFFAOYSA-N 2 2 190.290 1.312 20 0 ADADLP Cc1ccc2c(c1)C[N@H+](CC[NH3+])CC2 71494831 490020189 /nfs/dbraw/zinc/02/01/89/490020189.db2.gz VCLLOMUVQCVXDL-UHFFFAOYSA-N 2 2 190.290 1.312 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+](C)C)[C@H](C)C1 78465625 490024160 /nfs/dbraw/zinc/02/41/60/490024160.db2.gz YHLGFNRRILKGRP-IJLUTSLNSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+](C)C)[C@H](C)C1 78465615 490024379 /nfs/dbraw/zinc/02/43/79/490024379.db2.gz YHLGFNRRILKGRP-UTUOFQBUSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@H](C[N@@H+]1CCC[NH2+]CC1)C(C)(C)C 125880073 490035030 /nfs/dbraw/zinc/03/50/30/490035030.db2.gz JGDWZFVSHBAFSG-LLVKDONJSA-N 2 2 198.354 1.964 20 0 ADADLP C[C@H](C[N@H+]1CCC[NH2+]CC1)C(C)(C)C 125880073 490035034 /nfs/dbraw/zinc/03/50/34/490035034.db2.gz JGDWZFVSHBAFSG-LLVKDONJSA-N 2 2 198.354 1.964 20 0 ADADLP C[C@@H](C[N@@H+]1CCC[NH2+]CC1)C(C)(C)C 125879871 490035383 /nfs/dbraw/zinc/03/53/83/490035383.db2.gz JGDWZFVSHBAFSG-NSHDSACASA-N 2 2 198.354 1.964 20 0 ADADLP C[C@@H](C[N@H+]1CCC[NH2+]CC1)C(C)(C)C 125879871 490035386 /nfs/dbraw/zinc/03/53/86/490035386.db2.gz JGDWZFVSHBAFSG-NSHDSACASA-N 2 2 198.354 1.964 20 0 ADADLP Cc1cccc(C)c1C[N@H+](C)CC[NH3+] 126173181 490036657 /nfs/dbraw/zinc/03/66/57/490036657.db2.gz ZTPNRFHJGSPJGD-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP Cc1cccc(C)c1C[N@@H+](C)CC[NH3+] 126173181 490036658 /nfs/dbraw/zinc/03/66/58/490036658.db2.gz ZTPNRFHJGSPJGD-UHFFFAOYSA-N 2 2 192.306 1.694 20 0 ADADLP C[N@H+](CC[NH2+]C(C)(C)C)C1CCC1 127296738 490041833 /nfs/dbraw/zinc/04/18/33/490041833.db2.gz JWGFOIHYBGIWAZ-UHFFFAOYSA-N 2 2 184.327 1.859 20 0 ADADLP C[N@@H+](CC[NH2+]C(C)(C)C)C1CCC1 127296738 490041836 /nfs/dbraw/zinc/04/18/36/490041836.db2.gz JWGFOIHYBGIWAZ-UHFFFAOYSA-N 2 2 184.327 1.859 20 0 ADADLP C[C@@H]1C[C@@H]([NH2+]CC2CC2)C[N@@H+]1C1CC1 129880904 490054112 /nfs/dbraw/zinc/05/41/12/490054112.db2.gz FKBJJIABKPBNST-MWLCHTKSSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1C[C@@H]([NH2+]CC2CC2)C[N@H+]1C1CC1 129880904 490054115 /nfs/dbraw/zinc/05/41/15/490054115.db2.gz FKBJJIABKPBNST-MWLCHTKSSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]1C[C@H]([NH2+]CC2CC2)C[N@@H+]1C1CC1 129880734 490054244 /nfs/dbraw/zinc/05/42/44/490054244.db2.gz FKBJJIABKPBNST-ONGXEEELSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]1C[C@H]([NH2+]CC2CC2)C[N@H+]1C1CC1 129880734 490054246 /nfs/dbraw/zinc/05/42/46/490054246.db2.gz FKBJJIABKPBNST-ONGXEEELSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1C[C@H]([NH2+]CC2CC2)C[N@@H+]1C1CC1 129880525 490054476 /nfs/dbraw/zinc/05/44/76/490054476.db2.gz FKBJJIABKPBNST-KOLCDFICSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1C[C@H]([NH2+]CC2CC2)C[N@H+]1C1CC1 129880525 490054478 /nfs/dbraw/zinc/05/44/78/490054478.db2.gz FKBJJIABKPBNST-KOLCDFICSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]1C[C@@H]([NH2+]CC2CC2)C[N@@H+]1C1CC1 129881124 490054532 /nfs/dbraw/zinc/05/45/32/490054532.db2.gz FKBJJIABKPBNST-GXSJLCMTSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]1C[C@@H]([NH2+]CC2CC2)C[N@H+]1C1CC1 129881124 490054535 /nfs/dbraw/zinc/05/45/35/490054535.db2.gz FKBJJIABKPBNST-GXSJLCMTSA-N 2 2 194.322 1.611 20 0 ADADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1CC1 130149810 490054831 /nfs/dbraw/zinc/05/48/31/490054831.db2.gz WMIMVYYIRKWZPC-ONGXEEELSA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C[NH+](C)C 130170060 490054910 /nfs/dbraw/zinc/05/49/10/490054910.db2.gz SJUJMQZPCCZRHF-VWYCJHECSA-N 2 2 186.343 1.961 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCSC1 130060694 490054921 /nfs/dbraw/zinc/05/49/21/490054921.db2.gz FVGBRWSGPMNXAT-DTWKUNHWSA-N 2 2 188.340 1.032 20 0 ADADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C 130169842 490054930 /nfs/dbraw/zinc/05/49/30/490054930.db2.gz SJUJMQZPCCZRHF-GARJFASQSA-N 2 2 186.343 1.961 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCSC1 130061132 490054863 /nfs/dbraw/zinc/05/48/63/490054863.db2.gz FVGBRWSGPMNXAT-IUCAKERBSA-N 2 2 188.340 1.032 20 0 ADADLP C[C@H]1CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 130118013 490054997 /nfs/dbraw/zinc/05/49/97/490054997.db2.gz ONWLHIXGCIBYDW-DCAQKATOSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C)C1 130118252 490055083 /nfs/dbraw/zinc/05/50/83/490055083.db2.gz ONWLHIXGCIBYDW-OUAUKWLOSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CC1 130093121 490055108 /nfs/dbraw/zinc/05/51/08/490055108.db2.gz TWJFYFGGHXGUPK-IUCAKERBSA-N 2 2 170.300 1.325 20 0 ADADLP CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CC1 130150034 490055116 /nfs/dbraw/zinc/05/51/16/490055116.db2.gz WMIMVYYIRKWZPC-GXSJLCMTSA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C 130169645 490055124 /nfs/dbraw/zinc/05/51/24/490055124.db2.gz SJUJMQZPCCZRHF-OUAUKWLOSA-N 2 2 186.343 1.961 20 0 ADADLP CCC(CC)[NH2+][C@@H](C)C[NH+](C)C 130165007 490055147 /nfs/dbraw/zinc/05/51/47/490055147.db2.gz WKRRSTKQPAPZAT-VIFPVBQESA-N 2 2 172.316 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCCC1 130158962 490055160 /nfs/dbraw/zinc/05/51/60/490055160.db2.gz SPXIRXPFSRGDDL-VIFPVBQESA-N 2 2 170.300 1.469 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C1CC1 130093507 490055215 /nfs/dbraw/zinc/05/52/15/490055215.db2.gz TWJFYFGGHXGUPK-DTWKUNHWSA-N 2 2 170.300 1.325 20 0 ADADLP C[C@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 130118481 490055319 /nfs/dbraw/zinc/05/53/19/490055319.db2.gz ONWLHIXGCIBYDW-GARJFASQSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](C)C1 130117779 490055463 /nfs/dbraw/zinc/05/54/63/490055463.db2.gz ONWLHIXGCIBYDW-VWYCJHECSA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH+](C)C 130170250 490055490 /nfs/dbraw/zinc/05/54/90/490055490.db2.gz SJUJMQZPCCZRHF-DCAQKATOSA-N 2 2 186.343 1.961 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H]1C 130185800 490055837 /nfs/dbraw/zinc/05/58/37/490055837.db2.gz BDGANWMVQACRKL-VWYCJHECSA-N 2 2 184.327 1.715 20 0 ADADLP CCC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C 130204382 490055845 /nfs/dbraw/zinc/05/58/45/490055845.db2.gz CVJCGUGRFJFHDG-UWVGGRQHSA-N 2 2 172.316 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCCCC1 130203727 490055860 /nfs/dbraw/zinc/05/58/60/490055860.db2.gz NHHFHILYMANNBP-JTQLQIEISA-N 2 2 184.327 1.859 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H]1C 130185996 490055881 /nfs/dbraw/zinc/05/58/81/490055881.db2.gz BDGANWMVQACRKL-DCAQKATOSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]1C 130186459 490055889 /nfs/dbraw/zinc/05/58/89/490055889.db2.gz BDGANWMVQACRKL-GARJFASQSA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[C@H](C)[NH2+][C@@H](C)C[NH+](C)C 130199853 490055895 /nfs/dbraw/zinc/05/58/95/490055895.db2.gz ZTKNPOMFZLJDHA-UWVGGRQHSA-N 2 2 172.316 1.571 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H]1C 130186243 490055932 /nfs/dbraw/zinc/05/59/32/490055932.db2.gz BDGANWMVQACRKL-OUAUKWLOSA-N 2 2 184.327 1.715 20 0 ADADLP CCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C 130204185 490056001 /nfs/dbraw/zinc/05/60/01/490056001.db2.gz CVJCGUGRFJFHDG-ZJUUUORDSA-N 2 2 172.316 1.715 20 0 ADADLP CC(C)[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C 130199654 490056019 /nfs/dbraw/zinc/05/60/19/490056019.db2.gz ZTKNPOMFZLJDHA-VHSXEESVSA-N 2 2 172.316 1.571 20 0 ADADLP CCCCOCC[N@H+](C)[C@@H](C)C[NH3+] 158507438 490058630 /nfs/dbraw/zinc/05/86/30/490058630.db2.gz KQEAVSVIZVCNAZ-JTQLQIEISA-N 2 2 188.315 1.082 20 0 ADADLP CCCCOCC[N@@H+](C)[C@@H](C)C[NH3+] 158507438 490058633 /nfs/dbraw/zinc/05/86/33/490058633.db2.gz KQEAVSVIZVCNAZ-JTQLQIEISA-N 2 2 188.315 1.082 20 0 ADADLP CCCCOCC[N@H+](C)[C@H](C)C[NH3+] 158507567 490058639 /nfs/dbraw/zinc/05/86/39/490058639.db2.gz KQEAVSVIZVCNAZ-SNVBAGLBSA-N 2 2 188.315 1.082 20 0 ADADLP CCCCOCC[N@@H+](C)[C@H](C)C[NH3+] 158507567 490058642 /nfs/dbraw/zinc/05/86/42/490058642.db2.gz KQEAVSVIZVCNAZ-SNVBAGLBSA-N 2 2 188.315 1.082 20 0 ADADLP Cc1occc1C[NH2+]CCC[NH+](C)C 163609390 490059042 /nfs/dbraw/zinc/05/90/42/490059042.db2.gz MHSXXWWDUBZSFP-UHFFFAOYSA-N 2 2 196.294 1.629 20 0 ADADLP CC1CC([NH2+]CC2([NH+](C)C)CCC2)C1 219265152 490072706 /nfs/dbraw/zinc/07/27/06/490072706.db2.gz JSMZWBQAWMUYMY-UHFFFAOYSA-N 2 2 196.338 1.859 20 0 ADADLP [NH3+]CC[NH+]1CCC(C2CCCC2)CC1 219568413 490073551 /nfs/dbraw/zinc/07/35/51/490073551.db2.gz CPBKAIVHDQNRLF-UHFFFAOYSA-N 2 2 196.338 1.847 20 0 ADADLP C[C@H]([NH3+])C[NH+]1C[C@H](C)S[C@@H](C)C1 226682921 490083470 /nfs/dbraw/zinc/08/34/70/490083470.db2.gz LGDLMHSUWAZNNG-CIUDSAMLSA-N 2 2 188.340 1.159 20 0 ADADLP CC[N@H+](CC1CCC1)CC(C)(C)[NH3+] 230321099 490084454 /nfs/dbraw/zinc/08/44/54/490084454.db2.gz SSIHBQHCGMLITF-UHFFFAOYSA-N 2 2 184.327 1.846 20 0 ADADLP CC[N@@H+](CC1CCC1)CC(C)(C)[NH3+] 230321099 490084458 /nfs/dbraw/zinc/08/44/58/490084458.db2.gz SSIHBQHCGMLITF-UHFFFAOYSA-N 2 2 184.327 1.846 20 0 ADADLP CC[N@H+](CC[NH3+])CCc1cccs1 231360790 490085396 /nfs/dbraw/zinc/08/53/96/490085396.db2.gz NUMPVOVDGKZLRE-UHFFFAOYSA-N 2 2 198.335 1.571 20 0 ADADLP CC[N@@H+](CC[NH3+])CCc1cccs1 231360790 490085402 /nfs/dbraw/zinc/08/54/02/490085402.db2.gz NUMPVOVDGKZLRE-UHFFFAOYSA-N 2 2 198.335 1.571 20 0 ADADLP CC[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](C)[NH3+])C1 306191213 490116193 /nfs/dbraw/zinc/11/61/93/490116193.db2.gz XTPKSUYNNIDTGE-GMTAPVOTSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](C)[NH3+])C1 306191213 490116199 /nfs/dbraw/zinc/11/61/99/490116199.db2.gz XTPKSUYNNIDTGE-GMTAPVOTSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1CC[C@@H](C)[N@H+](C[C@H](C)[NH3+])C1 306257444 490118401 /nfs/dbraw/zinc/11/84/01/490118401.db2.gz XTPKSUYNNIDTGE-HBNTYKKESA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](C)[NH3+])C1 306257444 490118409 /nfs/dbraw/zinc/11/84/09/490118409.db2.gz XTPKSUYNNIDTGE-HBNTYKKESA-N 2 2 184.327 1.844 20 0 ADADLP CCOCC(C)(C)[NH2+]Cc1c[nH+]c[nH]1 378807357 490139264 /nfs/dbraw/zinc/13/92/64/490139264.db2.gz XTAPTUJPTYGUKJ-UHFFFAOYSA-N 2 2 197.282 1.314 20 0 ADADLP Cc1ccc(Cn2cc[nH+]c2C)c[nH+]1 405706026 490150266 /nfs/dbraw/zinc/15/02/66/490150266.db2.gz NSXKZRVZIWTLRY-UHFFFAOYSA-N 2 2 187.246 1.943 20 0 ADADLP CC(C)C[N@H+](C)CCc1c[nH+]cn1C 60312819 491021331 /nfs/dbraw/zinc/02/13/31/491021331.db2.gz HNYSFDYYBDGZCZ-UHFFFAOYSA-N 2 2 195.310 1.550 20 0 ADADLP CC(C)C[N@@H+](C)CCc1c[nH+]cn1C 60312819 491021332 /nfs/dbraw/zinc/02/13/32/491021332.db2.gz HNYSFDYYBDGZCZ-UHFFFAOYSA-N 2 2 195.310 1.550 20 0 ADADLP C[C@H]1C[C@@H]([NH2+]CC[NH+](C)C)CC[C@H]1C 82835650 491022712 /nfs/dbraw/zinc/02/27/12/491022712.db2.gz RJKBMDFNZCSSCV-WOPDTQHZSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@H]1CC([NH2+]CC[NH+](C)C)C[C@H](C)C1 82829314 491022728 /nfs/dbraw/zinc/02/27/28/491022728.db2.gz FPKMTMUBXIHALO-GHMZBOCLSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@H]1C[C@H]([NH2+]CC[NH+](C)C)CC[C@H]1C 82835655 491022788 /nfs/dbraw/zinc/02/27/88/491022788.db2.gz RJKBMDFNZCSSCV-GRYCIOLGSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@@H]1CC([NH2+]CC[NH+](C)C)C[C@@H](C)C1 82829313 491022807 /nfs/dbraw/zinc/02/28/07/491022807.db2.gz FPKMTMUBXIHALO-QWRGUYRKSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@H]([NH2+]CC[NH3+])c1ccsc1 34204853 491021096 /nfs/dbraw/zinc/02/10/96/491021096.db2.gz UIDPXAHSHVOTGF-ZETCQYMHSA-N 2 2 170.281 1.357 20 0 ADADLP C[NH2+]CC[NH2+]Cc1cccc(C)c1 34528517 491021184 /nfs/dbraw/zinc/02/11/84/491021184.db2.gz UMGWCWHKCBMXLV-UHFFFAOYSA-N 2 2 178.279 1.304 20 0 ADADLP Cc1[nH+]ccn1CCCn1cc[nH+]c1 82615322 491022267 /nfs/dbraw/zinc/02/22/67/491022267.db2.gz GXXNAXUEEWPNCX-UHFFFAOYSA-N 2 2 190.250 1.478 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)cc1 42436989 491021245 /nfs/dbraw/zinc/02/12/45/491021245.db2.gz PXSWVHUPSXPSQQ-VIFPVBQESA-N 2 2 196.269 1.605 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)cc1 42436989 491021246 /nfs/dbraw/zinc/02/12/46/491021246.db2.gz PXSWVHUPSXPSQQ-VIFPVBQESA-N 2 2 196.269 1.605 20 0 ADADLP CCc1[nH+]ccn1CC[NH+](CC)CC 82615335 491022285 /nfs/dbraw/zinc/02/22/85/491022285.db2.gz ZXJQENAFCOQNDJ-UHFFFAOYSA-N 2 2 195.310 1.787 20 0 ADADLP Cn1c[nH+]cc1CC[N@H+](C)CC1CC1 60312950 491021323 /nfs/dbraw/zinc/02/13/23/491021323.db2.gz LGOMIGHWYMWYKI-UHFFFAOYSA-N 2 2 193.294 1.304 20 0 ADADLP Cn1c[nH+]cc1CC[N@@H+](C)CC1CC1 60312950 491021324 /nfs/dbraw/zinc/02/13/24/491021324.db2.gz LGOMIGHWYMWYKI-UHFFFAOYSA-N 2 2 193.294 1.304 20 0 ADADLP c1cn(CCC[NH+]2CCCC2)c[nH+]1 82615229 491022303 /nfs/dbraw/zinc/02/23/03/491022303.db2.gz VXXMWJOJZBXCBS-UHFFFAOYSA-N 2 2 179.267 1.369 20 0 ADADLP CCc1[nH+]ccn1CCn1cc[nH+]c1 82615384 491022343 /nfs/dbraw/zinc/02/23/43/491022343.db2.gz UPCYLKAJFXGLLH-UHFFFAOYSA-N 2 2 190.250 1.342 20 0 ADADLP CC[C@@H]([NH2+]CC[NH+](C)C)C1CC1 83053936 491023189 /nfs/dbraw/zinc/02/31/89/491023189.db2.gz JMGAPSSEPZHJRF-SNVBAGLBSA-N 2 2 170.300 1.326 20 0 ADADLP CC[C@H]([NH2+]CC[NH+](C)C)C1CC1 83053934 491023201 /nfs/dbraw/zinc/02/32/01/491023201.db2.gz JMGAPSSEPZHJRF-JTQLQIEISA-N 2 2 170.300 1.326 20 0 ADADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)C1CC1 83054521 491023399 /nfs/dbraw/zinc/02/33/99/491023399.db2.gz SCRPZSPKESBRNX-GFCCVEGCSA-N 2 2 196.338 1.860 20 0 ADADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)C1CC1 83054519 491023402 /nfs/dbraw/zinc/02/34/02/491023402.db2.gz SCRPZSPKESBRNX-LBPRGKRZSA-N 2 2 196.338 1.860 20 0 ADADLP CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 83055743 491023446 /nfs/dbraw/zinc/02/34/46/491023446.db2.gz HEVHZNWUPWBVDT-MWLCHTKSSA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 83055855 491023473 /nfs/dbraw/zinc/02/34/73/491023473.db2.gz CQBDJLMBWPXFRR-NSHDSACASA-N 2 2 193.294 1.661 20 0 ADADLP CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 83055742 491023527 /nfs/dbraw/zinc/02/35/27/491023527.db2.gz HEVHZNWUPWBVDT-KOLCDFICSA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 83055856 491023534 /nfs/dbraw/zinc/02/35/34/491023534.db2.gz CQBDJLMBWPXFRR-LLVKDONJSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)[NH+](C)C 83390712 491023995 /nfs/dbraw/zinc/02/39/95/491023995.db2.gz GGBGOFAHPKSWRR-GMTAPVOTSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 83389897 491024081 /nfs/dbraw/zinc/02/40/81/491024081.db2.gz LWJJRRZRRZCNNR-NWDGAFQWSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 83389895 491024089 /nfs/dbraw/zinc/02/40/89/491024089.db2.gz LWJJRRZRRZCNNR-RYUDHWBXSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 83389894 491024104 /nfs/dbraw/zinc/02/41/04/491024104.db2.gz LWJJRRZRRZCNNR-NEPJUHHUSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 83389896 491024111 /nfs/dbraw/zinc/02/41/11/491024111.db2.gz LWJJRRZRRZCNNR-VXGBXAGGSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C 83390710 491024113 /nfs/dbraw/zinc/02/41/13/491024113.db2.gz GGBGOFAHPKSWRR-MXWKQRLJSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 83390819 491024118 /nfs/dbraw/zinc/02/41/18/491024118.db2.gz RJRJJCPHXLFPIL-MNOVXSKESA-N 2 2 193.294 1.661 20 0 ADADLP C[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 83390822 491024186 /nfs/dbraw/zinc/02/41/86/491024186.db2.gz RJRJJCPHXLFPIL-QWRGUYRKSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 83390825 491024193 /nfs/dbraw/zinc/02/41/93/491024193.db2.gz RJRJJCPHXLFPIL-GHMZBOCLSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 83390826 491024221 /nfs/dbraw/zinc/02/42/21/491024221.db2.gz RJRJJCPHXLFPIL-WDEREUQCSA-N 2 2 193.294 1.661 20 0 ADADLP COC[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)C 83402434 491024331 /nfs/dbraw/zinc/02/43/31/491024331.db2.gz DVVIPHNMDRIUHS-JTQLQIEISA-N 2 2 197.282 1.170 20 0 ADADLP COC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)C 83402433 491024343 /nfs/dbraw/zinc/02/43/43/491024343.db2.gz DVVIPHNMDRIUHS-SNVBAGLBSA-N 2 2 197.282 1.170 20 0 ADADLP c1cc(C[NH2+]CCn2cc[nH+]c2)c[nH]1 85579512 491027810 /nfs/dbraw/zinc/02/78/10/491027810.db2.gz BBWHAGPZJOXIAZ-UHFFFAOYSA-N 2 2 190.250 1.001 20 0 ADADLP c1cc(C[NH2+]CC[NH+]2CCCC2)c[nH]1 85578842 491027830 /nfs/dbraw/zinc/02/78/30/491027830.db2.gz YAHGSHNUBCZAJE-UHFFFAOYSA-N 2 2 193.294 1.200 20 0 ADADLP C[NH+](C)CC[NH2+][C@@H]1CCCC1(C)C 86855600 491029517 /nfs/dbraw/zinc/02/95/17/491029517.db2.gz YKMTVNIMKZSGLX-SNVBAGLBSA-N 2 2 184.327 1.716 20 0 ADADLP C[NH+](C)CC[NH2+][C@H]1CCCC1(C)C 86855599 491029584 /nfs/dbraw/zinc/02/95/84/491029584.db2.gz YKMTVNIMKZSGLX-JTQLQIEISA-N 2 2 184.327 1.716 20 0 ADADLP Cc1cc[nH+]c(N[C@@H](C)C[NH+](C)C)c1 130597111 491034132 /nfs/dbraw/zinc/03/41/32/491034132.db2.gz ZQGKOGUUFLWIBL-JTQLQIEISA-N 2 2 193.294 1.752 20 0 ADADLP CCC1(CC)CC[N@H+](C[C@@H](C)[NH3+])C1 87252457 491030092 /nfs/dbraw/zinc/03/00/92/491030092.db2.gz JWVSITLFNLVSIP-SNVBAGLBSA-N 2 2 184.327 1.846 20 0 ADADLP CCC1(CC)CC[N@@H+](C[C@@H](C)[NH3+])C1 87252457 491030093 /nfs/dbraw/zinc/03/00/93/491030093.db2.gz JWVSITLFNLVSIP-SNVBAGLBSA-N 2 2 184.327 1.846 20 0 ADADLP CCC1(CC)CC[N@H+](C[C@H](C)[NH3+])C1 87252459 491030133 /nfs/dbraw/zinc/03/01/33/491030133.db2.gz JWVSITLFNLVSIP-JTQLQIEISA-N 2 2 184.327 1.846 20 0 ADADLP CCC1(CC)CC[N@@H+](C[C@H](C)[NH3+])C1 87252459 491030134 /nfs/dbraw/zinc/03/01/34/491030134.db2.gz JWVSITLFNLVSIP-JTQLQIEISA-N 2 2 184.327 1.846 20 0 ADADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccoc1 87289525 491030407 /nfs/dbraw/zinc/03/04/07/491030407.db2.gz QIDDALZPPQETEF-SNVBAGLBSA-N 2 2 196.294 1.882 20 0 ADADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccoc1 87289524 491030458 /nfs/dbraw/zinc/03/04/58/491030458.db2.gz QIDDALZPPQETEF-JTQLQIEISA-N 2 2 196.294 1.882 20 0 ADADLP C[NH+](C)CC[NH2+][C@@H]1CCC(C)(C)C1 87769115 491031755 /nfs/dbraw/zinc/03/17/55/491031755.db2.gz QUBWBQHWKCEUGG-SNVBAGLBSA-N 2 2 184.327 1.716 20 0 ADADLP C[NH+](C)CC[NH2+][C@H]1CCC(C)(C)C1 87769112 491031793 /nfs/dbraw/zinc/03/17/93/491031793.db2.gz QUBWBQHWKCEUGG-JTQLQIEISA-N 2 2 184.327 1.716 20 0 ADADLP CCC[NH+]1CCC([NH2+]CCF)CC1 87774957 491031972 /nfs/dbraw/zinc/03/19/72/491031972.db2.gz DZCFGTAEWUCULG-UHFFFAOYSA-N 2 2 188.290 1.420 20 0 ADADLP CN(C)c1cc[nH+]cc1C[NH2+]C1CC1 88114795 491033142 /nfs/dbraw/zinc/03/31/42/491033142.db2.gz BTMYABVXEJVZTE-UHFFFAOYSA-N 2 2 191.278 1.400 20 0 ADADLP CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C(C)C 130301601 491033588 /nfs/dbraw/zinc/03/35/88/491033588.db2.gz KMLXPMUFIZGTNI-WDEREUQCSA-N 2 2 186.343 1.961 20 0 ADADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C(C)C 130301394 491033592 /nfs/dbraw/zinc/03/35/92/491033592.db2.gz KMLXPMUFIZGTNI-QWRGUYRKSA-N 2 2 186.343 1.961 20 0 ADADLP Cc1ncc(C[N@H+](C)CCC[NH3+])s1 133199690 491037434 /nfs/dbraw/zinc/03/74/34/491037434.db2.gz KVNKXLMNOPURDJ-UHFFFAOYSA-N 2 2 199.323 1.232 20 0 ADADLP Cc1ncc(C[N@@H+](C)CCC[NH3+])s1 133199690 491037435 /nfs/dbraw/zinc/03/74/35/491037435.db2.gz KVNKXLMNOPURDJ-UHFFFAOYSA-N 2 2 199.323 1.232 20 0 ADADLP C[C@@H](CC1CC1)[NH2+]C[C@@H](C)[NH+](C)C 133291522 491037466 /nfs/dbraw/zinc/03/74/66/491037466.db2.gz WTFHTBGONJUKQB-VHSXEESVSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@H](CC1CC1)[NH2+]C[C@@H](C)[NH+](C)C 133291719 491037490 /nfs/dbraw/zinc/03/74/90/491037490.db2.gz WTFHTBGONJUKQB-NXEZZACHSA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cncs1 131590397 491034972 /nfs/dbraw/zinc/03/49/72/491034972.db2.gz RUIWLNAVGKLNJC-VIFPVBQESA-N 2 2 199.323 1.216 20 0 ADADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cncs1 131590172 491035015 /nfs/dbraw/zinc/03/50/15/491035015.db2.gz RUIWLNAVGKLNJC-SECBINFHSA-N 2 2 199.323 1.216 20 0 ADADLP CC(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 131911274 491035466 /nfs/dbraw/zinc/03/54/66/491035466.db2.gz PANKZKYKMNPNEJ-WDEREUQCSA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 131911274 491035467 /nfs/dbraw/zinc/03/54/67/491035467.db2.gz PANKZKYKMNPNEJ-WDEREUQCSA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 131910857 491035475 /nfs/dbraw/zinc/03/54/75/491035475.db2.gz PANKZKYKMNPNEJ-QWRGUYRKSA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 131910857 491035476 /nfs/dbraw/zinc/03/54/76/491035476.db2.gz PANKZKYKMNPNEJ-QWRGUYRKSA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 131910606 491035488 /nfs/dbraw/zinc/03/54/88/491035488.db2.gz PANKZKYKMNPNEJ-MNOVXSKESA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 131910606 491035489 /nfs/dbraw/zinc/03/54/89/491035489.db2.gz PANKZKYKMNPNEJ-MNOVXSKESA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 131911057 491035497 /nfs/dbraw/zinc/03/54/97/491035497.db2.gz PANKZKYKMNPNEJ-GHMZBOCLSA-N 2 2 196.338 1.857 20 0 ADADLP CC(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 131911057 491035498 /nfs/dbraw/zinc/03/54/98/491035498.db2.gz PANKZKYKMNPNEJ-GHMZBOCLSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@@H](CC1CC1)[NH2+]CCn1cc[nH+]c1 132119306 491035858 /nfs/dbraw/zinc/03/58/58/491035858.db2.gz RBPXHSYURACDDA-JTQLQIEISA-N 2 2 193.294 1.661 20 0 ADADLP CC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 132027315 491035887 /nfs/dbraw/zinc/03/58/87/491035887.db2.gz ARYSGABQKXZEGX-DCAQKATOSA-N 2 2 196.338 2.000 20 0 ADADLP CC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 132027315 491035888 /nfs/dbraw/zinc/03/58/88/491035888.db2.gz ARYSGABQKXZEGX-DCAQKATOSA-N 2 2 196.338 2.000 20 0 ADADLP CC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 132026960 491035891 /nfs/dbraw/zinc/03/58/91/491035891.db2.gz ARYSGABQKXZEGX-GARJFASQSA-N 2 2 196.338 2.000 20 0 ADADLP CC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 132026960 491035892 /nfs/dbraw/zinc/03/58/92/491035892.db2.gz ARYSGABQKXZEGX-GARJFASQSA-N 2 2 196.338 2.000 20 0 ADADLP C[C@H](CC1CC1)[NH2+]CCn1cc[nH+]c1 132119498 491035968 /nfs/dbraw/zinc/03/59/68/491035968.db2.gz RBPXHSYURACDDA-SNVBAGLBSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@H](CC1CC1)[NH2+]CC[NH+]1CCCC1 132176767 491036015 /nfs/dbraw/zinc/03/60/15/491036015.db2.gz PVXVPTGFQVYRBI-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H](CC1CC1)[NH2+]CC[NH+]1CCCC1 132176568 491036023 /nfs/dbraw/zinc/03/60/23/491036023.db2.gz PVXVPTGFQVYRBI-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP Cc1c[nH+]ccc1CC[NH2+]C(C)C 132940902 491037125 /nfs/dbraw/zinc/03/71/25/491037125.db2.gz YEIMCIPMJGEGTD-UHFFFAOYSA-N 2 2 178.279 1.931 20 0 ADADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCC1 132513380 491036381 /nfs/dbraw/zinc/03/63/81/491036381.db2.gz GEVJTJZBCLNDQR-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCC1 132513380 491036382 /nfs/dbraw/zinc/03/63/82/491036382.db2.gz GEVJTJZBCLNDQR-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCC1 132513034 491036398 /nfs/dbraw/zinc/03/63/98/491036398.db2.gz GEVJTJZBCLNDQR-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCC1 132513034 491036399 /nfs/dbraw/zinc/03/63/99/491036399.db2.gz GEVJTJZBCLNDQR-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCC1 132513214 491036413 /nfs/dbraw/zinc/03/64/13/491036413.db2.gz GEVJTJZBCLNDQR-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCC1 132513214 491036414 /nfs/dbraw/zinc/03/64/14/491036414.db2.gz GEVJTJZBCLNDQR-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCC1 132513582 491036438 /nfs/dbraw/zinc/03/64/38/491036438.db2.gz GEVJTJZBCLNDQR-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCC1 132513582 491036439 /nfs/dbraw/zinc/03/64/39/491036439.db2.gz GEVJTJZBCLNDQR-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 132797420 491036931 /nfs/dbraw/zinc/03/69/31/491036931.db2.gz MFLYAYFSLFNZTO-GMTAPVOTSA-N 2 2 194.322 1.469 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 132797420 491036932 /nfs/dbraw/zinc/03/69/32/491036932.db2.gz MFLYAYFSLFNZTO-GMTAPVOTSA-N 2 2 194.322 1.469 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 132797831 491036955 /nfs/dbraw/zinc/03/69/55/491036955.db2.gz MFLYAYFSLFNZTO-OUAUKWLOSA-N 2 2 194.322 1.469 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 132797831 491036956 /nfs/dbraw/zinc/03/69/56/491036956.db2.gz MFLYAYFSLFNZTO-OUAUKWLOSA-N 2 2 194.322 1.469 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(O)c1 203806825 491040375 /nfs/dbraw/zinc/04/03/75/491040375.db2.gz KUXGIMMJROOFMF-SECBINFHSA-N 2 2 194.278 1.262 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(O)c1 203806601 491040395 /nfs/dbraw/zinc/04/03/95/491040395.db2.gz KUXGIMMJROOFMF-VIFPVBQESA-N 2 2 194.278 1.262 20 0 ADADLP CC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 221712359 491040502 /nfs/dbraw/zinc/04/05/02/491040502.db2.gz ARYSGABQKXZEGX-AXFHLTTASA-N 2 2 196.338 2.000 20 0 ADADLP CC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 221712359 491040503 /nfs/dbraw/zinc/04/05/03/491040503.db2.gz ARYSGABQKXZEGX-AXFHLTTASA-N 2 2 196.338 2.000 20 0 ADADLP CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 221712247 491040541 /nfs/dbraw/zinc/04/05/41/491040541.db2.gz ARYSGABQKXZEGX-HBNTYKKESA-N 2 2 196.338 2.000 20 0 ADADLP CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 221712247 491040542 /nfs/dbraw/zinc/04/05/42/491040542.db2.gz ARYSGABQKXZEGX-HBNTYKKESA-N 2 2 196.338 2.000 20 0 ADADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CCC1 221786219 491040712 /nfs/dbraw/zinc/04/07/12/491040712.db2.gz SRIAILPOBDELSX-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C1CCC1 221786270 491040733 /nfs/dbraw/zinc/04/07/33/491040733.db2.gz SRIAILPOBDELSX-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCCC[C@@H]1C 158478210 491039992 /nfs/dbraw/zinc/03/99/92/491039992.db2.gz COSFQCIDGKYCMK-GARJFASQSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCCC[C@@H]1C 158478210 491039993 /nfs/dbraw/zinc/03/99/93/491039993.db2.gz COSFQCIDGKYCMK-GARJFASQSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCCC[C@H]1C 158478056 491039996 /nfs/dbraw/zinc/03/99/96/491039996.db2.gz COSFQCIDGKYCMK-OUAUKWLOSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCCC[C@H]1C 158478056 491039997 /nfs/dbraw/zinc/03/99/97/491039997.db2.gz COSFQCIDGKYCMK-OUAUKWLOSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCCC[C@@H]1C 158477921 491040005 /nfs/dbraw/zinc/04/00/05/491040005.db2.gz COSFQCIDGKYCMK-DCAQKATOSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCCC[C@@H]1C 158477921 491040006 /nfs/dbraw/zinc/04/00/06/491040006.db2.gz COSFQCIDGKYCMK-DCAQKATOSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCCC[C@H]1C 158477769 491040028 /nfs/dbraw/zinc/04/00/28/491040028.db2.gz COSFQCIDGKYCMK-VWYCJHECSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCCC[C@H]1C 158477769 491040029 /nfs/dbraw/zinc/04/00/29/491040029.db2.gz COSFQCIDGKYCMK-VWYCJHECSA-N 2 2 184.327 1.844 20 0 ADADLP CCCC[NH2+]C(C)(C)C[NH+](C)C 196624128 491040160 /nfs/dbraw/zinc/04/01/60/491040160.db2.gz VKBPDGZAFBNTAE-UHFFFAOYSA-N 2 2 172.316 1.716 20 0 ADADLP C[C@H]1C[C@H](C)CC[C@H]1[NH2+]CC[NH+](C)C 226178777 491042429 /nfs/dbraw/zinc/04/24/29/491042429.db2.gz YHLGFNRRILKGRP-GRYCIOLGSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[NH+](C)C 226178791 491042482 /nfs/dbraw/zinc/04/24/82/491042482.db2.gz YHLGFNRRILKGRP-WOPDTQHZSA-N 2 2 198.354 1.962 20 0 ADADLP CC1(C[NH2+]CC[NH+]2CCCC2)CC1 226372914 491042746 /nfs/dbraw/zinc/04/27/46/491042746.db2.gz GTNZXOJVCKAFTN-UHFFFAOYSA-N 2 2 182.311 1.472 20 0 ADADLP CC1(C[NH2+]CCCn2cc[nH+]c2)CC1 226372533 491042760 /nfs/dbraw/zinc/04/27/60/491042760.db2.gz YJCZBPFLUXEWCB-UHFFFAOYSA-N 2 2 193.294 1.663 20 0 ADADLP CC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 226761955 491043101 /nfs/dbraw/zinc/04/31/01/491043101.db2.gz ZEKUONOPYDWICQ-GHMZBOCLSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 226761955 491043102 /nfs/dbraw/zinc/04/31/02/491043102.db2.gz ZEKUONOPYDWICQ-GHMZBOCLSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 226761960 491043156 /nfs/dbraw/zinc/04/31/56/491043156.db2.gz ZEKUONOPYDWICQ-MNOVXSKESA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 226761960 491043157 /nfs/dbraw/zinc/04/31/57/491043157.db2.gz ZEKUONOPYDWICQ-MNOVXSKESA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](C)C2CC2)C1 226791097 491043163 /nfs/dbraw/zinc/04/31/63/491043163.db2.gz BXMPPFCROBBNOX-GHMZBOCLSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](C)C2CC2)C1 226791097 491043164 /nfs/dbraw/zinc/04/31/64/491043164.db2.gz BXMPPFCROBBNOX-GHMZBOCLSA-N 2 2 196.338 1.716 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 226791048 491043170 /nfs/dbraw/zinc/04/31/70/491043170.db2.gz ITHGWFQIEXWRPC-VXGBXAGGSA-N 2 2 198.354 1.962 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 226791048 491043171 /nfs/dbraw/zinc/04/31/71/491043171.db2.gz ITHGWFQIEXWRPC-VXGBXAGGSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@@H](CC1CCC1)[NH2+]CC[NH+](C)C 229667304 491045649 /nfs/dbraw/zinc/04/56/49/491045649.db2.gz FYHOHLYRVPSHGF-JTQLQIEISA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[NH+](C)C 229616209 491045522 /nfs/dbraw/zinc/04/55/22/491045522.db2.gz RCSBDFNACXLJLE-GHMZBOCLSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+](C)C 229616193 491045588 /nfs/dbraw/zinc/04/55/88/491045588.db2.gz RCSBDFNACXLJLE-MNOVXSKESA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H]1CCC[C@H]1[NH2+]CC[NH+](C)C 229616220 491045598 /nfs/dbraw/zinc/04/55/98/491045598.db2.gz RCSBDFNACXLJLE-WDEREUQCSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[NH+](C)C 229616203 491045605 /nfs/dbraw/zinc/04/56/05/491045605.db2.gz RCSBDFNACXLJLE-QWRGUYRKSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@H](CC1CCC1)[NH2+]CC[NH+](C)C 229667315 491045620 /nfs/dbraw/zinc/04/56/20/491045620.db2.gz FYHOHLYRVPSHGF-SNVBAGLBSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H](CC1CC1)[NH2+][C@@H](C)C[NH+](C)C 229701689 491045633 /nfs/dbraw/zinc/04/56/33/491045633.db2.gz WIHWRCGIFIIAPQ-UWVGGRQHSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CC1CC1 229701697 491045642 /nfs/dbraw/zinc/04/56/42/491045642.db2.gz WIHWRCGIFIIAPQ-ZJUUUORDSA-N 2 2 184.327 1.715 20 0 ADADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 307056053 491058156 /nfs/dbraw/zinc/05/81/56/491058156.db2.gz BBCXGEXIUOYYSC-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 307056053 491058157 /nfs/dbraw/zinc/05/81/57/491058157.db2.gz BBCXGEXIUOYYSC-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC2(C)C)C1 307056061 491058162 /nfs/dbraw/zinc/05/81/62/491058162.db2.gz BBCXGEXIUOYYSC-WDEREUQCSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC2(C)C)C1 307056061 491058163 /nfs/dbraw/zinc/05/81/63/491058163.db2.gz BBCXGEXIUOYYSC-WDEREUQCSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 307056055 491058180 /nfs/dbraw/zinc/05/81/80/491058180.db2.gz BBCXGEXIUOYYSC-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 307056055 491058182 /nfs/dbraw/zinc/05/81/82/491058182.db2.gz BBCXGEXIUOYYSC-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC2(C)C)C1 307056058 491058230 /nfs/dbraw/zinc/05/82/30/491058230.db2.gz BBCXGEXIUOYYSC-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC2(C)C)C1 307056058 491058231 /nfs/dbraw/zinc/05/82/31/491058231.db2.gz BBCXGEXIUOYYSC-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP 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ADADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H]1C)[N@@H+](C)C1CC1 308644792 491115892 /nfs/dbraw/zinc/11/58/92/491115892.db2.gz GYQGYZIDHQGLAY-VWYCJHECSA-N 2 2 196.338 1.715 20 0 ADADLP CC[C@]1([NH2+]Cc2c[nH+]c[nH]2)CCOC1 308755114 491118901 /nfs/dbraw/zinc/11/89/01/491118901.db2.gz WANFTRMPQZUVNF-JTQLQIEISA-N 2 2 195.266 1.068 20 0 ADADLP CC[C@@]1([NH2+]Cc2c[nH+]c[nH]2)CCOC1 308755120 491119030 /nfs/dbraw/zinc/11/90/30/491119030.db2.gz WANFTRMPQZUVNF-SNVBAGLBSA-N 2 2 195.266 1.068 20 0 ADADLP Cn1c[nH+]cc1CC[NH+]1CCCC1 335172245 491119220 /nfs/dbraw/zinc/11/92/20/491119220.db2.gz OJEFOFLGQUQXLQ-UHFFFAOYSA-N 2 2 179.267 1.058 20 0 ADADLP CC[N@H+](CCC(F)(F)F)C[C@H](C)[NH3+] 389301841 491119614 /nfs/dbraw/zinc/11/96/14/491119614.db2.gz JMOFJCITOBSSNC-ZETCQYMHSA-N 2 2 198.232 1.608 20 0 ADADLP CC[N@@H+](CCC(F)(F)F)C[C@H](C)[NH3+] 389301841 491119616 /nfs/dbraw/zinc/11/96/16/491119616.db2.gz JMOFJCITOBSSNC-ZETCQYMHSA-N 2 2 198.232 1.608 20 0 ADADLP CC[N@H+](CCC(F)(F)F)C[C@@H](C)[NH3+] 389301839 491119622 /nfs/dbraw/zinc/11/96/22/491119622.db2.gz JMOFJCITOBSSNC-SSDOTTSWSA-N 2 2 198.232 1.608 20 0 ADADLP CC[N@@H+](CCC(F)(F)F)C[C@@H](C)[NH3+] 389301839 491119623 /nfs/dbraw/zinc/11/96/23/491119623.db2.gz JMOFJCITOBSSNC-SSDOTTSWSA-N 2 2 198.232 1.608 20 0 ADADLP CC(C)C[NH2+]CC[N@@H+]1CCC[C@@H]1C 52375648 1188769003 /nfs/dbraw/zinc/76/90/03/1188769003.db2.gz KLNSBABCSUXJPM-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP CC(C)C[NH2+]CC[N@H+]1CCC[C@@H]1C 52375648 1188769007 /nfs/dbraw/zinc/76/90/07/1188769007.db2.gz KLNSBABCSUXJPM-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP CC(C)CC[NH2+]CC[N@H+](C)C(C)C 53344139 1188770436 /nfs/dbraw/zinc/77/04/36/1188770436.db2.gz QQUHMRTTXCNIDP-UHFFFAOYSA-N 2 2 186.343 1.962 20 0 ADADLP CC(C)CC[NH2+]CC[N@@H+](C)C(C)C 53344139 1188770439 /nfs/dbraw/zinc/77/04/39/1188770439.db2.gz QQUHMRTTXCNIDP-UHFFFAOYSA-N 2 2 186.343 1.962 20 0 ADADLP C1C[C@@H]2C[N@H+](CC3CC3)CCC[NH+]2C1 86930532 1188777327 /nfs/dbraw/zinc/77/73/27/1188777327.db2.gz ILGIRLWYFCCQGA-GFCCVEGCSA-N 2 2 194.322 1.567 20 0 ADADLP C1C[C@@H]2C[N@@H+](CC3CC3)CCC[NH+]2C1 86930532 1188777331 /nfs/dbraw/zinc/77/73/31/1188777331.db2.gz ILGIRLWYFCCQGA-GFCCVEGCSA-N 2 2 194.322 1.567 20 0 ADADLP C1C[C@@H]2C[NH+](CC3CC3)CCC[N@@H+]2C1 86930532 1188777333 /nfs/dbraw/zinc/77/73/33/1188777333.db2.gz ILGIRLWYFCCQGA-GFCCVEGCSA-N 2 2 194.322 1.567 20 0 ADADLP C1C[C@@H]2C[NH+](CC3CC3)CCC[N@H+]2C1 86930532 1188777338 /nfs/dbraw/zinc/77/73/38/1188777338.db2.gz ILGIRLWYFCCQGA-GFCCVEGCSA-N 2 2 194.322 1.567 20 0 ADADLP C1C[C@H]2C[N@H+](CC3CC3)CCC[NH+]2C1 86930534 1188777383 /nfs/dbraw/zinc/77/73/83/1188777383.db2.gz ILGIRLWYFCCQGA-LBPRGKRZSA-N 2 2 194.322 1.567 20 0 ADADLP C1C[C@H]2C[N@@H+](CC3CC3)CCC[NH+]2C1 86930534 1188777387 /nfs/dbraw/zinc/77/73/87/1188777387.db2.gz ILGIRLWYFCCQGA-LBPRGKRZSA-N 2 2 194.322 1.567 20 0 ADADLP C1C[C@H]2C[NH+](CC3CC3)CCC[N@@H+]2C1 86930534 1188777389 /nfs/dbraw/zinc/77/73/89/1188777389.db2.gz ILGIRLWYFCCQGA-LBPRGKRZSA-N 2 2 194.322 1.567 20 0 ADADLP C1C[C@H]2C[NH+](CC3CC3)CCC[N@H+]2C1 86930534 1188777396 /nfs/dbraw/zinc/77/73/96/1188777396.db2.gz ILGIRLWYFCCQGA-LBPRGKRZSA-N 2 2 194.322 1.567 20 0 ADADLP Cc1cccnc1C[NH2+]C(C)(C)C[NH3+] 393679796 1188821394 /nfs/dbraw/zinc/82/13/94/1188821394.db2.gz UYSUUAVXLHIEEE-UHFFFAOYSA-N 2 2 193.294 1.217 20 0 ADADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C/C1CC1 396661810 1188822908 /nfs/dbraw/zinc/82/29/08/1188822908.db2.gz HGIQRPGIKNWKJR-UCUMCXFZSA-N 2 2 194.322 1.683 20 0 ADADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C/C=C\C1CC1 396661806 1188822938 /nfs/dbraw/zinc/82/29/38/1188822938.db2.gz HGIQRPGIKNWKJR-TWXVPIPUSA-N 2 2 194.322 1.683 20 0 ADADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C/C=C/C1CC1 396661816 1188822972 /nfs/dbraw/zinc/82/29/72/1188822972.db2.gz HGIQRPGIKNWKJR-YAQYBTLWSA-N 2 2 194.322 1.683 20 0 ADADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C\C1CC1 396661801 1188823042 /nfs/dbraw/zinc/82/30/42/1188823042.db2.gz HGIQRPGIKNWKJR-HWRFCPBPSA-N 2 2 194.322 1.683 20 0 ADADLP CCC(C)(C)CC[N@@H+](C)CC[NH2+]C 696182506 1188824863 /nfs/dbraw/zinc/82/48/63/1188824863.db2.gz RSOIFXNUPABBAT-UHFFFAOYSA-N 2 2 186.343 1.964 20 0 ADADLP CCC(C)(C)CC[N@H+](C)CC[NH2+]C 696182506 1188824861 /nfs/dbraw/zinc/82/48/61/1188824861.db2.gz RSOIFXNUPABBAT-UHFFFAOYSA-N 2 2 186.343 1.964 20 0 ADADLP C[C@@H]([NH2+]CC[NH3+])c1ccnc(Cl)c1 34214961 697619960 /nfs/dbraw/zinc/61/99/60/697619960.db2.gz UHJXMQMGXREFFC-SSDOTTSWSA-N 2 2 199.685 1.344 20 0 ADADLP C[C@H]([NH2+]CC[NH3+])c1ccnc(Cl)c1 34214960 697620167 /nfs/dbraw/zinc/62/01/67/697620167.db2.gz UHJXMQMGXREFFC-ZETCQYMHSA-N 2 2 199.685 1.344 20 0 ADADLP C[NH2+][C@H]1CC[N@H+](CCCC2CC2)C1 157029944 697656962 /nfs/dbraw/zinc/65/69/62/697656962.db2.gz AFPADJMLPOKDJK-NSHDSACASA-N 2 2 182.311 1.470 20 0 ADADLP C[NH2+][C@H]1CC[N@@H+](CCCC2CC2)C1 157029944 697656964 /nfs/dbraw/zinc/65/69/64/697656964.db2.gz AFPADJMLPOKDJK-NSHDSACASA-N 2 2 182.311 1.470 20 0 ADADLP C[NH2+][C@@H]1CC[N@H+](CCCC2CC2)C1 157029797 697657422 /nfs/dbraw/zinc/65/74/22/697657422.db2.gz AFPADJMLPOKDJK-LLVKDONJSA-N 2 2 182.311 1.470 20 0 ADADLP C[NH2+][C@@H]1CC[N@@H+](CCCC2CC2)C1 157029797 697657425 /nfs/dbraw/zinc/65/74/25/697657425.db2.gz AFPADJMLPOKDJK-LLVKDONJSA-N 2 2 182.311 1.470 20 0 ADADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc(F)c1 162056277 697667468 /nfs/dbraw/zinc/66/74/68/697667468.db2.gz RHRAGXMCVFOKTH-QMMMGPOBSA-N 2 2 182.242 1.263 20 0 ADADLP COc1ccccc1C[NH2+][C@@H](C)C[NH3+] 161975997 697667486 /nfs/dbraw/zinc/66/74/86/697667486.db2.gz NZBDGGNHTYAPOU-VIFPVBQESA-N 2 2 194.278 1.132 20 0 ADADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)cc1 161975450 697667520 /nfs/dbraw/zinc/66/75/20/697667520.db2.gz LVRYMUWAOFQCKB-QMMMGPOBSA-N 2 2 198.697 1.777 20 0 ADADLP COc1cccc(C[NH2+][C@@H](C)C[NH3+])c1 161983952 697667719 /nfs/dbraw/zinc/66/77/19/697667719.db2.gz RGRKVFOWERWURW-VIFPVBQESA-N 2 2 194.278 1.132 20 0 ADADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1 161975167 697668018 /nfs/dbraw/zinc/66/80/18/697668018.db2.gz RRWZGSWLRRISGJ-QMMMGPOBSA-N 2 2 182.242 1.263 20 0 ADADLP C[NH2+]CC[N@H+](C)CCC1CCCC1 162925512 697668574 /nfs/dbraw/zinc/66/85/74/697668574.db2.gz OZNUBMDDNAWMIV-UHFFFAOYSA-N 2 2 184.327 1.718 20 0 ADADLP C[NH2+]CC[N@@H+](C)CCC1CCCC1 162925512 697668577 /nfs/dbraw/zinc/66/85/77/697668577.db2.gz OZNUBMDDNAWMIV-UHFFFAOYSA-N 2 2 184.327 1.718 20 0 ADADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccsc1 235146123 697706646 /nfs/dbraw/zinc/70/66/46/697706646.db2.gz TVZBJEAZZMYWLJ-YUMQZZPRSA-N 2 2 184.308 1.746 20 0 ADADLP Cc1nc(C)c(C[NH2+][C@@H](C)C[NH3+])s1 235140857 697706815 /nfs/dbraw/zinc/70/68/15/697706815.db2.gz CCUOBCOHFJZBFK-LURJTMIESA-N 2 2 199.323 1.197 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]CCn1cc[nH+]c1 308137997 697757503 /nfs/dbraw/zinc/75/75/03/697757503.db2.gz JOTVPAIMOPWKEC-NXEZZACHSA-N 2 2 179.267 1.271 20 0 ADADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C 308135972 697757612 /nfs/dbraw/zinc/75/76/12/697757612.db2.gz IGINKJGZBBDWMB-GHMZBOCLSA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C 308135972 697757613 /nfs/dbraw/zinc/75/76/13/697757613.db2.gz IGINKJGZBBDWMB-GHMZBOCLSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+]CCn1cc[nH+]c1 308138001 697757783 /nfs/dbraw/zinc/75/77/83/697757783.db2.gz JOTVPAIMOPWKEC-ZJUUUORDSA-N 2 2 179.267 1.271 20 0 ADADLP CC[N@H+](CC[NH2+][C@H]1CC[C@@H]1C)C1CC1 308540773 697774772 /nfs/dbraw/zinc/77/47/72/697774772.db2.gz NWMBEXWFMVEAKR-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C)C1CC1 308540773 697774774 /nfs/dbraw/zinc/77/47/74/697774774.db2.gz NWMBEXWFMVEAKR-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP C[NH+]1CCC[C@@H](C[N@H+](C)CCF)C1 379389780 697865162 /nfs/dbraw/zinc/86/51/62/697865162.db2.gz MHJQFCIFQLMIFA-SNVBAGLBSA-N 2 2 188.290 1.230 20 0 ADADLP C[NH+]1CCC[C@@H](C[N@@H+](C)CCF)C1 379389780 697865165 /nfs/dbraw/zinc/86/51/65/697865165.db2.gz MHJQFCIFQLMIFA-SNVBAGLBSA-N 2 2 188.290 1.230 20 0 ADADLP C[NH+](CCF)C[C@@H]1CCC[N@H+](C)C1 379389780 697865169 /nfs/dbraw/zinc/86/51/69/697865169.db2.gz MHJQFCIFQLMIFA-SNVBAGLBSA-N 2 2 188.290 1.230 20 0 ADADLP C[NH+](CCF)C[C@@H]1CCC[N@@H+](C)C1 379389780 697865171 /nfs/dbraw/zinc/86/51/71/697865171.db2.gz MHJQFCIFQLMIFA-SNVBAGLBSA-N 2 2 188.290 1.230 20 0 ADADLP C[NH+]1CCC[C@H](C[N@H+](C)CCF)C1 379389779 697865381 /nfs/dbraw/zinc/86/53/81/697865381.db2.gz MHJQFCIFQLMIFA-JTQLQIEISA-N 2 2 188.290 1.230 20 0 ADADLP C[NH+]1CCC[C@H](C[N@@H+](C)CCF)C1 379389779 697865386 /nfs/dbraw/zinc/86/53/86/697865386.db2.gz MHJQFCIFQLMIFA-JTQLQIEISA-N 2 2 188.290 1.230 20 0 ADADLP C[NH+](CCF)C[C@H]1CCC[N@H+](C)C1 379389779 697865390 /nfs/dbraw/zinc/86/53/90/697865390.db2.gz MHJQFCIFQLMIFA-JTQLQIEISA-N 2 2 188.290 1.230 20 0 ADADLP C[NH+](CCF)C[C@H]1CCC[N@@H+](C)C1 379389779 697865395 /nfs/dbraw/zinc/86/53/95/697865395.db2.gz MHJQFCIFQLMIFA-JTQLQIEISA-N 2 2 188.290 1.230 20 0 ADADLP CCCC[NH2+]C1(C[NH+](C)C)CCC1 379416110 697891742 /nfs/dbraw/zinc/89/17/42/697891742.db2.gz RBFNROGDILBCCV-UHFFFAOYSA-N 2 2 184.327 1.860 20 0 ADADLP Cc1cc(C)[nH+]c(CN(C)CC[NH3+])c1 379526462 697898078 /nfs/dbraw/zinc/89/80/78/697898078.db2.gz QSFSFALRLFKQTA-UHFFFAOYSA-N 2 2 193.294 1.089 20 0 ADADLP C[C@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1 379573247 697900166 /nfs/dbraw/zinc/90/01/66/697900166.db2.gz IMUJNWTWWXPBKV-WDEREUQCSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1 379573242 697900298 /nfs/dbraw/zinc/90/02/98/697900298.db2.gz IMUJNWTWWXPBKV-GHMZBOCLSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 379573245 697900411 /nfs/dbraw/zinc/90/04/11/697900411.db2.gz IMUJNWTWWXPBKV-MNOVXSKESA-N 2 2 193.294 1.661 20 0 ADADLP C[C@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 379573246 697900440 /nfs/dbraw/zinc/90/04/40/697900440.db2.gz IMUJNWTWWXPBKV-QWRGUYRKSA-N 2 2 193.294 1.661 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C 379588439 697902406 /nfs/dbraw/zinc/90/24/06/697902406.db2.gz TZZVQJYVUPQIKE-QJPTWQEYSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C 379588439 697902409 /nfs/dbraw/zinc/90/24/09/697902409.db2.gz TZZVQJYVUPQIKE-QJPTWQEYSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C 379588438 697902596 /nfs/dbraw/zinc/90/25/96/697902596.db2.gz TZZVQJYVUPQIKE-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C 379588438 697902601 /nfs/dbraw/zinc/90/26/01/697902601.db2.gz TZZVQJYVUPQIKE-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C 379588441 697902669 /nfs/dbraw/zinc/90/26/69/697902669.db2.gz TZZVQJYVUPQIKE-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C 379588441 697902671 /nfs/dbraw/zinc/90/26/71/697902671.db2.gz TZZVQJYVUPQIKE-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C 379588440 697902748 /nfs/dbraw/zinc/90/27/48/697902748.db2.gz TZZVQJYVUPQIKE-TUAOUCFPSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C 379588440 697902752 /nfs/dbraw/zinc/90/27/52/697902752.db2.gz TZZVQJYVUPQIKE-TUAOUCFPSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1CCC[N@H+]1CC[NH2+]C[C@H]1C[C@H]1C 379627141 697906537 /nfs/dbraw/zinc/90/65/37/697906537.db2.gz KWJRKLAVEBMIHL-GRYCIOLGSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C[C@H]1C[C@H]1C 379627141 697906541 /nfs/dbraw/zinc/90/65/41/697906541.db2.gz KWJRKLAVEBMIHL-GRYCIOLGSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CCC[C@H]1C 379627143 697906502 /nfs/dbraw/zinc/90/65/02/697906502.db2.gz KWJRKLAVEBMIHL-IJLUTSLNSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@H+]1CCC[C@H]1C 379627143 697906506 /nfs/dbraw/zinc/90/65/06/697906506.db2.gz KWJRKLAVEBMIHL-IJLUTSLNSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@H+]1CCC[C@H]1C 379627144 697906597 /nfs/dbraw/zinc/90/65/97/697906597.db2.gz KWJRKLAVEBMIHL-UTUOFQBUSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@@H+]1CCC[C@H]1C 379627144 697906593 /nfs/dbraw/zinc/90/65/93/697906593.db2.gz KWJRKLAVEBMIHL-UTUOFQBUSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1CCC[N@H+]1CC[NH2+]C[C@@H]1C[C@H]1C 379627145 697906840 /nfs/dbraw/zinc/90/68/40/697906840.db2.gz KWJRKLAVEBMIHL-WOPDTQHZSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@H]1C 379627145 697906841 /nfs/dbraw/zinc/90/68/41/697906841.db2.gz KWJRKLAVEBMIHL-WOPDTQHZSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@H]1C 379643507 697907724 /nfs/dbraw/zinc/90/77/24/697907724.db2.gz WRSSRXBFPOYMQB-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC[C@H]1C 379643507 697907728 /nfs/dbraw/zinc/90/77/28/697907728.db2.gz WRSSRXBFPOYMQB-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C 379643499 697907795 /nfs/dbraw/zinc/90/77/95/697907795.db2.gz WRSSRXBFPOYMQB-GRYCIOLGSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C 379643499 697907798 /nfs/dbraw/zinc/90/77/98/697907798.db2.gz WRSSRXBFPOYMQB-GRYCIOLGSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C 379643510 697907825 /nfs/dbraw/zinc/90/78/25/697907825.db2.gz WRSSRXBFPOYMQB-WOPDTQHZSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C 379643510 697907827 /nfs/dbraw/zinc/90/78/27/697907827.db2.gz WRSSRXBFPOYMQB-WOPDTQHZSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC[C@H]1C 379643501 697907839 /nfs/dbraw/zinc/90/78/39/697907839.db2.gz WRSSRXBFPOYMQB-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC[C@H]1C 379643501 697907840 /nfs/dbraw/zinc/90/78/40/697907840.db2.gz WRSSRXBFPOYMQB-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+](C/C=C\Cl)C1CC([NH3+])C1 384798226 697931106 /nfs/dbraw/zinc/93/11/06/697931106.db2.gz XFLNDAPKUBFFBI-IHWYPQMZSA-N 2 2 174.675 1.160 20 0 ADADLP C[N@@H+](C/C=C\Cl)C1CC([NH3+])C1 384798226 697931108 /nfs/dbraw/zinc/93/11/08/697931108.db2.gz XFLNDAPKUBFFBI-IHWYPQMZSA-N 2 2 174.675 1.160 20 0 ADADLP CC[C@@H]1C[C@H]1C[N@H+](C)CC[NH2+]C 387679875 697939167 /nfs/dbraw/zinc/93/91/67/697939167.db2.gz PZILJQMLPGZMCD-ZJUUUORDSA-N 2 2 170.300 1.184 20 0 ADADLP CC[C@@H]1C[C@H]1C[N@@H+](C)CC[NH2+]C 387679875 697939171 /nfs/dbraw/zinc/93/91/71/697939171.db2.gz PZILJQMLPGZMCD-ZJUUUORDSA-N 2 2 170.300 1.184 20 0 ADADLP CCSCC[N@H+](C)C[C@H](C)[NH3+] 388153978 697944153 /nfs/dbraw/zinc/94/41/53/697944153.db2.gz OPLOMKZXSQJKOV-QMMMGPOBSA-N 2 2 176.329 1.019 20 0 ADADLP CCSCC[N@@H+](C)C[C@H](C)[NH3+] 388153978 697944156 /nfs/dbraw/zinc/94/41/56/697944156.db2.gz OPLOMKZXSQJKOV-QMMMGPOBSA-N 2 2 176.329 1.019 20 0 ADADLP CCSCC[N@H+](C)C[C@@H](C)[NH3+] 388153975 697944198 /nfs/dbraw/zinc/94/41/98/697944198.db2.gz OPLOMKZXSQJKOV-MRVPVSSYSA-N 2 2 176.329 1.019 20 0 ADADLP CCSCC[N@@H+](C)C[C@@H](C)[NH3+] 388153975 697944201 /nfs/dbraw/zinc/94/42/01/697944201.db2.gz OPLOMKZXSQJKOV-MRVPVSSYSA-N 2 2 176.329 1.019 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH+](C)C 388461965 697967181 /nfs/dbraw/zinc/96/71/81/697967181.db2.gz GZACOQBNCIBFRQ-OPRDCNLKSA-N 2 2 170.300 1.325 20 0 ADADLP C[C@@H](C[NH2+][C@H]1CC[C@H]1C)[NH+](C)C 388461967 697967445 /nfs/dbraw/zinc/96/74/45/697967445.db2.gz GZACOQBNCIBFRQ-UTLUCORTSA-N 2 2 170.300 1.325 20 0 ADADLP C[C@@H](C[NH2+][C@@H]1CC[C@H]1C)[NH+](C)C 388461963 697967219 /nfs/dbraw/zinc/96/72/19/697967219.db2.gz GZACOQBNCIBFRQ-KXUCPTDWSA-N 2 2 170.300 1.325 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C 388461947 697967398 /nfs/dbraw/zinc/96/73/98/697967398.db2.gz GZACOQBNCIBFRQ-BBBLOLIVSA-N 2 2 170.300 1.325 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H]1C 388477384 697968164 /nfs/dbraw/zinc/96/81/64/697968164.db2.gz RWXLEQQHIBTORZ-GUBZILKMSA-N 2 2 170.300 1.325 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]1C 388477389 697968273 /nfs/dbraw/zinc/96/82/73/697968273.db2.gz RWXLEQQHIBTORZ-LPEHRKFASA-N 2 2 170.300 1.325 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H]1C 388477397 697968447 /nfs/dbraw/zinc/96/84/47/697968447.db2.gz RWXLEQQHIBTORZ-UTLUCORTSA-N 2 2 170.300 1.325 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]1C 388477386 697968506 /nfs/dbraw/zinc/96/85/06/697968506.db2.gz RWXLEQQHIBTORZ-KXUCPTDWSA-N 2 2 170.300 1.325 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCC1 388613740 697979096 /nfs/dbraw/zinc/97/90/96/697979096.db2.gz CGVIIMHNWZFOFP-MNOVXSKESA-N 2 2 182.311 1.470 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCCC1 388613737 697979245 /nfs/dbraw/zinc/97/92/45/697979245.db2.gz CGVIIMHNWZFOFP-GHMZBOCLSA-N 2 2 182.311 1.470 20 0 ADADLP C[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCC1 388613743 697979300 /nfs/dbraw/zinc/97/93/00/697979300.db2.gz CGVIIMHNWZFOFP-QWRGUYRKSA-N 2 2 182.311 1.470 20 0 ADADLP C[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCCC1 388613745 697979329 /nfs/dbraw/zinc/97/93/29/697979329.db2.gz CGVIIMHNWZFOFP-WDEREUQCSA-N 2 2 182.311 1.470 20 0 ADADLP CC[N@H+](CC[NH2+]CC1(C)CC1)C1CC1 393670566 698020107 /nfs/dbraw/zinc/02/01/07/698020107.db2.gz UMZMTSZKXKTYMS-UHFFFAOYSA-N 2 2 196.338 1.860 20 0 ADADLP CC[N@@H+](CC[NH2+]CC1(C)CC1)C1CC1 393670566 698020110 /nfs/dbraw/zinc/02/01/10/698020110.db2.gz UMZMTSZKXKTYMS-UHFFFAOYSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H]1CCC[N@@H+]1CC[NH2+]CC1(C)CC1 393666872 698020451 /nfs/dbraw/zinc/02/04/51/698020451.db2.gz LVZNCYHCNGRNNP-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H]1CCC[N@H+]1CC[NH2+]CC1(C)CC1 393666872 698020456 /nfs/dbraw/zinc/02/04/56/698020456.db2.gz LVZNCYHCNGRNNP-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]CC1(C)CC1 393666871 698020476 /nfs/dbraw/zinc/02/04/76/698020476.db2.gz LVZNCYHCNGRNNP-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H]1CCC[N@H+]1CC[NH2+]CC1(C)CC1 393666871 698020481 /nfs/dbraw/zinc/02/04/81/698020481.db2.gz LVZNCYHCNGRNNP-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP C[NH2+]CC[N@H+](C)CCCC1CC1 394452752 698030515 /nfs/dbraw/zinc/03/05/15/698030515.db2.gz PQDODLWUCFGAQI-UHFFFAOYSA-N 2 2 170.300 1.328 20 0 ADADLP C[NH2+]CC[N@@H+](C)CCCC1CC1 394452752 698030517 /nfs/dbraw/zinc/03/05/17/698030517.db2.gz PQDODLWUCFGAQI-UHFFFAOYSA-N 2 2 170.300 1.328 20 0 ADADLP CC/C=C/C[NH2+][C@@H]1CCC[NH2+][C@H]1C 396718140 698037097 /nfs/dbraw/zinc/03/70/97/698037097.db2.gz RXXRAOAPBHVPQY-BXXZLRJFSA-N 2 2 182.311 1.683 20 0 ADADLP CC/C=C\C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396718144 698037237 /nfs/dbraw/zinc/03/72/37/698037237.db2.gz RXXRAOAPBHVPQY-WQMVXFAESA-N 2 2 182.311 1.683 20 0 ADADLP CC/C=C\C[NH2+][C@@H]1CCC[NH2+][C@H]1C 396718142 698037270 /nfs/dbraw/zinc/03/72/70/698037270.db2.gz RXXRAOAPBHVPQY-NRFYAWERSA-N 2 2 182.311 1.683 20 0 ADADLP CC/C=C/C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396718146 698037920 /nfs/dbraw/zinc/03/79/20/698037920.db2.gz RXXRAOAPBHVPQY-XKFHPXPTSA-N 2 2 182.311 1.683 20 0 ADADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C=CCC1 854221744 698129248 /nfs/dbraw/zinc/12/92/48/698129248.db2.gz UKZWUDCVTDWBRR-GMTAPVOTSA-N 2 2 180.295 1.293 20 0 ADADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C=CCC1 854221745 698129289 /nfs/dbraw/zinc/12/92/89/698129289.db2.gz UKZWUDCVTDWBRR-MXWKQRLJSA-N 2 2 180.295 1.293 20 0 ADADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C=CCC1 854221747 698129310 /nfs/dbraw/zinc/12/93/10/698129310.db2.gz UKZWUDCVTDWBRR-VWYCJHECSA-N 2 2 180.295 1.293 20 0 ADADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C=CCC1 854221746 698129369 /nfs/dbraw/zinc/12/93/69/698129369.db2.gz UKZWUDCVTDWBRR-OUAUKWLOSA-N 2 2 180.295 1.293 20 0 ADADLP Cc1cccc(N2CC[NH+](C)CC2)[nH+]1 11112 132177415 /nfs/dbraw/zinc/17/74/15/132177415.db2.gz VYZPEWUEPPGXGA-UHFFFAOYSA-N 2 2 191.278 1.142 20 0 ADADLP Cc1cc(C)[nH+]c(N2CC[NH2+]CC2)c1 39115476 132189552 /nfs/dbraw/zinc/18/95/52/132189552.db2.gz YUJGMKXJJVAANU-UHFFFAOYSA-N 2 2 191.278 1.108 20 0 ADADLP CC[C@H]1C[N@H+](C[C@H](C)[NH3+])CCS1 253073236 133424777 /nfs/dbraw/zinc/42/47/77/133424777.db2.gz ORAHLBSGKWYUPZ-IUCAKERBSA-N 2 2 188.340 1.161 20 0 ADADLP CC[C@H]1C[N@@H+](C[C@H](C)[NH3+])CCS1 253073236 133424778 /nfs/dbraw/zinc/42/47/78/133424778.db2.gz ORAHLBSGKWYUPZ-IUCAKERBSA-N 2 2 188.340 1.161 20 0 ADADLP C[C@]1([NH3+])CCCC[C@@H]1c1c[nH]c[nH+]1 13741220 343037223 /nfs/dbraw/zinc/03/72/23/343037223.db2.gz QRPSMQORRBAFIK-SCZZXKLOSA-N 2 2 179.267 1.785 20 0 ADADLP CC(C)[C@H](C)[NH2+]CCCn1cc[nH+]c1 26516597 343089574 /nfs/dbraw/zinc/08/95/74/343089574.db2.gz DXNOCTDOORZIRC-NSHDSACASA-N 2 2 195.310 1.907 20 0 ADADLP CC(C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1 26516595 343089584 /nfs/dbraw/zinc/08/95/84/343089584.db2.gz DXNOCTDOORZIRC-LLVKDONJSA-N 2 2 195.310 1.907 20 0 ADADLP Cc1cn2cc(C[NH3+])ccc2[nH+]1 36243502 343142836 /nfs/dbraw/zinc/14/28/36/343142836.db2.gz DBEUTCMZUFDKBL-UHFFFAOYSA-N 2 2 161.208 1.101 20 0 ADADLP Cc1cn2cccc(C[NH3+])c2[nH+]1 36243375 343142840 /nfs/dbraw/zinc/14/28/40/343142840.db2.gz XYJMYBZOFCIVMI-UHFFFAOYSA-N 2 2 161.208 1.101 20 0 ADADLP C[C@H](C1CC1)[N@@H+]1CCC[NH2+]CC1 38086968 343184635 /nfs/dbraw/zinc/18/46/35/343184635.db2.gz ZHKNORSXUSWZCT-SECBINFHSA-N 2 2 168.284 1.080 20 0 ADADLP C[C@H](C1CC1)[N@H+]1CCC[NH2+]CC1 38086968 343184636 /nfs/dbraw/zinc/18/46/36/343184636.db2.gz ZHKNORSXUSWZCT-SECBINFHSA-N 2 2 168.284 1.080 20 0 ADADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C1 39215895 343206504 /nfs/dbraw/zinc/20/65/04/343206504.db2.gz YSVSROHZZNQVGJ-GFCCVEGCSA-N 2 2 190.290 1.480 20 0 ADADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C1 39215895 343206505 /nfs/dbraw/zinc/20/65/05/343206505.db2.gz YSVSROHZZNQVGJ-GFCCVEGCSA-N 2 2 190.290 1.480 20 0 ADADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCCC2)C1 40725359 343222229 /nfs/dbraw/zinc/22/22/29/343222229.db2.gz SUXPYVXGFWLNKG-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP Cc1cc(NC[C@@H](C)[NH+](C)C)nc[nH+]1 40727384 343222362 /nfs/dbraw/zinc/22/23/62/343222362.db2.gz LNZFGJCNOVZPCL-SECBINFHSA-N 2 2 194.282 1.147 20 0 ADADLP Cc1cc(NC[C@H](C)[NH+](C)C)nc[nH+]1 40727386 343222451 /nfs/dbraw/zinc/22/24/51/343222451.db2.gz LNZFGJCNOVZPCL-VIFPVBQESA-N 2 2 194.282 1.147 20 0 ADADLP C[C@H]1CC[N@H+](CC[NH2+]CC2CC2)C1 40725331 343222478 /nfs/dbraw/zinc/22/24/78/343222478.db2.gz BKCOWQPBMKXRKT-JTQLQIEISA-N 2 2 182.311 1.328 20 0 ADADLP C[C@H]1CC[N@@H+](CC[NH2+]CC2CC2)C1 40725331 343222479 /nfs/dbraw/zinc/22/24/79/343222479.db2.gz BKCOWQPBMKXRKT-JTQLQIEISA-N 2 2 182.311 1.328 20 0 ADADLP CC[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 40925985 343224264 /nfs/dbraw/zinc/22/42/64/343224264.db2.gz SBIGBROFEQTMNC-SNVBAGLBSA-N 2 2 184.327 1.846 20 0 ADADLP CC[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 40925985 343224266 /nfs/dbraw/zinc/22/42/66/343224266.db2.gz SBIGBROFEQTMNC-SNVBAGLBSA-N 2 2 184.327 1.846 20 0 ADADLP CC(C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44684509 343268070 /nfs/dbraw/zinc/26/80/70/343268070.db2.gz MADWFSXHPUUELI-SECBINFHSA-N 2 2 168.284 1.221 20 0 ADADLP CC(C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44684509 343268072 /nfs/dbraw/zinc/26/80/72/343268072.db2.gz MADWFSXHPUUELI-SECBINFHSA-N 2 2 168.284 1.221 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C1CCCC1 45073105 343271375 /nfs/dbraw/zinc/27/13/75/343271375.db2.gz XOIMGFMWBZQNLS-CMPLNLGQSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C1CCCC1 45073105 343271376 /nfs/dbraw/zinc/27/13/76/343271376.db2.gz XOIMGFMWBZQNLS-CMPLNLGQSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C1)C1CCCC1 54081115 343317642 /nfs/dbraw/zinc/31/76/42/343317642.db2.gz SVHTUJMODAJNOG-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C1)C1CCCC1 54081115 343317643 /nfs/dbraw/zinc/31/76/43/343317643.db2.gz SVHTUJMODAJNOG-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C1)C1CCCC1 54081119 343317654 /nfs/dbraw/zinc/31/76/54/343317654.db2.gz SVHTUJMODAJNOG-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C1)C1CCCC1 54081119 343317655 /nfs/dbraw/zinc/31/76/55/343317655.db2.gz SVHTUJMODAJNOG-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP Cc1nc(NC[C@H](C)[NH+](C)C)cc[nH+]1 54936030 343332355 /nfs/dbraw/zinc/33/23/55/343332355.db2.gz KFDYWLPGKNYNSI-QMMMGPOBSA-N 2 2 194.282 1.147 20 0 ADADLP Cc1cccc(CCn2cc[nH+]c2)[nH+]1 59601943 343346163 /nfs/dbraw/zinc/34/61/63/343346163.db2.gz GYYMOAGAEJUECL-UHFFFAOYSA-N 2 2 187.246 1.829 20 0 ADADLP CCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 63191371 343405443 /nfs/dbraw/zinc/40/54/43/343405443.db2.gz CAEGIYPIGQFWJI-ZJUUUORDSA-N 2 2 170.300 1.598 20 0 ADADLP CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1cccs1 69799639 343443025 /nfs/dbraw/zinc/44/30/25/343443025.db2.gz DDDDDNPINLXNKL-PSASIEDQSA-N 2 2 196.319 1.842 20 0 ADADLP C[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1cccs1 69798755 343443303 /nfs/dbraw/zinc/44/33/03/343443303.db2.gz ZTSQUORXRLFBCX-IONNQARKSA-N 2 2 182.292 1.452 20 0 ADADLP C[N@H+]1CC[C@H]([NH3+])[C@@H]1c1cccs1 69798755 343443304 /nfs/dbraw/zinc/44/33/04/343443304.db2.gz ZTSQUORXRLFBCX-IONNQARKSA-N 2 2 182.292 1.452 20 0 ADADLP C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1cccs1 69798756 343443342 /nfs/dbraw/zinc/44/33/42/343443342.db2.gz ZTSQUORXRLFBCX-VXNVDRBHSA-N 2 2 182.292 1.452 20 0 ADADLP C[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1cccs1 69798756 343443343 /nfs/dbraw/zinc/44/33/43/343443343.db2.gz ZTSQUORXRLFBCX-VXNVDRBHSA-N 2 2 182.292 1.452 20 0 ADADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C(C)C)C1 70558200 343490102 /nfs/dbraw/zinc/49/01/02/343490102.db2.gz TUOPOOKCDKVDGP-LLVKDONJSA-N 2 2 184.327 1.857 20 0 ADADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C(C)C)C1 70558200 343490103 /nfs/dbraw/zinc/49/01/03/343490103.db2.gz TUOPOOKCDKVDGP-LLVKDONJSA-N 2 2 184.327 1.857 20 0 ADADLP CCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 70558191 343490109 /nfs/dbraw/zinc/49/01/09/343490109.db2.gz BIWDEGBFKZLMBP-LLVKDONJSA-N 2 2 184.327 1.859 20 0 ADADLP CCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 70558191 343490111 /nfs/dbraw/zinc/49/01/11/343490111.db2.gz BIWDEGBFKZLMBP-LLVKDONJSA-N 2 2 184.327 1.859 20 0 ADADLP C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 70642852 343514755 /nfs/dbraw/zinc/51/47/55/343514755.db2.gz RIJHENDWAXWSAA-NWDGAFQWSA-N 2 2 196.338 1.860 20 0 ADADLP Cc1cccc(C)c1[C@@H]([NH3+])C[NH3+] 72199992 343561173 /nfs/dbraw/zinc/56/11/73/343561173.db2.gz SGZPYNJYDPDBDE-VIFPVBQESA-N 2 2 164.252 1.262 20 0 ADADLP CC[C@H]([NH3+])Cc1c[nH+]c2ccccn12 74275602 343571674 /nfs/dbraw/zinc/57/16/74/343571674.db2.gz IQTRUYKKVNATOK-VIFPVBQESA-N 2 2 189.262 1.614 20 0 ADADLP CC(C)[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] 84126984 343631295 /nfs/dbraw/zinc/63/12/95/343631295.db2.gz NWSUDBLIQGFRRW-JTQLQIEISA-N 2 2 184.327 1.844 20 0 ADADLP CCc1[nH+]ccn1Cc1c[nH+]cn1C 85192000 343641421 /nfs/dbraw/zinc/64/14/21/343641421.db2.gz PKTAGLBIFGDCLT-UHFFFAOYSA-N 2 2 190.250 1.227 20 0 ADADLP c1csc(C[NH2+][C@H]2CC[NH2+]C2)c1 86725404 343654265 /nfs/dbraw/zinc/65/42/65/343654265.db2.gz AEIKHURJBMLBGC-QMMMGPOBSA-N 2 2 182.292 1.200 20 0 ADADLP C[N@@H+](Cc1cccnc1)C1CC([NH3+])C1 87653222 343662628 /nfs/dbraw/zinc/66/26/28/343662628.db2.gz ABJPNIAVPXYHRK-UHFFFAOYSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@@H](CF)[NH2+]C1CC[NH+](C)CC1 98188428 343707254 /nfs/dbraw/zinc/70/72/54/343707254.db2.gz PKOYTJXYNMMDSI-QMMMGPOBSA-N 2 2 174.263 1.028 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(C)(C)C 108297374 343751795 /nfs/dbraw/zinc/75/17/95/343751795.db2.gz UKULXQNPBZMUKP-VHSXEESVSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C(C)(C)C 108297374 343751796 /nfs/dbraw/zinc/75/17/96/343751796.db2.gz UKULXQNPBZMUKP-VHSXEESVSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@H]1CCCCC[N@@H+]1C[C@@H](C)[NH3+] 108297388 343751800 /nfs/dbraw/zinc/75/18/00/343751800.db2.gz AHRKOWUCLPNNEQ-MNOVXSKESA-N 2 2 184.327 1.988 20 0 ADADLP CC[C@H]1CCCCC[N@H+]1C[C@@H](C)[NH3+] 108297388 343751801 /nfs/dbraw/zinc/75/18/01/343751801.db2.gz AHRKOWUCLPNNEQ-MNOVXSKESA-N 2 2 184.327 1.988 20 0 ADADLP C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 112943259 343755974 /nfs/dbraw/zinc/75/59/74/343755974.db2.gz SJLGLJJWNMDHAO-LLVKDONJSA-N 2 2 193.294 1.615 20 0 ADADLP CC1CC([NH2+][C@@H]2CC[N@H+](C)C2)C1 130309978 343866353 /nfs/dbraw/zinc/86/63/53/343866353.db2.gz ULKOOISUWZRNHH-HWOCKDDLSA-N 2 2 168.284 1.079 20 0 ADADLP CC1CC([NH2+][C@@H]2CC[N@@H+](C)C2)C1 130309978 343866354 /nfs/dbraw/zinc/86/63/54/343866354.db2.gz ULKOOISUWZRNHH-HWOCKDDLSA-N 2 2 168.284 1.079 20 0 ADADLP CC1CC([NH2+][C@H]2CC[N@H+](C)C2)C1 130310201 343866372 /nfs/dbraw/zinc/86/63/72/343866372.db2.gz ULKOOISUWZRNHH-KYHHOPLUSA-N 2 2 168.284 1.079 20 0 ADADLP CC1CC([NH2+][C@H]2CC[N@@H+](C)C2)C1 130310201 343866373 /nfs/dbraw/zinc/86/63/73/343866373.db2.gz ULKOOISUWZRNHH-KYHHOPLUSA-N 2 2 168.284 1.079 20 0 ADADLP Cc1cc(N[C@@H](C)C[NH+](C)C)nc[nH+]1 130615460 343871004 /nfs/dbraw/zinc/87/10/04/343871004.db2.gz MCWAMBANCCFAGI-VIFPVBQESA-N 2 2 194.282 1.147 20 0 ADADLP Cc1nc(N[C@@H](C)C[NH+](C)C)cc[nH+]1 130606501 343871008 /nfs/dbraw/zinc/87/10/08/343871008.db2.gz RXYCMPCLCQAMRY-QMMMGPOBSA-N 2 2 194.282 1.147 20 0 ADADLP C1=CC[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)CC1 54765293 166075827 /nfs/dbraw/zinc/07/58/27/166075827.db2.gz OUKVSILOOPQXEJ-SNVBAGLBSA-N 2 2 191.278 1.856 20 0 ADADLP C1=CC[C@H](C[NH2+]Cc2c[nH+]c[nH]2)CC1 54765292 166076068 /nfs/dbraw/zinc/07/60/68/166076068.db2.gz OUKVSILOOPQXEJ-JTQLQIEISA-N 2 2 191.278 1.856 20 0 ADADLP C1CC1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 44686059 166085143 /nfs/dbraw/zinc/08/51/43/166085143.db2.gz IYOFPEMGLQJWKL-SNVBAGLBSA-N 2 2 180.295 1.223 20 0 ADADLP C1CC1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 44686059 166085145 /nfs/dbraw/zinc/08/51/45/166085145.db2.gz IYOFPEMGLQJWKL-SNVBAGLBSA-N 2 2 180.295 1.223 20 0 ADADLP C1CC1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44686062 166085881 /nfs/dbraw/zinc/08/58/81/166085881.db2.gz IYOFPEMGLQJWKL-JTQLQIEISA-N 2 2 180.295 1.223 20 0 ADADLP C1CC1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 44686062 166085882 /nfs/dbraw/zinc/08/58/82/166085882.db2.gz IYOFPEMGLQJWKL-JTQLQIEISA-N 2 2 180.295 1.223 20 0 ADADLP C1CCC([NH2+]CC[NH+]2CCCC2)C1 20126747 166088177 /nfs/dbraw/zinc/08/81/77/166088177.db2.gz PJXWYDYDUGSVBO-UHFFFAOYSA-N 2 2 182.311 1.614 20 0 ADADLP C1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 44683917 166088210 /nfs/dbraw/zinc/08/82/10/166088210.db2.gz FWNJAHSRKIHNNQ-LLVKDONJSA-N 2 2 194.322 1.755 20 0 ADADLP C1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 44683917 166088212 /nfs/dbraw/zinc/08/82/12/166088212.db2.gz FWNJAHSRKIHNNQ-LLVKDONJSA-N 2 2 194.322 1.755 20 0 ADADLP C1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 44683919 166088400 /nfs/dbraw/zinc/08/84/00/166088400.db2.gz FWNJAHSRKIHNNQ-NSHDSACASA-N 2 2 194.322 1.755 20 0 ADADLP C1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 44683919 166088401 /nfs/dbraw/zinc/08/84/01/166088401.db2.gz FWNJAHSRKIHNNQ-NSHDSACASA-N 2 2 194.322 1.755 20 0 ADADLP C1CC[NH+](CC[NH2+]CC2CC2)CC1 37478522 166091181 /nfs/dbraw/zinc/09/11/81/166091181.db2.gz ZHRNDWAHSFFIMV-UHFFFAOYSA-N 2 2 182.311 1.472 20 0 ADADLP CC[C@H]1C[N@H+](C[C@@H](C)[NH3+])CCS1 133069347 343911479 /nfs/dbraw/zinc/91/14/79/343911479.db2.gz ORAHLBSGKWYUPZ-BDAKNGLRSA-N 2 2 188.340 1.161 20 0 ADADLP CC[C@H]1C[N@@H+](C[C@@H](C)[NH3+])CCS1 133069347 343911480 /nfs/dbraw/zinc/91/14/80/343911480.db2.gz ORAHLBSGKWYUPZ-BDAKNGLRSA-N 2 2 188.340 1.161 20 0 ADADLP CC[C@@H]1C[N@H+](C[C@@H](C)[NH3+])CCS1 133069135 343911509 /nfs/dbraw/zinc/91/15/09/343911509.db2.gz ORAHLBSGKWYUPZ-RKDXNWHRSA-N 2 2 188.340 1.161 20 0 ADADLP CC[C@@H]1C[N@@H+](C[C@@H](C)[NH3+])CCS1 133069135 343911510 /nfs/dbraw/zinc/91/15/10/343911510.db2.gz ORAHLBSGKWYUPZ-RKDXNWHRSA-N 2 2 188.340 1.161 20 0 ADADLP CC(C)(C)CC[N@@H+]1CCC[NH2+]CC1 37399806 166351271 /nfs/dbraw/zinc/35/12/71/166351271.db2.gz CKPQTLWHDUILLE-UHFFFAOYSA-N 2 2 184.327 1.718 20 0 ADADLP CC(C)(C)CC[N@H+]1CCC[NH2+]CC1 37399806 166351275 /nfs/dbraw/zinc/35/12/75/166351275.db2.gz CKPQTLWHDUILLE-UHFFFAOYSA-N 2 2 184.327 1.718 20 0 ADADLP CC(C)(C)CC[NH2+]CCn1cc[nH+]c1 42225168 166351764 /nfs/dbraw/zinc/35/17/64/166351764.db2.gz PCEQEBRGWQSCFI-UHFFFAOYSA-N 2 2 195.310 1.909 20 0 ADADLP CC(C)(C)C[NH2+]CC[NH+]1CCCC1 41051161 166353685 /nfs/dbraw/zinc/35/36/85/166353685.db2.gz JYXPPMWVZLVJPV-UHFFFAOYSA-N 2 2 184.327 1.718 20 0 ADADLP CC(C)(C)[NH2+]CC[NH+]1CCCC1 41168361 166365438 /nfs/dbraw/zinc/36/54/38/166365438.db2.gz NJXPJLHVGCHSDR-UHFFFAOYSA-N 2 2 170.300 1.470 20 0 ADADLP CC(C)(C)[NH2+]Cc1c[nH+]c[nH]1 54762819 166366639 /nfs/dbraw/zinc/36/66/39/166366639.db2.gz NQVOAUXPODLJMI-UHFFFAOYSA-N 2 2 153.229 1.298 20 0 ADADLP CC(C)(C)c1ccc([C@@H]([NH3+])C[NH3+])cc1 35677059 166383088 /nfs/dbraw/zinc/38/30/88/166383088.db2.gz CUGFGTWPUAZCMS-NSHDSACASA-N 2 2 192.306 1.943 20 0 ADADLP CC(C)(C)c1ccc([C@H]([NH3+])C[NH3+])cc1 35677058 166384001 /nfs/dbraw/zinc/38/40/01/166384001.db2.gz CUGFGTWPUAZCMS-LLVKDONJSA-N 2 2 192.306 1.943 20 0 ADADLP CC(C)=CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 335599098 166419107 /nfs/dbraw/zinc/41/91/07/166419107.db2.gz NMOXFRCTXXMORF-GHMZBOCLSA-N 2 2 182.311 1.540 20 0 ADADLP CC(C)C[NH2+]CC[NH+]1CCCC1 20126773 166471579 /nfs/dbraw/zinc/47/15/79/166471579.db2.gz FKRGGCOCOFUALW-UHFFFAOYSA-N 2 2 170.300 1.328 20 0 ADADLP CC(C)C[NH2+]CCCn1cc[nH+]c1 34937282 166471886 /nfs/dbraw/zinc/47/18/86/166471886.db2.gz ORQDBIOMUFRCEM-UHFFFAOYSA-N 2 2 181.283 1.519 20 0 ADADLP CC(C)[NH2+][C@H]1CCn2cc[nH+]c2C1 306511922 166551785 /nfs/dbraw/zinc/55/17/85/166551785.db2.gz OFZZSJUWHNAINF-VIFPVBQESA-N 2 2 179.267 1.196 20 0 ADADLP CCC(CC)[NH2+]CCn1cc[nH+]c1 41042032 166794408 /nfs/dbraw/zinc/79/44/08/166794408.db2.gz RUSFHGTZWRKNPK-UHFFFAOYSA-N 2 2 181.283 1.661 20 0 ADADLP CCCC[NH2+]CCCn1cc[nH+]c1 26516057 166899050 /nfs/dbraw/zinc/89/90/50/166899050.db2.gz NOXTYZZLEMAZGF-UHFFFAOYSA-N 2 2 181.283 1.663 20 0 ADADLP CCC[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] 40925976 167031847 /nfs/dbraw/zinc/03/18/47/167031847.db2.gz MDXZMVOHTLPEIT-SECBINFHSA-N 2 2 172.316 1.844 20 0 ADADLP CCC[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] 40925976 167031850 /nfs/dbraw/zinc/03/18/50/167031850.db2.gz MDXZMVOHTLPEIT-SECBINFHSA-N 2 2 172.316 1.844 20 0 ADADLP CCC[C@@H](C)[NH2+]CC[NH+]1CCCC1 20126997 167035585 /nfs/dbraw/zinc/03/55/85/167035585.db2.gz JEYNJIXRGNIACA-LLVKDONJSA-N 2 2 184.327 1.860 20 0 ADADLP CCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 41042040 167035596 /nfs/dbraw/zinc/03/55/96/167035596.db2.gz DNNYZTVJSJJBIL-SNVBAGLBSA-N 2 2 181.283 1.661 20 0 ADADLP CCC[C@@H](C)[NH2+]CC[NH+](C)C 19399666 167035798 /nfs/dbraw/zinc/03/57/98/167035798.db2.gz QVLYVYHKICGKCU-SECBINFHSA-N 2 2 158.289 1.326 20 0 ADADLP CCC[C@@H](CC)[NH2+]CC[NH+](C)C 50404856 167040974 /nfs/dbraw/zinc/04/09/74/167040974.db2.gz RGOVIDATNZQRBQ-SNVBAGLBSA-N 2 2 172.316 1.716 20 0 ADADLP CCC[C@@H]1C[N@@H+]2CCC[C@@H]2C[NH2+]1 77263100 167052079 /nfs/dbraw/zinc/05/20/79/167052079.db2.gz AEMSRNHLEUPYQI-NXEZZACHSA-N 2 2 168.284 1.223 20 0 ADADLP CCC[C@@H]1C[N@H+]2CCC[C@@H]2C[NH2+]1 77263100 167052085 /nfs/dbraw/zinc/05/20/85/167052085.db2.gz AEMSRNHLEUPYQI-NXEZZACHSA-N 2 2 168.284 1.223 20 0 ADADLP CCC[C@@H]1C[N@@H+]2CCC[C@H]2C[NH2+]1 100388047 167053875 /nfs/dbraw/zinc/05/38/75/167053875.db2.gz AEMSRNHLEUPYQI-ZJUUUORDSA-N 2 2 168.284 1.223 20 0 ADADLP CCC[C@@H]1C[N@H+]2CCC[C@H]2C[NH2+]1 100388047 167053877 /nfs/dbraw/zinc/05/38/77/167053877.db2.gz AEMSRNHLEUPYQI-ZJUUUORDSA-N 2 2 168.284 1.223 20 0 ADADLP CCC[C@H](C)[N@H+](C)CC(C)(C)[NH3+] 40925979 167067587 /nfs/dbraw/zinc/06/75/87/167067587.db2.gz MDXZMVOHTLPEIT-VIFPVBQESA-N 2 2 172.316 1.844 20 0 ADADLP CCC[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] 40925979 167067589 /nfs/dbraw/zinc/06/75/89/167067589.db2.gz MDXZMVOHTLPEIT-VIFPVBQESA-N 2 2 172.316 1.844 20 0 ADADLP CCC[C@H](C)[NH2+]CC[NH+]1CCCC1 20126998 167069748 /nfs/dbraw/zinc/06/97/48/167069748.db2.gz JEYNJIXRGNIACA-NSHDSACASA-N 2 2 184.327 1.860 20 0 ADADLP CCC[C@H](C)[NH2+]CCn1cc[nH+]c1 41042041 167070832 /nfs/dbraw/zinc/07/08/32/167070832.db2.gz DNNYZTVJSJJBIL-JTQLQIEISA-N 2 2 181.283 1.661 20 0 ADADLP CCC[C@H](C)[NH2+]CC[NH+](C)C 19399669 167070864 /nfs/dbraw/zinc/07/08/64/167070864.db2.gz QVLYVYHKICGKCU-VIFPVBQESA-N 2 2 158.289 1.326 20 0 ADADLP CCC[C@H](CC)[NH2+]CC[NH+](C)C 50404858 167076892 /nfs/dbraw/zinc/07/68/92/167076892.db2.gz RGOVIDATNZQRBQ-JTQLQIEISA-N 2 2 172.316 1.716 20 0 ADADLP CCC[C@H]1C[N@@H+]2CCC[C@@H]2C[NH2+]1 77263102 167090839 /nfs/dbraw/zinc/09/08/39/167090839.db2.gz AEMSRNHLEUPYQI-VHSXEESVSA-N 2 2 168.284 1.223 20 0 ADADLP CCC[C@H]1C[N@H+]2CCC[C@@H]2C[NH2+]1 77263102 167090840 /nfs/dbraw/zinc/09/08/40/167090840.db2.gz AEMSRNHLEUPYQI-VHSXEESVSA-N 2 2 168.284 1.223 20 0 ADADLP CCCc1cc(NCCC[NH3+])nc[nH+]1 40765503 167101170 /nfs/dbraw/zinc/10/11/70/167101170.db2.gz MQJZJTXYLQXKQI-UHFFFAOYSA-N 2 2 194.282 1.190 20 0 ADADLP CC[N@H+](CC(C)C)CC(C)(C)[NH3+] 40925895 167156497 /nfs/dbraw/zinc/15/64/97/167156497.db2.gz SLBPRTUHFMQSGS-UHFFFAOYSA-N 2 2 172.316 1.702 20 0 ADADLP CC[N@@H+](CC(C)C)CC(C)(C)[NH3+] 40925895 167156500 /nfs/dbraw/zinc/15/65/00/167156500.db2.gz SLBPRTUHFMQSGS-UHFFFAOYSA-N 2 2 172.316 1.702 20 0 ADADLP CC[N@H+](CC(C)(C)[NH3+])C(C)C 40925869 167158124 /nfs/dbraw/zinc/15/81/24/167158124.db2.gz ZZJIJHIUTHJZRW-UHFFFAOYSA-N 2 2 158.289 1.454 20 0 ADADLP CC[N@@H+](CC(C)(C)[NH3+])C(C)C 40925869 167158127 /nfs/dbraw/zinc/15/81/27/167158127.db2.gz ZZJIJHIUTHJZRW-UHFFFAOYSA-N 2 2 158.289 1.454 20 0 ADADLP CC[NH+](CC)CC[NH2+][C@@H](C)C(C)C 19919435 167165172 /nfs/dbraw/zinc/16/51/72/167165172.db2.gz DWAMPKISQLRMFH-NSHDSACASA-N 2 2 186.343 1.962 20 0 ADADLP CC[NH+](CC)CC[NH2+]C(C)(C)C 20056718 167166358 /nfs/dbraw/zinc/16/63/58/167166358.db2.gz RQINDJXCSPSSHG-UHFFFAOYSA-N 2 2 172.316 1.716 20 0 ADADLP CC[NH+](CC)CC[NH2+][C@@H](C)C1CC1 19919393 167166847 /nfs/dbraw/zinc/16/68/47/167166847.db2.gz VTXHHVNJCNFVDL-JTQLQIEISA-N 2 2 184.327 1.716 20 0 ADADLP CC[NH+](CC)CC[NH2+][C@H](C)C1CC1 19919395 167167933 /nfs/dbraw/zinc/16/79/33/167167933.db2.gz VTXHHVNJCNFVDL-SNVBAGLBSA-N 2 2 184.327 1.716 20 0 ADADLP CC[NH+](CC)CC[NH2+][C@H](C)C(C)C 19919437 167168371 /nfs/dbraw/zinc/16/83/71/167168371.db2.gz DWAMPKISQLRMFH-LLVKDONJSA-N 2 2 186.343 1.962 20 0 ADADLP CC[N@H+](C[C@@H](C)[NH3+])C1CCCCC1 22222328 167187410 /nfs/dbraw/zinc/18/74/10/167187410.db2.gz XUNALSREEZUAEN-SNVBAGLBSA-N 2 2 184.327 1.988 20 0 ADADLP CC[N@@H+](C[C@@H](C)[NH3+])C1CCCCC1 22222328 167187412 /nfs/dbraw/zinc/18/74/12/167187412.db2.gz XUNALSREEZUAEN-SNVBAGLBSA-N 2 2 184.327 1.988 20 0 ADADLP CC[N@@H+](Cc1ccccc1)C[C@H](C)[NH3+] 39185310 167191074 /nfs/dbraw/zinc/19/10/74/167191074.db2.gz MSYQKFLYACKCMR-NSHDSACASA-N 2 2 192.306 1.856 20 0 ADADLP CC[N@H+](Cc1ccccc1)C[C@H](C)[NH3+] 39185310 167191077 /nfs/dbraw/zinc/19/10/77/167191077.db2.gz MSYQKFLYACKCMR-NSHDSACASA-N 2 2 192.306 1.856 20 0 ADADLP CC[N@@H+](Cc1ccccc1)C[C@@H](C)[NH3+] 20486648 167191439 /nfs/dbraw/zinc/19/14/39/167191439.db2.gz MSYQKFLYACKCMR-LLVKDONJSA-N 2 2 192.306 1.856 20 0 ADADLP CC[N@H+](Cc1ccccc1)C[C@@H](C)[NH3+] 20486648 167191441 /nfs/dbraw/zinc/19/14/41/167191441.db2.gz MSYQKFLYACKCMR-LLVKDONJSA-N 2 2 192.306 1.856 20 0 ADADLP CC[N@H+](C[C@H](C)[NH3+])C1CCCCC1 22222330 167192115 /nfs/dbraw/zinc/19/21/15/167192115.db2.gz XUNALSREEZUAEN-JTQLQIEISA-N 2 2 184.327 1.988 20 0 ADADLP CC[N@@H+](C[C@H](C)[NH3+])C1CCCCC1 22222330 167192117 /nfs/dbraw/zinc/19/21/17/167192117.db2.gz XUNALSREEZUAEN-JTQLQIEISA-N 2 2 184.327 1.988 20 0 ADADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C(C)C 53651561 167200939 /nfs/dbraw/zinc/20/09/39/167200939.db2.gz WDKMXVITGAIIBQ-NSHDSACASA-N 2 2 184.327 1.859 20 0 ADADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C(C)C 53651561 167200940 /nfs/dbraw/zinc/20/09/40/167200940.db2.gz WDKMXVITGAIIBQ-NSHDSACASA-N 2 2 184.327 1.859 20 0 ADADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C(C)C 53651559 167203487 /nfs/dbraw/zinc/20/34/87/167203487.db2.gz WDKMXVITGAIIBQ-LLVKDONJSA-N 2 2 184.327 1.859 20 0 ADADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C(C)C 53651559 167203490 /nfs/dbraw/zinc/20/34/90/167203490.db2.gz WDKMXVITGAIIBQ-LLVKDONJSA-N 2 2 184.327 1.859 20 0 ADADLP CC[NH+]1CCC(n2cc[nH+]c2)CC1 334694080 167204086 /nfs/dbraw/zinc/20/40/86/167204086.db2.gz ZGLQLINQJJFHLJ-UHFFFAOYSA-N 2 2 179.267 1.540 20 0 ADADLP CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 336616586 167205340 /nfs/dbraw/zinc/20/53/40/167205340.db2.gz IRHKSKZCGWFJMT-SECBINFHSA-N 2 2 179.267 1.609 20 0 ADADLP CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 336616586 167205341 /nfs/dbraw/zinc/20/53/41/167205341.db2.gz IRHKSKZCGWFJMT-SECBINFHSA-N 2 2 179.267 1.609 20 0 ADADLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC1CC1 37118316 167205707 /nfs/dbraw/zinc/20/57/07/167205707.db2.gz QRJYSPZBXGIBRR-NSHDSACASA-N 2 2 182.311 1.470 20 0 ADADLP CC[N@H+]1CCC[C@H]1C[NH2+]CC1CC1 37118316 167205711 /nfs/dbraw/zinc/20/57/11/167205711.db2.gz QRJYSPZBXGIBRR-NSHDSACASA-N 2 2 182.311 1.470 20 0 ADADLP CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 336616587 167206258 /nfs/dbraw/zinc/20/62/58/167206258.db2.gz IRHKSKZCGWFJMT-VIFPVBQESA-N 2 2 179.267 1.609 20 0 ADADLP CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 336616587 167206259 /nfs/dbraw/zinc/20/62/59/167206259.db2.gz IRHKSKZCGWFJMT-VIFPVBQESA-N 2 2 179.267 1.609 20 0 ADADLP CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 40502253 167206269 /nfs/dbraw/zinc/20/62/69/167206269.db2.gz MAEAUOXUSYQWCR-JTQLQIEISA-N 2 2 170.300 1.469 20 0 ADADLP CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 40502253 167206270 /nfs/dbraw/zinc/20/62/70/167206270.db2.gz MAEAUOXUSYQWCR-JTQLQIEISA-N 2 2 170.300 1.469 20 0 ADADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CC1 19960106 167206885 /nfs/dbraw/zinc/20/68/85/167206885.db2.gz ILVJGONZWFEGCU-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CC1 19960106 167206888 /nfs/dbraw/zinc/20/68/88/167206888.db2.gz ILVJGONZWFEGCU-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC1CC1 37118315 167209741 /nfs/dbraw/zinc/20/97/41/167209741.db2.gz QRJYSPZBXGIBRR-LLVKDONJSA-N 2 2 182.311 1.470 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC1CC1 37118315 167209742 /nfs/dbraw/zinc/20/97/42/167209742.db2.gz QRJYSPZBXGIBRR-LLVKDONJSA-N 2 2 182.311 1.470 20 0 ADADLP CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 40502254 167210872 /nfs/dbraw/zinc/21/08/72/167210872.db2.gz MAEAUOXUSYQWCR-SNVBAGLBSA-N 2 2 170.300 1.469 20 0 ADADLP CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 40502254 167210875 /nfs/dbraw/zinc/21/08/75/167210875.db2.gz MAEAUOXUSYQWCR-SNVBAGLBSA-N 2 2 170.300 1.469 20 0 ADADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 307569388 167218303 /nfs/dbraw/zinc/21/83/03/167218303.db2.gz VUOIPBSAXYZMQL-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 307569388 167218307 /nfs/dbraw/zinc/21/83/07/167218307.db2.gz VUOIPBSAXYZMQL-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 336415017 167218639 /nfs/dbraw/zinc/21/86/39/167218639.db2.gz MISVLJVINLNTRS-MNOVXSKESA-N 2 2 193.294 1.786 20 0 ADADLP CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 336415017 167218640 /nfs/dbraw/zinc/21/86/40/167218640.db2.gz MISVLJVINLNTRS-MNOVXSKESA-N 2 2 193.294 1.786 20 0 ADADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 307569389 167219689 /nfs/dbraw/zinc/21/96/89/167219689.db2.gz VUOIPBSAXYZMQL-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 307569389 167219690 /nfs/dbraw/zinc/21/96/90/167219690.db2.gz VUOIPBSAXYZMQL-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 334173842 167220171 /nfs/dbraw/zinc/22/01/71/167220171.db2.gz BVYROUTUIYWJAK-LLVKDONJSA-N 2 2 192.262 1.555 20 0 ADADLP CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 334173842 167220174 /nfs/dbraw/zinc/22/01/74/167220174.db2.gz BVYROUTUIYWJAK-LLVKDONJSA-N 2 2 192.262 1.555 20 0 ADADLP CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 336415016 167220829 /nfs/dbraw/zinc/22/08/29/167220829.db2.gz MISVLJVINLNTRS-GHMZBOCLSA-N 2 2 193.294 1.786 20 0 ADADLP CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 336415016 167220831 /nfs/dbraw/zinc/22/08/31/167220831.db2.gz MISVLJVINLNTRS-GHMZBOCLSA-N 2 2 193.294 1.786 20 0 ADADLP CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 336415019 167222150 /nfs/dbraw/zinc/22/21/50/167222150.db2.gz MISVLJVINLNTRS-WDEREUQCSA-N 2 2 193.294 1.786 20 0 ADADLP CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 336415019 167222152 /nfs/dbraw/zinc/22/21/52/167222152.db2.gz MISVLJVINLNTRS-WDEREUQCSA-N 2 2 193.294 1.786 20 0 ADADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)C1 307569391 167222528 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ZZNUHWJVFKEAIX-NEPJUHHUSA-N 2 2 196.338 1.953 20 0 ADADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C 335525232 167223246 /nfs/dbraw/zinc/22/32/46/167223246.db2.gz ZZNUHWJVFKEAIX-NEPJUHHUSA-N 2 2 196.338 1.953 20 0 ADADLP CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 336415018 167223445 /nfs/dbraw/zinc/22/34/45/167223445.db2.gz MISVLJVINLNTRS-QWRGUYRKSA-N 2 2 193.294 1.786 20 0 ADADLP CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 336415018 167223449 /nfs/dbraw/zinc/22/34/49/167223449.db2.gz MISVLJVINLNTRS-QWRGUYRKSA-N 2 2 193.294 1.786 20 0 ADADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC 336552201 167224437 /nfs/dbraw/zinc/22/44/37/167224437.db2.gz JCOVJBJQYSCSQY-MNOVXSKESA-N 2 2 182.311 1.565 20 0 ADADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC 336552201 167224440 /nfs/dbraw/zinc/22/44/40/167224440.db2.gz JCOVJBJQYSCSQY-MNOVXSKESA-N 2 2 182.311 1.565 20 0 ADADLP CC[NH+]1[C@H]2CC[C@@H]1CC[N@@H+](CC)C2 336552201 167224441 /nfs/dbraw/zinc/22/44/41/167224441.db2.gz JCOVJBJQYSCSQY-MNOVXSKESA-N 2 2 182.311 1.565 20 0 ADADLP CC[NH+]1[C@H]2CC[C@@H]1CC[N@H+](CC)C2 336552201 167224444 /nfs/dbraw/zinc/22/44/44/167224444.db2.gz JCOVJBJQYSCSQY-MNOVXSKESA-N 2 2 182.311 1.565 20 0 ADADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)C1 307569390 167225278 /nfs/dbraw/zinc/22/52/78/167225278.db2.gz VUOIPBSAXYZMQL-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)C1 307569390 167225279 /nfs/dbraw/zinc/22/52/79/167225279.db2.gz VUOIPBSAXYZMQL-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1Cc2ccccc2[C@@H]([NH3+])C1 95883963 167230319 /nfs/dbraw/zinc/23/03/19/167230319.db2.gz GJCXJKZNAKBPNO-NSHDSACASA-N 2 2 176.263 1.522 20 0 ADADLP CC[N@@H+]1Cc2ccccc2[C@@H]([NH3+])C1 95883963 167230322 /nfs/dbraw/zinc/23/03/22/167230322.db2.gz GJCXJKZNAKBPNO-NSHDSACASA-N 2 2 176.263 1.522 20 0 ADADLP CC[N@H+]1Cc2ccccc2[C@H]([NH3+])C1 95883962 167232138 /nfs/dbraw/zinc/23/21/38/167232138.db2.gz GJCXJKZNAKBPNO-LLVKDONJSA-N 2 2 176.263 1.522 20 0 ADADLP CC[N@@H+]1Cc2ccccc2[C@H]([NH3+])C1 95883962 167232140 /nfs/dbraw/zinc/23/21/40/167232140.db2.gz GJCXJKZNAKBPNO-LLVKDONJSA-N 2 2 176.263 1.522 20 0 ADADLP CC[NH2+]CC[NH2+]Cc1cccs1 44651719 167265312 /nfs/dbraw/zinc/26/53/12/167265312.db2.gz KNHYAZGEZNWZGZ-UHFFFAOYSA-N 2 2 184.308 1.447 20 0 ADADLP CC[NH2+]CC[NH2+]Cc1ccc(C)s1 50226793 167266741 /nfs/dbraw/zinc/26/67/41/167266741.db2.gz QKYMDAXGSMMAHK-UHFFFAOYSA-N 2 2 198.335 1.756 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CC1 19960102 167209265 /nfs/dbraw/zinc/20/92/65/167209265.db2.gz ILVJGONZWFEGCU-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CC1 19960102 167209267 /nfs/dbraw/zinc/20/92/67/167209267.db2.gz ILVJGONZWFEGCU-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H](C)[C@@H](C)[NH2+]CCn1cc[nH+]c1 41050942 167484955 /nfs/dbraw/zinc/48/49/55/167484955.db2.gz QGGOUZHSJWJUEI-GHMZBOCLSA-N 2 2 195.310 1.907 20 0 ADADLP C[NH2+]CCC[NH+]1Cc2ccccc2C1 49899906 167993798 /nfs/dbraw/zinc/99/37/98/167993798.db2.gz WPQYQHFYGYAEFK-UHFFFAOYSA-N 2 2 190.290 1.612 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccccc1 34426190 168003415 /nfs/dbraw/zinc/00/34/15/168003415.db2.gz MESZJCHEPYCGHT-SNVBAGLBSA-N 2 2 178.279 1.384 20 0 ADADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C 42407728 168006813 /nfs/dbraw/zinc/00/68/13/168006813.db2.gz JTZGVDGAZUEZII-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C 42407728 168006814 /nfs/dbraw/zinc/00/68/14/168006814.db2.gz JTZGVDGAZUEZII-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCC1 42390544 168007980 /nfs/dbraw/zinc/00/79/80/168007980.db2.gz BLKKFGRFPHUINR-LBPRGKRZSA-N 2 2 196.338 1.860 20 0 ADADLP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCC1 42390544 168007981 /nfs/dbraw/zinc/00/79/81/168007981.db2.gz BLKKFGRFPHUINR-LBPRGKRZSA-N 2 2 196.338 1.860 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccccc1 34426189 168011092 /nfs/dbraw/zinc/01/10/92/168011092.db2.gz MESZJCHEPYCGHT-JTQLQIEISA-N 2 2 178.279 1.384 20 0 ADADLP C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCC1 42390548 168012812 /nfs/dbraw/zinc/01/28/12/168012812.db2.gz BLKKFGRFPHUINR-GFCCVEGCSA-N 2 2 196.338 1.860 20 0 ADADLP C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCC1 42390548 168012813 /nfs/dbraw/zinc/01/28/13/168012813.db2.gz BLKKFGRFPHUINR-GFCCVEGCSA-N 2 2 196.338 1.860 20 0 ADADLP C[NH2+][C@@H](CC(C)C)C[NH+](C)C 49555932 168036925 /nfs/dbraw/zinc/03/69/25/168036925.db2.gz FWWOWMZZMKYTEH-VIFPVBQESA-N 2 2 158.289 1.182 20 0 ADADLP C[NH2+][C@@H]1CCC[C@@H]1[NH+]1CCC(C)CC1 43806335 168040412 /nfs/dbraw/zinc/04/04/12/168040412.db2.gz AVGCFVBHXUXLJA-NEPJUHHUSA-N 2 2 196.338 1.859 20 0 ADADLP C[NH2+][C@@H]1CCC[C@H]1[NH+]1CCC(C)CC1 43806333 168042135 /nfs/dbraw/zinc/04/21/35/168042135.db2.gz AVGCFVBHXUXLJA-VXGBXAGGSA-N 2 2 196.338 1.859 20 0 ADADLP C[NH2+][C@H](CC(C)C)C[NH+](C)C 49555933 168051913 /nfs/dbraw/zinc/05/19/13/168051913.db2.gz FWWOWMZZMKYTEH-SECBINFHSA-N 2 2 158.289 1.182 20 0 ADADLP C[NH2+][C@H]1CCC[C@@H]1[NH+]1CCC(C)CC1 43806331 168057259 /nfs/dbraw/zinc/05/72/59/168057259.db2.gz AVGCFVBHXUXLJA-RYUDHWBXSA-N 2 2 196.338 1.859 20 0 ADADLP C[NH2+][C@H]1CCC[C@H]1[NH+]1CCC(C)CC1 43806329 168058109 /nfs/dbraw/zinc/05/81/09/168058109.db2.gz AVGCFVBHXUXLJA-NWDGAFQWSA-N 2 2 196.338 1.859 20 0 ADADLP CO[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 54765306 168207842 /nfs/dbraw/zinc/20/78/42/168207842.db2.gz OLOZHKDUVUABBZ-NXEZZACHSA-N 2 2 195.266 1.067 20 0 ADADLP COc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 37712405 168258499 /nfs/dbraw/zinc/25/84/99/168258499.db2.gz BGKYIBNWEHEEOM-SECBINFHSA-N 2 2 194.278 1.305 20 0 ADADLP COc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 37712404 168259753 /nfs/dbraw/zinc/25/97/53/168259753.db2.gz BGKYIBNWEHEEOM-VIFPVBQESA-N 2 2 194.278 1.305 20 0 ADADLP COc1cc[nH+]c(Cn2cc[nH+]c2)c1 336373583 168280664 /nfs/dbraw/zinc/28/06/64/168280664.db2.gz FFAWQVAAFHVKQC-UHFFFAOYSA-N 2 2 189.218 1.335 20 0 ADADLP C[C@@H](C1CC1)[N@H+](C)CC(C)(C)[NH3+] 40925962 168331136 /nfs/dbraw/zinc/33/11/36/168331136.db2.gz AFGHGIGSRBJSQM-QMMMGPOBSA-N 2 2 170.300 1.454 20 0 ADADLP C[C@@H](C1CC1)[N@@H+](C)CC(C)(C)[NH3+] 40925962 168331138 /nfs/dbraw/zinc/33/11/38/168331138.db2.gz AFGHGIGSRBJSQM-QMMMGPOBSA-N 2 2 170.300 1.454 20 0 ADADLP C[C@@H](C1CC1)[N@@H+]1CCC[NH2+]CC1 38086967 168331305 /nfs/dbraw/zinc/33/13/05/168331305.db2.gz ZHKNORSXUSWZCT-VIFPVBQESA-N 2 2 168.284 1.080 20 0 ADADLP C[C@@H](C1CC1)[N@H+]1CCC[NH2+]CC1 38086967 168331306 /nfs/dbraw/zinc/33/13/06/168331306.db2.gz ZHKNORSXUSWZCT-VIFPVBQESA-N 2 2 168.284 1.080 20 0 ADADLP C[C@@H](CC[NH+](C)C)Nc1cccc[nH+]1 49558537 168337612 /nfs/dbraw/zinc/33/76/12/168337612.db2.gz IBTXIXUOGYISTO-JTQLQIEISA-N 2 2 193.294 1.834 20 0 ADADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccco1 49551903 168338054 /nfs/dbraw/zinc/33/80/54/168338054.db2.gz LXGAAFSWMOXDOC-JTQLQIEISA-N 2 2 196.294 1.709 20 0 ADADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(F)cc1 20226752 168342979 /nfs/dbraw/zinc/34/29/79/168342979.db2.gz OPQOIFYADKSMNU-VIFPVBQESA-N 2 2 196.269 1.605 20 0 ADADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(F)cc1 20226752 168342981 /nfs/dbraw/zinc/34/29/81/168342981.db2.gz OPQOIFYADKSMNU-VIFPVBQESA-N 2 2 196.269 1.605 20 0 ADADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(F)c1 20226750 168343611 /nfs/dbraw/zinc/34/36/11/168343611.db2.gz SXUQBPQHDHVTCX-VIFPVBQESA-N 2 2 196.269 1.605 20 0 ADADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(F)c1 20226750 168343612 /nfs/dbraw/zinc/34/36/12/168343612.db2.gz SXUQBPQHDHVTCX-VIFPVBQESA-N 2 2 196.269 1.605 20 0 ADADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccsc1 35718741 168344193 /nfs/dbraw/zinc/34/41/93/168344193.db2.gz AOJRUSGEMBRNTC-QMMMGPOBSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccsc1 35718741 168344196 /nfs/dbraw/zinc/34/41/96/168344196.db2.gz AOJRUSGEMBRNTC-QMMMGPOBSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@@H](C[NH2+]CCC(C)(C)C)[NH+](C)C 45107381 168347793 /nfs/dbraw/zinc/34/77/93/168347793.db2.gz RKMIHAZULWADCL-JTQLQIEISA-N 2 2 186.343 1.962 20 0 ADADLP C[C@@H](C[NH2+][C@H]1CCSC1)[NH+](C)C 38089000 168348129 /nfs/dbraw/zinc/34/81/29/168348129.db2.gz ILZXVXBLRDEAMN-IUCAKERBSA-N 2 2 188.340 1.032 20 0 ADADLP C[C@@H](C[NH2+][C@@H]1CCSC1)[NH+](C)C 38088998 168348265 /nfs/dbraw/zinc/34/82/65/168348265.db2.gz ILZXVXBLRDEAMN-DTWKUNHWSA-N 2 2 188.340 1.032 20 0 ADADLP C[C@@H](C[NH2+]C1CCCCC1)[NH+](C)C 38088399 168348315 /nfs/dbraw/zinc/34/83/15/168348315.db2.gz KAXMIBNAAGSBLE-JTQLQIEISA-N 2 2 184.327 1.859 20 0 ADADLP C[C@@H](C[NH2+]CC1CC1)[NH+]1CCCCC1 38028942 168348711 /nfs/dbraw/zinc/34/87/11/168348711.db2.gz ZGIMBLMWWROPFB-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H](C[NH2+]C1CCCC1)[NH+](C)C 38088980 168349425 /nfs/dbraw/zinc/34/94/25/168349425.db2.gz BIRNASLMTLPCTL-VIFPVBQESA-N 2 2 170.300 1.469 20 0 ADADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCCC1 35275506 168355770 /nfs/dbraw/zinc/35/57/70/168355770.db2.gz FYYDHJPIQKIUTH-JTQLQIEISA-N 2 2 193.294 1.804 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1 19398802 168361727 /nfs/dbraw/zinc/36/17/27/168361727.db2.gz AVTMHOATGUADSI-SNVBAGLBSA-N 2 2 178.279 1.466 20 0 in-vitro ADADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1 19398802 168361730 /nfs/dbraw/zinc/36/17/30/168361730.db2.gz AVTMHOATGUADSI-SNVBAGLBSA-N 2 2 178.279 1.466 20 0 in-vitro ADADLP C[C@@H]([NH3+])C[N@@H+]1CCc2ccsc2C1 334965958 168361979 /nfs/dbraw/zinc/36/19/79/168361979.db2.gz CCOOMPMQBBQNHA-MRVPVSSYSA-N 2 2 196.319 1.453 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCc2ccsc2C1 334965958 168361982 /nfs/dbraw/zinc/36/19/82/168361982.db2.gz CCOOMPMQBBQNHA-MRVPVSSYSA-N 2 2 196.319 1.453 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C1CCC1 306148350 168362035 /nfs/dbraw/zinc/36/20/35/168362035.db2.gz BADCVWFTQYVDSO-KOLCDFICSA-N 2 2 182.311 1.598 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C1CCC1 306148350 168362037 /nfs/dbraw/zinc/36/20/37/168362037.db2.gz BADCVWFTQYVDSO-KOLCDFICSA-N 2 2 182.311 1.598 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)C1CCCCCC1 36328410 168362120 /nfs/dbraw/zinc/36/21/20/168362120.db2.gz LHUQMWZBDWNISO-SNVBAGLBSA-N 2 2 184.327 1.988 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)C1CCCCCC1 36328410 168362121 /nfs/dbraw/zinc/36/21/21/168362121.db2.gz LHUQMWZBDWNISO-SNVBAGLBSA-N 2 2 184.327 1.988 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccs1 35717780 168362214 /nfs/dbraw/zinc/36/22/14/168362214.db2.gz WAFGMMYOHYZTIM-MRVPVSSYSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccs1 35717780 168362217 /nfs/dbraw/zinc/36/22/17/168362217.db2.gz WAFGMMYOHYZTIM-MRVPVSSYSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C1CCC1 306148351 168362280 /nfs/dbraw/zinc/36/22/80/168362280.db2.gz BADCVWFTQYVDSO-MWLCHTKSSA-N 2 2 182.311 1.598 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C1CCC1 306148351 168362282 /nfs/dbraw/zinc/36/22/82/168362282.db2.gz BADCVWFTQYVDSO-MWLCHTKSSA-N 2 2 182.311 1.598 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(C)(C)C 108297376 168362375 /nfs/dbraw/zinc/36/23/75/168362375.db2.gz UKULXQNPBZMUKP-NXEZZACHSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C(C)(C)C 108297376 168362376 /nfs/dbraw/zinc/36/23/76/168362376.db2.gz UKULXQNPBZMUKP-NXEZZACHSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(F)c1 20293316 168362559 /nfs/dbraw/zinc/36/25/59/168362559.db2.gz PBPMSSWLPNZXIH-SECBINFHSA-N 2 2 196.269 1.605 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(F)c1 20293316 168362561 /nfs/dbraw/zinc/36/25/61/168362561.db2.gz PBPMSSWLPNZXIH-SECBINFHSA-N 2 2 196.269 1.605 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H](C)C1 334966855 168363066 /nfs/dbraw/zinc/36/30/66/168363066.db2.gz IIEJGZKPDDLIRD-NXEZZACHSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H](C)C1 334966855 168363068 /nfs/dbraw/zinc/36/30/68/168363068.db2.gz IIEJGZKPDDLIRD-NXEZZACHSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccsc1 35719396 168363199 /nfs/dbraw/zinc/36/31/99/168363199.db2.gz IHWJUZQDBBPVFO-MRVPVSSYSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccsc1 35719396 168363201 /nfs/dbraw/zinc/36/32/01/168363201.db2.gz IHWJUZQDBBPVFO-MRVPVSSYSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C(C)(C)C 251132028 168363232 /nfs/dbraw/zinc/36/32/32/168363232.db2.gz UKULXQNPBZMUKP-ZJUUUORDSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C(C)(C)C 251132028 168363234 /nfs/dbraw/zinc/36/32/34/168363234.db2.gz UKULXQNPBZMUKP-ZJUUUORDSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(F)cc1 42436990 168363398 /nfs/dbraw/zinc/36/33/98/168363398.db2.gz PXSWVHUPSXPSQQ-SECBINFHSA-N 2 2 196.269 1.605 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(F)cc1 42436990 168363399 /nfs/dbraw/zinc/36/33/99/168363399.db2.gz PXSWVHUPSXPSQQ-SECBINFHSA-N 2 2 196.269 1.605 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C1CCCC1 45073106 168363559 /nfs/dbraw/zinc/36/35/59/168363559.db2.gz XOIMGFMWBZQNLS-ZYHUDNBSSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C1CCCC1 45073106 168363562 /nfs/dbraw/zinc/36/35/62/168363562.db2.gz XOIMGFMWBZQNLS-ZYHUDNBSSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccco1 38040855 168379745 /nfs/dbraw/zinc/37/97/45/168379745.db2.gz PJINGDZPPXVJIB-SECBINFHSA-N 2 2 194.278 1.682 20 0 ADADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1 37712355 168380301 /nfs/dbraw/zinc/38/03/01/168380301.db2.gz QNTISBBXQKARAK-MRVPVSSYSA-N 2 2 198.697 1.949 20 0 ADADLP C[C@@H]([NH2+]CC[NH3+])c1cccc(F)c1 37712560 168380352 /nfs/dbraw/zinc/38/03/52/168380352.db2.gz CDRYNHDNGYTXFZ-MRVPVSSYSA-N 2 2 182.242 1.435 20 0 ADADLP C[C@@H]([NH2+]CC[NH3+])c1cccs1 37712385 168380584 /nfs/dbraw/zinc/38/05/84/168380584.db2.gz NMXCOILTJLZIKZ-SSDOTTSWSA-N 2 2 170.281 1.357 20 0 ADADLP C[C@@H]([NH2+]CC[NH3+])c1cccc(O)c1 37712468 168380620 /nfs/dbraw/zinc/38/06/20/168380620.db2.gz MTZXJUJYJGYVSM-MRVPVSSYSA-N 2 2 180.251 1.002 20 0 ADADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccco1 19958602 168380662 /nfs/dbraw/zinc/38/06/62/168380662.db2.gz ZWDZGUFOKKSLCT-SNVBAGLBSA-N 2 2 196.294 1.882 20 0 ADADLP C[C@@H]([NH2+]CC[NH3+])c1ccsc1 34204854 168380697 /nfs/dbraw/zinc/38/06/97/168380697.db2.gz UIDPXAHSHVOTGF-SSDOTTSWSA-N 2 2 170.281 1.357 20 0 ADADLP C[C@@H]([NH2+]CC[NH+](C)C)c1ccccc1 22142060 168380786 /nfs/dbraw/zinc/38/07/86/168380786.db2.gz UUGWRWPEHPOCER-LLVKDONJSA-N 2 2 192.306 1.899 20 0 ADADLP C[C@@H]([NH2+]CC[NH3+])c1ccccc1Cl 37712357 168381349 /nfs/dbraw/zinc/38/13/49/168381349.db2.gz VECUUAHABZHNOH-MRVPVSSYSA-N 2 2 198.697 1.949 20 0 ADADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CC1 20126851 168381457 /nfs/dbraw/zinc/38/14/57/168381457.db2.gz PXTYYAXSTFAEOO-SNVBAGLBSA-N 2 2 182.311 1.470 20 0 ADADLP C[C@@H]([NH2+]CC[NH3+])c1cccc(Cl)c1 37712549 168381513 /nfs/dbraw/zinc/38/15/13/168381513.db2.gz ZZTQUKNCPCYLMB-MRVPVSSYSA-N 2 2 198.697 1.949 20 0 ADADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(F)cc1 19732683 168381543 /nfs/dbraw/zinc/38/15/43/168381543.db2.gz KTQRNHBHLYKGOE-MRVPVSSYSA-N 2 2 182.242 1.435 20 0 ADADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 41042087 168381661 /nfs/dbraw/zinc/38/16/61/168381661.db2.gz GISRLFRIBQVFJK-SECBINFHSA-N 2 2 179.267 1.271 20 0 ADADLP C[C@@H]([NH2+]CC[NH3+])c1ccccc1F 37712392 168381725 /nfs/dbraw/zinc/38/17/25/168381725.db2.gz YFNNBWHUTUUUPQ-MRVPVSSYSA-N 2 2 182.242 1.435 20 0 ADADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 20506268 168381967 /nfs/dbraw/zinc/38/19/67/168381967.db2.gz CVLHUSIINZQPTK-SNVBAGLBSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CC1 54764073 168383682 /nfs/dbraw/zinc/38/36/82/168383682.db2.gz WMISYPRQULUFDR-SSDOTTSWSA-N 2 2 165.240 1.298 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccs1 86725542 168385477 /nfs/dbraw/zinc/38/54/77/168385477.db2.gz XGQQXWFZGNZIJP-RKDXNWHRSA-N 2 2 196.319 1.761 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 44684342 168385563 /nfs/dbraw/zinc/38/55/63/168385563.db2.gz QRMKPPBDRSHWMM-MWLCHTKSSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CC1 44684342 168385564 /nfs/dbraw/zinc/38/55/64/168385564.db2.gz QRMKPPBDRSHWMM-MWLCHTKSSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C1)C1CCCC1 54081117 168385654 /nfs/dbraw/zinc/38/56/54/168385654.db2.gz SVHTUJMODAJNOG-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C1)C1CCCC1 54081117 168385657 /nfs/dbraw/zinc/38/56/57/168385657.db2.gz SVHTUJMODAJNOG-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccs1 86725547 168386122 /nfs/dbraw/zinc/38/61/22/168386122.db2.gz XGQQXWFZGNZIJP-BDAKNGLRSA-N 2 2 196.319 1.761 20 0 ADADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CC1 44684346 168386329 /nfs/dbraw/zinc/38/63/29/168386329.db2.gz QRMKPPBDRSHWMM-KOLCDFICSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CC1 44684346 168386331 /nfs/dbraw/zinc/38/63/31/168386331.db2.gz QRMKPPBDRSHWMM-KOLCDFICSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C1)C1CCCC1 54081121 168386470 /nfs/dbraw/zinc/38/64/70/168386470.db2.gz SVHTUJMODAJNOG-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C1)C1CCCC1 54081121 168386471 /nfs/dbraw/zinc/38/64/71/168386471.db2.gz SVHTUJMODAJNOG-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H](CC[NH+](C)C)Nc1cccc[nH+]1 49558538 168524628 /nfs/dbraw/zinc/52/46/28/168524628.db2.gz IBTXIXUOGYISTO-SNVBAGLBSA-N 2 2 193.294 1.834 20 0 ADADLP C[C@H](C[NH2+]C1CCCCC1)[NH+](C)C 38088400 168533434 /nfs/dbraw/zinc/53/34/34/168533434.db2.gz KAXMIBNAAGSBLE-SNVBAGLBSA-N 2 2 184.327 1.859 20 0 ADADLP C[C@H](C[NH2+]C1CCCC1)[NH+](C)C 38088981 168533995 /nfs/dbraw/zinc/53/39/95/168533995.db2.gz BIRNASLMTLPCTL-SECBINFHSA-N 2 2 170.300 1.469 20 0 ADADLP C[C@H]1CCC[C@H]([NH2+]CC[NH+](C)C)C1 21967070 168613217 /nfs/dbraw/zinc/61/32/17/168613217.db2.gz WUCKJDZWEHIEPL-QWRGUYRKSA-N 2 2 184.327 1.716 20 0 ADADLP Cc1cc(NC(=O)CCC[NH3+])cc[nH+]1 11755472 168770629 /nfs/dbraw/zinc/77/06/29/168770629.db2.gz VTELISPIEBIASH-UHFFFAOYSA-N 2 2 193.250 1.067 20 0 ADADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)s1 50225581 168815098 /nfs/dbraw/zinc/81/50/98/168815098.db2.gz MBCRHRKHGADMRM-SECBINFHSA-N 2 2 196.319 1.590 20 0 ADADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)s1 50225581 168815099 /nfs/dbraw/zinc/81/50/99/168815099.db2.gz MBCRHRKHGADMRM-SECBINFHSA-N 2 2 196.319 1.590 20 0 ADADLP Cc1ccc(Cl)c([C@H]([NH3+])C[NH3+])c1 72200249 168817723 /nfs/dbraw/zinc/81/77/23/168817723.db2.gz KIFQPPCWISPYHH-SECBINFHSA-N 2 2 184.670 1.607 20 0 ADADLP Cc1c[nH+]cc(C2CC[NH2+]CC2)c1 82874012 168909719 /nfs/dbraw/zinc/90/97/19/168909719.db2.gz NRALKTSCMNAXHZ-UHFFFAOYSA-N 2 2 176.263 1.857 20 0 ADADLP Cl/C=C/C[N@@H+]1CCC[NH2+]CC1 19518214 169016880 /nfs/dbraw/zinc/01/68/80/169016880.db2.gz JURIOQMHHBLVSZ-HNQUOIGGSA-N 2 2 174.675 1.034 20 0 ADADLP Cl/C=C/C[N@H+]1CCC[NH2+]CC1 19518214 169016882 /nfs/dbraw/zinc/01/68/82/169016882.db2.gz JURIOQMHHBLVSZ-HNQUOIGGSA-N 2 2 174.675 1.034 20 0 ADADLP Cn1c[nH+]cc1CNc1cccc[nH+]1 306671425 169057751 /nfs/dbraw/zinc/05/77/51/169057751.db2.gz YUZYSQFRQUGDRK-UHFFFAOYSA-N 2 2 188.234 1.427 20 0 ADADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](F)C1 334646778 169057772 /nfs/dbraw/zinc/05/77/72/169057772.db2.gz NFJLHMCABHMPFC-VIFPVBQESA-N 2 2 197.257 1.006 20 0 ADADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](F)C1 334646778 169057774 /nfs/dbraw/zinc/05/77/74/169057774.db2.gz NFJLHMCABHMPFC-VIFPVBQESA-N 2 2 197.257 1.006 20 0 ADADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](F)C1 334646776 169057821 /nfs/dbraw/zinc/05/78/21/169057821.db2.gz NFJLHMCABHMPFC-SECBINFHSA-N 2 2 197.257 1.006 20 0 ADADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](F)C1 334646776 169057823 /nfs/dbraw/zinc/05/78/23/169057823.db2.gz NFJLHMCABHMPFC-SECBINFHSA-N 2 2 197.257 1.006 20 0 ADADLP FC(F)(F)CC[N@@H+]1CCC[NH2+]CC1 63101175 169071826 /nfs/dbraw/zinc/07/18/26/169071826.db2.gz VVYPMJAYCJGWBK-UHFFFAOYSA-N 2 2 196.216 1.234 20 0 ADADLP FC(F)(F)CC[N@H+]1CCC[NH2+]CC1 63101175 169071828 /nfs/dbraw/zinc/07/18/28/169071828.db2.gz VVYPMJAYCJGWBK-UHFFFAOYSA-N 2 2 196.216 1.234 20 0 ADADLP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccncc1 36128724 169186947 /nfs/dbraw/zinc/18/69/47/169186947.db2.gz PIBAVJWYUPQONK-LLVKDONJSA-N 2 2 191.278 1.177 20 0 ADADLP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccncc1 36128724 169186949 /nfs/dbraw/zinc/18/69/49/169186949.db2.gz PIBAVJWYUPQONK-LLVKDONJSA-N 2 2 191.278 1.177 20 0 ADADLP [NH3+]CC[N@@H+]1CCCc2ccccc2C1 38523602 169187020 /nfs/dbraw/zinc/18/70/20/169187020.db2.gz ACWUXVPGZZJBSE-UHFFFAOYSA-N 2 2 190.290 1.394 20 0 ADADLP [NH3+]CC[N@H+]1CCCc2ccccc2C1 38523602 169187022 /nfs/dbraw/zinc/18/70/22/169187022.db2.gz ACWUXVPGZZJBSE-UHFFFAOYSA-N 2 2 190.290 1.394 20 0 ADADLP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccnc1 34492679 169187237 /nfs/dbraw/zinc/18/72/37/169187237.db2.gz YNVSUSJZHPDGLY-NSHDSACASA-N 2 2 191.278 1.177 20 0 ADADLP [NH3+]CC[N@H+]1CCC[C@H]1c1cccnc1 34492679 169187238 /nfs/dbraw/zinc/18/72/38/169187238.db2.gz YNVSUSJZHPDGLY-NSHDSACASA-N 2 2 191.278 1.177 20 0 ADADLP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccncc1 36128723 169187491 /nfs/dbraw/zinc/18/74/91/169187491.db2.gz PIBAVJWYUPQONK-NSHDSACASA-N 2 2 191.278 1.177 20 0 ADADLP [NH3+]CC[N@H+]1CCC[C@H]1c1ccncc1 36128723 169187492 /nfs/dbraw/zinc/18/74/92/169187492.db2.gz PIBAVJWYUPQONK-NSHDSACASA-N 2 2 191.278 1.177 20 0 ADADLP [NH3+]CC[N@H+](Cc1cccs1)C1CC1 32009415 169187533 /nfs/dbraw/zinc/18/75/33/169187533.db2.gz BVVLKPJRRCIJAA-UHFFFAOYSA-N 2 2 196.319 1.671 20 0 ADADLP [NH3+]CC[N@@H+](Cc1cccs1)C1CC1 32009415 169187535 /nfs/dbraw/zinc/18/75/35/169187535.db2.gz BVVLKPJRRCIJAA-UHFFFAOYSA-N 2 2 196.319 1.671 20 0 ADADLP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cccnc1 34492680 169187645 /nfs/dbraw/zinc/18/76/45/169187645.db2.gz YNVSUSJZHPDGLY-LLVKDONJSA-N 2 2 191.278 1.177 20 0 ADADLP [NH3+]CC[N@H+]1CCC[C@@H]1c1cccnc1 34492680 169187646 /nfs/dbraw/zinc/18/76/46/169187646.db2.gz YNVSUSJZHPDGLY-LLVKDONJSA-N 2 2 191.278 1.177 20 0 ADADLP [NH3+]CC[N@@H+]1CCc2ccsc2C1 334966845 169189016 /nfs/dbraw/zinc/18/90/16/169189016.db2.gz IFPAWORKRPWHPE-UHFFFAOYSA-N 2 2 182.292 1.065 20 0 ADADLP [NH3+]CC[N@H+]1CCc2ccsc2C1 334966845 169189017 /nfs/dbraw/zinc/18/90/17/169189017.db2.gz IFPAWORKRPWHPE-UHFFFAOYSA-N 2 2 182.292 1.065 20 0 ADADLP [NH3+]CC[NH2+]Cc1cccc(F)c1F 50523303 169190307 /nfs/dbraw/zinc/19/03/07/169190307.db2.gz IFXAOQAVGGORBL-UHFFFAOYSA-N 2 2 186.205 1.013 20 0 ADADLP [NH3+]CC[NH2+][C@@H]1CCc2c(F)cccc21 214664341 169190317 /nfs/dbraw/zinc/19/03/17/169190317.db2.gz PGWAZBNPKADUDN-LLVKDONJSA-N 2 2 194.253 1.361 20 0 ADADLP [NH3+]CC[NH2+][C@@H]1CCCc2sccc21 61328161 169190508 /nfs/dbraw/zinc/19/05/08/169190508.db2.gz PHLYBGLQISBONX-SECBINFHSA-N 2 2 196.319 1.674 20 0 ADADLP [NH3+]CC[NH2+][C@@H]1CCc2cc(F)ccc21 124025206 169190529 /nfs/dbraw/zinc/19/05/29/169190529.db2.gz LVKUBZUDDZROQF-LLVKDONJSA-N 2 2 194.253 1.361 20 0 ADADLP [NH3+]CC[NH2+][C@H]1CCc2c(F)cccc21 214664287 169190726 /nfs/dbraw/zinc/19/07/26/169190726.db2.gz PGWAZBNPKADUDN-NSHDSACASA-N 2 2 194.253 1.361 20 0 ADADLP [NH3+]CC[NH2+][C@H]1CCCc2sccc21 61328163 169190808 /nfs/dbraw/zinc/19/08/08/169190808.db2.gz PHLYBGLQISBONX-VIFPVBQESA-N 2 2 196.319 1.674 20 0 ADADLP [NH3+]CC[NH2+][C@@H]1CCc2ccc(F)cc21 335565081 169190882 /nfs/dbraw/zinc/19/08/82/169190882.db2.gz NEULYYKHQPKKJE-LLVKDONJSA-N 2 2 194.253 1.361 20 0 ADADLP [NH3+]CC[NH2+][C@H]1CCCc2occc21 123978872 169190958 /nfs/dbraw/zinc/19/09/58/169190958.db2.gz KIEHBNBRDIBDHY-VIFPVBQESA-N 2 2 180.251 1.205 20 0 ADADLP [NH3+]CC[NH2+][C@H]1CCc2cc(F)ccc21 124024979 169191177 /nfs/dbraw/zinc/19/11/77/169191177.db2.gz LVKUBZUDDZROQF-NSHDSACASA-N 2 2 194.253 1.361 20 0 ADADLP [NH3+]CC[NH2+][C@@H]1CCCc2occc21 123978648 169191252 /nfs/dbraw/zinc/19/12/52/169191252.db2.gz KIEHBNBRDIBDHY-SECBINFHSA-N 2 2 180.251 1.205 20 0 ADADLP [NH3+]CC[NH2+][C@H]1CCc2ccc(F)cc21 335565082 169191412 /nfs/dbraw/zinc/19/14/12/169191412.db2.gz NEULYYKHQPKKJE-NSHDSACASA-N 2 2 194.253 1.361 20 0 ADADLP [NH3+]CCOc1cc[nH+]c2ccccc12 51870361 169191605 /nfs/dbraw/zinc/19/16/05/169191605.db2.gz JRZOYAXWBRZCNZ-UHFFFAOYSA-N 2 2 188.230 1.572 20 0 ADADLP [NH3+]C[C@@H]([NH3+])c1cc(F)cc(Cl)c1 72200329 169202473 /nfs/dbraw/zinc/20/24/73/169202473.db2.gz RXQCHPTXFTYUIZ-MRVPVSSYSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@@H]([NH3+])c1cc(Cl)ccc1F 72200335 169202524 /nfs/dbraw/zinc/20/25/24/169202524.db2.gz FDGXDKTWIWJREK-MRVPVSSYSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@@H]([NH3+])c1cc(F)c(F)cc1F 72200341 169202875 /nfs/dbraw/zinc/20/28/75/169202875.db2.gz JABXHLFVWSFRKY-MRVPVSSYSA-N 2 2 190.168 1.062 20 0 ADADLP [NH3+]C[C@@H]([NH3+])c1cccc(Cl)c1F 72200327 169202908 /nfs/dbraw/zinc/20/29/08/169202908.db2.gz NMVRCSZPWAPRAY-SSDOTTSWSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@@H]([NH3+])c1ccc(F)cc1Cl 72200331 169203584 /nfs/dbraw/zinc/20/35/84/169203584.db2.gz SLFSQUZBFDAMPF-MRVPVSSYSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@@H]([NH3+])c1ccc(Cl)cc1F 72200325 169203735 /nfs/dbraw/zinc/20/37/35/169203735.db2.gz VKAXPRBLNWSZTR-MRVPVSSYSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@@H]([NH3+])c1cccc(F)c1Cl 72200337 169203807 /nfs/dbraw/zinc/20/38/07/169203807.db2.gz MDRSNVUIBDECBJ-SSDOTTSWSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@@H]([NH3+])c1ccc(F)c(F)c1F 72200345 169204052 /nfs/dbraw/zinc/20/40/52/169204052.db2.gz TVDNQPLEOCZLRY-ZCFIWIBFSA-N 2 2 190.168 1.062 20 0 ADADLP [NH3+]C[C@H]([NH3+])c1ccc(F)c(F)c1F 72200346 169212257 /nfs/dbraw/zinc/21/22/57/169212257.db2.gz TVDNQPLEOCZLRY-LURJTMIESA-N 2 2 190.168 1.062 20 0 ADADLP [NH3+]C[C@H]([NH3+])c1cccc(F)c1Cl 72200338 169212299 /nfs/dbraw/zinc/21/22/99/169212299.db2.gz MDRSNVUIBDECBJ-ZETCQYMHSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@H]([NH3+])c1ccc(Cl)cc1F 72200326 169212568 /nfs/dbraw/zinc/21/25/68/169212568.db2.gz VKAXPRBLNWSZTR-QMMMGPOBSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@H]([NH3+])c1cc(F)cc(Cl)c1 72200330 169212769 /nfs/dbraw/zinc/21/27/69/169212769.db2.gz RXQCHPTXFTYUIZ-QMMMGPOBSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@H]([NH3+])c1cccc(Cl)c1F 72200328 169213037 /nfs/dbraw/zinc/21/30/37/169213037.db2.gz NMVRCSZPWAPRAY-ZETCQYMHSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@H]([NH3+])c1cc(F)c(F)cc1F 72200342 169213060 /nfs/dbraw/zinc/21/30/60/169213060.db2.gz JABXHLFVWSFRKY-QMMMGPOBSA-N 2 2 190.168 1.062 20 0 ADADLP [NH3+]C[C@H]([NH3+])c1ccc(F)cc1Cl 72200332 169213163 /nfs/dbraw/zinc/21/31/63/169213163.db2.gz SLFSQUZBFDAMPF-QMMMGPOBSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@H]([NH3+])c1cc(Cl)ccc1F 72200336 169213248 /nfs/dbraw/zinc/21/32/48/169213248.db2.gz FDGXDKTWIWJREK-QMMMGPOBSA-N 2 2 188.633 1.438 20 0 ADADLP [NH3+]C[C@H]1CCC[N@@H+]1C/C=C/Cl 82634129 169214740 /nfs/dbraw/zinc/21/47/40/169214740.db2.gz YDOHMXYTASHMBR-BYDTYLDUSA-N 2 2 174.675 1.162 20 0 ADADLP [NH3+]C[C@H]1CCC[N@H+]1C/C=C/Cl 82634129 169214741 /nfs/dbraw/zinc/21/47/41/169214741.db2.gz YDOHMXYTASHMBR-BYDTYLDUSA-N 2 2 174.675 1.162 20 0 ADADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccnc1 95072847 169214866 /nfs/dbraw/zinc/21/48/66/169214866.db2.gz XFPOFKZOOMTEOC-LLVKDONJSA-N 2 2 191.278 1.005 20 0 ADADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccnc1 95072847 169214867 /nfs/dbraw/zinc/21/48/67/169214867.db2.gz XFPOFKZOOMTEOC-LLVKDONJSA-N 2 2 191.278 1.005 20 0 ADADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccncc1 95072849 169215479 /nfs/dbraw/zinc/21/54/79/169215479.db2.gz SEYWCCXUFCWIMP-LLVKDONJSA-N 2 2 191.278 1.005 20 0 ADADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccncc1 95072849 169215480 /nfs/dbraw/zinc/21/54/80/169215480.db2.gz SEYWCCXUFCWIMP-LLVKDONJSA-N 2 2 191.278 1.005 20 0 ADADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCF 335498820 169251538 /nfs/dbraw/zinc/25/15/38/169251538.db2.gz WUXHCJTULSDAGT-RKDXNWHRSA-N 2 2 174.263 1.206 20 0 ADADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccsc2)C1 41027616 169251546 /nfs/dbraw/zinc/25/15/46/169251546.db2.gz YUFKCNYFHBKOGA-SNVBAGLBSA-N 2 2 196.319 1.671 20 0 ADADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccsc2)C1 41027616 169251547 /nfs/dbraw/zinc/25/15/47/169251547.db2.gz YUFKCNYFHBKOGA-SNVBAGLBSA-N 2 2 196.319 1.671 20 0 ADADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccno1 335279636 169251587 /nfs/dbraw/zinc/25/15/87/169251587.db2.gz JENKAFCLAXACAU-NXEZZACHSA-N 2 2 195.266 1.034 20 0 ADADLP [NH3+][C@@H]1CCC[NH2+][C@H]1c1cccs1 58520102 169251997 /nfs/dbraw/zinc/25/19/97/169251997.db2.gz RDIMCDMSCHXMSM-VXNVDRBHSA-N 2 2 182.292 1.500 20 0 ADADLP [NH3+][C@@H]1CCC[NH2+][C@@H]1c1cccs1 58520100 169252078 /nfs/dbraw/zinc/25/20/78/169252078.db2.gz RDIMCDMSCHXMSM-APPZFPTMSA-N 2 2 182.292 1.500 20 0 ADADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCF 335498817 169252085 /nfs/dbraw/zinc/25/20/85/169252085.db2.gz WUXHCJTULSDAGT-BDAKNGLRSA-N 2 2 174.263 1.206 20 0 ADADLP [NH3+][C@@H]1CC[N@H+](Cc2cccs2)C1 37483608 169253907 /nfs/dbraw/zinc/25/39/07/169253907.db2.gz GMXRYOASLQUMPP-MRVPVSSYSA-N 2 2 182.292 1.281 20 0 ADADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccs2)C1 37483608 169253909 /nfs/dbraw/zinc/25/39/09/169253909.db2.gz GMXRYOASLQUMPP-MRVPVSSYSA-N 2 2 182.292 1.281 20 0 ADADLP [NH3+][C@@H]1CC[N@H+](CCc2cccs2)C1 37483469 169255060 /nfs/dbraw/zinc/25/50/60/169255060.db2.gz ABVBUKLZRFUILL-SECBINFHSA-N 2 2 196.319 1.324 20 0 ADADLP [NH3+][C@@H]1CC[N@@H+](CCc2cccs2)C1 37483469 169255061 /nfs/dbraw/zinc/25/50/61/169255061.db2.gz ABVBUKLZRFUILL-SECBINFHSA-N 2 2 196.319 1.324 20 0 ADADLP [NH3+][C@@H]1C[C@H]([NH2+]CCF)c2ccccc21 306768524 169258029 /nfs/dbraw/zinc/25/80/29/169258029.db2.gz DRSZDORTIDYDMB-MNOVXSKESA-N 2 2 194.253 1.690 20 0 ADADLP [NH3+][C@@H]1C[C@@H]([NH2+]CCF)c2ccccc21 306768523 169258805 /nfs/dbraw/zinc/25/88/05/169258805.db2.gz DRSZDORTIDYDMB-GHMZBOCLSA-N 2 2 194.253 1.690 20 0 ADADLP [NH3+][C@H]1CCC[NH2+][C@@H]1c1cccs1 58520105 169272050 /nfs/dbraw/zinc/27/20/50/169272050.db2.gz RDIMCDMSCHXMSM-CBAPKCEASA-N 2 2 182.292 1.500 20 0 ADADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCF 335498819 169272619 /nfs/dbraw/zinc/27/26/19/169272619.db2.gz WUXHCJTULSDAGT-IUCAKERBSA-N 2 2 174.263 1.206 20 0 ADADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCF 335498818 169272708 /nfs/dbraw/zinc/27/27/08/169272708.db2.gz WUXHCJTULSDAGT-DTWKUNHWSA-N 2 2 174.263 1.206 20 0 ADADLP [NH3+][C@H]1CCC[N@H+](Cc2ccsc2)C1 41027615 169272733 /nfs/dbraw/zinc/27/27/33/169272733.db2.gz YUFKCNYFHBKOGA-JTQLQIEISA-N 2 2 196.319 1.671 20 0 ADADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccsc2)C1 41027615 169272735 /nfs/dbraw/zinc/27/27/35/169272735.db2.gz YUFKCNYFHBKOGA-JTQLQIEISA-N 2 2 196.319 1.671 20 0 ADADLP [NH3+][C@H]1CCC[NH2+][C@H]1c1cccs1 58520110 169273355 /nfs/dbraw/zinc/27/33/55/169273355.db2.gz RDIMCDMSCHXMSM-IONNQARKSA-N 2 2 182.292 1.500 20 0 ADADLP [NH3+][C@H]1CC[N@H+](CCc2cccs2)C1 37483468 169274922 /nfs/dbraw/zinc/27/49/22/169274922.db2.gz ABVBUKLZRFUILL-VIFPVBQESA-N 2 2 196.319 1.324 20 0 ADADLP [NH3+][C@H]1CC[N@@H+](CCc2cccs2)C1 37483468 169274923 /nfs/dbraw/zinc/27/49/23/169274923.db2.gz ABVBUKLZRFUILL-VIFPVBQESA-N 2 2 196.319 1.324 20 0 ADADLP [NH3+][C@H]1CC[N@H+](Cc2cccs2)C1 37483607 169275364 /nfs/dbraw/zinc/27/53/64/169275364.db2.gz GMXRYOASLQUMPP-QMMMGPOBSA-N 2 2 182.292 1.281 20 0 ADADLP [NH3+][C@H]1CC[N@@H+](Cc2cccs2)C1 37483607 169275365 /nfs/dbraw/zinc/27/53/65/169275365.db2.gz GMXRYOASLQUMPP-QMMMGPOBSA-N 2 2 182.292 1.281 20 0 ADADLP [NH3+][C@H]1C[C@H]([NH2+]CCF)c2ccccc21 306768525 169278404 /nfs/dbraw/zinc/27/84/04/169278404.db2.gz DRSZDORTIDYDMB-QWRGUYRKSA-N 2 2 194.253 1.690 20 0 ADADLP [NH3+][C@H]1C[C@@H]([NH2+]CCF)c2ccccc21 306768526 169278673 /nfs/dbraw/zinc/27/86/73/169278673.db2.gz DRSZDORTIDYDMB-WDEREUQCSA-N 2 2 194.253 1.690 20 0 ADADLP c1cc(C[NH2+][C@@H]2CCC[NH2+]C2)cs1 63152568 169471048 /nfs/dbraw/zinc/47/10/48/169471048.db2.gz SKYIENPZJRIYTH-SNVBAGLBSA-N 2 2 196.319 1.590 20 0 ADADLP c1cn(CCC[NH2+]C2CCCC2)c[nH+]1 34937280 169481776 /nfs/dbraw/zinc/48/17/76/169481776.db2.gz ZSAGCCLDYYWYDM-UHFFFAOYSA-N 2 2 193.294 1.805 20 0 ADADLP Cc1ccccc1C[N@@H+](C)[C@@H](C)C[NH3+] 20226742 171037628 /nfs/dbraw/zinc/03/76/28/171037628.db2.gz UCTYPIPIIXLCAR-NSHDSACASA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccccc1C[N@H+](C)[C@@H](C)C[NH3+] 20226742 171037630 /nfs/dbraw/zinc/03/76/30/171037630.db2.gz UCTYPIPIIXLCAR-NSHDSACASA-N 2 2 192.306 1.774 20 0 ADADLP C[NH+]1CCC(Nc2cccc[nH+]2)CC1 37248230 171063385 /nfs/dbraw/zinc/06/33/85/171063385.db2.gz YJMATINPVPTJAV-UHFFFAOYSA-N 2 2 191.278 1.588 20 0 ADADLP Cc1ccccc1CC[N@H+](C)CC[NH3+] 77277388 171068415 /nfs/dbraw/zinc/06/84/15/171068415.db2.gz IFILBSVQRXIMMZ-UHFFFAOYSA-N 2 2 192.306 1.428 20 0 ADADLP Cc1ccccc1CC[N@@H+](C)CC[NH3+] 77277388 171068418 /nfs/dbraw/zinc/06/84/18/171068418.db2.gz IFILBSVQRXIMMZ-UHFFFAOYSA-N 2 2 192.306 1.428 20 0 ADADLP [NH3+]C1CC[NH+](Cc2ccoc2)CC1 63048064 171103746 /nfs/dbraw/zinc/10/37/46/171103746.db2.gz MMHWXHGXQNBQIR-UHFFFAOYSA-N 2 2 180.251 1.203 20 0 ADADLP C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 95627273 171136604 /nfs/dbraw/zinc/13/66/04/171136604.db2.gz UOMVDGQVXYJATJ-UHFFFAOYSA-N 2 2 165.240 1.219 20 0 ADADLP Cc1ccccc1C[N@@H+](C)C[C@H](C)[NH3+] 44382670 171152094 /nfs/dbraw/zinc/15/20/94/171152094.db2.gz LJWYTUZXWXCMJG-NSHDSACASA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccccc1C[N@H+](C)C[C@H](C)[NH3+] 44382670 171152096 /nfs/dbraw/zinc/15/20/96/171152096.db2.gz LJWYTUZXWXCMJG-NSHDSACASA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccccc1C[N@@H+](C)C[C@@H](C)[NH3+] 44382666 171152128 /nfs/dbraw/zinc/15/21/28/171152128.db2.gz LJWYTUZXWXCMJG-LLVKDONJSA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccccc1C[N@H+](C)C[C@@H](C)[NH3+] 44382666 171152129 /nfs/dbraw/zinc/15/21/29/171152129.db2.gz LJWYTUZXWXCMJG-LLVKDONJSA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccccc1C[N@@H+](C)[C@H](C)C[NH3+] 20226743 171169427 /nfs/dbraw/zinc/16/94/27/171169427.db2.gz UCTYPIPIIXLCAR-LLVKDONJSA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccccc1C[N@H+](C)[C@H](C)C[NH3+] 20226743 171169428 /nfs/dbraw/zinc/16/94/28/171169428.db2.gz UCTYPIPIIXLCAR-LLVKDONJSA-N 2 2 192.306 1.774 20 0 ADADLP Cc1ccccc1[C@@H]1C[N@H+](C)C[C@@H]1[NH3+] 82390265 171169619 /nfs/dbraw/zinc/16/96/19/171169619.db2.gz ZLMVARYAQIXKNP-RYUDHWBXSA-N 2 2 190.290 1.351 20 0 ADADLP Cc1ccccc1[C@@H]1C[N@@H+](C)C[C@@H]1[NH3+] 82390265 171169621 /nfs/dbraw/zinc/16/96/21/171169621.db2.gz ZLMVARYAQIXKNP-RYUDHWBXSA-N 2 2 190.290 1.351 20 0 ADADLP C[C@H]1CC[C@@H](C)[N@@H+]1CCn1cc[nH+]c1 334783323 171201055 /nfs/dbraw/zinc/20/10/55/171201055.db2.gz HFPYOEIYBCTJOJ-PHIMTYICSA-N 2 2 193.294 1.756 20 0 ADADLP C[C@H]1CC[C@@H](C)[N@H+]1CCn1cc[nH+]c1 334783323 171201057 /nfs/dbraw/zinc/20/10/57/171201057.db2.gz HFPYOEIYBCTJOJ-PHIMTYICSA-N 2 2 193.294 1.756 20 0 ADADLP Cc1cc[nH+]c(N2CC([NH+](C)C)C2)c1 334760888 171201076 /nfs/dbraw/zinc/20/10/76/171201076.db2.gz SYZKLIJDDSQWRZ-UHFFFAOYSA-N 2 2 191.278 1.140 20 0 ADADLP c1cc(C[N@@H+]2CCC[NH2+]CC2)cs1 36818590 171216566 /nfs/dbraw/zinc/21/65/66/171216566.db2.gz ASRHMRQOZWMJGW-UHFFFAOYSA-N 2 2 196.319 1.543 20 0 ADADLP c1cc(C[N@H+]2CCC[NH2+]CC2)cs1 36818590 171216568 /nfs/dbraw/zinc/21/65/68/171216568.db2.gz ASRHMRQOZWMJGW-UHFFFAOYSA-N 2 2 196.319 1.543 20 0 ADADLP F[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 79034335 171220307 /nfs/dbraw/zinc/22/03/07/171220307.db2.gz XKWSIRXMKQCDAI-VIFPVBQESA-N 2 2 186.274 1.172 20 0 ADADLP F[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 79034335 171220309 /nfs/dbraw/zinc/22/03/09/171220309.db2.gz XKWSIRXMKQCDAI-VIFPVBQESA-N 2 2 186.274 1.172 20 0 ADADLP F[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 79034339 171220402 /nfs/dbraw/zinc/22/04/02/171220402.db2.gz XKWSIRXMKQCDAI-SECBINFHSA-N 2 2 186.274 1.172 20 0 ADADLP F[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 79034339 171220403 /nfs/dbraw/zinc/22/04/03/171220403.db2.gz XKWSIRXMKQCDAI-SECBINFHSA-N 2 2 186.274 1.172 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C)CC1 156541329 344090389 /nfs/dbraw/zinc/09/03/89/344090389.db2.gz RHWJOQBYOZRXMY-ZJUUUORDSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C)CC1 156541329 344090390 /nfs/dbraw/zinc/09/03/90/344090390.db2.gz RHWJOQBYOZRXMY-ZJUUUORDSA-N 2 2 170.300 1.456 20 0 ADADLP CC(C)[C@H]1CCC[N@H+]1C[C@H](C)[NH3+] 156544960 344091031 /nfs/dbraw/zinc/09/10/31/344091031.db2.gz ZYGKTKJULAGNEL-VHSXEESVSA-N 2 2 170.300 1.454 20 0 ADADLP CC(C)[C@H]1CCC[N@@H+]1C[C@H](C)[NH3+] 156544960 344091032 /nfs/dbraw/zinc/09/10/32/344091032.db2.gz ZYGKTKJULAGNEL-VHSXEESVSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](C)[NH3+] 156547505 344091052 /nfs/dbraw/zinc/09/10/52/344091052.db2.gz OOJGZTMJGJFZOH-LPEHRKFASA-N 2 2 170.300 1.597 20 0 ADADLP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](C)[NH3+] 156547505 344091053 /nfs/dbraw/zinc/09/10/53/344091053.db2.gz OOJGZTMJGJFZOH-LPEHRKFASA-N 2 2 170.300 1.597 20 0 ADADLP C[C@H]1C[C@@H]([NH2+]CCF)CC[N@@H+]1C 158181552 344120636 /nfs/dbraw/zinc/12/06/36/344120636.db2.gz MHZFSBOEDWASPV-IUCAKERBSA-N 2 2 174.263 1.028 20 0 ADADLP C[C@H]1C[C@@H]([NH2+]CCF)CC[N@H+]1C 158181552 344120637 /nfs/dbraw/zinc/12/06/37/344120637.db2.gz MHZFSBOEDWASPV-IUCAKERBSA-N 2 2 174.263 1.028 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C1CCCC1 158479902 344127500 /nfs/dbraw/zinc/12/75/00/344127500.db2.gz XOIMGFMWBZQNLS-PWSUYJOCSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C1CCCC1 158479902 344127501 /nfs/dbraw/zinc/12/75/01/344127501.db2.gz XOIMGFMWBZQNLS-PWSUYJOCSA-N 2 2 196.338 1.988 20 0 ADADLP CCSCC[N@H+](C)[C@@H]1CC[NH2+]C1 158573970 344129243 /nfs/dbraw/zinc/12/92/43/344129243.db2.gz WMMOLFIDQWJRGR-SECBINFHSA-N 2 2 188.340 1.033 20 0 ADADLP CCSCC[N@@H+](C)[C@@H]1CC[NH2+]C1 158573970 344129244 /nfs/dbraw/zinc/12/92/44/344129244.db2.gz WMMOLFIDQWJRGR-SECBINFHSA-N 2 2 188.340 1.033 20 0 ADADLP CCSCC[N@@H+]1CC[C@H]([NH2+]C)C1 158557595 344129253 /nfs/dbraw/zinc/12/92/53/344129253.db2.gz NBFMNSALXHXRSY-VIFPVBQESA-N 2 2 188.340 1.033 20 0 ADADLP CC1([NH2+]Cc2c[nH+]c[nH]2)CCOCC1 159320681 344142258 /nfs/dbraw/zinc/14/22/58/344142258.db2.gz OAAMGYFOYVHVBQ-UHFFFAOYSA-N 2 2 195.266 1.068 20 0 ADADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)C 163804730 344230230 /nfs/dbraw/zinc/23/02/30/344230230.db2.gz MFCOQEJKARDMMJ-SNVBAGLBSA-N 2 2 184.327 1.716 20 0 ADADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)C 163804730 344230231 /nfs/dbraw/zinc/23/02/31/344230231.db2.gz MFCOQEJKARDMMJ-SNVBAGLBSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@]1([NH2+]Cc2c[nH+]c[nH]2)CCCOC1 221348862 344442277 /nfs/dbraw/zinc/44/22/77/344442277.db2.gz VNPUIVAFSKMPPX-SNVBAGLBSA-N 2 2 195.266 1.068 20 0 ADADLP C[C@H]1C[C@H](C)C[NH+](C[C@H]2CCC[NH2+]2)C1 227648323 344541876 /nfs/dbraw/zinc/54/18/76/344541876.db2.gz UHKQOOCREVBMHN-SDDRHHMPSA-N 2 2 196.338 1.716 20 0 ADADLP C1=CCC(C[N@@H+]2CCC[NH2+]CC2)C1 238022594 344791676 /nfs/dbraw/zinc/79/16/76/344791676.db2.gz GRFWEQYZGZNIHT-UHFFFAOYSA-N 2 2 180.295 1.248 20 0 ADADLP C1=CCC(C[N@H+]2CCC[NH2+]CC2)C1 238022594 344791678 /nfs/dbraw/zinc/79/16/78/344791678.db2.gz GRFWEQYZGZNIHT-UHFFFAOYSA-N 2 2 180.295 1.248 20 0 ADADLP [NH3+][C@H]1CCC[N@H+](CC2CC=CC2)C1 238677283 344818597 /nfs/dbraw/zinc/81/85/97/344818597.db2.gz PCIXPVJWRGZODC-NSHDSACASA-N 2 2 180.295 1.376 20 0 ADADLP [NH3+][C@H]1CCC[N@@H+](CC2CC=CC2)C1 238677283 344818598 /nfs/dbraw/zinc/81/85/98/344818598.db2.gz PCIXPVJWRGZODC-NSHDSACASA-N 2 2 180.295 1.376 20 0 ADADLP [NH3+][C@@H]1CCC[N@H+](CC2CC=CC2)C1 238679333 344818610 /nfs/dbraw/zinc/81/86/10/344818610.db2.gz PCIXPVJWRGZODC-LLVKDONJSA-N 2 2 180.295 1.376 20 0 ADADLP [NH3+][C@@H]1CCC[N@@H+](CC2CC=CC2)C1 238679333 344818611 /nfs/dbraw/zinc/81/86/11/344818611.db2.gz PCIXPVJWRGZODC-LLVKDONJSA-N 2 2 180.295 1.376 20 0 ADADLP CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1cccs1 250215407 344830548 /nfs/dbraw/zinc/83/05/48/344830548.db2.gz DDDDDNPINLXNKL-SCZZXKLOSA-N 2 2 196.319 1.842 20 0 ADADLP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1c1cccs1 250215407 344830549 /nfs/dbraw/zinc/83/05/49/344830549.db2.gz DDDDDNPINLXNKL-SCZZXKLOSA-N 2 2 196.319 1.842 20 0 ADADLP CC[N@@H+]1CC[C@H]([NH3+])[C@H]1c1ccco1 250226960 344831091 /nfs/dbraw/zinc/83/10/91/344831091.db2.gz FPIHBFXUMDVSOM-WPRPVWTQSA-N 2 2 180.251 1.374 20 0 ADADLP CC[N@H+]1CC[C@H]([NH3+])[C@H]1c1ccco1 250226960 344831092 /nfs/dbraw/zinc/83/10/92/344831092.db2.gz FPIHBFXUMDVSOM-WPRPVWTQSA-N 2 2 180.251 1.374 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C(C)(C)C 251132026 344847575 /nfs/dbraw/zinc/84/75/75/344847575.db2.gz UKULXQNPBZMUKP-UWVGGRQHSA-N 2 2 184.327 1.844 20 0 ADADLP CCCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 252667833 344907830 /nfs/dbraw/zinc/90/78/30/344907830.db2.gz ORHXXKDYLJZLBV-LBPRGKRZSA-N 2 2 196.338 1.957 20 0 ADADLP CCCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 252667833 344907831 /nfs/dbraw/zinc/90/78/31/344907831.db2.gz ORHXXKDYLJZLBV-LBPRGKRZSA-N 2 2 196.338 1.957 20 0 ADADLP CCCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 252667833 344907832 /nfs/dbraw/zinc/90/78/32/344907832.db2.gz ORHXXKDYLJZLBV-LBPRGKRZSA-N 2 2 196.338 1.957 20 0 ADADLP CCCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 252667833 344907833 /nfs/dbraw/zinc/90/78/33/344907833.db2.gz ORHXXKDYLJZLBV-LBPRGKRZSA-N 2 2 196.338 1.957 20 0 ADADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 252744309 344911716 /nfs/dbraw/zinc/91/17/16/344911716.db2.gz NHDSOEIHXYGSEF-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C 252744309 344911717 /nfs/dbraw/zinc/91/17/17/344911717.db2.gz NHDSOEIHXYGSEF-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 252744311 344911729 /nfs/dbraw/zinc/91/17/29/344911729.db2.gz NHDSOEIHXYGSEF-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C 252744311 344911730 /nfs/dbraw/zinc/91/17/30/344911730.db2.gz NHDSOEIHXYGSEF-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)[C@@H]1C[N@H+](CC[NH3+])CCS1 306348435 345222479 /nfs/dbraw/zinc/22/24/79/345222479.db2.gz TYGRZYHXNFXXJG-VIFPVBQESA-N 2 2 188.340 1.019 20 0 ADADLP CC(C)[C@@H]1C[N@@H+](CC[NH3+])CCS1 306348435 345222480 /nfs/dbraw/zinc/22/24/80/345222480.db2.gz TYGRZYHXNFXXJG-VIFPVBQESA-N 2 2 188.340 1.019 20 0 ADADLP Cc1ccc(NCC(C)(C)[NH3+])c[nH+]1 306398475 345259574 /nfs/dbraw/zinc/25/95/74/345259574.db2.gz JPYHGLNJXHCLGR-UHFFFAOYSA-N 2 2 179.267 1.539 20 0 ADADLP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)[C@@H]1C 306661048 345526047 /nfs/dbraw/zinc/52/60/47/345526047.db2.gz NQTZTTOQPGWOTD-HBNTYKKESA-N 2 2 182.311 1.469 20 0 ADADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC1(C)C 307514033 346084535 /nfs/dbraw/zinc/08/45/35/346084535.db2.gz OFLRZQFDDABAND-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC1(C)C 307514033 346084536 /nfs/dbraw/zinc/08/45/36/346084536.db2.gz OFLRZQFDDABAND-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC1(C)C 307612336 346146600 /nfs/dbraw/zinc/14/66/00/346146600.db2.gz IFNCAIGAZTZQOU-BBBLOLIVSA-N 2 2 182.311 1.325 20 0 ADADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCC1 308598513 346314669 /nfs/dbraw/zinc/31/46/69/346314669.db2.gz AFEQCKZWDJIHDW-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@]1(F)CC[N@H+](CCn2cc[nH+]c2)C1 334721029 346361446 /nfs/dbraw/zinc/36/14/46/346361446.db2.gz RGHMMQQZBKFZNV-SNVBAGLBSA-N 2 2 197.257 1.317 20 0 ADADLP CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 335307129 346388171 /nfs/dbraw/zinc/38/81/71/346388171.db2.gz OUDKXSHCYZYPNK-JTQLQIEISA-N 2 2 193.294 1.999 20 0 ADADLP CC1(C)CC[N@@H+](CCn2cc[nH+]c2)C1 336486172 346467340 /nfs/dbraw/zinc/46/73/40/346467340.db2.gz VYWHRGKWHUCGRE-UHFFFAOYSA-N 2 2 193.294 1.615 20 0 ADADLP C[C@@H]1CC[N@H+](CC[NH2+]CC(C)(C)C)C1 379634143 346527934 /nfs/dbraw/zinc/52/79/34/346527934.db2.gz QCBJLOTXYGJCJW-LLVKDONJSA-N 2 2 198.354 1.964 20 0 ADADLP C[C@@H]1CC[N@@H+](CC[NH2+]CC(C)(C)C)C1 379634143 346527935 /nfs/dbraw/zinc/52/79/35/346527935.db2.gz QCBJLOTXYGJCJW-LLVKDONJSA-N 2 2 198.354 1.964 20 0 ADADLP [NH3+]C1CC[NH+](Cc2ccns2)CC1 404484061 346645482 /nfs/dbraw/zinc/64/54/82/346645482.db2.gz ZNBXCCVYNNJNRQ-UHFFFAOYSA-N 2 2 197.307 1.066 20 0 ADADLP [NH3+]CC[NH+]1CCC2(CC1)CC2(F)F 405120012 346658288 /nfs/dbraw/zinc/65/82/88/346658288.db2.gz VGIHAUHJLPRERJ-UHFFFAOYSA-N 2 2 190.237 1.066 20 0 ADADLP c1cn(CC[NH+](C2CC2)C2CC2)c[nH+]1 625843532 347293964 /nfs/dbraw/zinc/29/39/64/347293964.db2.gz XJDGYOMEONLFJS-UHFFFAOYSA-N 2 2 191.278 1.510 20 0 ADADLP CCC[NH2+]CC[NH2+]Cc1ccn(C)c1 629648117 347352999 /nfs/dbraw/zinc/35/29/99/347352999.db2.gz OTAUUYWDTFABIA-UHFFFAOYSA-N 2 2 195.310 1.114 20 0 ADADLP C[C@@H]1C[N@@H+](CC23CC(C[NH2+]2)C3)C[C@@H]1C 634993185 347433901 /nfs/dbraw/zinc/43/39/01/347433901.db2.gz MVYLRWZRJYODIT-ZYANWLCNSA-N 2 2 194.322 1.326 20 0 ADADLP C[C@H]1C[C@H]([NH2+][C@H](C)CF)CC[N@@H+]1C 639182275 347503560 /nfs/dbraw/zinc/50/35/60/347503560.db2.gz DUOYCSCIUHBKEN-KXUCPTDWSA-N 2 2 188.290 1.417 20 0 ADADLP C[C@H]1C[C@H]([NH2+][C@H](C)CF)CC[N@H+]1C 639182275 347503562 /nfs/dbraw/zinc/50/35/62/347503562.db2.gz DUOYCSCIUHBKEN-KXUCPTDWSA-N 2 2 188.290 1.417 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1[C@@H](C)CCC1(C)C 641800609 347584876 /nfs/dbraw/zinc/58/48/76/347584876.db2.gz BVLHNPISTFOMQT-IUCAKERBSA-N 2 2 170.300 1.597 20 0 ADADLP C[C@H]1CC[C@H](C)[NH+]1C[C@H]1CCC[NH2+]1 575583537 352793858 /nfs/dbraw/zinc/79/38/58/352793858.db2.gz NMDZLWWOLRCGTE-GARJFASQSA-N 2 2 182.311 1.611 20 0 ADADLP C[C@H](C[N@@H+](C)CC[NH3+])c1nccs1 643078353 352937469 /nfs/dbraw/zinc/93/74/69/352937469.db2.gz LUQQPKZGOZKCCH-MRVPVSSYSA-N 2 2 199.323 1.137 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(F)c1 643504451 352976196 /nfs/dbraw/zinc/97/61/96/352976196.db2.gz QCMSOUJQBJVNLO-SECBINFHSA-N 2 2 196.269 1.696 20 0 ADADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccco1 643511651 352983023 /nfs/dbraw/zinc/98/30/23/352983023.db2.gz ULCCTNOGZICGMR-VHSXEESVSA-N 2 2 196.294 1.914 20 0 ADADLP CCc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])o1 643519478 352989846 /nfs/dbraw/zinc/98/98/46/352989846.db2.gz VHMUBRXXTUUPGG-BDAKNGLRSA-N 2 2 196.294 1.840 20 0 ADADLP Cc1cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])oc1C 643526765 352993952 /nfs/dbraw/zinc/99/39/52/352993952.db2.gz GACRURPIARJLIW-DTWKUNHWSA-N 2 2 196.294 1.894 20 0 ADADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C)o1 643540241 353002247 /nfs/dbraw/zinc/00/22/47/353002247.db2.gz KMKIWVTVBARGPQ-ZJUUUORDSA-N 2 2 196.294 1.976 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1ccccc1 58848109 409395570 /nfs/dbraw/zinc/39/55/70/409395570.db2.gz ZXSFHHMOSGYLRT-SNVBAGLBSA-N 2 2 178.279 1.557 20 0 ADADLP CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63191366 409407455 /nfs/dbraw/zinc/40/74/55/409407455.db2.gz JJIDFCILGPALQR-GHMZBOCLSA-N 2 2 184.327 1.988 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1CC12CC2 527900919 325653115 /nfs/dbraw/zinc/65/31/15/325653115.db2.gz QQAYOPGQFBVVJJ-AXFHLTTASA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1CC12CC2 527900922 325653192 /nfs/dbraw/zinc/65/31/92/325653192.db2.gz QQAYOPGQFBVVJJ-HBNTYKKESA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@H]1CC12CC2 527903176 325653229 /nfs/dbraw/zinc/65/32/29/325653229.db2.gz XRMHJRIYWVCQFO-NXEZZACHSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1CC12CC2 527903178 325653393 /nfs/dbraw/zinc/65/33/93/325653393.db2.gz XRMHJRIYWVCQFO-UWVGGRQHSA-N 2 2 182.311 1.326 20 0 ADADLP Cc1c[nH+]ccc1Cn1cc[nH+]c1C 528428427 325657964 /nfs/dbraw/zinc/65/79/64/325657964.db2.gz RECYPPOTXODBAF-UHFFFAOYSA-N 2 2 187.246 1.943 20 0 ADADLP C[C@H]([NH2+]CCC[NH3+])c1ncccc1F 530234323 325666750 /nfs/dbraw/zinc/66/67/50/325666750.db2.gz AUGICFOZJDIMHF-QMMMGPOBSA-N 2 2 197.257 1.220 20 0 ADADLP C[C@]1([NH3+])CCCC[C@@H]1c1c[nH+]c[nH]1 13741220 343037221 /nfs/dbraw/zinc/03/72/21/343037221.db2.gz QRPSMQORRBAFIK-SCZZXKLOSA-N 2 2 179.267 1.785 20 0 ADADLP C[C@@]1([NH3+])CCCC[C@@H]1c1c[nH+]c[nH]1 13741221 343037306 /nfs/dbraw/zinc/03/73/06/343037306.db2.gz QRPSMQORRBAFIK-PSASIEDQSA-N 2 2 179.267 1.785 20 0 ADADLP C[C@@]1([NH3+])CCCC[C@@H]1c1c[nH]c[nH+]1 13741221 343037307 /nfs/dbraw/zinc/03/73/07/343037307.db2.gz QRPSMQORRBAFIK-PSASIEDQSA-N 2 2 179.267 1.785 20 0 ADADLP C[C@H]([NH2+]CC[NH3+])c1ccc(F)cc1 19732685 343059431 /nfs/dbraw/zinc/05/94/31/343059431.db2.gz KTQRNHBHLYKGOE-QMMMGPOBSA-N 2 2 182.242 1.435 20 0 ADADLP C[NH+](C)C(C)(C)C[NH2+]C1CCCC1 20125687 343067634 /nfs/dbraw/zinc/06/76/34/343067634.db2.gz HADJPHMCYBZGDB-UHFFFAOYSA-N 2 2 184.327 1.859 20 0 ADADLP CC[C@H](C)C[NH2+]CCCn1cc[nH+]c1 20506105 343073851 /nfs/dbraw/zinc/07/38/51/343073851.db2.gz ZAHJZARYKXOJNB-NSHDSACASA-N 2 2 195.310 1.909 20 0 ADADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 20506269 343073980 /nfs/dbraw/zinc/07/39/80/343073980.db2.gz CVLHUSIINZQPTK-JTQLQIEISA-N 2 2 193.294 1.661 20 0 ADADLP C[C@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)C1 21967061 343076299 /nfs/dbraw/zinc/07/62/99/343076299.db2.gz WUCKJDZWEHIEPL-WDEREUQCSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@H]1CCCC[C@H]1[NH2+]CC[NH+](C)C 21955066 343076305 /nfs/dbraw/zinc/07/63/05/343076305.db2.gz RKYHYADKGRNBFV-WDEREUQCSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@H]1CCCC[C@@H]1[NH2+]CC[NH+](C)C 21955059 343076465 /nfs/dbraw/zinc/07/64/65/343076465.db2.gz RKYHYADKGRNBFV-QWRGUYRKSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@H]1CCC[C@H](C)C1[NH2+]CC[NH+](C)C 21955510 343076549 /nfs/dbraw/zinc/07/65/49/343076549.db2.gz OYIDMQLHWSQWLK-QWRGUYRKSA-N 2 2 198.354 1.962 20 0 ADADLP C[NH+](C)CC[NH2+]C1CCCCCC1 21955481 343076639 /nfs/dbraw/zinc/07/66/39/343076639.db2.gz RPVXCEQPGRNNEL-UHFFFAOYSA-N 2 2 184.327 1.860 20 0 ADADLP C[NH+](C)CCC[NH2+]Cc1nccs1 22862349 343082313 /nfs/dbraw/zinc/08/23/13/343082313.db2.gz HRITYIOVFDIQIP-UHFFFAOYSA-N 2 2 199.323 1.184 20 0 ADADLP Cc1[nH+]ccn1CCn1cc[nH+]c1 33992221 343108737 /nfs/dbraw/zinc/10/87/37/343108737.db2.gz LLQQIIJBXUIBAH-UHFFFAOYSA-N 2 2 176.223 1.088 20 0 ADADLP [NH3+]CC[N@@H+]1CCCc2sccc2C1 34180309 343112978 /nfs/dbraw/zinc/11/29/78/343112978.db2.gz TWFIYIKJAFBVOW-UHFFFAOYSA-N 2 2 196.319 1.455 20 0 ADADLP [NH3+]CC[N@H+]1CCCc2sccc2C1 34180309 343112979 /nfs/dbraw/zinc/11/29/79/343112979.db2.gz TWFIYIKJAFBVOW-UHFFFAOYSA-N 2 2 196.319 1.455 20 0 ADADLP CCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 34585822 343122462 /nfs/dbraw/zinc/12/24/62/343122462.db2.gz SBTHRZRERPWBNT-LBPRGKRZSA-N 2 2 196.338 1.957 20 0 ADADLP CCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 34585822 343122463 /nfs/dbraw/zinc/12/24/63/343122463.db2.gz SBTHRZRERPWBNT-LBPRGKRZSA-N 2 2 196.338 1.957 20 0 ADADLP CC(C)[NH2+]CCCn1cc[nH+]c1 34937912 343125873 /nfs/dbraw/zinc/12/58/73/343125873.db2.gz ZHNRSWUGZCPKGQ-UHFFFAOYSA-N 2 2 167.256 1.271 20 0 ADADLP CC[C@H](C)[NH2+]CCCn1cc[nH+]c1 34958076 343126529 /nfs/dbraw/zinc/12/65/29/343126529.db2.gz LTTHGOPUFBSSPY-JTQLQIEISA-N 2 2 181.283 1.661 20 0 ADADLP C[C@@]1([NH3+])CCCC[C@H]1c1c[nH+]c[nH]1 34984413 343127118 /nfs/dbraw/zinc/12/71/18/343127118.db2.gz QRPSMQORRBAFIK-WCBMZHEXSA-N 2 2 179.267 1.785 20 0 ADADLP C[C@@]1([NH3+])CCCC[C@H]1c1c[nH]c[nH+]1 34984413 343127121 /nfs/dbraw/zinc/12/71/21/343127121.db2.gz QRPSMQORRBAFIK-WCBMZHEXSA-N 2 2 179.267 1.785 20 0 ADADLP C[C@]1([NH3+])CCCC[C@H]1c1c[nH+]c[nH]1 34984412 343127312 /nfs/dbraw/zinc/12/73/12/343127312.db2.gz QRPSMQORRBAFIK-WPRPVWTQSA-N 2 2 179.267 1.785 20 0 ADADLP C[C@]1([NH3+])CCCC[C@H]1c1c[nH]c[nH+]1 34984412 343127313 /nfs/dbraw/zinc/12/73/13/343127313.db2.gz QRPSMQORRBAFIK-WPRPVWTQSA-N 2 2 179.267 1.785 20 0 ADADLP C[NH+](C)CC[NH2+]C1CCSCC1 35120769 343128641 /nfs/dbraw/zinc/12/86/41/343128641.db2.gz DAJPYGWZDCRTLX-UHFFFAOYSA-N 2 2 188.340 1.033 20 0 ADADLP Cc1cc(C)c([C@H]([NH3+])C[NH3+])c(C)c1 35677066 343136594 /nfs/dbraw/zinc/13/65/94/343136594.db2.gz CZXPCBGOKOOGDN-SNVBAGLBSA-N 2 2 178.279 1.570 20 0 ADADLP Cc1cc(C)c([C@@H]([NH3+])C[NH3+])c(C)c1 35677067 343136716 /nfs/dbraw/zinc/13/67/16/343136716.db2.gz CZXPCBGOKOOGDN-JTQLQIEISA-N 2 2 178.279 1.570 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)C1CCCCCC1 36328409 343144431 /nfs/dbraw/zinc/14/44/31/343144431.db2.gz LHUQMWZBDWNISO-JTQLQIEISA-N 2 2 184.327 1.988 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)C1CCCCCC1 36328409 343144433 /nfs/dbraw/zinc/14/44/33/343144433.db2.gz LHUQMWZBDWNISO-JTQLQIEISA-N 2 2 184.327 1.988 20 0 ADADLP CC(C)C[C@@H](C[NH2+]CC1CC1)[NH+](C)C 36883848 343152625 /nfs/dbraw/zinc/15/26/25/343152625.db2.gz TUQBBNHHBFPOBS-LBPRGKRZSA-N 2 2 198.354 1.962 20 0 ADADLP CC(C)C[C@H](C[NH2+]CC1CC1)[NH+](C)C 36883849 343152679 /nfs/dbraw/zinc/15/26/79/343152679.db2.gz TUQBBNHHBFPOBS-GFCCVEGCSA-N 2 2 198.354 1.962 20 0 ADADLP C[N@H+](CC[NH3+])Cc1cccs1 37116252 343160439 /nfs/dbraw/zinc/16/04/39/343160439.db2.gz OWGPCFLYNDIFJJ-UHFFFAOYSA-N 2 2 170.281 1.139 20 0 ADADLP C[N@@H+](CC[NH3+])Cc1cccs1 37116252 343160440 /nfs/dbraw/zinc/16/04/40/343160440.db2.gz OWGPCFLYNDIFJJ-UHFFFAOYSA-N 2 2 170.281 1.139 20 0 ADADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CC1CC1 37154344 343160990 /nfs/dbraw/zinc/16/09/90/343160990.db2.gz KAVSNMNWQPJPAL-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CC1CC1 37154346 343161076 /nfs/dbraw/zinc/16/10/76/343161076.db2.gz KAVSNMNWQPJPAL-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP C[NH2+]CC[N@H+](C)CCc1ccccc1 37269502 343165523 /nfs/dbraw/zinc/16/55/23/343165523.db2.gz QFIZDGSXOMPEBF-UHFFFAOYSA-N 2 2 192.306 1.380 20 0 ADADLP C[NH2+]CC[N@@H+](C)CCc1ccccc1 37269502 343165524 /nfs/dbraw/zinc/16/55/24/343165524.db2.gz QFIZDGSXOMPEBF-UHFFFAOYSA-N 2 2 192.306 1.380 20 0 ADADLP C[C@H]1CCC[N@H+](CC[NH2+]CC2CC2)C1 37478486 343170855 /nfs/dbraw/zinc/17/08/55/343170855.db2.gz IUCZYFWFGADTLM-NSHDSACASA-N 2 2 196.338 1.718 20 0 ADADLP C[C@H]1CCC[N@@H+](CC[NH2+]CC2CC2)C1 37478486 343170858 /nfs/dbraw/zinc/17/08/58/343170858.db2.gz IUCZYFWFGADTLM-NSHDSACASA-N 2 2 196.338 1.718 20 0 ADADLP C[C@@H]1CCC[N@H+](CC[NH2+]CC2CC2)C1 37478485 343170895 /nfs/dbraw/zinc/17/08/95/343170895.db2.gz IUCZYFWFGADTLM-LLVKDONJSA-N 2 2 196.338 1.718 20 0 ADADLP C[C@@H]1CCC[N@@H+](CC[NH2+]CC2CC2)C1 37478485 343170897 /nfs/dbraw/zinc/17/08/97/343170897.db2.gz IUCZYFWFGADTLM-LLVKDONJSA-N 2 2 196.338 1.718 20 0 ADADLP CC(C)[N@H+](C)CC[NH2+]C1CCCC1 37482395 343171226 /nfs/dbraw/zinc/17/12/26/343171226.db2.gz JPGNGWNJMPABOB-UHFFFAOYSA-N 2 2 184.327 1.859 20 0 ADADLP CC(C)[N@@H+](C)CC[NH2+]C1CCCC1 37482395 343171228 /nfs/dbraw/zinc/17/12/28/343171228.db2.gz JPGNGWNJMPABOB-UHFFFAOYSA-N 2 2 184.327 1.859 20 0 ADADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@H]([NH3+])C1 37483658 343171264 /nfs/dbraw/zinc/17/12/64/343171264.db2.gz DUYNOFDJUOGFNY-KOLCDFICSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@H](c1ccncc1)[N@H+]1CC[C@H]([NH3+])C1 37483658 343171267 /nfs/dbraw/zinc/17/12/67/343171267.db2.gz DUYNOFDJUOGFNY-KOLCDFICSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]([NH3+])C1 37483649 343171714 /nfs/dbraw/zinc/17/17/14/343171714.db2.gz HNBRKLFRSDANRY-ZJUUUORDSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@H](c1ccccn1)[N@H+]1CC[C@H]([NH3+])C1 37483649 343171716 /nfs/dbraw/zinc/17/17/16/343171716.db2.gz HNBRKLFRSDANRY-ZJUUUORDSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@H](c1cccnc1)[N@@H+]1CC[C@H]([NH3+])C1 37483633 343171798 /nfs/dbraw/zinc/17/17/98/343171798.db2.gz WMYNWWNEKNGJLT-KOLCDFICSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@H](c1cccnc1)[N@H+]1CC[C@H]([NH3+])C1 37483633 343171800 /nfs/dbraw/zinc/17/18/00/343171800.db2.gz WMYNWWNEKNGJLT-KOLCDFICSA-N 2 2 191.278 1.176 20 0 ADADLP Cc1cccc(NCC[NH+](C)C)[nH+]1 37670493 343173351 /nfs/dbraw/zinc/17/33/51/343173351.db2.gz XVEWGKNQWNGFPE-UHFFFAOYSA-N 2 2 179.267 1.364 20 0 ADADLP C[C@H]([NH2+]CC[NH3+])c1cccc(F)c1 37712559 343176323 /nfs/dbraw/zinc/17/63/23/343176323.db2.gz CDRYNHDNGYTXFZ-QMMMGPOBSA-N 2 2 182.242 1.435 20 0 ADADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccco1 38040854 343183715 /nfs/dbraw/zinc/18/37/15/343183715.db2.gz PJINGDZPPXVJIB-VIFPVBQESA-N 2 2 194.278 1.682 20 0 ADADLP CC[C@H](C)C[N@@H+]1CCC[NH2+]CC1 38087046 343184326 /nfs/dbraw/zinc/18/43/26/343184326.db2.gz OPUAMWRCKZZTKS-JTQLQIEISA-N 2 2 170.300 1.328 20 0 ADADLP CC[C@H](C)C[N@H+]1CCC[NH2+]CC1 38087046 343184327 /nfs/dbraw/zinc/18/43/27/343184327.db2.gz OPUAMWRCKZZTKS-JTQLQIEISA-N 2 2 170.300 1.328 20 0 ADADLP Cc1cccc(NC[C@@H](C)[NH+](C)C)[nH+]1 38089152 343184434 /nfs/dbraw/zinc/18/44/34/343184434.db2.gz NTCQIZYFLXXJFU-SNVBAGLBSA-N 2 2 193.294 1.752 20 0 ADADLP Cc1cccc(NC[C@H](C)[NH+](C)C)[nH+]1 38089153 343184539 /nfs/dbraw/zinc/18/45/39/343184539.db2.gz NTCQIZYFLXXJFU-JTQLQIEISA-N 2 2 193.294 1.752 20 0 ADADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)C1 39215894 343206410 /nfs/dbraw/zinc/20/64/10/343206410.db2.gz YSVSROHZZNQVGJ-LBPRGKRZSA-N 2 2 190.290 1.480 20 0 ADADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)C1 39215894 343206412 /nfs/dbraw/zinc/20/64/12/343206412.db2.gz YSVSROHZZNQVGJ-LBPRGKRZSA-N 2 2 190.290 1.480 20 0 ADADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CC1 40671967 343220485 /nfs/dbraw/zinc/22/04/85/343220485.db2.gz WAPGMRBBJYRAFG-GXSJLCMTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CC1 40671967 343220486 /nfs/dbraw/zinc/22/04/86/343220486.db2.gz WAPGMRBBJYRAFG-GXSJLCMTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CC1 40671969 343220766 /nfs/dbraw/zinc/22/07/66/343220766.db2.gz WAPGMRBBJYRAFG-ONGXEEELSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CC1 40671969 343220768 /nfs/dbraw/zinc/22/07/68/343220768.db2.gz WAPGMRBBJYRAFG-ONGXEEELSA-N 2 2 182.311 1.469 20 0 ADADLP Cc1cc(NCCC[NH+](C)C)nc[nH+]1 40727093 343222180 /nfs/dbraw/zinc/22/21/80/343222180.db2.gz MFYBLOKACIYASQ-UHFFFAOYSA-N 2 2 194.282 1.149 20 0 ADADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCCC2)C1 40725359 343222227 /nfs/dbraw/zinc/22/22/27/343222227.db2.gz SUXPYVXGFWLNKG-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H]1C[C@H](C)C[NH+](CC(C)(C)[NH3+])C1 40925807 343224062 /nfs/dbraw/zinc/22/40/62/343224062.db2.gz LKNODSQCBVNBAH-UWVGGRQHSA-N 2 2 184.327 1.702 20 0 ADADLP CC[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 40925988 343224113 /nfs/dbraw/zinc/22/41/13/343224113.db2.gz SBIGBROFEQTMNC-JTQLQIEISA-N 2 2 184.327 1.846 20 0 ADADLP CC[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 40925988 343224115 /nfs/dbraw/zinc/22/41/15/343224115.db2.gz SBIGBROFEQTMNC-JTQLQIEISA-N 2 2 184.327 1.846 20 0 ADADLP C[N@H+](CC(C)(C)[NH3+])C1CCCCC1 40925792 343224193 /nfs/dbraw/zinc/22/41/93/343224193.db2.gz UTNQNOOTXDCRRZ-UHFFFAOYSA-N 2 2 184.327 1.988 20 0 ADADLP C[N@@H+](CC(C)(C)[NH3+])C1CCCCC1 40925792 343224194 /nfs/dbraw/zinc/22/41/94/343224194.db2.gz UTNQNOOTXDCRRZ-UHFFFAOYSA-N 2 2 184.327 1.988 20 0 ADADLP CCC[N@H+](CC)CC(C)(C)[NH3+] 40925874 343224218 /nfs/dbraw/zinc/22/42/18/343224218.db2.gz QATFQZSHDSNZFO-UHFFFAOYSA-N 2 2 158.289 1.456 20 0 ADADLP CCC[N@@H+](CC)CC(C)(C)[NH3+] 40925874 343224221 /nfs/dbraw/zinc/22/42/21/343224221.db2.gz QATFQZSHDSNZFO-UHFFFAOYSA-N 2 2 158.289 1.456 20 0 ADADLP C[C@H]1C[C@@H](C)C[N@H+](CC(C)(C)[NH3+])C1 40925804 343224234 /nfs/dbraw/zinc/22/42/34/343224234.db2.gz LKNODSQCBVNBAH-AOOOYVTPSA-N 2 2 184.327 1.702 20 0 ADADLP C[C@H]1C[C@@H](C)C[N@@H+](CC(C)(C)[NH3+])C1 40925804 343224235 /nfs/dbraw/zinc/22/42/35/343224235.db2.gz LKNODSQCBVNBAH-AOOOYVTPSA-N 2 2 184.327 1.702 20 0 ADADLP C[N@H+](CC(C)(C)[NH3+])C1CCCC1 40925872 343224366 /nfs/dbraw/zinc/22/43/66/343224366.db2.gz SUGOWBBJNFHNKQ-UHFFFAOYSA-N 2 2 170.300 1.598 20 0 ADADLP C[N@@H+](CC(C)(C)[NH3+])C1CCCC1 40925872 343224367 /nfs/dbraw/zinc/22/43/67/343224367.db2.gz SUGOWBBJNFHNKQ-UHFFFAOYSA-N 2 2 170.300 1.598 20 0 ADADLP CCC(CC)C[NH2+]CCn1cc[nH+]c1 41041873 343225391 /nfs/dbraw/zinc/22/53/91/343225391.db2.gz NYSCVKJUDWXJEK-UHFFFAOYSA-N 2 2 195.310 1.909 20 0 ADADLP CCC(CC)C[N@@H+]1CCC[C@@H]([NH3+])C1 41027618 343225465 /nfs/dbraw/zinc/22/54/65/343225465.db2.gz YNUUEYGBKNCJDR-LLVKDONJSA-N 2 2 184.327 1.846 20 0 ADADLP CCC(CC)C[N@H+]1CCC[C@@H]([NH3+])C1 41027618 343225467 /nfs/dbraw/zinc/22/54/67/343225467.db2.gz YNUUEYGBKNCJDR-LLVKDONJSA-N 2 2 184.327 1.846 20 0 ADADLP CCC(CC)C[N@@H+]1CCC[C@H]([NH3+])C1 41027617 343225502 /nfs/dbraw/zinc/22/55/02/343225502.db2.gz YNUUEYGBKNCJDR-NSHDSACASA-N 2 2 184.327 1.846 20 0 ADADLP CCC(CC)C[N@H+]1CCC[C@H]([NH3+])C1 41027617 343225505 /nfs/dbraw/zinc/22/55/05/343225505.db2.gz YNUUEYGBKNCJDR-NSHDSACASA-N 2 2 184.327 1.846 20 0 ADADLP C[NH+](C)C(C)(C)C[NH2+]CC(C)(C)C 41051159 343227483 /nfs/dbraw/zinc/22/74/83/343227483.db2.gz HEGDZFUKLFZPJC-UHFFFAOYSA-N 2 2 186.343 1.962 20 0 ADADLP C[C@@H](C[NH2+]CC(C)(C)C)[NH+](C)C 41051465 343227877 /nfs/dbraw/zinc/22/78/77/343227877.db2.gz JKFKGZLIKBGJJK-VIFPVBQESA-N 2 2 172.316 1.572 20 0 ADADLP C[C@H](C[NH2+]CC(C)(C)C)[NH+](C)C 41051466 343227883 /nfs/dbraw/zinc/22/78/83/343227883.db2.gz JKFKGZLIKBGJJK-SECBINFHSA-N 2 2 172.316 1.572 20 0 ADADLP Cc1cc[nH+]c(NC[C@@H](C)[NH+](C)C)c1 43561554 343255675 /nfs/dbraw/zinc/25/56/75/343255675.db2.gz ISOZSVFHJMBCCG-SNVBAGLBSA-N 2 2 193.294 1.752 20 0 ADADLP Cc1cc[nH+]c(NC[C@H](C)[NH+](C)C)c1 43561555 343255705 /nfs/dbraw/zinc/25/57/05/343255705.db2.gz ISOZSVFHJMBCCG-JTQLQIEISA-N 2 2 193.294 1.752 20 0 ADADLP CC(C)C[NH2+]CCCCn1cc[nH+]c1 44353219 343263960 /nfs/dbraw/zinc/26/39/60/343263960.db2.gz QNMXLYIHBFYABJ-UHFFFAOYSA-N 2 2 195.310 1.909 20 0 ADADLP CC(C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44684512 343268053 /nfs/dbraw/zinc/26/80/53/343268053.db2.gz MADWFSXHPUUELI-VIFPVBQESA-N 2 2 168.284 1.221 20 0 ADADLP CC(C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 44684512 343268054 /nfs/dbraw/zinc/26/80/54/343268054.db2.gz MADWFSXHPUUELI-VIFPVBQESA-N 2 2 168.284 1.221 20 0 ADADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)s1 50225580 343280073 /nfs/dbraw/zinc/28/00/73/343280073.db2.gz MBCRHRKHGADMRM-VIFPVBQESA-N 2 2 196.319 1.590 20 0 ADADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)s1 50225580 343280076 /nfs/dbraw/zinc/28/00/76/343280076.db2.gz MBCRHRKHGADMRM-VIFPVBQESA-N 2 2 196.319 1.590 20 0 ADADLP Cc1[nH+]ccn1Cc1cc[nH+]c(N)c1 52732174 343306905 /nfs/dbraw/zinc/30/69/05/343306905.db2.gz GFZIBVUCEKLFMS-UHFFFAOYSA-N 2 2 188.234 1.217 20 0 ADADLP Cc1[nH+]ccn1Cc1ccc[nH+]c1N 52732161 343307202 /nfs/dbraw/zinc/30/72/02/343307202.db2.gz LURVYZCKFGETGG-UHFFFAOYSA-N 2 2 188.234 1.217 20 0 ADADLP CC(C)[N@H+](C)CC[NH2+]CC(C)(C)C 54111465 343317983 /nfs/dbraw/zinc/31/79/83/343317983.db2.gz YZUWZGXXWKJNOO-UHFFFAOYSA-N 2 2 186.343 1.962 20 0 ADADLP CC(C)[N@@H+](C)CC[NH2+]CC(C)(C)C 54111465 343317984 /nfs/dbraw/zinc/31/79/84/343317984.db2.gz YZUWZGXXWKJNOO-UHFFFAOYSA-N 2 2 186.343 1.962 20 0 ADADLP CC1([NH2+]Cc2c[nH+]c[nH]2)CCCC1 54765192 343328591 /nfs/dbraw/zinc/32/85/91/343328591.db2.gz HRPIAPICDHKDLL-UHFFFAOYSA-N 2 2 179.267 1.832 20 0 ADADLP Cc1nc(NCCC[NH+](C)C)cc[nH+]1 54935742 343331842 /nfs/dbraw/zinc/33/18/42/343331842.db2.gz RGCVWSFULKALGW-UHFFFAOYSA-N 2 2 194.282 1.149 20 0 ADADLP Cc1nc(NC[C@@H](C)[NH+](C)C)cc[nH+]1 54936028 343332314 /nfs/dbraw/zinc/33/23/14/343332314.db2.gz KFDYWLPGKNYNSI-MRVPVSSYSA-N 2 2 194.282 1.147 20 0 ADADLP CC(C)[NH+]1CCC(n2cc[nH+]c2)CC1 60251059 343352506 /nfs/dbraw/zinc/35/25/06/343352506.db2.gz CMMICSWVAVXIPK-UHFFFAOYSA-N 2 2 193.294 1.928 20 0 ADADLP CCn1c(C)[nH+]c2cc(C[NH3+])ccc21 62213978 343372952 /nfs/dbraw/zinc/37/29/52/343372952.db2.gz MNSNUUFCNVFRFB-UHFFFAOYSA-N 2 2 189.262 1.823 20 0 ADADLP Cc1ccc(NCCC[NH3+])c[nH+]1 62948424 343387211 /nfs/dbraw/zinc/38/72/11/343387211.db2.gz WYYWYYBJUFUWOI-UHFFFAOYSA-N 2 2 165.240 1.151 20 0 ADADLP CC1(C)CCC[N@@H+]1C[C@H]1CCC[NH2+]1 63067282 343400275 /nfs/dbraw/zinc/40/02/75/343400275.db2.gz LXHMRXZRBQNSIS-SNVBAGLBSA-N 2 2 182.311 1.613 20 0 ADADLP CC1(C)CCC[N@H+]1C[C@H]1CCC[NH2+]1 63067282 343400277 /nfs/dbraw/zinc/40/02/77/343400277.db2.gz LXHMRXZRBQNSIS-SNVBAGLBSA-N 2 2 182.311 1.613 20 0 ADADLP CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63191370 343405318 /nfs/dbraw/zinc/40/53/18/343405318.db2.gz CAEGIYPIGQFWJI-NXEZZACHSA-N 2 2 170.300 1.598 20 0 ADADLP CCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63191370 343405319 /nfs/dbraw/zinc/40/53/19/343405319.db2.gz CAEGIYPIGQFWJI-NXEZZACHSA-N 2 2 170.300 1.598 20 0 ADADLP CCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 63191371 343405445 /nfs/dbraw/zinc/40/54/45/343405445.db2.gz CAEGIYPIGQFWJI-ZJUUUORDSA-N 2 2 170.300 1.598 20 0 ADADLP Cc1ccc([C@@H]2[C@H]([NH3+])CC[N@H+]2C)s1 69798878 343442785 /nfs/dbraw/zinc/44/27/85/343442785.db2.gz KTOUIVWBYGNYKI-SCZZXKLOSA-N 2 2 196.319 1.760 20 0 ADADLP Cc1ccc([C@@H]2[C@H]([NH3+])CC[N@@H+]2C)s1 69798878 343442786 /nfs/dbraw/zinc/44/27/86/343442786.db2.gz KTOUIVWBYGNYKI-SCZZXKLOSA-N 2 2 196.319 1.760 20 0 ADADLP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1cccs1 69799637 343442970 /nfs/dbraw/zinc/44/29/70/343442970.db2.gz DDDDDNPINLXNKL-WCBMZHEXSA-N 2 2 196.319 1.842 20 0 ADADLP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1c1cccs1 69799637 343442973 /nfs/dbraw/zinc/44/29/73/343442973.db2.gz DDDDDNPINLXNKL-WCBMZHEXSA-N 2 2 196.319 1.842 20 0 ADADLP CC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1cccs1 69799639 343443022 /nfs/dbraw/zinc/44/30/22/343443022.db2.gz DDDDDNPINLXNKL-PSASIEDQSA-N 2 2 196.319 1.842 20 0 ADADLP Cc1ccc([C@H]2[C@@H]([NH3+])CC[N@H+]2C)s1 69798884 343443056 /nfs/dbraw/zinc/44/30/56/343443056.db2.gz KTOUIVWBYGNYKI-WCBMZHEXSA-N 2 2 196.319 1.760 20 0 ADADLP Cc1ccc([C@H]2[C@@H]([NH3+])CC[N@@H+]2C)s1 69798884 343443059 /nfs/dbraw/zinc/44/30/59/343443059.db2.gz KTOUIVWBYGNYKI-WCBMZHEXSA-N 2 2 196.319 1.760 20 0 ADADLP Cc1ccc([C@@H]2[C@@H]([NH3+])CC[N@H+]2C)s1 69798882 343443242 /nfs/dbraw/zinc/44/32/42/343443242.db2.gz KTOUIVWBYGNYKI-WPRPVWTQSA-N 2 2 196.319 1.760 20 0 ADADLP Cc1ccc([C@@H]2[C@@H]([NH3+])CC[N@@H+]2C)s1 69798882 343443244 /nfs/dbraw/zinc/44/32/44/343443244.db2.gz KTOUIVWBYGNYKI-WPRPVWTQSA-N 2 2 196.319 1.760 20 0 ADADLP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccco1 69799694 343443285 /nfs/dbraw/zinc/44/32/85/343443285.db2.gz FPIHBFXUMDVSOM-WCBMZHEXSA-N 2 2 180.251 1.374 20 0 ADADLP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccco1 69799694 343443286 /nfs/dbraw/zinc/44/32/86/343443286.db2.gz FPIHBFXUMDVSOM-WCBMZHEXSA-N 2 2 180.251 1.374 20 0 ADADLP CC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccco1 69799696 343443293 /nfs/dbraw/zinc/44/32/93/343443293.db2.gz FPIHBFXUMDVSOM-PSASIEDQSA-N 2 2 180.251 1.374 20 0 ADADLP CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccco1 69799696 343443295 /nfs/dbraw/zinc/44/32/95/343443295.db2.gz FPIHBFXUMDVSOM-PSASIEDQSA-N 2 2 180.251 1.374 20 0 ADADLP Cc1ccc([C@H]2[C@H]([NH3+])CC[N@H+]2C)s1 69798880 343443300 /nfs/dbraw/zinc/44/33/00/343443300.db2.gz KTOUIVWBYGNYKI-PSASIEDQSA-N 2 2 196.319 1.760 20 0 ADADLP Cc1ccc([C@H]2[C@H]([NH3+])CC[N@@H+]2C)s1 69798880 343443301 /nfs/dbraw/zinc/44/33/01/343443301.db2.gz KTOUIVWBYGNYKI-PSASIEDQSA-N 2 2 196.319 1.760 20 0 ADADLP C[C@H]1C[N@@H+](C[C@@H](C)[NH3+])C[C@@H](C)S1 69910149 343455943 /nfs/dbraw/zinc/45/59/43/343455943.db2.gz LGDLMHSUWAZNNG-HLTSFMKQSA-N 2 2 188.340 1.159 20 0 ADADLP C[C@H]1C[N@H+](C[C@@H](C)[NH3+])C[C@@H](C)S1 69910149 343455946 /nfs/dbraw/zinc/45/59/46/343455946.db2.gz LGDLMHSUWAZNNG-HLTSFMKQSA-N 2 2 188.340 1.159 20 0 ADADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C(C)C)C1 70558201 343490186 /nfs/dbraw/zinc/49/01/86/343490186.db2.gz TUOPOOKCDKVDGP-NSHDSACASA-N 2 2 184.327 1.857 20 0 ADADLP CC(C)[NH2+][C@H]1CCC[N@H+](C(C)C)C1 70558201 343490188 /nfs/dbraw/zinc/49/01/88/343490188.db2.gz TUOPOOKCDKVDGP-NSHDSACASA-N 2 2 184.327 1.857 20 0 ADADLP CCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 70558190 343490383 /nfs/dbraw/zinc/49/03/83/343490383.db2.gz BIWDEGBFKZLMBP-NSHDSACASA-N 2 2 184.327 1.859 20 0 ADADLP CCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 70558190 343490385 /nfs/dbraw/zinc/49/03/85/343490385.db2.gz BIWDEGBFKZLMBP-NSHDSACASA-N 2 2 184.327 1.859 20 0 ADADLP CC[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])CC1 70613162 343503150 /nfs/dbraw/zinc/50/31/50/343503150.db2.gz UCXPGPITQJYIMS-MNOVXSKESA-N 2 2 184.327 1.846 20 0 ADADLP CC[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])CC1 70613162 343503153 /nfs/dbraw/zinc/50/31/53/343503153.db2.gz UCXPGPITQJYIMS-MNOVXSKESA-N 2 2 184.327 1.846 20 0 ADADLP CC[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])CC1 70613161 343503258 /nfs/dbraw/zinc/50/32/58/343503258.db2.gz UCXPGPITQJYIMS-GHMZBOCLSA-N 2 2 184.327 1.846 20 0 ADADLP CC[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])CC1 70613161 343503261 /nfs/dbraw/zinc/50/32/61/343503261.db2.gz UCXPGPITQJYIMS-GHMZBOCLSA-N 2 2 184.327 1.846 20 0 ADADLP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1nccs1 70634507 343511194 /nfs/dbraw/zinc/51/11/94/343511194.db2.gz ZUSGEECAIAVYAR-YUMQZZPRSA-N 2 2 199.323 1.531 20 0 ADADLP C[C@H]([NH3+])CC[NH2+][C@H](C)c1nccs1 70634509 343511504 /nfs/dbraw/zinc/51/15/04/343511504.db2.gz ZUSGEECAIAVYAR-JGVFFNPUSA-N 2 2 199.323 1.531 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+](C)C)C1 70642687 343514425 /nfs/dbraw/zinc/51/44/25/343514425.db2.gz CACOSZKBHQNDEB-NXEZZACHSA-N 2 2 170.300 1.326 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 70642851 343514566 /nfs/dbraw/zinc/51/45/66/343514566.db2.gz RIJHENDWAXWSAA-VXGBXAGGSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 70642850 343514573 /nfs/dbraw/zinc/51/45/73/343514573.db2.gz RIJHENDWAXWSAA-RYUDHWBXSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+](C)C)C1 70642685 343514589 /nfs/dbraw/zinc/51/45/89/343514589.db2.gz CACOSZKBHQNDEB-ZJUUUORDSA-N 2 2 170.300 1.326 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 70642849 343514615 /nfs/dbraw/zinc/51/46/15/343514615.db2.gz RIJHENDWAXWSAA-NEPJUHHUSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H]1CC[C@H]([NH2+]CC[NH+](C)C)C1 70642686 343514633 /nfs/dbraw/zinc/51/46/33/343514633.db2.gz CACOSZKBHQNDEB-UWVGGRQHSA-N 2 2 170.300 1.326 20 0 ADADLP C[C@H]1CC[C@@H]([NH2+]CC[NH+](C)C)C1 70642688 343514720 /nfs/dbraw/zinc/51/47/20/343514720.db2.gz CACOSZKBHQNDEB-VHSXEESVSA-N 2 2 170.300 1.326 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1 70643507 343514855 /nfs/dbraw/zinc/51/48/55/343514855.db2.gz LAANARQTFHZXMO-MXWKQRLJSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 70643614 343514861 /nfs/dbraw/zinc/51/48/61/343514861.db2.gz PMMGWMVOLZLKKY-WDEREUQCSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 70643613 343514870 /nfs/dbraw/zinc/51/48/70/343514870.db2.gz PMMGWMVOLZLKKY-GHMZBOCLSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1 70643509 343514921 /nfs/dbraw/zinc/51/49/21/343514921.db2.gz LAANARQTFHZXMO-GMTAPVOTSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 70643612 343515214 /nfs/dbraw/zinc/51/52/14/343515214.db2.gz PMMGWMVOLZLKKY-QWRGUYRKSA-N 2 2 193.294 1.661 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 70643611 343515229 /nfs/dbraw/zinc/51/52/29/343515229.db2.gz PMMGWMVOLZLKKY-MNOVXSKESA-N 2 2 193.294 1.661 20 0 ADADLP Cc1cccc(NCc2[nH]cc[nH+]2)[nH+]1 70646515 343517341 /nfs/dbraw/zinc/51/73/41/343517341.db2.gz BGQFVVGJTZJLPD-UHFFFAOYSA-N 2 2 188.234 1.725 20 0 ADADLP Cc1ccc[nH+]c1NCc1[nH]cc[nH+]1 70646508 343517356 /nfs/dbraw/zinc/51/73/56/343517356.db2.gz WDPLXCWYWHMHLX-UHFFFAOYSA-N 2 2 188.234 1.725 20 0 ADADLP C[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 70828609 343534211 /nfs/dbraw/zinc/53/42/11/343534211.db2.gz FCAGCZKNZJUKLM-WPRPVWTQSA-N 2 2 179.267 1.688 20 0 ADADLP C[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 70828612 343534226 /nfs/dbraw/zinc/53/42/26/343534226.db2.gz FCAGCZKNZJUKLM-PSASIEDQSA-N 2 2 179.267 1.688 20 0 ADADLP C[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 70828618 343534315 /nfs/dbraw/zinc/53/43/15/343534315.db2.gz FCAGCZKNZJUKLM-WCBMZHEXSA-N 2 2 179.267 1.688 20 0 ADADLP C[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 70828602 343534470 /nfs/dbraw/zinc/53/44/70/343534470.db2.gz FCAGCZKNZJUKLM-SCZZXKLOSA-N 2 2 179.267 1.688 20 0 ADADLP CC(C)([NH3+])COc1cc[nH+]cc1 70838297 343536553 /nfs/dbraw/zinc/53/65/53/343536553.db2.gz ISYNRBPLZFYJGL-UHFFFAOYSA-N 2 2 166.224 1.198 20 0 ADADLP Cc1ccc([C@@H]([NH3+])C[NH3+])c(Cl)c1 72200244 343561048 /nfs/dbraw/zinc/56/10/48/343561048.db2.gz AKKQTIGOCNPSES-VIFPVBQESA-N 2 2 184.670 1.607 20 0 ADADLP Cc1cccc([C@@H]([NH3+])C[NH3+])c1F 72200042 343561071 /nfs/dbraw/zinc/56/10/71/343561071.db2.gz UCBVBBIYJNGPHW-QMMMGPOBSA-N 2 2 168.215 1.093 20 0 ADADLP Cc1ccc([C@@H]([NH3+])C[NH3+])c(F)c1 72200040 343561132 /nfs/dbraw/zinc/56/11/32/343561132.db2.gz MJCDFDBMSULHNE-VIFPVBQESA-N 2 2 168.215 1.093 20 0 ADADLP Cc1ccc([C@H]([NH3+])C[NH3+])c(Cl)c1 72200243 343561414 /nfs/dbraw/zinc/56/14/14/343561414.db2.gz AKKQTIGOCNPSES-SECBINFHSA-N 2 2 184.670 1.607 20 0 ADADLP Cc1cccc([C@H]([NH3+])C[NH3+])c1F 72200041 343561424 /nfs/dbraw/zinc/56/14/24/343561424.db2.gz UCBVBBIYJNGPHW-MRVPVSSYSA-N 2 2 168.215 1.093 20 0 ADADLP Cc1ccc([C@@H]([NH3+])C[NH3+])cc1F 72200034 343561460 /nfs/dbraw/zinc/56/14/60/343561460.db2.gz AZWZWUKMKCZLQC-VIFPVBQESA-N 2 2 168.215 1.093 20 0 ADADLP Cc1ccc([C@H]([NH3+])C[NH3+])c(F)c1 72200039 343561527 /nfs/dbraw/zinc/56/15/27/343561527.db2.gz MJCDFDBMSULHNE-SECBINFHSA-N 2 2 168.215 1.093 20 0 ADADLP Cc1cccc(C)c1[C@H]([NH3+])C[NH3+] 72199991 343561557 /nfs/dbraw/zinc/56/15/57/343561557.db2.gz SGZPYNJYDPDBDE-SECBINFHSA-N 2 2 164.252 1.262 20 0 ADADLP Cc1ccc([C@H]([NH3+])C[NH3+])cc1F 72200033 343561605 /nfs/dbraw/zinc/56/16/05/343561605.db2.gz AZWZWUKMKCZLQC-SECBINFHSA-N 2 2 168.215 1.093 20 0 ADADLP CC[C@@H]([NH3+])Cc1c[nH+]c2ccccn12 74275604 343571557 /nfs/dbraw/zinc/57/15/57/343571557.db2.gz IQTRUYKKVNATOK-SECBINFHSA-N 2 2 189.262 1.614 20 0 ADADLP Cc1cc(NC(=O)C[C@@H](C)[NH3+])cc[nH+]1 82249211 343596383 /nfs/dbraw/zinc/59/63/83/343596383.db2.gz XGHWXLFFQPBMJQ-SSDOTTSWSA-N 2 2 193.250 1.066 20 0 ADADLP Cc1c[nH+]ccc1NC(=O)C[C@@H](C)[NH3+] 82249213 343596420 /nfs/dbraw/zinc/59/64/20/343596420.db2.gz SQBRZOIOCKRHTJ-MRVPVSSYSA-N 2 2 193.250 1.066 20 0 ADADLP Cc1c[nH+]ccc1NC(=O)C[C@H](C)[NH3+] 82249214 343596543 /nfs/dbraw/zinc/59/65/43/343596543.db2.gz SQBRZOIOCKRHTJ-QMMMGPOBSA-N 2 2 193.250 1.066 20 0 ADADLP Cc1ccccc1[C@H]1C[N@H+](C)C[C@@H]1[NH3+] 82390266 343600039 /nfs/dbraw/zinc/60/00/39/343600039.db2.gz ZLMVARYAQIXKNP-NEPJUHHUSA-N 2 2 190.290 1.351 20 0 ADADLP Cc1ccccc1[C@H]1C[N@@H+](C)C[C@@H]1[NH3+] 82390266 343600043 /nfs/dbraw/zinc/60/00/43/343600043.db2.gz ZLMVARYAQIXKNP-NEPJUHHUSA-N 2 2 190.290 1.351 20 0 ADADLP Cn1c[nH+]cc1C[NH2+]Cc1ccco1 82393835 343600308 /nfs/dbraw/zinc/60/03/08/343600308.db2.gz PTSGKDBTBZXHDD-UHFFFAOYSA-N 2 2 191.234 1.303 20 0 ADADLP c1c(C2CC[NH2+]CC2)[nH+]c2n1CCC2 82890405 343615284 /nfs/dbraw/zinc/61/52/84/343615284.db2.gz JMAOMPURCUNWKC-UHFFFAOYSA-N 2 2 191.278 1.296 20 0 ADADLP CC(C)[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] 84126988 343630953 /nfs/dbraw/zinc/63/09/53/343630953.db2.gz NWSUDBLIQGFRRW-SNVBAGLBSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] 84126988 343630955 /nfs/dbraw/zinc/63/09/55/343630955.db2.gz NWSUDBLIQGFRRW-SNVBAGLBSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] 84125846 343631041 /nfs/dbraw/zinc/63/10/41/343631041.db2.gz ZYGKTKJULAGNEL-NXEZZACHSA-N 2 2 170.300 1.454 20 0 ADADLP CC(C)[C@H]1CCC[N@H+]1C[C@@H](C)[NH3+] 84125846 343631039 /nfs/dbraw/zinc/63/10/39/343631039.db2.gz ZYGKTKJULAGNEL-NXEZZACHSA-N 2 2 170.300 1.454 20 0 ADADLP CC(C)[C@@H]1CCC[N@H+]1C[C@@H](C)[NH3+] 84125844 343631105 /nfs/dbraw/zinc/63/11/05/343631105.db2.gz ZYGKTKJULAGNEL-ZJUUUORDSA-N 2 2 170.300 1.454 20 0 ADADLP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] 84125844 343631108 /nfs/dbraw/zinc/63/11/08/343631108.db2.gz ZYGKTKJULAGNEL-ZJUUUORDSA-N 2 2 170.300 1.454 20 0 ADADLP CC(C)[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] 84126984 343631294 /nfs/dbraw/zinc/63/12/94/343631294.db2.gz NWSUDBLIQGFRRW-JTQLQIEISA-N 2 2 184.327 1.844 20 0 ADADLP Cc1ccc(NC2CC[NH2+]CC2)c[nH+]1 86485940 343651928 /nfs/dbraw/zinc/65/19/28/343651928.db2.gz NNIBYSOVXOMBAJ-UHFFFAOYSA-N 2 2 191.278 1.554 20 0 ADADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 86724242 343653752 /nfs/dbraw/zinc/65/37/52/343653752.db2.gz FCPUSMFBQFGAJL-CMPLNLGQSA-N 2 2 190.290 1.699 20 0 ADADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccs1 86725546 343653773 /nfs/dbraw/zinc/65/37/73/343653773.db2.gz XGQQXWFZGNZIJP-IUCAKERBSA-N 2 2 196.319 1.761 20 0 ADADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)s1 86729656 343653826 /nfs/dbraw/zinc/65/38/26/343653826.db2.gz KMJBSXGHTZJANZ-SECBINFHSA-N 2 2 196.319 1.508 20 0 ADADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 86724244 343653844 /nfs/dbraw/zinc/65/38/44/343653844.db2.gz FCPUSMFBQFGAJL-JQWIXIFHSA-N 2 2 190.290 1.699 20 0 ADADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccs1 86725540 343653856 /nfs/dbraw/zinc/65/38/56/343653856.db2.gz XGQQXWFZGNZIJP-DTWKUNHWSA-N 2 2 196.319 1.761 20 0 ADADLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 86725326 343654014 /nfs/dbraw/zinc/65/40/14/343654014.db2.gz FQFAXNXDWMMUJT-GFCCVEGCSA-N 2 2 190.290 1.447 20 0 ADADLP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 86725330 343654040 /nfs/dbraw/zinc/65/40/40/343654040.db2.gz FQFAXNXDWMMUJT-LBPRGKRZSA-N 2 2 190.290 1.447 20 0 ADADLP c1csc(C[NH2+][C@@H]2CC[NH2+]C2)c1 86725399 343654091 /nfs/dbraw/zinc/65/40/91/343654091.db2.gz AEIKHURJBMLBGC-MRVPVSSYSA-N 2 2 182.292 1.200 20 0 ADADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C2)cs1 86730027 343654628 /nfs/dbraw/zinc/65/46/28/343654628.db2.gz ORXJPDBUZCJRQD-SECBINFHSA-N 2 2 182.292 1.200 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccsc1 86729907 343654653 /nfs/dbraw/zinc/65/46/53/343654653.db2.gz WSZBLCYQLCDYMV-PSASIEDQSA-N 2 2 196.319 1.761 20 0 ADADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2)s1 86729659 343654707 /nfs/dbraw/zinc/65/47/07/343654707.db2.gz KMJBSXGHTZJANZ-VIFPVBQESA-N 2 2 196.319 1.508 20 0 ADADLP c1cc(C[NH2+][C@H]2CC[NH2+]C2)cs1 86730030 343654721 /nfs/dbraw/zinc/65/47/21/343654721.db2.gz ORXJPDBUZCJRQD-VIFPVBQESA-N 2 2 182.292 1.200 20 0 ADADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccsc1 86729910 343654741 /nfs/dbraw/zinc/65/47/41/343654741.db2.gz WSZBLCYQLCDYMV-SCZZXKLOSA-N 2 2 196.319 1.761 20 0 ADADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccsc1 86729905 343654754 /nfs/dbraw/zinc/65/47/54/343654754.db2.gz WSZBLCYQLCDYMV-WCBMZHEXSA-N 2 2 196.319 1.761 20 0 ADADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccsc1 86729908 343654843 /nfs/dbraw/zinc/65/48/43/343654843.db2.gz WSZBLCYQLCDYMV-WPRPVWTQSA-N 2 2 196.319 1.761 20 0 ADADLP Cc1ccsc1C[NH2+][C@H]1CC[NH2+]C1 87308730 343659299 /nfs/dbraw/zinc/65/92/99/343659299.db2.gz KFDLTYRESFZRQV-VIFPVBQESA-N 2 2 196.319 1.508 20 0 ADADLP Cc1ccsc1C[NH2+][C@@H]1CC[NH2+]C1 87308729 343659583 /nfs/dbraw/zinc/65/95/83/343659583.db2.gz KFDLTYRESFZRQV-SECBINFHSA-N 2 2 196.319 1.508 20 0 ADADLP C[N@H+](Cc1cccnc1)C1CC([NH3+])C1 87653222 343662625 /nfs/dbraw/zinc/66/26/25/343662625.db2.gz ABJPNIAVPXYHRK-UHFFFAOYSA-N 2 2 191.278 1.003 20 0 ADADLP C[N@H+](Cc1ccccn1)C1CC([NH3+])C1 87653224 343662812 /nfs/dbraw/zinc/66/28/12/343662812.db2.gz QOYUFBUMHVMHEI-UHFFFAOYSA-N 2 2 191.278 1.003 20 0 ADADLP C[N@@H+](Cc1ccccn1)C1CC([NH3+])C1 87653224 343662813 /nfs/dbraw/zinc/66/28/13/343662813.db2.gz QOYUFBUMHVMHEI-UHFFFAOYSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]([NH3+])C1 95068267 343678702 /nfs/dbraw/zinc/67/87/02/343678702.db2.gz HNBRKLFRSDANRY-NXEZZACHSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]([NH3+])C1 95068267 343678704 /nfs/dbraw/zinc/67/87/04/343678704.db2.gz HNBRKLFRSDANRY-NXEZZACHSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1 97125331 343702036 /nfs/dbraw/zinc/70/20/36/343702036.db2.gz AVTMHOATGUADSI-JTQLQIEISA-N 2 2 178.279 1.466 20 0 in-vitro ADADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1 97125331 343702037 /nfs/dbraw/zinc/70/20/37/343702037.db2.gz AVTMHOATGUADSI-JTQLQIEISA-N 2 2 178.279 1.466 20 0 in-vitro ADADLP C[C@H](CF)[NH2+]C1CC[NH+](C)CC1 98188429 343707131 /nfs/dbraw/zinc/70/71/31/343707131.db2.gz PKOYTJXYNMMDSI-MRVPVSSYSA-N 2 2 174.263 1.028 20 0 ADADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CC1 101574190 343724126 /nfs/dbraw/zinc/72/41/26/343724126.db2.gz ILVJGONZWFEGCU-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CC1 101574182 343724061 /nfs/dbraw/zinc/72/40/61/343724061.db2.gz ILVJGONZWFEGCU-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CC1 101574182 343724064 /nfs/dbraw/zinc/72/40/64/343724064.db2.gz ILVJGONZWFEGCU-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CC1 101574190 343724129 /nfs/dbraw/zinc/72/41/29/343724129.db2.gz ILVJGONZWFEGCU-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1C[C@H]([NH2+]C2CC2)C[N@@H+]1C1CC1 107228127 343748083 /nfs/dbraw/zinc/74/80/83/343748083.db2.gz UUDYUWVYFCITOM-WPRPVWTQSA-N 2 2 180.295 1.364 20 0 ADADLP C[C@H]1C[C@H]([NH2+]C2CC2)C[N@H+]1C1CC1 107228127 343748085 /nfs/dbraw/zinc/74/80/85/343748085.db2.gz UUDYUWVYFCITOM-WPRPVWTQSA-N 2 2 180.295 1.364 20 0 ADADLP C[C@H]1C[C@@H]([NH2+]C2CC2)C[N@@H+]1C1CC1 107228132 343748136 /nfs/dbraw/zinc/74/81/36/343748136.db2.gz UUDYUWVYFCITOM-WCBMZHEXSA-N 2 2 180.295 1.364 20 0 ADADLP C[C@H]1C[C@@H]([NH2+]C2CC2)C[N@H+]1C1CC1 107228132 343748138 /nfs/dbraw/zinc/74/81/38/343748138.db2.gz UUDYUWVYFCITOM-WCBMZHEXSA-N 2 2 180.295 1.364 20 0 ADADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCCC1 107788043 343750044 /nfs/dbraw/zinc/75/00/44/343750044.db2.gz OKFUEDXNNDZPHB-LLVKDONJSA-N 2 2 182.311 1.613 20 0 ADADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCCC1 107788043 343750048 /nfs/dbraw/zinc/75/00/48/343750048.db2.gz OKFUEDXNNDZPHB-LLVKDONJSA-N 2 2 182.311 1.613 20 0 ADADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCCC1 107788045 343750115 /nfs/dbraw/zinc/75/01/15/343750115.db2.gz OKFUEDXNNDZPHB-NSHDSACASA-N 2 2 182.311 1.613 20 0 ADADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCCC1 107788045 343750117 /nfs/dbraw/zinc/75/01/17/343750117.db2.gz OKFUEDXNNDZPHB-NSHDSACASA-N 2 2 182.311 1.613 20 0 ADADLP CC(C)[C@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+] 108297370 343751617 /nfs/dbraw/zinc/75/16/17/343751617.db2.gz JEFGTZDIFNASBC-GHMZBOCLSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[C@H]1CCCC[N@H+]1C[C@@H](C)[NH3+] 108297370 343751615 /nfs/dbraw/zinc/75/16/15/343751615.db2.gz JEFGTZDIFNASBC-GHMZBOCLSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[C@@H]1CCCC[N@H+]1C[C@@H](C)[NH3+] 108297368 343751668 /nfs/dbraw/zinc/75/16/68/343751668.db2.gz JEFGTZDIFNASBC-MNOVXSKESA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+] 108297368 343751671 /nfs/dbraw/zinc/75/16/71/343751671.db2.gz JEFGTZDIFNASBC-MNOVXSKESA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1CCCCC[N@@H+]1C[C@@H](C)[NH3+] 108297386 343751866 /nfs/dbraw/zinc/75/18/66/343751866.db2.gz AHRKOWUCLPNNEQ-GHMZBOCLSA-N 2 2 184.327 1.988 20 0 ADADLP CC[C@@H]1CCCCC[N@H+]1C[C@@H](C)[NH3+] 108297386 343751867 /nfs/dbraw/zinc/75/18/67/343751867.db2.gz AHRKOWUCLPNNEQ-GHMZBOCLSA-N 2 2 184.327 1.988 20 0 ADADLP C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 112943259 343755970 /nfs/dbraw/zinc/75/59/70/343755970.db2.gz SJLGLJJWNMDHAO-LLVKDONJSA-N 2 2 193.294 1.615 20 0 ADADLP C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 112943383 343756206 /nfs/dbraw/zinc/75/62/06/343756206.db2.gz SJLGLJJWNMDHAO-NSHDSACASA-N 2 2 193.294 1.615 20 0 ADADLP C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 112943383 343756207 /nfs/dbraw/zinc/75/62/07/343756207.db2.gz SJLGLJJWNMDHAO-NSHDSACASA-N 2 2 193.294 1.615 20 0 ADADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 112942975 343756213 /nfs/dbraw/zinc/75/62/13/343756213.db2.gz YESVOCGKESIJME-SNVBAGLBSA-N 2 2 179.267 1.225 20 0 ADADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 112942975 343756214 /nfs/dbraw/zinc/75/62/14/343756214.db2.gz YESVOCGKESIJME-SNVBAGLBSA-N 2 2 179.267 1.225 20 0 ADADLP Cc1cc(C2=CC[NH2+]CC2)cc[nH+]1 113248359 343757768 /nfs/dbraw/zinc/75/77/68/343757768.db2.gz VPIMQIAXNWPVGL-UHFFFAOYSA-N 2 2 174.247 1.767 20 0 ADADLP CC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C 116321067 343768843 /nfs/dbraw/zinc/76/88/43/343768843.db2.gz VMBPUDOWJCJJQJ-BDAKNGLRSA-N 2 2 158.289 1.325 20 0 ADADLP CC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C 116321071 343768909 /nfs/dbraw/zinc/76/89/09/343768909.db2.gz VMBPUDOWJCJJQJ-IUCAKERBSA-N 2 2 158.289 1.325 20 0 ADADLP Cc1[nH+]cn(Cc2[nH+]ccn2C)c1C 123479362 343783685 /nfs/dbraw/zinc/78/36/85/343783685.db2.gz RPMGDFZHLWLXPJ-UHFFFAOYSA-N 2 2 190.250 1.282 20 0 ADADLP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1C 128873938 343839398 /nfs/dbraw/zinc/83/93/98/343839398.db2.gz LGFHQXJQESKPEK-GHMZBOCLSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+]1C 128873938 343839400 /nfs/dbraw/zinc/83/94/00/343839400.db2.gz LGFHQXJQESKPEK-GHMZBOCLSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1C 128874199 343839544 /nfs/dbraw/zinc/83/95/44/343839544.db2.gz LGFHQXJQESKPEK-WDEREUQCSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+]1C 128874199 343839545 /nfs/dbraw/zinc/83/95/45/343839545.db2.gz LGFHQXJQESKPEK-WDEREUQCSA-N 2 2 184.327 1.716 20 0 ADADLP Cc1[nH+]cn(Cc2c[nH+]cn2C)c1C 128991519 343841900 /nfs/dbraw/zinc/84/19/00/343841900.db2.gz NXKKHIZBJWZCTB-UHFFFAOYSA-N 2 2 190.250 1.282 20 0 ADADLP Cc1cccc(N[C@@H](C)C[NH+](C)C)[nH+]1 130621978 343870990 /nfs/dbraw/zinc/87/09/90/343870990.db2.gz JWNJQTLTIIHKAX-JTQLQIEISA-N 2 2 193.294 1.752 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCSC(C)(C)C1 133342309 343916233 /nfs/dbraw/zinc/91/62/33/343916233.db2.gz BARVFCVCXQNVNL-MRVPVSSYSA-N 2 2 188.340 1.161 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCSC(C)(C)C1 133342309 343916234 /nfs/dbraw/zinc/91/62/34/343916234.db2.gz BARVFCVCXQNVNL-MRVPVSSYSA-N 2 2 188.340 1.161 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCSC(C)(C)C1 133342109 343916245 /nfs/dbraw/zinc/91/62/45/343916245.db2.gz BARVFCVCXQNVNL-QMMMGPOBSA-N 2 2 188.340 1.161 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCSC(C)(C)C1 133342109 343916247 /nfs/dbraw/zinc/91/62/47/343916247.db2.gz BARVFCVCXQNVNL-QMMMGPOBSA-N 2 2 188.340 1.161 20 0 ADADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC2(C)C)C1 134281046 343938590 /nfs/dbraw/zinc/93/85/90/343938590.db2.gz BLLGQSYUNSMOLP-UWVGGRQHSA-N 2 2 182.311 1.469 20 0 ADADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC2(C)C)C1 134281046 343938591 /nfs/dbraw/zinc/93/85/91/343938591.db2.gz BLLGQSYUNSMOLP-UWVGGRQHSA-N 2 2 182.311 1.469 20 0 ADADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC2(C)C)C1 134281005 343938606 /nfs/dbraw/zinc/93/86/06/343938606.db2.gz BLLGQSYUNSMOLP-ZJUUUORDSA-N 2 2 182.311 1.469 20 0 ADADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC2(C)C)C1 134281005 343938607 /nfs/dbraw/zinc/93/86/07/343938607.db2.gz BLLGQSYUNSMOLP-ZJUUUORDSA-N 2 2 182.311 1.469 20 0 ADADLP CC[C@H]1CCCCC[N@@H+]1C[C@H](C)[NH3+] 134357242 343941147 /nfs/dbraw/zinc/94/11/47/343941147.db2.gz AHRKOWUCLPNNEQ-QWRGUYRKSA-N 2 2 184.327 1.988 20 0 ADADLP CC[C@H]1CCCCC[N@H+]1C[C@H](C)[NH3+] 134357242 343941149 /nfs/dbraw/zinc/94/11/49/343941149.db2.gz AHRKOWUCLPNNEQ-QWRGUYRKSA-N 2 2 184.327 1.988 20 0 ADADLP CC[C@@H]1CCCCC[N@@H+]1C[C@H](C)[NH3+] 134357221 343941226 /nfs/dbraw/zinc/94/12/26/343941226.db2.gz AHRKOWUCLPNNEQ-WDEREUQCSA-N 2 2 184.327 1.988 20 0 ADADLP CC[C@@H]1CCCCC[N@H+]1C[C@H](C)[NH3+] 134357221 343941227 /nfs/dbraw/zinc/94/12/27/343941227.db2.gz AHRKOWUCLPNNEQ-WDEREUQCSA-N 2 2 184.327 1.988 20 0 ADADLP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](C)[NH3+] 136071645 343974401 /nfs/dbraw/zinc/97/44/01/343974401.db2.gz OOJGZTMJGJFZOH-KXUCPTDWSA-N 2 2 170.300 1.597 20 0 ADADLP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](C)[NH3+] 136071645 343974403 /nfs/dbraw/zinc/97/44/03/343974403.db2.gz OOJGZTMJGJFZOH-KXUCPTDWSA-N 2 2 170.300 1.597 20 0 ADADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](C)[NH3+] 136071719 343974473 /nfs/dbraw/zinc/97/44/73/343974473.db2.gz OOJGZTMJGJFZOH-OPRDCNLKSA-N 2 2 170.300 1.597 20 0 ADADLP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](C)[NH3+] 136071719 343974475 /nfs/dbraw/zinc/97/44/75/343974475.db2.gz OOJGZTMJGJFZOH-OPRDCNLKSA-N 2 2 170.300 1.597 20 0 ADADLP FC1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 137277058 343984721 /nfs/dbraw/zinc/98/47/21/343984721.db2.gz VVGABNUXSPBSSP-SNVBAGLBSA-N 2 2 186.274 1.172 20 0 ADADLP Cc1cc[nH+]c(N2CC[NH+](C)CC2)c1 141983432 344009184 /nfs/dbraw/zinc/00/91/84/344009184.db2.gz ZVDSNSHPCVKFOJ-UHFFFAOYSA-N 2 2 191.278 1.142 20 0 ADADLP CCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 143991071 344023453 /nfs/dbraw/zinc/02/34/53/344023453.db2.gz SBTHRZRERPWBNT-GFCCVEGCSA-N 2 2 196.338 1.957 20 0 ADADLP CCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 143991071 344023455 /nfs/dbraw/zinc/02/34/55/344023455.db2.gz SBTHRZRERPWBNT-GFCCVEGCSA-N 2 2 196.338 1.957 20 0 ADADLP CC[N@@H+]1C[C@@H]([NH3+])[C@H](c2ccccc2)C1 147482514 344044408 /nfs/dbraw/zinc/04/44/08/344044408.db2.gz QWDHCOJZPNBTGP-NWDGAFQWSA-N 2 2 190.290 1.433 20 0 ADADLP CC[N@H+]1C[C@@H]([NH3+])[C@H](c2ccccc2)C1 147482514 344044410 /nfs/dbraw/zinc/04/44/10/344044410.db2.gz QWDHCOJZPNBTGP-NWDGAFQWSA-N 2 2 190.290 1.433 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C)CC1 156541391 344089833 /nfs/dbraw/zinc/08/98/33/344089833.db2.gz RHWJOQBYOZRXMY-UWVGGRQHSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](C)CC1 156541391 344089837 /nfs/dbraw/zinc/08/98/37/344089837.db2.gz RHWJOQBYOZRXMY-UWVGGRQHSA-N 2 2 170.300 1.456 20 0 ADADLP CC(C)[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+] 156545084 344090892 /nfs/dbraw/zinc/09/08/92/344090892.db2.gz ZYGKTKJULAGNEL-UWVGGRQHSA-N 2 2 170.300 1.454 20 0 ADADLP CC(C)[C@@H]1CCC[N@@H+]1C[C@H](C)[NH3+] 156545084 344090893 /nfs/dbraw/zinc/09/08/93/344090893.db2.gz ZYGKTKJULAGNEL-UWVGGRQHSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](C)[NH3+] 156547767 344090961 /nfs/dbraw/zinc/09/09/61/344090961.db2.gz OOJGZTMJGJFZOH-IVZWLZJFSA-N 2 2 170.300 1.597 20 0 ADADLP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](C)[NH3+] 156547767 344090963 /nfs/dbraw/zinc/09/09/63/344090963.db2.gz OOJGZTMJGJFZOH-IVZWLZJFSA-N 2 2 170.300 1.597 20 0 ADADLP Cc1ccoc1C[NH2+]CCC[NH+](C)C 157329693 344103540 /nfs/dbraw/zinc/10/35/40/344103540.db2.gz CVYISPSRFQCQMN-UHFFFAOYSA-N 2 2 196.294 1.629 20 0 ADADLP C[C@H]1C[C@H]([NH2+]CCF)CC[N@@H+]1C 158181251 344120553 /nfs/dbraw/zinc/12/05/53/344120553.db2.gz MHZFSBOEDWASPV-DTWKUNHWSA-N 2 2 174.263 1.028 20 0 ADADLP C[C@H]1C[C@H]([NH2+]CCF)CC[N@H+]1C 158181251 344120555 /nfs/dbraw/zinc/12/05/55/344120555.db2.gz MHZFSBOEDWASPV-DTWKUNHWSA-N 2 2 174.263 1.028 20 0 ADADLP C[C@@H]1C[C@@H]([NH2+]CCF)CC[N@@H+]1C 158181394 344120732 /nfs/dbraw/zinc/12/07/32/344120732.db2.gz MHZFSBOEDWASPV-BDAKNGLRSA-N 2 2 174.263 1.028 20 0 ADADLP C[C@@H]1C[C@@H]([NH2+]CCF)CC[N@H+]1C 158181394 344120734 /nfs/dbraw/zinc/12/07/34/344120734.db2.gz MHZFSBOEDWASPV-BDAKNGLRSA-N 2 2 174.263 1.028 20 0 ADADLP C[C@@H]1C[C@H]([NH2+]CCF)CC[N@@H+]1C 158181094 344120830 /nfs/dbraw/zinc/12/08/30/344120830.db2.gz MHZFSBOEDWASPV-RKDXNWHRSA-N 2 2 174.263 1.028 20 0 ADADLP C[C@@H]1C[C@H]([NH2+]CCF)CC[N@H+]1C 158181094 344120832 /nfs/dbraw/zinc/12/08/32/344120832.db2.gz MHZFSBOEDWASPV-RKDXNWHRSA-N 2 2 174.263 1.028 20 0 ADADLP CC[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])CC1 158484609 344127497 /nfs/dbraw/zinc/12/74/97/344127497.db2.gz UCXPGPITQJYIMS-QWRGUYRKSA-N 2 2 184.327 1.846 20 0 ADADLP CC[C@H]1CCC[N@H+](C[C@H](C)[NH3+])CC1 158484609 344127496 /nfs/dbraw/zinc/12/74/96/344127496.db2.gz UCXPGPITQJYIMS-QWRGUYRKSA-N 2 2 184.327 1.846 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C1CCCC1 158479720 344127564 /nfs/dbraw/zinc/12/75/64/344127564.db2.gz XOIMGFMWBZQNLS-JQWIXIFHSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C1CCCC1 158479720 344127566 /nfs/dbraw/zinc/12/75/66/344127566.db2.gz XOIMGFMWBZQNLS-JQWIXIFHSA-N 2 2 196.338 1.988 20 0 ADADLP CC[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])CC1 158484473 344127588 /nfs/dbraw/zinc/12/75/88/344127588.db2.gz UCXPGPITQJYIMS-WDEREUQCSA-N 2 2 184.327 1.846 20 0 ADADLP CC[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])CC1 158484473 344127590 /nfs/dbraw/zinc/12/75/90/344127590.db2.gz UCXPGPITQJYIMS-WDEREUQCSA-N 2 2 184.327 1.846 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCC[C@@H](C)C1 158475262 344127614 /nfs/dbraw/zinc/12/76/14/344127614.db2.gz DXJNAFJOTOOVTQ-VWYCJHECSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 158475262 344127615 /nfs/dbraw/zinc/12/76/15/344127615.db2.gz DXJNAFJOTOOVTQ-VWYCJHECSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCC[C@H](C)C1 158475410 344127693 /nfs/dbraw/zinc/12/76/93/344127693.db2.gz DXJNAFJOTOOVTQ-DCAQKATOSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCC[C@H](C)C1 158475410 344127696 /nfs/dbraw/zinc/12/76/96/344127696.db2.gz DXJNAFJOTOOVTQ-DCAQKATOSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 158473174 344127716 /nfs/dbraw/zinc/12/77/16/344127716.db2.gz DDMAFAWOBFPRTG-SRVKXCTJSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 158473174 344127719 /nfs/dbraw/zinc/12/77/19/344127719.db2.gz DDMAFAWOBFPRTG-SRVKXCTJSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 158475545 344127773 /nfs/dbraw/zinc/12/77/73/344127773.db2.gz DXJNAFJOTOOVTQ-OUAUKWLOSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 158475545 344127776 /nfs/dbraw/zinc/12/77/76/344127776.db2.gz DXJNAFJOTOOVTQ-OUAUKWLOSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCC[C@H](C)C1 158475696 344127958 /nfs/dbraw/zinc/12/79/58/344127958.db2.gz DXJNAFJOTOOVTQ-GARJFASQSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 158475696 344127961 /nfs/dbraw/zinc/12/79/61/344127961.db2.gz DXJNAFJOTOOVTQ-GARJFASQSA-N 2 2 184.327 1.844 20 0 ADADLP CCSCC[N@H+](C)[C@H]1CC[NH2+]C1 158574117 344128825 /nfs/dbraw/zinc/12/88/25/344128825.db2.gz WMMOLFIDQWJRGR-VIFPVBQESA-N 2 2 188.340 1.033 20 0 ADADLP CCSCC[N@@H+](C)[C@H]1CC[NH2+]C1 158574117 344128828 /nfs/dbraw/zinc/12/88/28/344128828.db2.gz WMMOLFIDQWJRGR-VIFPVBQESA-N 2 2 188.340 1.033 20 0 ADADLP CCSCC[N@@H+]1CC[C@@H]([NH2+]C)C1 158557737 344128942 /nfs/dbraw/zinc/12/89/42/344128942.db2.gz NBFMNSALXHXRSY-SECBINFHSA-N 2 2 188.340 1.033 20 0 ADADLP CCSCC[N@H+]1CC[C@@H]([NH2+]C)C1 158557737 344128944 /nfs/dbraw/zinc/12/89/44/344128944.db2.gz NBFMNSALXHXRSY-SECBINFHSA-N 2 2 188.340 1.033 20 0 ADADLP CCSCC[N@@H+]1CCC[C@@H]([NH3+])C1 158561799 344129092 /nfs/dbraw/zinc/12/90/92/344129092.db2.gz KECUQSFUJISWEI-SECBINFHSA-N 2 2 188.340 1.163 20 0 ADADLP CCSCC[N@H+]1CCC[C@@H]([NH3+])C1 158561799 344129095 /nfs/dbraw/zinc/12/90/95/344129095.db2.gz KECUQSFUJISWEI-SECBINFHSA-N 2 2 188.340 1.163 20 0 ADADLP CCSCC[N@@H+]1CCC[C@H]([NH3+])C1 158561658 344129168 /nfs/dbraw/zinc/12/91/68/344129168.db2.gz KECUQSFUJISWEI-VIFPVBQESA-N 2 2 188.340 1.163 20 0 ADADLP CCSCC[N@H+]1CCC[C@H]([NH3+])C1 158561658 344129171 /nfs/dbraw/zinc/12/91/71/344129171.db2.gz KECUQSFUJISWEI-VIFPVBQESA-N 2 2 188.340 1.163 20 0 ADADLP CCSCC[N@H+]1CC[C@H]([NH2+]C)C1 158557595 344129255 /nfs/dbraw/zinc/12/92/55/344129255.db2.gz NBFMNSALXHXRSY-VIFPVBQESA-N 2 2 188.340 1.033 20 0 ADADLP C[C@H]1C[C@H]([NH2+]C2CCC2)C[N@@H+]1C1CC1 160854563 344178683 /nfs/dbraw/zinc/17/86/83/344178683.db2.gz OMDPNRASHVTPCZ-ONGXEEELSA-N 2 2 194.322 1.754 20 0 ADADLP C[C@H]1C[C@H]([NH2+]C2CCC2)C[N@H+]1C1CC1 160854563 344178685 /nfs/dbraw/zinc/17/86/85/344178685.db2.gz OMDPNRASHVTPCZ-ONGXEEELSA-N 2 2 194.322 1.754 20 0 ADADLP C[C@@H]1C[C@H]([NH2+]C2CCC2)C[N@@H+]1C1CC1 160854477 344178826 /nfs/dbraw/zinc/17/88/26/344178826.db2.gz OMDPNRASHVTPCZ-KOLCDFICSA-N 2 2 194.322 1.754 20 0 ADADLP C[C@@H]1C[C@H]([NH2+]C2CCC2)C[N@H+]1C1CC1 160854477 344178829 /nfs/dbraw/zinc/17/88/29/344178829.db2.gz OMDPNRASHVTPCZ-KOLCDFICSA-N 2 2 194.322 1.754 20 0 ADADLP C[C@H]1C[C@@H]([NH2+]C2CCC2)C[N@@H+]1C1CC1 160854784 344179007 /nfs/dbraw/zinc/17/90/07/344179007.db2.gz OMDPNRASHVTPCZ-GXSJLCMTSA-N 2 2 194.322 1.754 20 0 ADADLP C[C@H]1C[C@@H]([NH2+]C2CCC2)C[N@H+]1C1CC1 160854784 344179008 /nfs/dbraw/zinc/17/90/08/344179008.db2.gz OMDPNRASHVTPCZ-GXSJLCMTSA-N 2 2 194.322 1.754 20 0 ADADLP C[C@@H]1C[C@@H]([NH2+]C2CCC2)C[N@@H+]1C1CC1 160854666 344179039 /nfs/dbraw/zinc/17/90/39/344179039.db2.gz OMDPNRASHVTPCZ-MWLCHTKSSA-N 2 2 194.322 1.754 20 0 ADADLP C[C@@H]1C[C@@H]([NH2+]C2CCC2)C[N@H+]1C1CC1 160854666 344179040 /nfs/dbraw/zinc/17/90/40/344179040.db2.gz OMDPNRASHVTPCZ-MWLCHTKSSA-N 2 2 194.322 1.754 20 0 ADADLP CC1CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 161789901 344197914 /nfs/dbraw/zinc/19/79/14/344197914.db2.gz HGPSIUWKAXPNRX-YVNMAJEFSA-N 2 2 194.322 1.611 20 0 ADADLP CC1CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 161789901 344197917 /nfs/dbraw/zinc/19/79/17/344197917.db2.gz HGPSIUWKAXPNRX-YVNMAJEFSA-N 2 2 194.322 1.611 20 0 ADADLP CC1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 161789791 344198102 /nfs/dbraw/zinc/19/81/02/344198102.db2.gz HGPSIUWKAXPNRX-HSOILSAZSA-N 2 2 194.322 1.611 20 0 ADADLP CC1CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 161789791 344198106 /nfs/dbraw/zinc/19/81/06/344198106.db2.gz HGPSIUWKAXPNRX-HSOILSAZSA-N 2 2 194.322 1.611 20 0 ADADLP Cc1ccc(N[C@@H]2CCC[NH2+]C2)c[nH+]1 164554359 344246264 /nfs/dbraw/zinc/24/62/64/344246264.db2.gz RBDSAUJIYCGAFQ-SNVBAGLBSA-N 2 2 191.278 1.554 20 0 ADADLP Cc1ccc(N[C@H]2CCC[NH2+]C2)c[nH+]1 164554475 344246285 /nfs/dbraw/zinc/24/62/85/344246285.db2.gz RBDSAUJIYCGAFQ-JTQLQIEISA-N 2 2 191.278 1.554 20 0 ADADLP Cc1ccc(N[C@H]2CC[NH2+]C2)c[nH+]1 164560040 344246666 /nfs/dbraw/zinc/24/66/66/344246666.db2.gz CZMZBIJAMJOBAY-JTQLQIEISA-N 2 2 177.251 1.164 20 0 ADADLP Cc1ccc(N[C@@H]2CC[NH2+]C2)c[nH+]1 164559910 344246861 /nfs/dbraw/zinc/24/68/61/344246861.db2.gz CZMZBIJAMJOBAY-SNVBAGLBSA-N 2 2 177.251 1.164 20 0 ADADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 165268048 344260909 /nfs/dbraw/zinc/26/09/09/344260909.db2.gz KDIYWSLSMVFJRB-MWLCHTKSSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 165268048 344260911 /nfs/dbraw/zinc/26/09/11/344260911.db2.gz KDIYWSLSMVFJRB-MWLCHTKSSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 165267931 344260997 /nfs/dbraw/zinc/26/09/97/344260997.db2.gz KDIYWSLSMVFJRB-GXSJLCMTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 165267931 344260998 /nfs/dbraw/zinc/26/09/98/344260998.db2.gz KDIYWSLSMVFJRB-GXSJLCMTSA-N 2 2 182.311 1.469 20 0 ADADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc[nH]c1 165661577 344267576 /nfs/dbraw/zinc/26/75/76/344267576.db2.gz AHHIDSCNNHNTOG-LLVKDONJSA-N 2 2 193.294 1.199 20 0 ADADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc[nH]c1 165661577 344267578 /nfs/dbraw/zinc/26/75/78/344267578.db2.gz AHHIDSCNNHNTOG-LLVKDONJSA-N 2 2 193.294 1.199 20 0 ADADLP C[C@@H]([NH3+])C[NH+]1CCC(F)(F)CC1 166719176 344287874 /nfs/dbraw/zinc/28/78/74/344287874.db2.gz LUEJBEPNHOOFFL-SSDOTTSWSA-N 2 2 178.226 1.065 20 0 ADADLP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 166877095 344291714 /nfs/dbraw/zinc/29/17/14/344291714.db2.gz VNPFCGYXTIGVAT-WDEREUQCSA-N 2 2 184.327 1.715 20 0 ADADLP CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 166879639 344291707 /nfs/dbraw/zinc/29/17/07/344291707.db2.gz AVWRTYBLIBJEPB-WDEREUQCSA-N 2 2 184.327 1.859 20 0 ADADLP CCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 166879639 344291709 /nfs/dbraw/zinc/29/17/09/344291709.db2.gz AVWRTYBLIBJEPB-WDEREUQCSA-N 2 2 184.327 1.859 20 0 ADADLP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 166877095 344291716 /nfs/dbraw/zinc/29/17/16/344291716.db2.gz VNPFCGYXTIGVAT-WDEREUQCSA-N 2 2 184.327 1.715 20 0 ADADLP CCC(CC)[NH2+]C[C@H]1CCC[N@@H+]1C 166884810 344291749 /nfs/dbraw/zinc/29/17/49/344291749.db2.gz BTGNATOCQYSKRR-LLVKDONJSA-N 2 2 184.327 1.859 20 0 ADADLP CCC(CC)[NH2+]C[C@H]1CCC[N@H+]1C 166884810 344291753 /nfs/dbraw/zinc/29/17/53/344291753.db2.gz BTGNATOCQYSKRR-LLVKDONJSA-N 2 2 184.327 1.859 20 0 ADADLP CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 166879561 344291862 /nfs/dbraw/zinc/29/18/62/344291862.db2.gz AVWRTYBLIBJEPB-GHMZBOCLSA-N 2 2 184.327 1.859 20 0 ADADLP CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 166879561 344291865 /nfs/dbraw/zinc/29/18/65/344291865.db2.gz AVWRTYBLIBJEPB-GHMZBOCLSA-N 2 2 184.327 1.859 20 0 ADADLP CC(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 166876995 344291881 /nfs/dbraw/zinc/29/18/81/344291881.db2.gz VNPFCGYXTIGVAT-GHMZBOCLSA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 166876995 344291884 /nfs/dbraw/zinc/29/18/84/344291884.db2.gz VNPFCGYXTIGVAT-GHMZBOCLSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CCC[N@@H+]1C 166881851 344291909 /nfs/dbraw/zinc/29/19/09/344291909.db2.gz STLIYVFLXPXBMA-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CCC[N@H+]1C 166881851 344291912 /nfs/dbraw/zinc/29/19/12/344291912.db2.gz STLIYVFLXPXBMA-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CCC[N@@H+]1C 166881961 344291939 /nfs/dbraw/zinc/29/19/39/344291939.db2.gz STLIYVFLXPXBMA-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CCC[N@H+]1C 166881961 344291940 /nfs/dbraw/zinc/29/19/40/344291940.db2.gz STLIYVFLXPXBMA-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 166886704 344292087 /nfs/dbraw/zinc/29/20/87/344292087.db2.gz ZAXQYDOTHOIWBD-NEPJUHHUSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 166886704 344292089 /nfs/dbraw/zinc/29/20/89/344292089.db2.gz ZAXQYDOTHOIWBD-NEPJUHHUSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 166886824 344292204 /nfs/dbraw/zinc/29/22/04/344292204.db2.gz ZAXQYDOTHOIWBD-VXGBXAGGSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 166886824 344292207 /nfs/dbraw/zinc/29/22/07/344292207.db2.gz ZAXQYDOTHOIWBD-VXGBXAGGSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 205778776 344374880 /nfs/dbraw/zinc/37/48/80/344374880.db2.gz YESVOCGKESIJME-JTQLQIEISA-N 2 2 179.267 1.225 20 0 ADADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 205778776 344374882 /nfs/dbraw/zinc/37/48/82/344374882.db2.gz YESVOCGKESIJME-JTQLQIEISA-N 2 2 179.267 1.225 20 0 ADADLP C[C@H]([NH3+])C[NH+]1CCC(F)(F)CC1 217483024 344401855 /nfs/dbraw/zinc/40/18/55/344401855.db2.gz LUEJBEPNHOOFFL-ZETCQYMHSA-N 2 2 178.226 1.065 20 0 ADADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 218743892 344415758 /nfs/dbraw/zinc/41/57/58/344415758.db2.gz JWGFPUVDOJVBDM-VXGBXAGGSA-N 2 2 194.322 1.636 20 0 ADADLP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 218743892 344415759 /nfs/dbraw/zinc/41/57/59/344415759.db2.gz JWGFPUVDOJVBDM-VXGBXAGGSA-N 2 2 194.322 1.636 20 0 ADADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 218743941 344415794 /nfs/dbraw/zinc/41/57/94/344415794.db2.gz JWGFPUVDOJVBDM-NEPJUHHUSA-N 2 2 194.322 1.636 20 0 ADADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 218743941 344415795 /nfs/dbraw/zinc/41/57/95/344415795.db2.gz JWGFPUVDOJVBDM-NEPJUHHUSA-N 2 2 194.322 1.636 20 0 ADADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)C[C@@H]1C 219682566 344426930 /nfs/dbraw/zinc/42/69/30/344426930.db2.gz GGKXRVNVBOBMCS-OUAUKWLOSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]2)C[C@@H]1C 219682566 344426933 /nfs/dbraw/zinc/42/69/33/344426933.db2.gz GGKXRVNVBOBMCS-OUAUKWLOSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@H]1C[NH+](C[C@H]2CCC[NH2+]2)C[C@@H]1C 219682656 344427043 /nfs/dbraw/zinc/42/70/43/344427043.db2.gz GGKXRVNVBOBMCS-GARJFASQSA-N 2 2 182.311 1.326 20 0 ADADLP [NH3+]CC[N@@H+]1CCCC(F)(F)CC1 220764080 344434691 /nfs/dbraw/zinc/43/46/91/344434691.db2.gz PVGGZVPFTHQGNU-UHFFFAOYSA-N 2 2 178.226 1.066 20 0 ADADLP [NH3+]CC[N@H+]1CCCC(F)(F)CC1 220764080 344434695 /nfs/dbraw/zinc/43/46/95/344434695.db2.gz PVGGZVPFTHQGNU-UHFFFAOYSA-N 2 2 178.226 1.066 20 0 ADADLP C[C@]1([NH2+]Cc2c[nH+]c[nH]2)CCCOC1 221348916 344442350 /nfs/dbraw/zinc/44/23/50/344442350.db2.gz VNPUIVAFSKMPPX-JTQLQIEISA-N 2 2 195.266 1.068 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCS[C@@H](C)[C@@H]1C 222023897 344448553 /nfs/dbraw/zinc/44/85/53/344448553.db2.gz DGHFTGZONROPTN-CIUDSAMLSA-N 2 2 188.340 1.159 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCS[C@@H](C)[C@@H]1C 222023897 344448556 /nfs/dbraw/zinc/44/85/56/344448556.db2.gz DGHFTGZONROPTN-CIUDSAMLSA-N 2 2 188.340 1.159 20 0 ADADLP C[C@@H](C[NH2+]CC1CC1)[N@H+](C)C1CC1 222094910 344449132 /nfs/dbraw/zinc/44/91/32/344449132.db2.gz GVJJZTOPLOPIAJ-VIFPVBQESA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H](C[NH2+]CC1CC1)[N@@H+](C)C1CC1 222094910 344449134 /nfs/dbraw/zinc/44/91/34/344449134.db2.gz GVJJZTOPLOPIAJ-VIFPVBQESA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H](C[NH2+]CC1CC1)[N@H+](C)C1CC1 222094968 344449238 /nfs/dbraw/zinc/44/92/38/344449238.db2.gz GVJJZTOPLOPIAJ-SECBINFHSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H](C[NH2+]CC1CC1)[N@@H+](C)C1CC1 222094968 344449242 /nfs/dbraw/zinc/44/92/42/344449242.db2.gz GVJJZTOPLOPIAJ-SECBINFHSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H]([NH3+])C1 224982457 344475061 /nfs/dbraw/zinc/47/50/61/344475061.db2.gz DUYNOFDJUOGFNY-GXSJLCMTSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@@H](c1ccncc1)[N@H+]1CC[C@@H]([NH3+])C1 224982457 344475064 /nfs/dbraw/zinc/47/50/64/344475064.db2.gz DUYNOFDJUOGFNY-GXSJLCMTSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H]([NH3+])C1 224982489 344475218 /nfs/dbraw/zinc/47/52/18/344475218.db2.gz DUYNOFDJUOGFNY-MWLCHTKSSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@H](c1ccncc1)[N@H+]1CC[C@@H]([NH3+])C1 224982489 344475220 /nfs/dbraw/zinc/47/52/20/344475220.db2.gz DUYNOFDJUOGFNY-MWLCHTKSSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C1)[NH+](C)C 227199804 344525095 /nfs/dbraw/zinc/52/50/95/344525095.db2.gz LAANARQTFHZXMO-VWYCJHECSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C1)[NH+](C)C 227199796 344525181 /nfs/dbraw/zinc/52/51/81/344525181.db2.gz LAANARQTFHZXMO-OUAUKWLOSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 227648682 344541657 /nfs/dbraw/zinc/54/16/57/344541657.db2.gz DCOIBVYGZIUIFT-VHSXEESVSA-N 2 2 168.284 1.080 20 0 ADADLP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 227648682 344541660 /nfs/dbraw/zinc/54/16/60/344541660.db2.gz DCOIBVYGZIUIFT-VHSXEESVSA-N 2 2 168.284 1.080 20 0 ADADLP CC[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 227648576 344541696 /nfs/dbraw/zinc/54/16/96/344541696.db2.gz QUOUNHGNVYGPAD-NWDGAFQWSA-N 2 2 196.338 1.860 20 0 ADADLP CC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 227648576 344541697 /nfs/dbraw/zinc/54/16/97/344541697.db2.gz QUOUNHGNVYGPAD-NWDGAFQWSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H]1C[C@@H](C)C[N@H+](C[C@H]2CCC[NH2+]2)C1 227648318 344541738 /nfs/dbraw/zinc/54/17/38/344541738.db2.gz UHKQOOCREVBMHN-GRYCIOLGSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1C[C@@H](C)C[N@@H+](C[C@H]2CCC[NH2+]2)C1 227648318 344541741 /nfs/dbraw/zinc/54/17/41/344541741.db2.gz UHKQOOCREVBMHN-GRYCIOLGSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CCC[NH2+]2)C1 227648312 344541778 /nfs/dbraw/zinc/54/17/78/344541778.db2.gz UHKQOOCREVBMHN-IJLUTSLNSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 227648678 344541824 /nfs/dbraw/zinc/54/18/24/344541824.db2.gz DCOIBVYGZIUIFT-NXEZZACHSA-N 2 2 168.284 1.080 20 0 ADADLP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 227648678 344541826 /nfs/dbraw/zinc/54/18/26/344541826.db2.gz DCOIBVYGZIUIFT-NXEZZACHSA-N 2 2 168.284 1.080 20 0 ADADLP CC[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 227648571 344541899 /nfs/dbraw/zinc/54/18/99/344541899.db2.gz QUOUNHGNVYGPAD-VXGBXAGGSA-N 2 2 196.338 1.860 20 0 ADADLP CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 227648571 344541901 /nfs/dbraw/zinc/54/19/01/344541901.db2.gz QUOUNHGNVYGPAD-VXGBXAGGSA-N 2 2 196.338 1.860 20 0 ADADLP CC(C)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 227649899 344542159 /nfs/dbraw/zinc/54/21/59/344542159.db2.gz VXIMZPGQUSEIOC-NEPJUHHUSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 227649899 344542160 /nfs/dbraw/zinc/54/21/60/344542160.db2.gz VXIMZPGQUSEIOC-NEPJUHHUSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCC[NH2+]1 227650581 344542216 /nfs/dbraw/zinc/54/22/16/344542216.db2.gz QVGGFLCYXPQYLP-OUAUKWLOSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CCC[NH2+]1 227650581 344542217 /nfs/dbraw/zinc/54/22/17/344542217.db2.gz QVGGFLCYXPQYLP-OUAUKWLOSA-N 2 2 182.311 1.469 20 0 ADADLP CC(C)[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 227649904 344542220 /nfs/dbraw/zinc/54/22/20/344542220.db2.gz VXIMZPGQUSEIOC-VXGBXAGGSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 227649904 344542222 /nfs/dbraw/zinc/54/22/22/344542222.db2.gz VXIMZPGQUSEIOC-VXGBXAGGSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1C[NH+](C[C@H]2CCC[NH2+]2)C[C@H]1C 227650056 344542322 /nfs/dbraw/zinc/54/23/22/344542322.db2.gz GGKXRVNVBOBMCS-GMTAPVOTSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)CC1 227649626 344542329 /nfs/dbraw/zinc/54/23/29/344542329.db2.gz ULJULWWMJCORMR-VXGBXAGGSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)CC1 227649626 344542330 /nfs/dbraw/zinc/54/23/30/344542330.db2.gz ULJULWWMJCORMR-VXGBXAGGSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CCC[NH2+]2)C1 227650572 344542342 /nfs/dbraw/zinc/54/23/42/344542342.db2.gz QVGGFLCYXPQYLP-GMTAPVOTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]2)C1 227650572 344542344 /nfs/dbraw/zinc/54/23/44/344542344.db2.gz QVGGFLCYXPQYLP-GMTAPVOTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1C[C@H](C)[N@H+](C[C@H]2CCC[NH2+]2)C1 227650586 344542351 /nfs/dbraw/zinc/54/23/51/344542351.db2.gz QVGGFLCYXPQYLP-GARJFASQSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1C[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]2)C1 227650586 344542354 /nfs/dbraw/zinc/54/23/54/344542354.db2.gz QVGGFLCYXPQYLP-GARJFASQSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1C[C@@H](C)[N@H+](C[C@H]2CCC[NH2+]2)C1 227650576 344542368 /nfs/dbraw/zinc/54/23/68/344542368.db2.gz QVGGFLCYXPQYLP-HBNTYKKESA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1C[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]2)C1 227650576 344542372 /nfs/dbraw/zinc/54/23/72/344542372.db2.gz QVGGFLCYXPQYLP-HBNTYKKESA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)CC1 227649634 344542413 /nfs/dbraw/zinc/54/24/13/344542413.db2.gz ULJULWWMJCORMR-NWDGAFQWSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)CC1 227649634 344542416 /nfs/dbraw/zinc/54/24/16/344542416.db2.gz ULJULWWMJCORMR-NWDGAFQWSA-N 2 2 196.338 1.860 20 0 ADADLP CC1CC([NH2+]C[C@H]2CCC[N@@H+]2C)C1 231787746 344660468 /nfs/dbraw/zinc/66/04/68/344660468.db2.gz FWVFBZNYTJTOPX-VQXHTEKXSA-N 2 2 182.311 1.469 20 0 ADADLP CC1CC([NH2+]C[C@H]2CCC[N@H+]2C)C1 231787746 344660471 /nfs/dbraw/zinc/66/04/71/344660471.db2.gz FWVFBZNYTJTOPX-VQXHTEKXSA-N 2 2 182.311 1.469 20 0 ADADLP CCSCC[N@H+](CC)CC[NH3+] 231821487 344662013 /nfs/dbraw/zinc/66/20/13/344662013.db2.gz PFYPRBKDCPOFMV-UHFFFAOYSA-N 2 2 176.329 1.020 20 0 ADADLP CCSCC[N@@H+](CC)CC[NH3+] 231821487 344662016 /nfs/dbraw/zinc/66/20/16/344662016.db2.gz PFYPRBKDCPOFMV-UHFFFAOYSA-N 2 2 176.329 1.020 20 0 ADADLP C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1[NH3+] 235359600 344746152 /nfs/dbraw/zinc/74/61/52/344746152.db2.gz FCQSMEXQWWYVRB-RQJHMYQMSA-N 2 2 196.216 1.218 20 0 ADADLP C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1[NH3+] 235359600 344746155 /nfs/dbraw/zinc/74/61/55/344746155.db2.gz FCQSMEXQWWYVRB-RQJHMYQMSA-N 2 2 196.216 1.218 20 0 ADADLP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2occc21 235463565 344750541 /nfs/dbraw/zinc/75/05/41/344750541.db2.gz HZJCOGYEAINPDP-SCZZXKLOSA-N 2 2 194.278 1.594 20 0 ADADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2occc21 235460394 344750751 /nfs/dbraw/zinc/75/07/51/344750751.db2.gz HZJCOGYEAINPDP-PSASIEDQSA-N 2 2 194.278 1.594 20 0 ADADLP C[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1[NH3+] 235582635 344757608 /nfs/dbraw/zinc/75/76/08/344757608.db2.gz FCQSMEXQWWYVRB-BQBZGAKWSA-N 2 2 196.216 1.218 20 0 ADADLP C[C@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1[NH3+] 235582635 344757609 /nfs/dbraw/zinc/75/76/09/344757609.db2.gz FCQSMEXQWWYVRB-BQBZGAKWSA-N 2 2 196.216 1.218 20 0 ADADLP CCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 249868915 344828040 /nfs/dbraw/zinc/82/80/40/344828040.db2.gz CAEGIYPIGQFWJI-VHSXEESVSA-N 2 2 170.300 1.598 20 0 ADADLP CCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 249868915 344828042 /nfs/dbraw/zinc/82/80/42/344828042.db2.gz CAEGIYPIGQFWJI-VHSXEESVSA-N 2 2 170.300 1.598 20 0 ADADLP CCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] 249868912 344828067 /nfs/dbraw/zinc/82/80/67/344828067.db2.gz CAEGIYPIGQFWJI-UWVGGRQHSA-N 2 2 170.300 1.598 20 0 ADADLP CCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] 249868912 344828068 /nfs/dbraw/zinc/82/80/68/344828068.db2.gz CAEGIYPIGQFWJI-UWVGGRQHSA-N 2 2 170.300 1.598 20 0 ADADLP CC[N@@H+]1CC[C@H]([NH3+])[C@H]1c1cccs1 250215410 344830723 /nfs/dbraw/zinc/83/07/23/344830723.db2.gz DDDDDNPINLXNKL-WPRPVWTQSA-N 2 2 196.319 1.842 20 0 ADADLP CC[N@H+]1CC[C@H]([NH3+])[C@H]1c1cccs1 250215410 344830725 /nfs/dbraw/zinc/83/07/25/344830725.db2.gz DDDDDNPINLXNKL-WPRPVWTQSA-N 2 2 196.319 1.842 20 0 ADADLP CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1ccco1 250226957 344831234 /nfs/dbraw/zinc/83/12/34/344831234.db2.gz FPIHBFXUMDVSOM-SCZZXKLOSA-N 2 2 180.251 1.374 20 0 ADADLP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1c1ccco1 250226957 344831236 /nfs/dbraw/zinc/83/12/36/344831236.db2.gz FPIHBFXUMDVSOM-SCZZXKLOSA-N 2 2 180.251 1.374 20 0 ADADLP C[N@@H+]1C[C@H]([NH3+])C[C@H](c2ccccc2)C1 250627248 344837365 /nfs/dbraw/zinc/83/73/65/344837365.db2.gz QLFBYBVHBWHMAN-NWDGAFQWSA-N 2 2 190.290 1.433 20 0 ADADLP C[N@H+]1C[C@H]([NH3+])C[C@H](c2ccccc2)C1 250627248 344837367 /nfs/dbraw/zinc/83/73/67/344837367.db2.gz QLFBYBVHBWHMAN-NWDGAFQWSA-N 2 2 190.290 1.433 20 0 ADADLP C[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1cccs1 250666411 344839454 /nfs/dbraw/zinc/83/94/54/344839454.db2.gz ZTSQUORXRLFBCX-APPZFPTMSA-N 2 2 182.292 1.452 20 0 ADADLP C[N@H+]1CC[C@@H]([NH3+])[C@H]1c1cccs1 250666411 344839456 /nfs/dbraw/zinc/83/94/56/344839456.db2.gz ZTSQUORXRLFBCX-APPZFPTMSA-N 2 2 182.292 1.452 20 0 ADADLP C[N@@H+]1CC[C@H]([NH3+])[C@H]1c1cccs1 250666413 344839503 /nfs/dbraw/zinc/83/95/03/344839503.db2.gz ZTSQUORXRLFBCX-CBAPKCEASA-N 2 2 182.292 1.452 20 0 ADADLP C[N@H+]1CC[C@H]([NH3+])[C@H]1c1cccs1 250666413 344839505 /nfs/dbraw/zinc/83/95/05/344839505.db2.gz ZTSQUORXRLFBCX-CBAPKCEASA-N 2 2 182.292 1.452 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C(C)(C)C 251132026 344847577 /nfs/dbraw/zinc/84/75/77/344847577.db2.gz UKULXQNPBZMUKP-UWVGGRQHSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[NH+]1C[C@@H](C)S[C@H](C)C1 251666955 344864274 /nfs/dbraw/zinc/86/42/74/344864274.db2.gz LGDLMHSUWAZNNG-DJLDLDEBSA-N 2 2 188.340 1.159 20 0 ADADLP C[C@H]1CCC[C@@H](C)[C@@H]1[NH2+]CC[NH+](C)C 252175856 344890309 /nfs/dbraw/zinc/89/03/09/344890309.db2.gz OYIDMQLHWSQWLK-GDNZZTSVSA-N 2 2 198.354 1.962 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCS[C@@H](C)[C@H]1C 253060613 344925675 /nfs/dbraw/zinc/92/56/75/344925675.db2.gz DGHFTGZONROPTN-YIZRAAEISA-N 2 2 188.340 1.159 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCS[C@@H](C)[C@H]1C 253060613 344925678 /nfs/dbraw/zinc/92/56/78/344925678.db2.gz DGHFTGZONROPTN-YIZRAAEISA-N 2 2 188.340 1.159 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCS[C@H](C)[C@H]1C 253060611 344925736 /nfs/dbraw/zinc/92/57/36/344925736.db2.gz DGHFTGZONROPTN-DJLDLDEBSA-N 2 2 188.340 1.159 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCS[C@H](C)[C@H]1C 253060611 344925737 /nfs/dbraw/zinc/92/57/37/344925737.db2.gz DGHFTGZONROPTN-DJLDLDEBSA-N 2 2 188.340 1.159 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCS[C@H](C)[C@@H]1C 253060612 344925833 /nfs/dbraw/zinc/92/58/33/344925833.db2.gz DGHFTGZONROPTN-XHNCKOQMSA-N 2 2 188.340 1.159 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCS[C@H](C)[C@@H]1C 253060612 344925835 /nfs/dbraw/zinc/92/58/35/344925835.db2.gz DGHFTGZONROPTN-XHNCKOQMSA-N 2 2 188.340 1.159 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 253177377 344929638 /nfs/dbraw/zinc/92/96/38/344929638.db2.gz AVXAYYKTNQUZHK-GRYCIOLGSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 253177377 344929640 /nfs/dbraw/zinc/92/96/40/344929640.db2.gz AVXAYYKTNQUZHK-GRYCIOLGSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 253177378 344929794 /nfs/dbraw/zinc/92/97/94/344929794.db2.gz AVXAYYKTNQUZHK-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 253177378 344929795 /nfs/dbraw/zinc/92/97/95/344929795.db2.gz AVXAYYKTNQUZHK-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1C[N@H+](CCC(F)(F)F)C[C@H]1[NH3+] 300047712 344965985 /nfs/dbraw/zinc/96/59/85/344965985.db2.gz FCQSMEXQWWYVRB-NKWVEPMBSA-N 2 2 196.216 1.218 20 0 ADADLP C[C@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1[NH3+] 300047712 344965987 /nfs/dbraw/zinc/96/59/87/344965987.db2.gz FCQSMEXQWWYVRB-NKWVEPMBSA-N 2 2 196.216 1.218 20 0 ADADLP CC[N@H+](CC[NH3+])[C@@H](C)c1ccccn1 300772654 344995128 /nfs/dbraw/zinc/99/51/28/344995128.db2.gz CZYVRPZDKBCWNG-JTQLQIEISA-N 2 2 193.294 1.423 20 0 ADADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1ccccn1 300772654 344995131 /nfs/dbraw/zinc/99/51/31/344995131.db2.gz CZYVRPZDKBCWNG-JTQLQIEISA-N 2 2 193.294 1.423 20 0 ADADLP CC[N@H+](CC[NH3+])[C@H](C)c1ccccn1 300772655 344995151 /nfs/dbraw/zinc/99/51/51/344995151.db2.gz CZYVRPZDKBCWNG-SNVBAGLBSA-N 2 2 193.294 1.423 20 0 ADADLP CC[N@@H+](CC[NH3+])[C@H](C)c1ccccn1 300772655 344995152 /nfs/dbraw/zinc/99/51/52/344995152.db2.gz CZYVRPZDKBCWNG-SNVBAGLBSA-N 2 2 193.294 1.423 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C1CCC1 306148352 345036824 /nfs/dbraw/zinc/03/68/24/345036824.db2.gz BADCVWFTQYVDSO-ONGXEEELSA-N 2 2 182.311 1.598 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C1CCC1 306148352 345036827 /nfs/dbraw/zinc/03/68/27/345036827.db2.gz BADCVWFTQYVDSO-ONGXEEELSA-N 2 2 182.311 1.598 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C1CCC1 306148349 345036885 /nfs/dbraw/zinc/03/68/85/345036885.db2.gz BADCVWFTQYVDSO-GXSJLCMTSA-N 2 2 182.311 1.598 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C1CCC1 306148349 345036888 /nfs/dbraw/zinc/03/68/88/345036888.db2.gz BADCVWFTQYVDSO-GXSJLCMTSA-N 2 2 182.311 1.598 20 0 ADADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(F)(F)F 306153861 345044120 /nfs/dbraw/zinc/04/41/20/345044120.db2.gz AFNQLNFGWRMOTK-BQBZGAKWSA-N 2 2 196.216 1.360 20 0 ADADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(F)(F)F 306153861 345044122 /nfs/dbraw/zinc/04/41/22/345044122.db2.gz AFNQLNFGWRMOTK-BQBZGAKWSA-N 2 2 196.216 1.360 20 0 ADADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CC(C)(C)C1 306159531 345049789 /nfs/dbraw/zinc/04/97/89/345049789.db2.gz FHZIUHFCKZVMJD-NSHDSACASA-N 2 2 196.338 1.859 20 0 ADADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC(C)(C)C1 306159531 345049787 /nfs/dbraw/zinc/04/97/87/345049787.db2.gz FHZIUHFCKZVMJD-NSHDSACASA-N 2 2 196.338 1.859 20 0 ADADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(C)(C)C1 306159523 345049817 /nfs/dbraw/zinc/04/98/17/345049817.db2.gz FHZIUHFCKZVMJD-LLVKDONJSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(C)(C)C1 306159523 345049820 /nfs/dbraw/zinc/04/98/20/345049820.db2.gz FHZIUHFCKZVMJD-LLVKDONJSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C 306289750 345171968 /nfs/dbraw/zinc/17/19/68/345171968.db2.gz OVRMBHMZCUWCIT-UWVGGRQHSA-N 2 2 184.327 1.572 20 0 ADADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C 306289750 345171970 /nfs/dbraw/zinc/17/19/70/345171970.db2.gz OVRMBHMZCUWCIT-UWVGGRQHSA-N 2 2 184.327 1.572 20 0 ADADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C 306289751 345172051 /nfs/dbraw/zinc/17/20/51/345172051.db2.gz OVRMBHMZCUWCIT-VHSXEESVSA-N 2 2 184.327 1.572 20 0 ADADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C 306289751 345172052 /nfs/dbraw/zinc/17/20/52/345172052.db2.gz OVRMBHMZCUWCIT-VHSXEESVSA-N 2 2 184.327 1.572 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)CCC[C@@H]1C 306313893 345192280 /nfs/dbraw/zinc/19/22/80/345192280.db2.gz OVSASVYNDAKYQP-VWYCJHECSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1C[C@H](C)CCC[C@@H]1C 306313893 345192282 /nfs/dbraw/zinc/19/22/82/345192282.db2.gz OVSASVYNDAKYQP-VWYCJHECSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)CCC[C@H]1C 306313891 345192393 /nfs/dbraw/zinc/19/23/93/345192393.db2.gz OVSASVYNDAKYQP-GARJFASQSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)CCC[C@H]1C 306313891 345192397 /nfs/dbraw/zinc/19/23/97/345192397.db2.gz OVSASVYNDAKYQP-GARJFASQSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)CCC[C@@H]1C 306313890 345192769 /nfs/dbraw/zinc/19/27/69/345192769.db2.gz OVSASVYNDAKYQP-DCAQKATOSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)CCC[C@@H]1C 306313890 345192772 /nfs/dbraw/zinc/19/27/72/345192772.db2.gz OVSASVYNDAKYQP-DCAQKATOSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)CCC[C@H]1C 306313892 345192823 /nfs/dbraw/zinc/19/28/23/345192823.db2.gz OVSASVYNDAKYQP-OUAUKWLOSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1C[C@H](C)CCC[C@H]1C 306313892 345192825 /nfs/dbraw/zinc/19/28/25/345192825.db2.gz OVSASVYNDAKYQP-OUAUKWLOSA-N 2 2 184.327 1.844 20 0 ADADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C2)cs1 306328503 345206082 /nfs/dbraw/zinc/20/60/82/345206082.db2.gz NQGZXZXIVKKXLW-SNVBAGLBSA-N 2 2 196.319 1.590 20 0 ADADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C2)cs1 306328503 345206084 /nfs/dbraw/zinc/20/60/84/345206084.db2.gz NQGZXZXIVKKXLW-SNVBAGLBSA-N 2 2 196.319 1.590 20 0 ADADLP CC(C)[C@H]1C[N@H+](CC[NH3+])CCS1 306348434 345222506 /nfs/dbraw/zinc/22/25/06/345222506.db2.gz TYGRZYHXNFXXJG-SECBINFHSA-N 2 2 188.340 1.019 20 0 ADADLP CC(C)[C@H]1C[N@@H+](CC[NH3+])CCS1 306348434 345222507 /nfs/dbraw/zinc/22/25/07/345222507.db2.gz TYGRZYHXNFXXJG-SECBINFHSA-N 2 2 188.340 1.019 20 0 ADADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCCCC1 306380761 345246775 /nfs/dbraw/zinc/24/67/75/345246775.db2.gz OKRGDBXGOULKCI-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCCCC1 306380761 345246776 /nfs/dbraw/zinc/24/67/76/345246776.db2.gz OKRGDBXGOULKCI-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCCCC1 306380763 345246802 /nfs/dbraw/zinc/24/68/02/345246802.db2.gz OKRGDBXGOULKCI-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCCCC1 306380763 345246805 /nfs/dbraw/zinc/24/68/05/345246805.db2.gz OKRGDBXGOULKCI-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CCC1 306401982 345262598 /nfs/dbraw/zinc/26/25/98/345262598.db2.gz PLWKJHCBPNUECN-WDEREUQCSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CCC1 306401982 345262600 /nfs/dbraw/zinc/26/26/00/345262600.db2.gz PLWKJHCBPNUECN-WDEREUQCSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CCC1 306401980 345262929 /nfs/dbraw/zinc/26/29/29/345262929.db2.gz PLWKJHCBPNUECN-QWRGUYRKSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CCC1 306401980 345262931 /nfs/dbraw/zinc/26/29/31/345262931.db2.gz PLWKJHCBPNUECN-QWRGUYRKSA-N 2 2 196.338 1.716 20 0 ADADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(C)CC1 306469344 345331650 /nfs/dbraw/zinc/33/16/50/345331650.db2.gz PIYUVEYUXWJYEW-MWLCHTKSSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(C)CC1 306469344 345331652 /nfs/dbraw/zinc/33/16/52/345331652.db2.gz PIYUVEYUXWJYEW-MWLCHTKSSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(C)CC1 306469342 345331689 /nfs/dbraw/zinc/33/16/89/345331689.db2.gz PIYUVEYUXWJYEW-GXSJLCMTSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(C)CC1 306469342 345331692 /nfs/dbraw/zinc/33/16/92/345331692.db2.gz PIYUVEYUXWJYEW-GXSJLCMTSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(C)CC1 306469345 345331915 /nfs/dbraw/zinc/33/19/15/345331915.db2.gz PIYUVEYUXWJYEW-ONGXEEELSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(C)CC1 306469345 345331918 /nfs/dbraw/zinc/33/19/18/345331918.db2.gz PIYUVEYUXWJYEW-ONGXEEELSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(C)CC1 306469343 345331980 /nfs/dbraw/zinc/33/19/80/345331980.db2.gz PIYUVEYUXWJYEW-KOLCDFICSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(C)CC1 306469343 345331982 /nfs/dbraw/zinc/33/19/82/345331982.db2.gz PIYUVEYUXWJYEW-KOLCDFICSA-N 2 2 194.322 1.611 20 0 ADADLP CC(C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 306511921 345383323 /nfs/dbraw/zinc/38/33/23/345383323.db2.gz OFZZSJUWHNAINF-SECBINFHSA-N 2 2 179.267 1.196 20 0 ADADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C2)cs1 306557757 345433322 /nfs/dbraw/zinc/43/33/22/345433322.db2.gz NQGZXZXIVKKXLW-JTQLQIEISA-N 2 2 196.319 1.590 20 0 ADADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C2)cs1 306557757 345433325 /nfs/dbraw/zinc/43/33/25/345433325.db2.gz NQGZXZXIVKKXLW-JTQLQIEISA-N 2 2 196.319 1.590 20 0 ADADLP C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)[C@H]1C 306661046 345526029 /nfs/dbraw/zinc/52/60/29/345526029.db2.gz NQTZTTOQPGWOTD-GARJFASQSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)[C@H]1C 306661046 345526032 /nfs/dbraw/zinc/52/60/32/345526032.db2.gz NQTZTTOQPGWOTD-GARJFASQSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)[C@@H]1C 306661048 345526045 /nfs/dbraw/zinc/52/60/45/345526045.db2.gz NQTZTTOQPGWOTD-HBNTYKKESA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)[C@@H]1C 306661047 345526109 /nfs/dbraw/zinc/52/61/09/345526109.db2.gz NQTZTTOQPGWOTD-GMTAPVOTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)[C@@H]1C 306661047 345526111 /nfs/dbraw/zinc/52/61/11/345526111.db2.gz NQTZTTOQPGWOTD-GMTAPVOTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1[C@H](C)CC[N@@H+]1C[C@H]1CCC[NH2+]1 306661049 345526119 /nfs/dbraw/zinc/52/61/19/345526119.db2.gz NQTZTTOQPGWOTD-OUAUKWLOSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@H]1[C@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]1 306661049 345526121 /nfs/dbraw/zinc/52/61/21/345526121.db2.gz NQTZTTOQPGWOTD-OUAUKWLOSA-N 2 2 182.311 1.469 20 0 ADADLP CC[C@H]1C[C@@H](C)C[N@@H+]1CC(C)(C)[NH3+] 306688693 345548110 /nfs/dbraw/zinc/54/81/10/345548110.db2.gz NERPJBMWFQRYOB-ZJUUUORDSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@H]1C[C@@H](C)C[N@H+]1CC(C)(C)[NH3+] 306688693 345548114 /nfs/dbraw/zinc/54/81/14/345548114.db2.gz NERPJBMWFQRYOB-ZJUUUORDSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(C)(C)[NH3+] 306688690 345548258 /nfs/dbraw/zinc/54/82/58/345548258.db2.gz NERPJBMWFQRYOB-NXEZZACHSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1C[C@@H](C)C[N@H+]1CC(C)(C)[NH3+] 306688690 345548260 /nfs/dbraw/zinc/54/82/60/345548260.db2.gz NERPJBMWFQRYOB-NXEZZACHSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@H]1C[C@H](C)C[N@@H+]1CC(C)(C)[NH3+] 306688691 345548269 /nfs/dbraw/zinc/54/82/69/345548269.db2.gz NERPJBMWFQRYOB-UWVGGRQHSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@H]1C[C@H](C)C[N@H+]1CC(C)(C)[NH3+] 306688691 345548270 /nfs/dbraw/zinc/54/82/70/345548270.db2.gz NERPJBMWFQRYOB-UWVGGRQHSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1C[C@H](C)C[N@@H+]1CC(C)(C)[NH3+] 306688692 345548281 /nfs/dbraw/zinc/54/82/81/345548281.db2.gz NERPJBMWFQRYOB-VHSXEESVSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1C[C@H](C)C[N@H+]1CC(C)(C)[NH3+] 306688692 345548284 /nfs/dbraw/zinc/54/82/84/345548284.db2.gz NERPJBMWFQRYOB-VHSXEESVSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@@H]1CC[C@H]([N@H+](C)C2CC2)C[NH2+]1 306780775 345609576 /nfs/dbraw/zinc/60/95/76/345609576.db2.gz PXODGYAHZDOAPQ-SCZZXKLOSA-N 2 2 168.284 1.221 20 0 ADADLP C[C@@H]1CC[C@H]([N@@H+](C)C2CC2)C[NH2+]1 306780775 345609580 /nfs/dbraw/zinc/60/95/80/345609580.db2.gz PXODGYAHZDOAPQ-SCZZXKLOSA-N 2 2 168.284 1.221 20 0 ADADLP C[C@@H]1CC[C@@H]([N@H+](C)C2CC2)C[NH2+]1 306780773 345609588 /nfs/dbraw/zinc/60/95/88/345609588.db2.gz PXODGYAHZDOAPQ-PSASIEDQSA-N 2 2 168.284 1.221 20 0 ADADLP C[C@@H]1CC[C@@H]([N@@H+](C)C2CC2)C[NH2+]1 306780773 345609590 /nfs/dbraw/zinc/60/95/90/345609590.db2.gz PXODGYAHZDOAPQ-PSASIEDQSA-N 2 2 168.284 1.221 20 0 ADADLP C[C@H]1CC[C@H]([N@H+](C)C2CC2)C[NH2+]1 306780779 345609598 /nfs/dbraw/zinc/60/95/98/345609598.db2.gz PXODGYAHZDOAPQ-WPRPVWTQSA-N 2 2 168.284 1.221 20 0 ADADLP C[C@H]1CC[C@H]([N@@H+](C)C2CC2)C[NH2+]1 306780779 345609602 /nfs/dbraw/zinc/60/96/02/345609602.db2.gz PXODGYAHZDOAPQ-WPRPVWTQSA-N 2 2 168.284 1.221 20 0 ADADLP C[C@H]1CC[C@@H]([N@H+](C)C2CC2)C[NH2+]1 306780777 345609733 /nfs/dbraw/zinc/60/97/33/345609733.db2.gz PXODGYAHZDOAPQ-WCBMZHEXSA-N 2 2 168.284 1.221 20 0 ADADLP C[C@H]1CC[C@@H]([N@@H+](C)C2CC2)C[NH2+]1 306780777 345609736 /nfs/dbraw/zinc/60/97/36/345609736.db2.gz PXODGYAHZDOAPQ-WCBMZHEXSA-N 2 2 168.284 1.221 20 0 ADADLP C[C@H]1CCCC[N@H+](CC(C)(C)[NH3+])C1 306788696 345615074 /nfs/dbraw/zinc/61/50/74/345615074.db2.gz OMZPTPSGJQZFKD-JTQLQIEISA-N 2 2 184.327 1.846 20 0 ADADLP C[C@H]1CCCC[N@@H+](CC(C)(C)[NH3+])C1 306788696 345615076 /nfs/dbraw/zinc/61/50/76/345615076.db2.gz OMZPTPSGJQZFKD-JTQLQIEISA-N 2 2 184.327 1.846 20 0 ADADLP CC[C@@]1(C)CC[N@H+](CC(C)(C)[NH3+])C1 306981224 345732379 /nfs/dbraw/zinc/73/23/79/345732379.db2.gz HOFZGTZCVLHDEY-NSHDSACASA-N 2 2 184.327 1.846 20 0 ADADLP CC[C@@]1(C)CC[N@@H+](CC(C)(C)[NH3+])C1 306981224 345732381 /nfs/dbraw/zinc/73/23/81/345732381.db2.gz HOFZGTZCVLHDEY-NSHDSACASA-N 2 2 184.327 1.846 20 0 ADADLP CC[C@]1(C)CC[N@H+](CC(C)(C)[NH3+])C1 306981223 345732521 /nfs/dbraw/zinc/73/25/21/345732521.db2.gz HOFZGTZCVLHDEY-LLVKDONJSA-N 2 2 184.327 1.846 20 0 ADADLP CC[C@]1(C)CC[N@@H+](CC(C)(C)[NH3+])C1 306981223 345732522 /nfs/dbraw/zinc/73/25/22/345732522.db2.gz HOFZGTZCVLHDEY-LLVKDONJSA-N 2 2 184.327 1.846 20 0 ADADLP Cc1[nH+]cccc1Cn1cc[nH+]c1C 307039631 345771924 /nfs/dbraw/zinc/77/19/24/345771924.db2.gz IQRDXIMJGJZRKS-UHFFFAOYSA-N 2 2 187.246 1.943 20 0 ADADLP CC[C@@H]1[C@H](C)CC[N@@H+]1CC(C)(C)[NH3+] 307051948 345779831 /nfs/dbraw/zinc/77/98/31/345779831.db2.gz TUGQVUVDQDSOIW-NXEZZACHSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1[C@H](C)CC[N@H+]1CC(C)(C)[NH3+] 307051948 345779832 /nfs/dbraw/zinc/77/98/32/345779832.db2.gz TUGQVUVDQDSOIW-NXEZZACHSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(C)(C)[NH3+] 307051951 345779926 /nfs/dbraw/zinc/77/99/26/345779926.db2.gz TUGQVUVDQDSOIW-VHSXEESVSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1[C@@H](C)CC[N@H+]1CC(C)(C)[NH3+] 307051951 345779930 /nfs/dbraw/zinc/77/99/30/345779930.db2.gz TUGQVUVDQDSOIW-VHSXEESVSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@H]1[C@H](C)CC[N@@H+]1CC(C)(C)[NH3+] 307051952 345780054 /nfs/dbraw/zinc/78/00/54/345780054.db2.gz TUGQVUVDQDSOIW-ZJUUUORDSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@H]1[C@H](C)CC[N@H+]1CC(C)(C)[NH3+] 307051952 345780057 /nfs/dbraw/zinc/78/00/57/345780057.db2.gz TUGQVUVDQDSOIW-ZJUUUORDSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@H]1[C@@H](C)CC[N@@H+]1CC(C)(C)[NH3+] 307051950 345780217 /nfs/dbraw/zinc/78/02/17/345780217.db2.gz TUGQVUVDQDSOIW-UWVGGRQHSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@H]1[C@@H](C)CC[N@H+]1CC(C)(C)[NH3+] 307051950 345780219 /nfs/dbraw/zinc/78/02/19/345780219.db2.gz TUGQVUVDQDSOIW-UWVGGRQHSA-N 2 2 184.327 1.844 20 0 ADADLP Cc1[nH+]cn(Cc2c[nH]c[nH+]2)c1C 307073952 345794459 /nfs/dbraw/zinc/79/44/59/345794459.db2.gz AHTFMVWRNXVYNH-UHFFFAOYSA-N 2 2 176.223 1.271 20 0 ADADLP C[C@H]1CC[C@@H]([N@H+](C)CC(C)(C)[NH3+])C1 307224967 345903597 /nfs/dbraw/zinc/90/35/97/345903597.db2.gz TVZHKHHGGSOSTG-VHSXEESVSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]1CC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1 307224967 345903599 /nfs/dbraw/zinc/90/35/99/345903599.db2.gz TVZHKHHGGSOSTG-VHSXEESVSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]1CC[C@H]([N@H+](C)CC(C)(C)[NH3+])C1 307224966 345903611 /nfs/dbraw/zinc/90/36/11/345903611.db2.gz TVZHKHHGGSOSTG-UWVGGRQHSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]1CC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1 307224966 345903612 /nfs/dbraw/zinc/90/36/12/345903612.db2.gz TVZHKHHGGSOSTG-UWVGGRQHSA-N 2 2 184.327 1.844 20 0 ADADLP CN(c1cccc[nH+]1)C1CC([NH3+])C1 307244756 345918240 /nfs/dbraw/zinc/91/82/40/345918240.db2.gz LRHFRUWBAYWUBS-UHFFFAOYSA-N 2 2 177.251 1.008 20 0 ADADLP C[N@H+](C/C=C/Cl)C1CC([NH3+])C1 307246097 345919249 /nfs/dbraw/zinc/91/92/49/345919249.db2.gz XFLNDAPKUBFFBI-NSCUHMNNSA-N 2 2 174.675 1.160 20 0 ADADLP C[N@@H+](C/C=C/Cl)C1CC([NH3+])C1 307246097 345919250 /nfs/dbraw/zinc/91/92/50/345919250.db2.gz XFLNDAPKUBFFBI-NSCUHMNNSA-N 2 2 174.675 1.160 20 0 ADADLP C[C@H]1CC[C@@H](C)[N@@H+]1C[C@H]1CCC[NH2+]1 307248861 345920793 /nfs/dbraw/zinc/92/07/93/345920793.db2.gz NMDZLWWOLRCGTE-OUAUKWLOSA-N 2 2 182.311 1.611 20 0 ADADLP C[C@H]1CC[C@@H](C)[N@H+]1C[C@H]1CCC[NH2+]1 307248861 345920795 /nfs/dbraw/zinc/92/07/95/345920795.db2.gz NMDZLWWOLRCGTE-OUAUKWLOSA-N 2 2 182.311 1.611 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 307434685 346038562 /nfs/dbraw/zinc/03/85/62/346038562.db2.gz MMKUWHZVKIODSS-JFGNBEQYSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 307434685 346038565 /nfs/dbraw/zinc/03/85/65/346038565.db2.gz MMKUWHZVKIODSS-JFGNBEQYSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 307434686 346038607 /nfs/dbraw/zinc/03/86/07/346038607.db2.gz MMKUWHZVKIODSS-SCVCMEIPSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 307434686 346038610 /nfs/dbraw/zinc/03/86/10/346038610.db2.gz MMKUWHZVKIODSS-SCVCMEIPSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 307434681 346038691 /nfs/dbraw/zinc/03/86/91/346038691.db2.gz MMKUWHZVKIODSS-CKYFFXLPSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 307434681 346038694 /nfs/dbraw/zinc/03/86/94/346038694.db2.gz MMKUWHZVKIODSS-CKYFFXLPSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 307434683 346038748 /nfs/dbraw/zinc/03/87/48/346038748.db2.gz MMKUWHZVKIODSS-FOGDFJRCSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 307434683 346038751 /nfs/dbraw/zinc/03/87/51/346038751.db2.gz MMKUWHZVKIODSS-FOGDFJRCSA-N 2 2 194.322 1.611 20 0 ADADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC1(C)C 307514031 346084526 /nfs/dbraw/zinc/08/45/26/346084526.db2.gz OFLRZQFDDABAND-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC1(C)C 307514031 346084527 /nfs/dbraw/zinc/08/45/27/346084527.db2.gz OFLRZQFDDABAND-MNOVXSKESA-N 2 2 196.338 1.859 20 0 ADADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC1(C)C 307514034 346084610 /nfs/dbraw/zinc/08/46/10/346084610.db2.gz OFLRZQFDDABAND-WDEREUQCSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC1(C)C 307514034 346084611 /nfs/dbraw/zinc/08/46/11/346084611.db2.gz OFLRZQFDDABAND-WDEREUQCSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC1(C)C 307514030 346084706 /nfs/dbraw/zinc/08/47/06/346084706.db2.gz OFLRZQFDDABAND-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC1(C)C 307514030 346084709 /nfs/dbraw/zinc/08/47/09/346084709.db2.gz OFLRZQFDDABAND-GHMZBOCLSA-N 2 2 196.338 1.859 20 0 ADADLP Cc1c[nH+]ccc1CCn1cc[nH+]c1 307541131 346101311 /nfs/dbraw/zinc/10/13/11/346101311.db2.gz NVBBFIYPSFQBAX-UHFFFAOYSA-N 2 2 187.246 1.829 20 0 ADADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC1 307596254 346136316 /nfs/dbraw/zinc/13/63/16/346136316.db2.gz MCOJIOLMXFADAP-JOYOIKCWSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC1 307596254 346136319 /nfs/dbraw/zinc/13/63/19/346136319.db2.gz MCOJIOLMXFADAP-JOYOIKCWSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC1 307596253 346136435 /nfs/dbraw/zinc/13/64/35/346136435.db2.gz MCOJIOLMXFADAP-CABZTGNLSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC1 307596253 346136438 /nfs/dbraw/zinc/13/64/38/346136438.db2.gz MCOJIOLMXFADAP-CABZTGNLSA-N 2 2 194.322 1.611 20 0 ADADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC1(C)C 307612339 346146494 /nfs/dbraw/zinc/14/64/94/346146494.db2.gz IFNCAIGAZTZQOU-OPRDCNLKSA-N 2 2 182.311 1.325 20 0 ADADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC1(C)C 307612339 346146496 /nfs/dbraw/zinc/14/64/96/346146496.db2.gz IFNCAIGAZTZQOU-OPRDCNLKSA-N 2 2 182.311 1.325 20 0 ADADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC1(C)C 307612341 346146503 /nfs/dbraw/zinc/14/65/03/346146503.db2.gz IFNCAIGAZTZQOU-UTLUCORTSA-N 2 2 182.311 1.325 20 0 ADADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC1(C)C 307612341 346146504 /nfs/dbraw/zinc/14/65/04/346146504.db2.gz IFNCAIGAZTZQOU-UTLUCORTSA-N 2 2 182.311 1.325 20 0 ADADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC1(C)C 307612336 346146602 /nfs/dbraw/zinc/14/66/02/346146602.db2.gz IFNCAIGAZTZQOU-BBBLOLIVSA-N 2 2 182.311 1.325 20 0 ADADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC1(C)C 307612338 346146616 /nfs/dbraw/zinc/14/66/16/346146616.db2.gz IFNCAIGAZTZQOU-KXUCPTDWSA-N 2 2 182.311 1.325 20 0 ADADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC1(C)C 307612338 346146617 /nfs/dbraw/zinc/14/66/17/346146617.db2.gz IFNCAIGAZTZQOU-KXUCPTDWSA-N 2 2 182.311 1.325 20 0 ADADLP c1[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 307619559 346151753 /nfs/dbraw/zinc/15/17/53/346151753.db2.gz YIDFHRWQGCBOKT-DVVUODLYSA-N 2 2 191.278 1.688 20 0 ADADLP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1CCC[NH2+]1 307652276 346167295 /nfs/dbraw/zinc/16/72/95/346167295.db2.gz NMDZLWWOLRCGTE-GMTAPVOTSA-N 2 2 182.311 1.611 20 0 ADADLP C[NH+](C)CCSCCn1cc[nH+]c1 308266206 346278907 /nfs/dbraw/zinc/27/89/07/346278907.db2.gz PQNVQBSLKFQYNB-UHFFFAOYSA-N 2 2 199.323 1.178 20 0 ADADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCC1 308598519 346314567 /nfs/dbraw/zinc/31/45/67/346314567.db2.gz AFEQCKZWDJIHDW-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCC1 308598519 346314570 /nfs/dbraw/zinc/31/45/70/346314570.db2.gz AFEQCKZWDJIHDW-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCC1 308598513 346314666 /nfs/dbraw/zinc/31/46/66/346314666.db2.gz AFEQCKZWDJIHDW-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 308625122 346315392 /nfs/dbraw/zinc/31/53/92/346315392.db2.gz VPATYMKTYFZWHL-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C 308625122 346315394 /nfs/dbraw/zinc/31/53/94/346315394.db2.gz VPATYMKTYFZWHL-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 308625121 346315397 /nfs/dbraw/zinc/31/53/97/346315397.db2.gz VPATYMKTYFZWHL-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C 308625121 346315399 /nfs/dbraw/zinc/31/53/99/346315399.db2.gz VPATYMKTYFZWHL-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP CSCC[NH2+]C(C)(C)C[NH+](C)C 308633888 346316049 /nfs/dbraw/zinc/31/60/49/346316049.db2.gz WTUCBRQBFCSRLJ-UHFFFAOYSA-N 2 2 190.356 1.279 20 0 ADADLP C[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C 334561186 346354323 /nfs/dbraw/zinc/35/43/23/346354323.db2.gz JPVLVFPOYQJGJQ-JTQLQIEISA-N 2 2 193.294 1.447 20 0 ADADLP C[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C 334561186 346354326 /nfs/dbraw/zinc/35/43/26/346354326.db2.gz JPVLVFPOYQJGJQ-JTQLQIEISA-N 2 2 193.294 1.447 20 0 ADADLP C[C@@]1(F)CC[N@@H+](CCn2cc[nH+]c2)C1 334721029 346361450 /nfs/dbraw/zinc/36/14/50/346361450.db2.gz RGHMMQQZBKFZNV-SNVBAGLBSA-N 2 2 197.257 1.317 20 0 ADADLP C[C@]1(F)CC[N@H+](CCn2cc[nH+]c2)C1 334721028 346361579 /nfs/dbraw/zinc/36/15/79/346361579.db2.gz RGHMMQQZBKFZNV-JTQLQIEISA-N 2 2 197.257 1.317 20 0 ADADLP C[C@]1(F)CC[N@@H+](CCn2cc[nH+]c2)C1 334721028 346361582 /nfs/dbraw/zinc/36/15/82/346361582.db2.gz RGHMMQQZBKFZNV-JTQLQIEISA-N 2 2 197.257 1.317 20 0 ADADLP C[C@H]1CC[C@H](C)[NH+]1CCn1cc[nH+]c1 334783324 346364329 /nfs/dbraw/zinc/36/43/29/346364329.db2.gz HFPYOEIYBCTJOJ-QWRGUYRKSA-N 2 2 193.294 1.756 20 0 ADADLP C[C@H]1CC(C)(C)C[N@@H+]1CC(C)(C)[NH3+] 334851443 346367556 /nfs/dbraw/zinc/36/75/56/346367556.db2.gz CCXCLLZUIKHICZ-VIFPVBQESA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]1CC(C)(C)C[N@H+]1CC(C)(C)[NH3+] 334851443 346367558 /nfs/dbraw/zinc/36/75/58/346367558.db2.gz CCXCLLZUIKHICZ-VIFPVBQESA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]1CCCC[N@@H+](C[C@@H](C)[NH3+])C1 334966857 346371715 /nfs/dbraw/zinc/37/17/15/346371715.db2.gz IIEJGZKPDDLIRD-VHSXEESVSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@H]1CCCC[N@H+](C[C@@H](C)[NH3+])C1 334966857 346371718 /nfs/dbraw/zinc/37/17/18/346371718.db2.gz IIEJGZKPDDLIRD-VHSXEESVSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H](C)C1 334966858 346371963 /nfs/dbraw/zinc/37/19/63/346371963.db2.gz IIEJGZKPDDLIRD-ZJUUUORDSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H](C)C1 334966858 346371966 /nfs/dbraw/zinc/37/19/66/346371966.db2.gz IIEJGZKPDDLIRD-ZJUUUORDSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@H](C)C1 334966856 346372004 /nfs/dbraw/zinc/37/20/04/346372004.db2.gz IIEJGZKPDDLIRD-UWVGGRQHSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@H](C)C1 334966856 346372007 /nfs/dbraw/zinc/37/20/07/346372007.db2.gz IIEJGZKPDDLIRD-UWVGGRQHSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCc2ccsc2C1 334965960 346372248 /nfs/dbraw/zinc/37/22/48/346372248.db2.gz CCOOMPMQBBQNHA-QMMMGPOBSA-N 2 2 196.319 1.453 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCc2ccsc2C1 334965960 346372249 /nfs/dbraw/zinc/37/22/49/346372249.db2.gz CCOOMPMQBBQNHA-QMMMGPOBSA-N 2 2 196.319 1.453 20 0 ADADLP CC1=CCC[N@H+](CCn2cc[nH+]c2)C1 335023129 346374542 /nfs/dbraw/zinc/37/45/42/346374542.db2.gz RHFSHHXMGGHSSV-UHFFFAOYSA-N 2 2 191.278 1.535 20 0 ADADLP CC1=CCC[N@@H+](CCn2cc[nH+]c2)C1 335023129 346374546 /nfs/dbraw/zinc/37/45/46/346374546.db2.gz RHFSHHXMGGHSSV-UHFFFAOYSA-N 2 2 191.278 1.535 20 0 ADADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccoc1 335043738 346376046 /nfs/dbraw/zinc/37/60/46/346376046.db2.gz SFGGQJKDYWSPGE-GXSJLCMTSA-N 2 2 194.278 1.367 20 0 ADADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccoc1 335043741 346376484 /nfs/dbraw/zinc/37/64/84/346376484.db2.gz SFGGQJKDYWSPGE-ONGXEEELSA-N 2 2 194.278 1.367 20 0 ADADLP CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 335307130 346388124 /nfs/dbraw/zinc/38/81/24/346388124.db2.gz OUDKXSHCYZYPNK-SNVBAGLBSA-N 2 2 193.294 1.999 20 0 ADADLP CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 335307130 346388127 /nfs/dbraw/zinc/38/81/27/346388127.db2.gz OUDKXSHCYZYPNK-SNVBAGLBSA-N 2 2 193.294 1.999 20 0 ADADLP CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 335307129 346388173 /nfs/dbraw/zinc/38/81/73/346388173.db2.gz OUDKXSHCYZYPNK-JTQLQIEISA-N 2 2 193.294 1.999 20 0 ADADLP CC(C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 335306530 346388414 /nfs/dbraw/zinc/38/84/14/346388414.db2.gz CUNFHDXOEWAYDN-SNVBAGLBSA-N 2 2 193.294 1.998 20 0 ADADLP CC(C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 335306530 346388417 /nfs/dbraw/zinc/38/84/17/346388417.db2.gz CUNFHDXOEWAYDN-SNVBAGLBSA-N 2 2 193.294 1.998 20 0 ADADLP CC(C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 335306529 346388442 /nfs/dbraw/zinc/38/84/42/346388442.db2.gz CUNFHDXOEWAYDN-JTQLQIEISA-N 2 2 193.294 1.998 20 0 ADADLP CC(C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 335306529 346388444 /nfs/dbraw/zinc/38/84/44/346388444.db2.gz CUNFHDXOEWAYDN-JTQLQIEISA-N 2 2 193.294 1.998 20 0 ADADLP CC1CC[NH+](CCn2cc[nH+]c2)CC1 335307719 346389177 /nfs/dbraw/zinc/38/91/77/346389177.db2.gz YJBLZAOCAXGACS-UHFFFAOYSA-N 2 2 193.294 1.615 20 0 ADADLP Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 335613624 346408851 /nfs/dbraw/zinc/40/88/51/346408851.db2.gz SYTPILBIPYBJIO-VHSXEESVSA-N 2 2 194.278 1.557 20 0 ADADLP Cc1ccoc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] 335613094 346408996 /nfs/dbraw/zinc/40/89/96/346408996.db2.gz SYTPILBIPYBJIO-NXEZZACHSA-N 2 2 194.278 1.557 20 0 ADADLP Cc1ccoc1C[NH2+][C@H]1CCC[C@H]1[NH3+] 335613625 346409160 /nfs/dbraw/zinc/40/91/60/346409160.db2.gz SYTPILBIPYBJIO-ZJUUUORDSA-N 2 2 194.278 1.557 20 0 ADADLP Cc1ccoc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] 335613095 346409219 /nfs/dbraw/zinc/40/92/19/346409219.db2.gz SYTPILBIPYBJIO-UWVGGRQHSA-N 2 2 194.278 1.557 20 0 ADADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 336001113 346432945 /nfs/dbraw/zinc/43/29/45/346432945.db2.gz WZJXUHYJCZXPPD-JTQLQIEISA-N 2 2 193.294 1.304 20 0 ADADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 336001113 346432947 /nfs/dbraw/zinc/43/29/47/346432947.db2.gz WZJXUHYJCZXPPD-JTQLQIEISA-N 2 2 193.294 1.304 20 0 ADADLP CC[C@H](C)C[N@@H+]1CCn2c[nH+]cc2C1 336012213 346433518 /nfs/dbraw/zinc/43/35/18/346433518.db2.gz ATZJXRDFEDCOEI-JTQLQIEISA-N 2 2 193.294 1.745 20 0 ADADLP CC[C@H](C)C[N@H+]1CCn2c[nH+]cc2C1 336012213 346433520 /nfs/dbraw/zinc/43/35/20/346433520.db2.gz ATZJXRDFEDCOEI-JTQLQIEISA-N 2 2 193.294 1.745 20 0 ADADLP CCC[NH+]1CCC(n2cc[nH+]c2)CC1 336162957 346441451 /nfs/dbraw/zinc/44/14/51/346441451.db2.gz SRMWSAHUTSJSPY-UHFFFAOYSA-N 2 2 193.294 1.930 20 0 ADADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](F)C1 336262592 346449210 /nfs/dbraw/zinc/44/92/10/346449210.db2.gz DMCUDVFCUVZGIZ-JTQLQIEISA-N 2 2 197.257 1.235 20 0 ADADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](F)C1 336262592 346449213 /nfs/dbraw/zinc/44/92/13/346449213.db2.gz DMCUDVFCUVZGIZ-JTQLQIEISA-N 2 2 197.257 1.235 20 0 ADADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)C1 336265185 346449653 /nfs/dbraw/zinc/44/96/53/346449653.db2.gz OJPJMYINYIKMBU-SNVBAGLBSA-N 2 2 193.294 1.533 20 0 ADADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)C1 336265185 346449655 /nfs/dbraw/zinc/44/96/55/346449655.db2.gz OJPJMYINYIKMBU-SNVBAGLBSA-N 2 2 193.294 1.533 20 0 ADADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)C1 336265184 346449711 /nfs/dbraw/zinc/44/97/11/346449711.db2.gz OJPJMYINYIKMBU-JTQLQIEISA-N 2 2 193.294 1.533 20 0 ADADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)C1 336265184 346449714 /nfs/dbraw/zinc/44/97/14/346449714.db2.gz OJPJMYINYIKMBU-JTQLQIEISA-N 2 2 193.294 1.533 20 0 ADADLP CCc1[nH+]ccn1C[C@H]1CC[N@H+](C)C1 336355469 346457316 /nfs/dbraw/zinc/45/73/16/346457316.db2.gz WFWSGOWQQCDVHG-JTQLQIEISA-N 2 2 193.294 1.397 20 0 ADADLP CCc1[nH+]ccn1C[C@H]1CC[N@@H+](C)C1 336355469 346457320 /nfs/dbraw/zinc/45/73/20/346457320.db2.gz WFWSGOWQQCDVHG-JTQLQIEISA-N 2 2 193.294 1.397 20 0 ADADLP CCc1[nH+]ccn1C[C@@H]1CC[N@H+](C)C1 336355471 346457724 /nfs/dbraw/zinc/45/77/24/346457724.db2.gz WFWSGOWQQCDVHG-SNVBAGLBSA-N 2 2 193.294 1.397 20 0 ADADLP CCc1[nH+]ccn1C[C@@H]1CC[N@@H+](C)C1 336355471 346457726 /nfs/dbraw/zinc/45/77/26/346457726.db2.gz WFWSGOWQQCDVHG-SNVBAGLBSA-N 2 2 193.294 1.397 20 0 ADADLP C[C@H]1C[C@@H]1C[N@H+]1CCn2c[nH+]cc2C1 336400942 346460892 /nfs/dbraw/zinc/46/08/92/346460892.db2.gz ZMFNJJGTHUMJRG-VHSXEESVSA-N 2 2 191.278 1.355 20 0 ADADLP C[C@H]1C[C@H]1C[N@H+]1CCn2c[nH+]cc2C1 336400941 346461314 /nfs/dbraw/zinc/46/13/14/346461314.db2.gz ZMFNJJGTHUMJRG-UWVGGRQHSA-N 2 2 191.278 1.355 20 0 ADADLP Cc1cccc(N2CC([NH+](C)C)C2)[nH+]1 336414005 346461899 /nfs/dbraw/zinc/46/18/99/346461899.db2.gz ZVLVIILGMCOGKM-UHFFFAOYSA-N 2 2 191.278 1.140 20 0 ADADLP C[C@H]1C[NH+](CCn2cc[nH+]c2)C[C@@H]1C 336486034 346466947 /nfs/dbraw/zinc/46/69/47/346466947.db2.gz ARECKHZFDDZXDM-QWRGUYRKSA-N 2 2 193.294 1.471 20 0 ADADLP C[C@H]1C[C@@H](C)C[N@H+]1CCn1cc[nH+]c1 336486090 346467188 /nfs/dbraw/zinc/46/71/88/346467188.db2.gz LKLFCZJEBSGAGQ-MNOVXSKESA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H]1C[C@@H](C)C[N@@H+]1CCn1cc[nH+]c1 336486090 346467191 /nfs/dbraw/zinc/46/71/91/346467191.db2.gz LKLFCZJEBSGAGQ-MNOVXSKESA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H]1C[C@@H](C)[N@H+](CCn2cc[nH+]c2)C1 336486092 346467294 /nfs/dbraw/zinc/46/72/94/346467294.db2.gz LKLFCZJEBSGAGQ-WDEREUQCSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H]1C[C@@H](C)[N@@H+](CCn2cc[nH+]c2)C1 336486092 346467296 /nfs/dbraw/zinc/46/72/96/346467296.db2.gz LKLFCZJEBSGAGQ-WDEREUQCSA-N 2 2 193.294 1.613 20 0 ADADLP CC1(C)CC[N@H+](CCn2cc[nH+]c2)C1 336486172 346467339 /nfs/dbraw/zinc/46/73/39/346467339.db2.gz VYWHRGKWHUCGRE-UHFFFAOYSA-N 2 2 193.294 1.615 20 0 ADADLP C[C@H]1C[C@H](C)[N@H+](CCn2cc[nH+]c2)C1 336486091 346467374 /nfs/dbraw/zinc/46/73/74/346467374.db2.gz LKLFCZJEBSGAGQ-QWRGUYRKSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H]1C[C@H](C)[N@@H+](CCn2cc[nH+]c2)C1 336486091 346467375 /nfs/dbraw/zinc/46/73/75/346467375.db2.gz LKLFCZJEBSGAGQ-QWRGUYRKSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H]1[C@H](C)CC[N@@H+]1CCn1cc[nH+]c1 336554078 346473188 /nfs/dbraw/zinc/47/31/88/346473188.db2.gz NKLZKUXGFWMLGP-MNOVXSKESA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H]1[C@H](C)CC[N@H+]1CCn1cc[nH+]c1 336554078 346473190 /nfs/dbraw/zinc/47/31/90/346473190.db2.gz NKLZKUXGFWMLGP-MNOVXSKESA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]1C 336554080 346473219 /nfs/dbraw/zinc/47/32/19/346473219.db2.gz NKLZKUXGFWMLGP-WDEREUQCSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]1C 336554080 346473222 /nfs/dbraw/zinc/47/32/22/346473222.db2.gz NKLZKUXGFWMLGP-WDEREUQCSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H]1C 336554079 346473374 /nfs/dbraw/zinc/47/33/74/346473374.db2.gz NKLZKUXGFWMLGP-QWRGUYRKSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H]1C 336554079 346473375 /nfs/dbraw/zinc/47/33/75/346473375.db2.gz NKLZKUXGFWMLGP-QWRGUYRKSA-N 2 2 193.294 1.613 20 0 ADADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C 336555487 346473947 /nfs/dbraw/zinc/47/39/47/346473947.db2.gz NKBHJUCLWAJNPT-JTQLQIEISA-N 2 2 193.294 1.676 20 0 ADADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C 336555487 346473951 /nfs/dbraw/zinc/47/39/51/346473951.db2.gz NKBHJUCLWAJNPT-JTQLQIEISA-N 2 2 193.294 1.676 20 0 ADADLP C[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 336555679 346474029 /nfs/dbraw/zinc/47/40/29/346474029.db2.gz TXKKXHFIPOHVJR-NSHDSACASA-N 2 2 193.294 1.758 20 0 ADADLP C[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 336555679 346474030 /nfs/dbraw/zinc/47/40/30/346474030.db2.gz TXKKXHFIPOHVJR-NSHDSACASA-N 2 2 193.294 1.758 20 0 ADADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C 336555488 346474287 /nfs/dbraw/zinc/47/42/87/346474287.db2.gz NKBHJUCLWAJNPT-SNVBAGLBSA-N 2 2 193.294 1.676 20 0 ADADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C 336555488 346474289 /nfs/dbraw/zinc/47/42/89/346474289.db2.gz NKBHJUCLWAJNPT-SNVBAGLBSA-N 2 2 193.294 1.676 20 0 ADADLP C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 336631413 346480576 /nfs/dbraw/zinc/48/05/76/346480576.db2.gz JQMQCTBCLPIOJF-JTQLQIEISA-N 2 2 179.267 1.367 20 0 ADADLP C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 336631413 346480577 /nfs/dbraw/zinc/48/05/77/346480577.db2.gz JQMQCTBCLPIOJF-JTQLQIEISA-N 2 2 179.267 1.367 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCC[N@@H+]1C 379388682 346513520 /nfs/dbraw/zinc/51/35/20/346513520.db2.gz JVXVPBFMCVABBD-OUAUKWLOSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCC[N@H+]1C 379388682 346513522 /nfs/dbraw/zinc/51/35/22/346513522.db2.gz JVXVPBFMCVABBD-OUAUKWLOSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+]1C 379388680 346513611 /nfs/dbraw/zinc/51/36/11/346513611.db2.gz JVXVPBFMCVABBD-GMTAPVOTSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@H+]1C 379388680 346513614 /nfs/dbraw/zinc/51/36/14/346513614.db2.gz JVXVPBFMCVABBD-GMTAPVOTSA-N 2 2 182.311 1.326 20 0 ADADLP Cn1cc[nH+]c1CSCC[NH+](C)C 379392436 346514245 /nfs/dbraw/zinc/51/42/45/346514245.db2.gz RWOMZSIMIQSZJA-UHFFFAOYSA-N 2 2 199.323 1.215 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccncc1C 379507831 346524073 /nfs/dbraw/zinc/52/40/73/346524073.db2.gz NQIQBVNPHKBASU-JTQLQIEISA-N 2 2 193.294 1.088 20 0 ADADLP CC[N@@H+](CC[NH3+])Cc1ccncc1C 379511959 346524283 /nfs/dbraw/zinc/52/42/83/346524283.db2.gz SURJVGFWZZOFSJ-UHFFFAOYSA-N 2 2 193.294 1.171 20 0 ADADLP CC[N@H+](CC[NH3+])Cc1ccncc1C 379511959 346524282 /nfs/dbraw/zinc/52/42/82/346524282.db2.gz SURJVGFWZZOFSJ-UHFFFAOYSA-N 2 2 193.294 1.171 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccncc1C 379507832 346524441 /nfs/dbraw/zinc/52/44/41/346524441.db2.gz NQIQBVNPHKBASU-SNVBAGLBSA-N 2 2 193.294 1.088 20 0 ADADLP C[C@H]1CC[N@H+](CC[NH2+]CC(C)(C)C)C1 379634145 346527869 /nfs/dbraw/zinc/52/78/69/346527869.db2.gz QCBJLOTXYGJCJW-NSHDSACASA-N 2 2 198.354 1.964 20 0 ADADLP C[C@H]1CC[N@@H+](CC[NH2+]CC(C)(C)C)C1 379634145 346527871 /nfs/dbraw/zinc/52/78/71/346527871.db2.gz QCBJLOTXYGJCJW-NSHDSACASA-N 2 2 198.354 1.964 20 0 ADADLP CCSCC[N@H+](C)[C@@H](C)C[NH3+] 382974189 346536746 /nfs/dbraw/zinc/53/67/46/346536746.db2.gz ODFOJWDOBPRIIH-QMMMGPOBSA-N 2 2 176.329 1.019 20 0 ADADLP CCSCC[N@@H+](C)[C@@H](C)C[NH3+] 382974189 346536748 /nfs/dbraw/zinc/53/67/48/346536748.db2.gz ODFOJWDOBPRIIH-QMMMGPOBSA-N 2 2 176.329 1.019 20 0 ADADLP Cc1cnccc1C[N@@H+](C)[C@H](C)C[NH3+] 382999476 346536815 /nfs/dbraw/zinc/53/68/15/346536815.db2.gz PEOBDJHFLJDKGI-SNVBAGLBSA-N 2 2 193.294 1.169 20 0 ADADLP Cc1cnccc1C[N@H+](C)[C@H](C)C[NH3+] 382999476 346536817 /nfs/dbraw/zinc/53/68/17/346536817.db2.gz PEOBDJHFLJDKGI-SNVBAGLBSA-N 2 2 193.294 1.169 20 0 ADADLP CCSCC[N@H+](C)[C@H](C)C[NH3+] 382974187 346536870 /nfs/dbraw/zinc/53/68/70/346536870.db2.gz ODFOJWDOBPRIIH-MRVPVSSYSA-N 2 2 176.329 1.019 20 0 ADADLP CCSCC[N@@H+](C)[C@H](C)C[NH3+] 382974187 346536872 /nfs/dbraw/zinc/53/68/72/346536872.db2.gz ODFOJWDOBPRIIH-MRVPVSSYSA-N 2 2 176.329 1.019 20 0 ADADLP Cc1cnccc1C[N@@H+](C)[C@@H](C)C[NH3+] 382999473 346536930 /nfs/dbraw/zinc/53/69/30/346536930.db2.gz PEOBDJHFLJDKGI-JTQLQIEISA-N 2 2 193.294 1.169 20 0 ADADLP Cc1cnccc1C[N@H+](C)[C@@H](C)C[NH3+] 382999473 346536931 /nfs/dbraw/zinc/53/69/31/346536931.db2.gz PEOBDJHFLJDKGI-JTQLQIEISA-N 2 2 193.294 1.169 20 0 ADADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1(C)CC1 388752700 346565179 /nfs/dbraw/zinc/56/51/79/346565179.db2.gz CDZNYMHGZMQKSM-SNVBAGLBSA-N 2 2 182.311 1.470 20 0 ADADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC1(C)CC1 388752700 346565183 /nfs/dbraw/zinc/56/51/83/346565183.db2.gz CDZNYMHGZMQKSM-SNVBAGLBSA-N 2 2 182.311 1.470 20 0 ADADLP CSCC[N@@H+]1CCc2[nH+]c[nH]c2C1 590598874 346783707 /nfs/dbraw/zinc/78/37/07/346783707.db2.gz COPUAXOASNPQLK-UHFFFAOYSA-N 2 2 197.307 1.131 20 0 ADADLP CSCC[N@H+]1CCc2[nH+]c[nH]c2C1 590598874 346783710 /nfs/dbraw/zinc/78/37/10/346783710.db2.gz COPUAXOASNPQLK-UHFFFAOYSA-N 2 2 197.307 1.131 20 0 ADADLP CSCC[N@@H+]1CCn2c[nH+]cc2C1 590599000 346783958 /nfs/dbraw/zinc/78/39/58/346783958.db2.gz BTQFGKDHQIBSJW-UHFFFAOYSA-N 2 2 197.307 1.062 20 0 ADADLP CSCC[N@H+]1CCn2c[nH+]cc2C1 590599000 346783959 /nfs/dbraw/zinc/78/39/59/346783959.db2.gz BTQFGKDHQIBSJW-UHFFFAOYSA-N 2 2 197.307 1.062 20 0 ADADLP CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 591082337 346802685 /nfs/dbraw/zinc/80/26/85/346802685.db2.gz OMUAQOWAPOPWID-LLVKDONJSA-N 2 2 193.294 1.930 20 0 ADADLP CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 591082337 346802688 /nfs/dbraw/zinc/80/26/88/346802688.db2.gz OMUAQOWAPOPWID-LLVKDONJSA-N 2 2 193.294 1.930 20 0 ADADLP CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 591082342 346802963 /nfs/dbraw/zinc/80/29/63/346802963.db2.gz OMUAQOWAPOPWID-NSHDSACASA-N 2 2 193.294 1.930 20 0 ADADLP CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 591082342 346802966 /nfs/dbraw/zinc/80/29/66/346802966.db2.gz OMUAQOWAPOPWID-NSHDSACASA-N 2 2 193.294 1.930 20 0 ADADLP CC(C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 591868064 346825538 /nfs/dbraw/zinc/82/55/38/346825538.db2.gz WHYOYZWFPQAAIH-NSHDSACASA-N 2 2 193.294 1.928 20 0 ADADLP CC(C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 591868064 346825541 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191.278 1.502 20 0 ADADLP C[NH2+]c1ccc(NCCC[NH3+])cc1 629656172 347354805 /nfs/dbraw/zinc/35/48/05/347354805.db2.gz MUEMTGZXWGHELL-UHFFFAOYSA-N 2 2 179.267 1.489 20 0 ADADLP C[NH2+]c1ccc(NCC(C)(C)[NH3+])cc1 629656397 347354813 /nfs/dbraw/zinc/35/48/13/347354813.db2.gz OFYROFNCCDNNLX-UHFFFAOYSA-N 2 2 193.294 1.878 20 0 ADADLP C[NH2+]c1ccc(N[C@H]2CC[NH2+]C2)cc1 629657490 347354895 /nfs/dbraw/zinc/35/48/95/347354895.db2.gz YOJWDPOOOKSSDH-NSHDSACASA-N 2 2 191.278 1.502 20 0 ADADLP Cc1[nH]cc(C2=CC[NH2+]CC2)[nH+]1 629723530 347356987 /nfs/dbraw/zinc/35/69/87/347356987.db2.gz OHEWWXOKHZTAKH-UHFFFAOYSA-N 2 2 163.224 1.095 20 0 ADADLP Cc1[nH+]cc(C2=CC[NH2+]CC2)cc1N 629723491 347357112 /nfs/dbraw/zinc/35/71/12/347357112.db2.gz MWVINMLTBAYRTH-UHFFFAOYSA-N 2 2 189.262 1.349 20 0 ADADLP Nc1[nH+]cccc1C1=CC[NH2+]CC1 629723879 347357251 /nfs/dbraw/zinc/35/72/51/347357251.db2.gz SRQUMADGZOWYEO-UHFFFAOYSA-N 2 2 175.235 1.041 20 0 ADADLP Cn1cc[nH+]c1-c1cccc2c1C[NH2+]C2 630053044 347359612 /nfs/dbraw/zinc/35/96/12/347359612.db2.gz PSOPLOLLQVAYDO-UHFFFAOYSA-N 2 2 199.257 1.690 20 0 ADADLP Cc1cn(Cc2[nH+]ccn2C)c(C)[nH+]1 631014978 347375675 /nfs/dbraw/zinc/37/56/75/347375675.db2.gz MYZFKRIVXJKMIA-UHFFFAOYSA-N 2 2 190.250 1.282 20 0 ADADLP CC(C)C[N@H+](C)CC12CC(C[NH2+]1)C2 634991384 347432711 /nfs/dbraw/zinc/43/27/11/347432711.db2.gz BYJVVKSTAYECSW-UHFFFAOYSA-N 2 2 182.311 1.326 20 0 ADADLP CC(C)C[N@@H+](C)CC12CC(C[NH2+]1)C2 634991384 347432713 /nfs/dbraw/zinc/43/27/13/347432713.db2.gz BYJVVKSTAYECSW-UHFFFAOYSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@H](C1CC1)[N@H+](C)CC12CC(C[NH2+]1)C2 634991740 347433000 /nfs/dbraw/zinc/43/30/00/347433000.db2.gz PXUCKNCMLPCKCE-GRZMOONWSA-N 2 2 194.322 1.469 20 0 ADADLP C[C@H](C1CC1)[N@@H+](C)CC12CC(C[NH2+]1)C2 634991740 347433002 /nfs/dbraw/zinc/43/30/02/347433002.db2.gz PXUCKNCMLPCKCE-GRZMOONWSA-N 2 2 194.322 1.469 20 0 ADADLP C[C@@H](C1CC1)[N@H+](C)CC12CC(C[NH2+]1)C2 634991739 347433106 /nfs/dbraw/zinc/43/31/06/347433106.db2.gz PXUCKNCMLPCKCE-BMQDGWLCSA-N 2 2 194.322 1.469 20 0 ADADLP C[C@@H](C1CC1)[N@@H+](C)CC12CC(C[NH2+]1)C2 634991739 347433108 /nfs/dbraw/zinc/43/31/08/347433108.db2.gz PXUCKNCMLPCKCE-BMQDGWLCSA-N 2 2 194.322 1.469 20 0 ADADLP C[C@H]1C[NH+](CC23CC(C[NH2+]2)C3)C[C@@H]1C 634993183 347433770 /nfs/dbraw/zinc/43/37/70/347433770.db2.gz MVYLRWZRJYODIT-JYBOHDQNSA-N 2 2 194.322 1.326 20 0 ADADLP C[C@@H]1C[NH+](CC23CC(C[NH2+]2)C3)C[C@H]1C 634993184 347433880 /nfs/dbraw/zinc/43/38/80/347433880.db2.gz MVYLRWZRJYODIT-QYNFOATHSA-N 2 2 194.322 1.326 20 0 ADADLP C[C@@H]1C[N@H+](CC23CC(C[NH2+]2)C3)C[C@@H]1C 634993185 347433903 /nfs/dbraw/zinc/43/39/03/347433903.db2.gz MVYLRWZRJYODIT-ZYANWLCNSA-N 2 2 194.322 1.326 20 0 ADADLP C[N@H+](CC12CC(C[NH2+]1)C2)C(C)(C)C 634996965 347435347 /nfs/dbraw/zinc/43/53/47/347435347.db2.gz ZZZHLZAVIYZUOD-UHFFFAOYSA-N 2 2 182.311 1.469 20 0 ADADLP C[N@@H+](CC12CC(C[NH2+]1)C2)C(C)(C)C 634996965 347435349 /nfs/dbraw/zinc/43/53/49/347435349.db2.gz ZZZHLZAVIYZUOD-UHFFFAOYSA-N 2 2 182.311 1.469 20 0 ADADLP Cc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)o1 635007892 347437166 /nfs/dbraw/zinc/43/71/66/347437166.db2.gz GYIGORKIPCVGQD-VIFPVBQESA-N 2 2 194.278 1.286 20 0 ADADLP Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)o1 635007867 347437380 /nfs/dbraw/zinc/43/73/80/347437380.db2.gz GYIGORKIPCVGQD-SECBINFHSA-N 2 2 194.278 1.286 20 0 ADADLP C[C@H]1C[C@@H]([NH2+][C@H](C)CF)CC[N@@H+]1C 639182277 347503913 /nfs/dbraw/zinc/50/39/13/347503913.db2.gz DUOYCSCIUHBKEN-UTLUCORTSA-N 2 2 188.290 1.417 20 0 ADADLP C[C@H]1C[C@@H]([NH2+][C@H](C)CF)CC[N@H+]1C 639182277 347503918 /nfs/dbraw/zinc/50/39/18/347503918.db2.gz DUOYCSCIUHBKEN-UTLUCORTSA-N 2 2 188.290 1.417 20 0 ADADLP C[C@H](CF)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 639182276 347503979 /nfs/dbraw/zinc/50/39/79/347503979.db2.gz DUOYCSCIUHBKEN-OPRDCNLKSA-N 2 2 188.290 1.417 20 0 ADADLP C[C@H](CF)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 639182276 347503983 /nfs/dbraw/zinc/50/39/83/347503983.db2.gz DUOYCSCIUHBKEN-OPRDCNLKSA-N 2 2 188.290 1.417 20 0 ADADLP C[C@H](CF)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 639182274 347504061 /nfs/dbraw/zinc/50/40/61/347504061.db2.gz DUOYCSCIUHBKEN-BBBLOLIVSA-N 2 2 188.290 1.417 20 0 ADADLP C[C@H](CF)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 639182274 347504065 /nfs/dbraw/zinc/50/40/65/347504065.db2.gz DUOYCSCIUHBKEN-BBBLOLIVSA-N 2 2 188.290 1.417 20 0 ADADLP C[C@H](CNc1cc[nH+]cc1F)[NH+](C)C 641313419 347569842 /nfs/dbraw/zinc/56/98/42/347569842.db2.gz OLVUIUSOFYEYRY-MRVPVSSYSA-N 2 2 197.257 1.005 20 0 ADADLP C[C@@H](CNc1cc[nH+]cc1F)[NH+](C)C 641313421 347570839 /nfs/dbraw/zinc/57/08/39/347570839.db2.gz OLVUIUSOFYEYRY-QMMMGPOBSA-N 2 2 197.257 1.005 20 0 ADADLP CN(CC[NH+](C)C)c1cc[nH+]cc1F 641424701 347572120 /nfs/dbraw/zinc/57/21/20/347572120.db2.gz HRALENKGJDQTHJ-UHFFFAOYSA-N 2 2 197.257 1.219 20 0 ADADLP C[C@@H](C[NH+](C)C)Nc1cc[nH+]cc1F 641603672 347577631 /nfs/dbraw/zinc/57/76/31/347577631.db2.gz IPBJXAVYQMYHSO-QMMMGPOBSA-N 2 2 197.257 1.005 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1[C@H](C)CCC1(C)C 641800608 347584528 /nfs/dbraw/zinc/58/45/28/347584528.db2.gz BVLHNPISTFOMQT-DTWKUNHWSA-N 2 2 170.300 1.597 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1[C@H](C)CCC1(C)C 641800608 347584531 /nfs/dbraw/zinc/58/45/31/347584531.db2.gz BVLHNPISTFOMQT-DTWKUNHWSA-N 2 2 170.300 1.597 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1[C@@H](C)CCC1(C)C 641800609 347584875 /nfs/dbraw/zinc/58/48/75/347584875.db2.gz BVLHNPISTFOMQT-IUCAKERBSA-N 2 2 170.300 1.597 20 0 ADADLP C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H](C)[NH3+] 641800606 347584893 /nfs/dbraw/zinc/58/48/93/347584893.db2.gz BVLHNPISTFOMQT-BDAKNGLRSA-N 2 2 170.300 1.597 20 0 ADADLP C[C@H]1CCC(C)(C)[N@H+]1C[C@@H](C)[NH3+] 641800606 347584896 /nfs/dbraw/zinc/58/48/96/347584896.db2.gz BVLHNPISTFOMQT-BDAKNGLRSA-N 2 2 170.300 1.597 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1[C@H](C)CCC1(C)C 641800610 347584990 /nfs/dbraw/zinc/58/49/90/347584990.db2.gz BVLHNPISTFOMQT-RKDXNWHRSA-N 2 2 170.300 1.597 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1[C@H](C)CCC1(C)C 641800610 347584991 /nfs/dbraw/zinc/58/49/91/347584991.db2.gz BVLHNPISTFOMQT-RKDXNWHRSA-N 2 2 170.300 1.597 20 0 ADADLP CC(C)C[NH2+]CC(C)(C)[NH+](C)C 20125713 351401644 /nfs/dbraw/zinc/40/16/44/351401644.db2.gz IFSQMRDKNKEZJS-UHFFFAOYSA-N 2 2 172.316 1.572 20 0 ADADLP CC[C@@H](C)C[NH2+]CCCn1cc[nH+]c1 20506104 351406408 /nfs/dbraw/zinc/40/64/08/351406408.db2.gz ZAHJZARYKXOJNB-LLVKDONJSA-N 2 2 195.310 1.909 20 0 ADADLP C[C@@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)C1 21967056 351408832 /nfs/dbraw/zinc/40/88/32/351408832.db2.gz WUCKJDZWEHIEPL-GHMZBOCLSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H]1CCCC[C@H]1[NH2+]CC[NH+](C)C 21955063 351409084 /nfs/dbraw/zinc/40/90/84/351409084.db2.gz RKYHYADKGRNBFV-GHMZBOCLSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H]1CCC[C@H]([NH2+]CC[NH+](C)C)C1 21967065 351409166 /nfs/dbraw/zinc/40/91/66/351409166.db2.gz WUCKJDZWEHIEPL-MNOVXSKESA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+](C)C 21955055 351409269 /nfs/dbraw/zinc/40/92/69/351409269.db2.gz RKYHYADKGRNBFV-MNOVXSKESA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[NH+](C)C 21955500 351409302 /nfs/dbraw/zinc/40/93/02/351409302.db2.gz OYIDMQLHWSQWLK-GHMZBOCLSA-N 2 2 198.354 1.962 20 0 ADADLP c1cn(CCCn2cc[nH+]c2)c[nH+]1 34438022 351439547 /nfs/dbraw/zinc/43/95/47/351439547.db2.gz ISXPITWIJWSEKJ-UHFFFAOYSA-N 2 2 176.223 1.170 20 0 ADADLP CC(C)CC[NH2+]CCCn1cc[nH+]c1 34937346 351445598 /nfs/dbraw/zinc/44/55/98/351445598.db2.gz MMOWABSPEAEPFV-UHFFFAOYSA-N 2 2 195.310 1.909 20 0 ADADLP CC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 34958075 351446744 /nfs/dbraw/zinc/44/67/44/351446744.db2.gz LTTHGOPUFBSSPY-SNVBAGLBSA-N 2 2 181.283 1.661 20 0 ADADLP c1cn(CCC[NH2+]CC2CC2)c[nH+]1 36883857 351460450 /nfs/dbraw/zinc/46/04/50/351460450.db2.gz GQWIDMUWDVRQST-UHFFFAOYSA-N 2 2 179.267 1.273 20 0 ADADLP C[C@@H](c1ccncc1)[N@@H+]1CC[C@H]([NH3+])C1 37483657 351468650 /nfs/dbraw/zinc/46/86/50/351468650.db2.gz DUYNOFDJUOGFNY-ONGXEEELSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@@H](c1ccncc1)[N@H+]1CC[C@H]([NH3+])C1 37483657 351468654 /nfs/dbraw/zinc/46/86/54/351468654.db2.gz DUYNOFDJUOGFNY-ONGXEEELSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@@H](c1ccccn1)[N@@H+]1CC[C@H]([NH3+])C1 37483647 351468865 /nfs/dbraw/zinc/46/88/65/351468865.db2.gz HNBRKLFRSDANRY-UWVGGRQHSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@@H](c1ccccn1)[N@H+]1CC[C@H]([NH3+])C1 37483647 351468867 /nfs/dbraw/zinc/46/88/67/351468867.db2.gz HNBRKLFRSDANRY-UWVGGRQHSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@@H](c1cccnc1)[N@@H+]1CC[C@H]([NH3+])C1 37483631 351469127 /nfs/dbraw/zinc/46/91/27/351469127.db2.gz WMYNWWNEKNGJLT-ONGXEEELSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@@H](c1cccnc1)[N@H+]1CC[C@H]([NH3+])C1 37483631 351469131 /nfs/dbraw/zinc/46/91/31/351469131.db2.gz WMYNWWNEKNGJLT-ONGXEEELSA-N 2 2 191.278 1.176 20 0 ADADLP CC[C@@H](C)C[N@@H+]1CCC[NH2+]CC1 38087045 351478758 /nfs/dbraw/zinc/47/87/58/351478758.db2.gz OPUAMWRCKZZTKS-SNVBAGLBSA-N 2 2 170.300 1.328 20 0 ADADLP CC[C@@H](C)C[N@H+]1CCC[NH2+]CC1 38087045 351478762 /nfs/dbraw/zinc/47/87/62/351478762.db2.gz OPUAMWRCKZZTKS-SNVBAGLBSA-N 2 2 170.300 1.328 20 0 ADADLP CC(C)C1CC[NH+](CC[NH3+])CC1 39104435 351491168 /nfs/dbraw/zinc/49/11/68/351491168.db2.gz LSHOJQBCWXOFET-UHFFFAOYSA-N 2 2 170.300 1.313 20 0 ADADLP CC(C)([NH3+])C[NH+]1Cc2ccccc2C1 39320559 351501362 /nfs/dbraw/zinc/50/13/62/351501362.db2.gz ZBSSNXOSQNVMNF-UHFFFAOYSA-N 2 2 190.290 1.740 20 0 ADADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCCC2)C1 40725357 351509760 /nfs/dbraw/zinc/50/97/60/351509760.db2.gz SUXPYVXGFWLNKG-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCCC2)C1 40725357 351509762 /nfs/dbraw/zinc/50/97/62/351509762.db2.gz SUXPYVXGFWLNKG-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP C[C@@H]1CC[N@H+](CC[NH2+]CC2CC2)C1 40725329 351510774 /nfs/dbraw/zinc/51/07/74/351510774.db2.gz BKCOWQPBMKXRKT-SNVBAGLBSA-N 2 2 182.311 1.328 20 0 ADADLP C[C@@H]1CC[N@@H+](CC[NH2+]CC2CC2)C1 40725329 351510777 /nfs/dbraw/zinc/51/07/77/351510777.db2.gz BKCOWQPBMKXRKT-SNVBAGLBSA-N 2 2 182.311 1.328 20 0 ADADLP C[C@@H]1C[C@@H](C)C[NH+](CC(C)(C)[NH3+])C1 40925810 351513371 /nfs/dbraw/zinc/51/33/71/351513371.db2.gz LKNODSQCBVNBAH-NXEZZACHSA-N 2 2 184.327 1.702 20 0 ADADLP CC(C)([NH3+])C[NH+]1CCCCCCC1 40925843 351513654 /nfs/dbraw/zinc/51/36/54/351513654.db2.gz NRVLBJXORNOKIZ-UHFFFAOYSA-N 2 2 184.327 1.990 20 0 ADADLP CC(C)C[NH2+]CCn1cc[nH+]c1 41041867 351514170 /nfs/dbraw/zinc/51/41/70/351514170.db2.gz BDVXVCIZZUMGKR-UHFFFAOYSA-N 2 2 167.256 1.129 20 0 ADADLP c1cn(CC[NH2+]C2CCCCC2)c[nH+]1 41041865 351514961 /nfs/dbraw/zinc/51/49/61/351514961.db2.gz RPXSDTSHAHVFDH-UHFFFAOYSA-N 2 2 193.294 1.805 20 0 ADADLP c1coc(C[NH2+]CCn2cc[nH+]c2)c1 41041862 351514899 /nfs/dbraw/zinc/51/48/99/351514899.db2.gz HSHNTQPATXPSDK-UHFFFAOYSA-N 2 2 191.234 1.266 20 0 ADADLP c1ccc(NCCn2cc[nH+]c2)[nH+]c1 41063102 351515556 /nfs/dbraw/zinc/51/55/56/351515556.db2.gz LXQLWDGEUCTZLU-UHFFFAOYSA-N 2 2 188.234 1.390 20 0 ADADLP c1cn(CC[NH+]2CCCCC2)c[nH+]1 41391479 351518616 /nfs/dbraw/zinc/51/86/16/351518616.db2.gz YVDCLXXFUITAFU-UHFFFAOYSA-N 2 2 179.267 1.369 20 0 ADADLP c1csc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 43324824 351527249 /nfs/dbraw/zinc/52/72/49/351527249.db2.gz MZVWZXPRKVGYHW-SECBINFHSA-N 2 2 196.319 1.590 20 0 ADADLP c1csc(C[NH2+][C@H]2CCC[NH2+]C2)c1 43324826 351527931 /nfs/dbraw/zinc/52/79/31/351527931.db2.gz MZVWZXPRKVGYHW-VIFPVBQESA-N 2 2 196.319 1.590 20 0 ADADLP c1cn(CCCC[NH2+]CC2CC2)c[nH+]1 45106064 351542023 /nfs/dbraw/zinc/54/20/23/351542023.db2.gz VNNKKKVACNEJMA-UHFFFAOYSA-N 2 2 193.294 1.663 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 70643637 351604941 /nfs/dbraw/zinc/60/49/41/351604941.db2.gz ZROJMAIEYVZPTQ-GMTAPVOTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 70643637 351604945 /nfs/dbraw/zinc/60/49/45/351604945.db2.gz ZROJMAIEYVZPTQ-GMTAPVOTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 70643635 351604977 /nfs/dbraw/zinc/60/49/77/351604977.db2.gz ZROJMAIEYVZPTQ-OUAUKWLOSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 70643635 351604980 /nfs/dbraw/zinc/60/49/80/351604980.db2.gz ZROJMAIEYVZPTQ-OUAUKWLOSA-N 2 2 182.311 1.469 20 0 ADADLP CC[C@H]([NH3+])C(=O)Nc1cc[nH+]c(C)c1 82247656 351634956 /nfs/dbraw/zinc/63/49/56/351634956.db2.gz WHAZFNNRDATZKK-VIFPVBQESA-N 2 2 193.250 1.066 20 0 ADADLP Cc1c[nH+]ccc1NC(=O)C(C)(C)[NH3+] 82247549 351634985 /nfs/dbraw/zinc/63/49/85/351634985.db2.gz QNEWWIBOUODAFE-UHFFFAOYSA-N 2 2 193.250 1.066 20 0 ADADLP CC[C@H]([NH3+])C(=O)Nc1cc[nH+]cc1C 82247658 351635040 /nfs/dbraw/zinc/63/50/40/351635040.db2.gz VYDJZRKSKDLCTP-QMMMGPOBSA-N 2 2 193.250 1.066 20 0 ADADLP Cc1cc(NC(=O)C(C)(C)[NH3+])cc[nH+]1 82247548 351635195 /nfs/dbraw/zinc/63/51/95/351635195.db2.gz NVBOIIKDRSWNDM-UHFFFAOYSA-N 2 2 193.250 1.066 20 0 ADADLP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H]([NH3+])C1 95068266 351666167 /nfs/dbraw/zinc/66/61/67/351666167.db2.gz HNBRKLFRSDANRY-VHSXEESVSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H]([NH3+])C1 95068266 351666169 /nfs/dbraw/zinc/66/61/69/351666169.db2.gz HNBRKLFRSDANRY-VHSXEESVSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@@H]1C[C@@H]([NH2+]C2CC2)C[N@H+]1C1CC1 107228130 351719166 /nfs/dbraw/zinc/71/91/66/351719166.db2.gz UUDYUWVYFCITOM-PSASIEDQSA-N 2 2 180.295 1.364 20 0 ADADLP C[C@@H]1C[C@H]([NH2+]C2CC2)C[N@@H+]1C1CC1 107228124 351718806 /nfs/dbraw/zinc/71/88/06/351718806.db2.gz UUDYUWVYFCITOM-SCZZXKLOSA-N 2 2 180.295 1.364 20 0 ADADLP C[C@@H]1C[C@H]([NH2+]C2CC2)C[N@H+]1C1CC1 107228124 351718812 /nfs/dbraw/zinc/71/88/12/351718812.db2.gz UUDYUWVYFCITOM-SCZZXKLOSA-N 2 2 180.295 1.364 20 0 ADADLP C[C@@H]1C[C@@H]([NH2+]C2CC2)C[N@@H+]1C1CC1 107228130 351719164 /nfs/dbraw/zinc/71/91/64/351719164.db2.gz UUDYUWVYFCITOM-PSASIEDQSA-N 2 2 180.295 1.364 20 0 ADADLP CC[C@H]([NH2+]CC[NH3+])c1cccc(F)c1 164077767 351763121 /nfs/dbraw/zinc/76/31/21/351763121.db2.gz ZLFYBADLMSWDDC-NSHDSACASA-N 2 2 196.269 1.825 20 0 ADADLP CC[C@@H]([NH2+]CC[NH3+])c1cccc(F)c1 164077872 351763401 /nfs/dbraw/zinc/76/34/01/351763401.db2.gz ZLFYBADLMSWDDC-LLVKDONJSA-N 2 2 196.269 1.825 20 0 ADADLP CC[C@H]([NH2+]CC[NH3+])c1ccc(F)cn1 164243077 351763952 /nfs/dbraw/zinc/76/39/52/351763952.db2.gz KIFIJNQTHPFEOT-VIFPVBQESA-N 2 2 197.257 1.220 20 0 ADADLP CC[C@@H]([NH2+]CC[NH3+])c1ccc(F)cn1 164243189 351764381 /nfs/dbraw/zinc/76/43/81/351764381.db2.gz KIFIJNQTHPFEOT-SECBINFHSA-N 2 2 197.257 1.220 20 0 ADADLP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@@H]1C 220374670 351792567 /nfs/dbraw/zinc/79/25/67/351792567.db2.gz MWRZDQAHBHDBPW-ZJUUUORDSA-N 2 2 184.327 1.702 20 0 ADADLP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@@H]1C 220374670 351792568 /nfs/dbraw/zinc/79/25/68/351792568.db2.gz MWRZDQAHBHDBPW-ZJUUUORDSA-N 2 2 184.327 1.702 20 0 ADADLP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@@H]1C 220374754 351792828 /nfs/dbraw/zinc/79/28/28/351792828.db2.gz MWRZDQAHBHDBPW-UWVGGRQHSA-N 2 2 184.327 1.702 20 0 ADADLP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@@H]1C 220374754 351792832 /nfs/dbraw/zinc/79/28/32/351792832.db2.gz MWRZDQAHBHDBPW-UWVGGRQHSA-N 2 2 184.327 1.702 20 0 ADADLP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])CCS1 220370513 351792986 /nfs/dbraw/zinc/79/29/86/351792986.db2.gz MJNHZPILTOTGJM-MRVPVSSYSA-N 2 2 188.340 1.161 20 0 ADADLP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CCS1 220370513 351792988 /nfs/dbraw/zinc/79/29/88/351792988.db2.gz MJNHZPILTOTGJM-MRVPVSSYSA-N 2 2 188.340 1.161 20 0 ADADLP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H]([NH3+])C1 224982187 351797066 /nfs/dbraw/zinc/79/70/66/351797066.db2.gz WMYNWWNEKNGJLT-GXSJLCMTSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@@H](c1cccnc1)[N@H+]1CC[C@@H]([NH3+])C1 224982187 351797069 /nfs/dbraw/zinc/79/70/69/351797069.db2.gz WMYNWWNEKNGJLT-GXSJLCMTSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H]([NH3+])C1 224982229 351797210 /nfs/dbraw/zinc/79/72/10/351797210.db2.gz WMYNWWNEKNGJLT-MWLCHTKSSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@H](c1cccnc1)[N@H+]1CC[C@@H]([NH3+])C1 224982229 351797213 /nfs/dbraw/zinc/79/72/13/351797213.db2.gz WMYNWWNEKNGJLT-MWLCHTKSSA-N 2 2 191.278 1.176 20 0 ADADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 238853572 351825567 /nfs/dbraw/zinc/82/55/67/351825567.db2.gz KDARILKINJYNQU-WOPDTQHZSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 238853572 351825569 /nfs/dbraw/zinc/82/55/69/351825569.db2.gz KDARILKINJYNQU-WOPDTQHZSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 238853571 351825610 /nfs/dbraw/zinc/82/56/10/351825610.db2.gz KDARILKINJYNQU-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 238853571 351825613 /nfs/dbraw/zinc/82/56/13/351825613.db2.gz KDARILKINJYNQU-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 238860523 351826425 /nfs/dbraw/zinc/82/64/25/351826425.db2.gz ZROJMAIEYVZPTQ-MXWKQRLJSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 238860523 351826426 /nfs/dbraw/zinc/82/64/26/351826426.db2.gz ZROJMAIEYVZPTQ-MXWKQRLJSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 238860524 351826687 /nfs/dbraw/zinc/82/66/87/351826687.db2.gz ZROJMAIEYVZPTQ-VWYCJHECSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 238860524 351826693 /nfs/dbraw/zinc/82/66/93/351826693.db2.gz ZROJMAIEYVZPTQ-VWYCJHECSA-N 2 2 182.311 1.469 20 0 ADADLP CC(C)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 250587286 351832682 /nfs/dbraw/zinc/83/26/82/351832682.db2.gz IXPMYEBFWIGUJC-WDEREUQCSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 250587286 351832683 /nfs/dbraw/zinc/83/26/83/351832683.db2.gz IXPMYEBFWIGUJC-WDEREUQCSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] 250587284 351832764 /nfs/dbraw/zinc/83/27/64/351832764.db2.gz IXPMYEBFWIGUJC-QWRGUYRKSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] 250587284 351832765 /nfs/dbraw/zinc/83/27/65/351832765.db2.gz IXPMYEBFWIGUJC-QWRGUYRKSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[C@H]1CCCC[N@H+]1C[C@H](C)[NH3+] 251306791 351834385 /nfs/dbraw/zinc/83/43/85/351834385.db2.gz JEFGTZDIFNASBC-WDEREUQCSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[C@H]1CCCC[N@@H+]1C[C@H](C)[NH3+] 251306791 351834390 /nfs/dbraw/zinc/83/43/90/351834390.db2.gz JEFGTZDIFNASBC-WDEREUQCSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[C@@H]1CCCC[N@H+]1C[C@H](C)[NH3+] 251306788 351834438 /nfs/dbraw/zinc/83/44/38/351834438.db2.gz JEFGTZDIFNASBC-QWRGUYRKSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[C@@H]1CCCC[N@@H+]1C[C@H](C)[NH3+] 251306788 351834440 /nfs/dbraw/zinc/83/44/40/351834440.db2.gz JEFGTZDIFNASBC-QWRGUYRKSA-N 2 2 184.327 1.844 20 0 ADADLP CC[C@@H]1C[N@H+](C[C@H](C)[NH3+])CCS1 253073235 351844444 /nfs/dbraw/zinc/84/44/44/351844444.db2.gz ORAHLBSGKWYUPZ-DTWKUNHWSA-N 2 2 188.340 1.161 20 0 ADADLP CC[C@@H]1C[N@@H+](C[C@H](C)[NH3+])CCS1 253073235 351844447 /nfs/dbraw/zinc/84/44/47/351844447.db2.gz ORAHLBSGKWYUPZ-DTWKUNHWSA-N 2 2 188.340 1.161 20 0 ADADLP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H]1C 252980546 351844486 /nfs/dbraw/zinc/84/44/86/351844486.db2.gz MWRZDQAHBHDBPW-VHSXEESVSA-N 2 2 184.327 1.702 20 0 ADADLP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H]1C 252980546 351844488 /nfs/dbraw/zinc/84/44/88/351844488.db2.gz MWRZDQAHBHDBPW-VHSXEESVSA-N 2 2 184.327 1.702 20 0 ADADLP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@H]1C 252980545 351844539 /nfs/dbraw/zinc/84/45/39/351844539.db2.gz MWRZDQAHBHDBPW-NXEZZACHSA-N 2 2 184.327 1.702 20 0 ADADLP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@H]1C 252980545 351844542 /nfs/dbraw/zinc/84/45/42/351844542.db2.gz MWRZDQAHBHDBPW-NXEZZACHSA-N 2 2 184.327 1.702 20 0 ADADLP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])o1 259186096 351870881 /nfs/dbraw/zinc/87/08/81/351870881.db2.gz WIJTVCRVUOGPFZ-GHMZBOCLSA-N 2 2 194.278 1.557 20 0 ADADLP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])o1 259186099 351871046 /nfs/dbraw/zinc/87/10/46/351871046.db2.gz WIJTVCRVUOGPFZ-WDEREUQCSA-N 2 2 194.278 1.557 20 0 ADADLP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])o1 259186097 351871114 /nfs/dbraw/zinc/87/11/14/351871114.db2.gz WIJTVCRVUOGPFZ-MNOVXSKESA-N 2 2 194.278 1.557 20 0 ADADLP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])o1 259186098 351871209 /nfs/dbraw/zinc/87/12/09/351871209.db2.gz WIJTVCRVUOGPFZ-QWRGUYRKSA-N 2 2 194.278 1.557 20 0 ADADLP CC(C)([NH3+])C[NH+]1CCC(F)(F)CC1 259378208 351873889 /nfs/dbraw/zinc/87/38/89/351873889.db2.gz GTJAZDWCFFXCKS-UHFFFAOYSA-N 2 2 192.253 1.455 20 0 ADADLP C[C@@H]([NH3+])C[NH+]1CCC(C)(F)CC1 259617101 351876584 /nfs/dbraw/zinc/87/65/84/351876584.db2.gz DXULPVIRVXGWIQ-MRVPVSSYSA-N 2 2 174.263 1.158 20 0 ADADLP C[C@H]([NH3+])C[NH+]1CCC(C)(F)CC1 259617123 351877056 /nfs/dbraw/zinc/87/70/56/351877056.db2.gz DXULPVIRVXGWIQ-QMMMGPOBSA-N 2 2 174.263 1.158 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCCC(F)(F)CC1 259681223 351878356 /nfs/dbraw/zinc/87/83/56/351878356.db2.gz JGESUTMKOVFGCW-QMMMGPOBSA-N 2 2 192.253 1.455 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCCC(F)(F)CC1 259681223 351878360 /nfs/dbraw/zinc/87/83/60/351878360.db2.gz JGESUTMKOVFGCW-QMMMGPOBSA-N 2 2 192.253 1.455 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCCC(F)(F)CC1 259681214 351878417 /nfs/dbraw/zinc/87/84/17/351878417.db2.gz JGESUTMKOVFGCW-MRVPVSSYSA-N 2 2 192.253 1.455 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCCC(F)(F)CC1 259681214 351878423 /nfs/dbraw/zinc/87/84/23/351878423.db2.gz JGESUTMKOVFGCW-MRVPVSSYSA-N 2 2 192.253 1.455 20 0 ADADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 259878245 351881332 /nfs/dbraw/zinc/88/13/32/351881332.db2.gz YFPYMIRYOBDSPT-SECBINFHSA-N 2 2 182.311 1.469 20 0 ADADLP C[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 259878245 351881334 /nfs/dbraw/zinc/88/13/34/351881334.db2.gz YFPYMIRYOBDSPT-SECBINFHSA-N 2 2 182.311 1.469 20 0 ADADLP C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 259878258 351881340 /nfs/dbraw/zinc/88/13/40/351881340.db2.gz YFPYMIRYOBDSPT-VIFPVBQESA-N 2 2 182.311 1.469 20 0 ADADLP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 259878258 351881343 /nfs/dbraw/zinc/88/13/43/351881343.db2.gz YFPYMIRYOBDSPT-VIFPVBQESA-N 2 2 182.311 1.469 20 0 ADADLP FCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893610 351894422 /nfs/dbraw/zinc/89/44/22/351894422.db2.gz MVARFKBVDVKAJN-VHSXEESVSA-N 2 2 186.274 1.030 20 0 ADADLP FCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893610 351894424 /nfs/dbraw/zinc/89/44/24/351894424.db2.gz MVARFKBVDVKAJN-VHSXEESVSA-N 2 2 186.274 1.030 20 0 ADADLP C[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1[NH3+] 300046961 351894977 /nfs/dbraw/zinc/89/49/77/351894977.db2.gz BLDBNBLKEYFHTQ-PSASIEDQSA-N 2 2 196.319 1.527 20 0 ADADLP C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1[NH3+] 300046961 351894980 /nfs/dbraw/zinc/89/49/80/351894980.db2.gz BLDBNBLKEYFHTQ-PSASIEDQSA-N 2 2 196.319 1.527 20 0 ADADLP C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1[NH3+] 300050149 351895204 /nfs/dbraw/zinc/89/52/04/351895204.db2.gz XQEUQZZXGFBNMT-PSASIEDQSA-N 2 2 196.319 1.527 20 0 ADADLP C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1[NH3+] 300050149 351895206 /nfs/dbraw/zinc/89/52/06/351895206.db2.gz XQEUQZZXGFBNMT-PSASIEDQSA-N 2 2 196.319 1.527 20 0 ADADLP C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1[NH3+] 300047713 351895250 /nfs/dbraw/zinc/89/52/50/351895250.db2.gz FCQSMEXQWWYVRB-RNFRBKRXSA-N 2 2 196.216 1.218 20 0 ADADLP C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1[NH3+] 300047713 351895252 /nfs/dbraw/zinc/89/52/52/351895252.db2.gz FCQSMEXQWWYVRB-RNFRBKRXSA-N 2 2 196.216 1.218 20 0 ADADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C 306289749 351916988 /nfs/dbraw/zinc/91/69/88/351916988.db2.gz OVRMBHMZCUWCIT-NXEZZACHSA-N 2 2 184.327 1.572 20 0 ADADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C 306289749 351916991 /nfs/dbraw/zinc/91/69/91/351916991.db2.gz OVRMBHMZCUWCIT-NXEZZACHSA-N 2 2 184.327 1.572 20 0 ADADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C 306289752 351917028 /nfs/dbraw/zinc/91/70/28/351917028.db2.gz OVRMBHMZCUWCIT-ZJUUUORDSA-N 2 2 184.327 1.572 20 0 ADADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C 306289752 351917030 /nfs/dbraw/zinc/91/70/30/351917030.db2.gz OVRMBHMZCUWCIT-ZJUUUORDSA-N 2 2 184.327 1.572 20 0 ADADLP c1[nH+]cn2c1C[N@H+](CC1CC1)CC2 306302663 351918636 /nfs/dbraw/zinc/91/86/36/351918636.db2.gz CHEBTEWCQFEHCB-UHFFFAOYSA-N 2 2 177.251 1.109 20 0 ADADLP c1[nH+]cn2c1C[N@@H+](CC1CC1)CC2 306302663 351918640 /nfs/dbraw/zinc/91/86/40/351918640.db2.gz CHEBTEWCQFEHCB-UHFFFAOYSA-N 2 2 177.251 1.109 20 0 ADADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCCCC1 306380764 351924291 /nfs/dbraw/zinc/92/42/91/351924291.db2.gz OKRGDBXGOULKCI-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCCCC1 306380764 351924295 /nfs/dbraw/zinc/92/42/95/351924295.db2.gz OKRGDBXGOULKCI-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCCCC1 306380765 351924418 /nfs/dbraw/zinc/92/44/18/351924418.db2.gz OKRGDBXGOULKCI-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCCCC1 306380765 351924420 /nfs/dbraw/zinc/92/44/20/351924420.db2.gz OKRGDBXGOULKCI-ZYHUDNBSSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CCC1 306401976 351926313 /nfs/dbraw/zinc/92/63/13/351926313.db2.gz 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C[C@@H]1CCCC[N@H+](CC(C)(C)[NH3+])C1 306788698 351965958 /nfs/dbraw/zinc/96/59/58/351965958.db2.gz OMZPTPSGJQZFKD-SNVBAGLBSA-N 2 2 184.327 1.846 20 0 ADADLP C[C@@H]1CCCC[N@@H+](CC(C)(C)[NH3+])C1 306788698 351965960 /nfs/dbraw/zinc/96/59/60/351965960.db2.gz OMZPTPSGJQZFKD-SNVBAGLBSA-N 2 2 184.327 1.846 20 0 ADADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccccn1 306835816 351967994 /nfs/dbraw/zinc/96/79/94/351967994.db2.gz SXUANHTVIWKRTG-ZJUUUORDSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccccn1 306835815 351967909 /nfs/dbraw/zinc/96/79/09/351967909.db2.gz SXUANHTVIWKRTG-VHSXEESVSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccccn1 306835815 351967912 /nfs/dbraw/zinc/96/79/12/351967912.db2.gz SXUANHTVIWKRTG-VHSXEESVSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccccn1 306835814 351967957 /nfs/dbraw/zinc/96/79/57/351967957.db2.gz SXUANHTVIWKRTG-UWVGGRQHSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccccn1 306835814 351967960 /nfs/dbraw/zinc/96/79/60/351967960.db2.gz SXUANHTVIWKRTG-UWVGGRQHSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccccn1 306835813 351967969 /nfs/dbraw/zinc/96/79/69/351967969.db2.gz SXUANHTVIWKRTG-NXEZZACHSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccccn1 306835813 351967972 /nfs/dbraw/zinc/96/79/72/351967972.db2.gz SXUANHTVIWKRTG-NXEZZACHSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccccn1 306835816 351967991 /nfs/dbraw/zinc/96/79/91/351967991.db2.gz SXUANHTVIWKRTG-ZJUUUORDSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccncc1 307031946 351982346 /nfs/dbraw/zinc/98/23/46/351982346.db2.gz RCDPHTIIDKNZSS-MWLCHTKSSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccncc1 307031946 351982347 /nfs/dbraw/zinc/98/23/47/351982347.db2.gz RCDPHTIIDKNZSS-MWLCHTKSSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccncc1 307031947 351982383 /nfs/dbraw/zinc/98/23/83/351982383.db2.gz RCDPHTIIDKNZSS-ONGXEEELSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccncc1 307031947 351982385 /nfs/dbraw/zinc/98/23/85/351982385.db2.gz RCDPHTIIDKNZSS-ONGXEEELSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccncc1 307031944 351982402 /nfs/dbraw/zinc/98/24/02/351982402.db2.gz RCDPHTIIDKNZSS-GXSJLCMTSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccncc1 307031944 351982404 /nfs/dbraw/zinc/98/24/04/351982404.db2.gz RCDPHTIIDKNZSS-GXSJLCMTSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccncc1 307031945 351982428 /nfs/dbraw/zinc/98/24/28/351982428.db2.gz RCDPHTIIDKNZSS-KOLCDFICSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccncc1 307031945 351982429 /nfs/dbraw/zinc/98/24/29/351982429.db2.gz RCDPHTIIDKNZSS-KOLCDFICSA-N 2 2 191.278 1.003 20 0 ADADLP C[C@@H]1CC[C@H]([N@H+](C)CC(C)(C)[NH3+])C1 307224968 351996756 /nfs/dbraw/zinc/99/67/56/351996756.db2.gz TVZHKHHGGSOSTG-ZJUUUORDSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@@H]1CC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1 307224968 351996757 /nfs/dbraw/zinc/99/67/57/351996757.db2.gz TVZHKHHGGSOSTG-ZJUUUORDSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@@H]1CC[C@@H]([N@H+](C)CC(C)(C)[NH3+])C1 307224965 351996856 /nfs/dbraw/zinc/99/68/56/351996856.db2.gz TVZHKHHGGSOSTG-NXEZZACHSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@@H]1CC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1 307224965 351996857 /nfs/dbraw/zinc/99/68/57/351996857.db2.gz TVZHKHHGGSOSTG-NXEZZACHSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[NH2+][C@H]1CCn2cc[nH+]c2C1 307302384 352002213 /nfs/dbraw/zinc/00/22/13/352002213.db2.gz VFHXCXRGYKVRBV-JTQLQIEISA-N 2 2 193.294 1.444 20 0 ADADLP CC(C)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 307302385 352002231 /nfs/dbraw/zinc/00/22/31/352002231.db2.gz VFHXCXRGYKVRBV-SNVBAGLBSA-N 2 2 193.294 1.444 20 0 ADADLP CC(C)([NH3+])C[N@@H+]1CC[C@@](C)(F)C1 307453620 352014064 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/nfs/dbraw/zinc/08/24/93/352082493.db2.gz HFPYOEIYBCTJOJ-GHMZBOCLSA-N 2 2 193.294 1.756 20 0 ADADLP c1cc(C[NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)cs1 334833577 352083725 /nfs/dbraw/zinc/08/37/25/352083725.db2.gz QPOIHSNFFZESLA-MYJAWHEDSA-N 2 2 194.303 1.056 20 0 ADADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccoc1 335043739 352088497 /nfs/dbraw/zinc/08/84/97/352088497.db2.gz SFGGQJKDYWSPGE-KOLCDFICSA-N 2 2 194.278 1.367 20 0 ADADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccoc1 335043740 352088578 /nfs/dbraw/zinc/08/85/78/352088578.db2.gz SFGGQJKDYWSPGE-MWLCHTKSSA-N 2 2 194.278 1.367 20 0 ADADLP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C 335307044 352094346 /nfs/dbraw/zinc/09/43/46/352094346.db2.gz JPZWPWODKNAGPE-NEPJUHHUSA-N 2 2 196.338 1.811 20 0 ADADLP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C 335307044 352094347 /nfs/dbraw/zinc/09/43/47/352094347.db2.gz JPZWPWODKNAGPE-NEPJUHHUSA-N 2 2 196.338 1.811 20 0 ADADLP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C 335307044 352094349 /nfs/dbraw/zinc/09/43/49/352094349.db2.gz JPZWPWODKNAGPE-NEPJUHHUSA-N 2 2 196.338 1.811 20 0 ADADLP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C 335307044 352094352 /nfs/dbraw/zinc/09/43/52/352094352.db2.gz JPZWPWODKNAGPE-NEPJUHHUSA-N 2 2 196.338 1.811 20 0 ADADLP CC(C)=CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 335599103 352105886 /nfs/dbraw/zinc/10/58/86/352105886.db2.gz NMOXFRCTXXMORF-WDEREUQCSA-N 2 2 182.311 1.540 20 0 ADADLP CC(C)=CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 335599102 352105999 /nfs/dbraw/zinc/10/59/99/352105999.db2.gz NMOXFRCTXXMORF-QWRGUYRKSA-N 2 2 182.311 1.540 20 0 ADADLP CC(C)=CC[NH2+][C@H]1C[NH2+]CC[C@H]1C 335599100 352106009 /nfs/dbraw/zinc/10/60/09/352106009.db2.gz NMOXFRCTXXMORF-MNOVXSKESA-N 2 2 182.311 1.540 20 0 ADADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 336001114 352121995 /nfs/dbraw/zinc/12/19/95/352121995.db2.gz WZJXUHYJCZXPPD-SNVBAGLBSA-N 2 2 193.294 1.304 20 0 ADADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 336001114 352121998 /nfs/dbraw/zinc/12/19/98/352121998.db2.gz WZJXUHYJCZXPPD-SNVBAGLBSA-N 2 2 193.294 1.304 20 0 ADADLP CC(C)CC[N@@H+]1CCn2c[nH+]cc2C1 336009799 352122117 /nfs/dbraw/zinc/12/21/17/352122117.db2.gz HATKUZBGPMCBSS-UHFFFAOYSA-N 2 2 193.294 1.745 20 0 ADADLP CC(C)CC[N@H+]1CCn2c[nH+]cc2C1 336009799 352122120 /nfs/dbraw/zinc/12/21/20/352122120.db2.gz HATKUZBGPMCBSS-UHFFFAOYSA-N 2 2 193.294 1.745 20 0 ADADLP CC[C@@H](C)C[N@@H+]1CCn2c[nH+]cc2C1 336012214 352122669 /nfs/dbraw/zinc/12/26/69/352122669.db2.gz ATZJXRDFEDCOEI-SNVBAGLBSA-N 2 2 193.294 1.745 20 0 ADADLP CC[C@@H](C)C[N@H+]1CCn2c[nH+]cc2C1 336012214 352122671 /nfs/dbraw/zinc/12/26/71/352122671.db2.gz ATZJXRDFEDCOEI-SNVBAGLBSA-N 2 2 193.294 1.745 20 0 ADADLP C[C@@H]1C[C@H]1C[N@H+]1CCn2c[nH+]cc2C1 336400943 352140645 /nfs/dbraw/zinc/14/06/45/352140645.db2.gz ZMFNJJGTHUMJRG-ZJUUUORDSA-N 2 2 191.278 1.355 20 0 ADADLP C[C@@H]1C[C@@H]1C[N@H+]1CCn2c[nH+]cc2C1 336400940 352140657 /nfs/dbraw/zinc/14/06/57/352140657.db2.gz ZMFNJJGTHUMJRG-NXEZZACHSA-N 2 2 191.278 1.355 20 0 ADADLP C[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 336555678 352147423 /nfs/dbraw/zinc/14/74/23/352147423.db2.gz TXKKXHFIPOHVJR-LLVKDONJSA-N 2 2 193.294 1.758 20 0 ADADLP C[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 336555678 352147426 /nfs/dbraw/zinc/14/74/26/352147426.db2.gz TXKKXHFIPOHVJR-LLVKDONJSA-N 2 2 193.294 1.758 20 0 ADADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]1C 336554077 352147587 /nfs/dbraw/zinc/14/75/87/352147587.db2.gz NKLZKUXGFWMLGP-GHMZBOCLSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]1C 336554077 352147591 /nfs/dbraw/zinc/14/75/91/352147591.db2.gz NKLZKUXGFWMLGP-GHMZBOCLSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 336631414 352151241 /nfs/dbraw/zinc/15/12/41/352151241.db2.gz JQMQCTBCLPIOJF-SNVBAGLBSA-N 2 2 179.267 1.367 20 0 ADADLP C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 336631414 352151243 /nfs/dbraw/zinc/15/12/43/352151243.db2.gz JQMQCTBCLPIOJF-SNVBAGLBSA-N 2 2 179.267 1.367 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CC12CC2 527900920 352173111 /nfs/dbraw/zinc/17/31/11/352173111.db2.gz QQAYOPGQFBVVJJ-DCAQKATOSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CC12CC2 527903181 352173168 /nfs/dbraw/zinc/17/31/68/352173168.db2.gz XRMHJRIYWVCQFO-ZJUUUORDSA-N 2 2 182.311 1.326 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CC12CC2 527900921 352173304 /nfs/dbraw/zinc/17/33/04/352173304.db2.gz QQAYOPGQFBVVJJ-GARJFASQSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@H](Cn1cc[nH+]c1C1CC1)[NH+](C)C 530129486 352185820 /nfs/dbraw/zinc/18/58/20/352185820.db2.gz LBDYCAMSGHDLRB-SECBINFHSA-N 2 2 193.294 1.711 20 0 ADADLP C[NH+](C)CCn1cc[nH+]c1C1CC1 530131728 352185862 /nfs/dbraw/zinc/18/58/62/352185862.db2.gz RVMXZEOQLCSSNB-UHFFFAOYSA-N 2 2 179.267 1.322 20 0 ADADLP C[C@@H](Cn1cc[nH+]c1C1CC1)[NH+](C)C 530129488 352186186 /nfs/dbraw/zinc/18/61/86/352186186.db2.gz LBDYCAMSGHDLRB-VIFPVBQESA-N 2 2 193.294 1.711 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCC(F)(F)C[C@H]1C 530233574 352187635 /nfs/dbraw/zinc/18/76/35/352187635.db2.gz XEKOMQJCQDQPLR-JGVFFNPUSA-N 2 2 192.253 1.453 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCC(F)(F)C[C@H]1C 530233574 352187638 /nfs/dbraw/zinc/18/76/38/352187638.db2.gz XEKOMQJCQDQPLR-JGVFFNPUSA-N 2 2 192.253 1.453 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCC(F)(F)C[C@H]1C 530233573 352187970 /nfs/dbraw/zinc/18/79/70/352187970.db2.gz XEKOMQJCQDQPLR-HTQZYQBOSA-N 2 2 192.253 1.453 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCC(F)(F)C[C@H]1C 530233573 352187974 /nfs/dbraw/zinc/18/79/74/352187974.db2.gz XEKOMQJCQDQPLR-HTQZYQBOSA-N 2 2 192.253 1.453 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCC(F)(F)C[C@@H]1C 530233576 352188210 /nfs/dbraw/zinc/18/82/10/352188210.db2.gz XEKOMQJCQDQPLR-YUMQZZPRSA-N 2 2 192.253 1.453 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCC(F)(F)C[C@@H]1C 530233576 352188212 /nfs/dbraw/zinc/18/82/12/352188212.db2.gz XEKOMQJCQDQPLR-YUMQZZPRSA-N 2 2 192.253 1.453 20 0 ADADLP C[C@@H]1CC(F)(F)CC[N@@H+]1CC[NH3+] 530231526 352188230 /nfs/dbraw/zinc/18/82/30/352188230.db2.gz JBKXQBLLASABOR-SSDOTTSWSA-N 2 2 178.226 1.065 20 0 ADADLP C[C@@H]1CC(F)(F)CC[N@H+]1CC[NH3+] 530231526 352188232 /nfs/dbraw/zinc/18/82/32/352188232.db2.gz JBKXQBLLASABOR-SSDOTTSWSA-N 2 2 178.226 1.065 20 0 ADADLP C[C@H]1CC(F)(F)CC[N@@H+]1CC[NH3+] 530231527 352188297 /nfs/dbraw/zinc/18/82/97/352188297.db2.gz JBKXQBLLASABOR-ZETCQYMHSA-N 2 2 178.226 1.065 20 0 ADADLP C[C@H]1CC(F)(F)CC[N@H+]1CC[NH3+] 530231527 352188299 /nfs/dbraw/zinc/18/82/99/352188299.db2.gz JBKXQBLLASABOR-ZETCQYMHSA-N 2 2 178.226 1.065 20 0 ADADLP C[C@H]1CC(F)(F)CC[N@H+]1C[C@@H](C)[NH3+] 530233575 352188364 /nfs/dbraw/zinc/18/83/64/352188364.db2.gz XEKOMQJCQDQPLR-SFYZADRCSA-N 2 2 192.253 1.453 20 0 ADADLP C[C@H]1CC(F)(F)CC[N@@H+]1C[C@@H](C)[NH3+] 530233575 352188367 /nfs/dbraw/zinc/18/83/67/352188367.db2.gz XEKOMQJCQDQPLR-SFYZADRCSA-N 2 2 192.253 1.453 20 0 ADADLP CCC(CC)[NH+]1CC2(C[NH2+]C2)C1 536955560 352193019 /nfs/dbraw/zinc/19/30/19/352193019.db2.gz ZMARQRRUFHATRM-UHFFFAOYSA-N 2 2 168.284 1.080 20 0 ADADLP CC1([NH3+])CC[NH+](C/C=C/Cl)CC1 575496589 352386007 /nfs/dbraw/zinc/38/60/07/352386007.db2.gz POJSMZIADATYLH-GORDUTHDSA-N 2 2 188.702 1.552 20 0 ADADLP F[C@H]1C[NH2+]CC[C@@H]1[NH+]1CCCCC1 575499012 352398114 /nfs/dbraw/zinc/39/81/14/352398114.db2.gz PPNYOPTVJSKOPB-UWVGGRQHSA-N 2 2 186.274 1.172 20 0 ADADLP C1=C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 575500689 352407974 /nfs/dbraw/zinc/40/79/74/352407974.db2.gz HFFKLNYQPZKGSY-ZJUUUORDSA-N 2 2 166.268 1.047 20 0 ADADLP C1=C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 575500687 352408138 /nfs/dbraw/zinc/40/81/38/352408138.db2.gz HFFKLNYQPZKGSY-VHSXEESVSA-N 2 2 166.268 1.047 20 0 ADADLP C1=C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 575500685 352408370 /nfs/dbraw/zinc/40/83/70/352408370.db2.gz HFFKLNYQPZKGSY-NXEZZACHSA-N 2 2 166.268 1.047 20 0 ADADLP C1=C[C@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 575500686 352408438 /nfs/dbraw/zinc/40/84/38/352408438.db2.gz HFFKLNYQPZKGSY-UWVGGRQHSA-N 2 2 166.268 1.047 20 0 ADADLP C[C@@H]([NH3+])Cc1cn2c([nH+]1)CCCC2 575546425 352625798 /nfs/dbraw/zinc/62/57/98/352625798.db2.gz SQEKTYOWQIRCEF-MRVPVSSYSA-N 2 2 179.267 1.109 20 0 ADADLP FCCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643065977 352935974 /nfs/dbraw/zinc/93/59/74/352935974.db2.gz JACLMNLKNRTRLV-NXEZZACHSA-N 2 2 186.274 1.030 20 0 ADADLP FCCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643065980 352935751 /nfs/dbraw/zinc/93/57/51/352935751.db2.gz JACLMNLKNRTRLV-ZJUUUORDSA-N 2 2 186.274 1.030 20 0 ADADLP FCCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643065980 352935752 /nfs/dbraw/zinc/93/57/52/352935752.db2.gz JACLMNLKNRTRLV-ZJUUUORDSA-N 2 2 186.274 1.030 20 0 ADADLP FCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643065979 352935817 /nfs/dbraw/zinc/93/58/17/352935817.db2.gz JACLMNLKNRTRLV-VHSXEESVSA-N 2 2 186.274 1.030 20 0 ADADLP FCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643065979 352935819 /nfs/dbraw/zinc/93/58/19/352935819.db2.gz JACLMNLKNRTRLV-VHSXEESVSA-N 2 2 186.274 1.030 20 0 ADADLP FCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643065978 352935877 /nfs/dbraw/zinc/93/58/77/352935877.db2.gz JACLMNLKNRTRLV-UWVGGRQHSA-N 2 2 186.274 1.030 20 0 ADADLP FCCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643065978 352935879 /nfs/dbraw/zinc/93/58/79/352935879.db2.gz JACLMNLKNRTRLV-UWVGGRQHSA-N 2 2 186.274 1.030 20 0 ADADLP FCCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643065977 352935973 /nfs/dbraw/zinc/93/59/73/352935973.db2.gz JACLMNLKNRTRLV-NXEZZACHSA-N 2 2 186.274 1.030 20 0 ADADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccno1 643075622 352936643 /nfs/dbraw/zinc/93/66/43/352936643.db2.gz HXEQZSRKPBGJJW-VIFPVBQESA-N 2 2 197.282 1.138 20 0 ADADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccno1 643075621 352936713 /nfs/dbraw/zinc/93/67/13/352936713.db2.gz HXEQZSRKPBGJJW-SECBINFHSA-N 2 2 197.282 1.138 20 0 ADADLP C[C@H](C[N@H+](C)CC[NH3+])c1nccs1 643078353 352937466 /nfs/dbraw/zinc/93/74/66/352937466.db2.gz LUQQPKZGOZKCCH-MRVPVSSYSA-N 2 2 199.323 1.137 20 0 ADADLP C[C@@H](C[N@H+](C)CC[NH3+])c1nccs1 643078354 352937497 /nfs/dbraw/zinc/93/74/97/352937497.db2.gz LUQQPKZGOZKCCH-QMMMGPOBSA-N 2 2 199.323 1.137 20 0 ADADLP C[C@@H](C[N@@H+](C)CC[NH3+])c1nccs1 643078354 352937499 /nfs/dbraw/zinc/93/74/99/352937499.db2.gz LUQQPKZGOZKCCH-QMMMGPOBSA-N 2 2 199.323 1.137 20 0 ADADLP [NH3+]C[C@H]([NH2+]CCF)C1CCCCC1 643077677 352937512 /nfs/dbraw/zinc/93/75/12/352937512.db2.gz GSJQHOLINKMJRN-JTQLQIEISA-N 2 2 188.290 1.453 20 0 ADADLP [NH3+]C[C@@H]([NH2+]CCF)C1CCCCC1 643077678 352937668 /nfs/dbraw/zinc/93/76/68/352937668.db2.gz GSJQHOLINKMJRN-SNVBAGLBSA-N 2 2 188.290 1.453 20 0 ADADLP CCc1cccc(C[N@H+](C)CC[NH3+])c1 643081373 352937831 /nfs/dbraw/zinc/93/78/31/352937831.db2.gz QWRXKPYGVQTHAW-UHFFFAOYSA-N 2 2 192.306 1.640 20 0 ADADLP CCc1cccc(C[N@@H+](C)CC[NH3+])c1 643081373 352937834 /nfs/dbraw/zinc/93/78/34/352937834.db2.gz QWRXKPYGVQTHAW-UHFFFAOYSA-N 2 2 192.306 1.640 20 0 ADADLP C[N@H+](CC[NH3+])CCCc1ccsc1 643081382 352937987 /nfs/dbraw/zinc/93/79/87/352937987.db2.gz SHKFDIWJIYYGMJ-UHFFFAOYSA-N 2 2 198.335 1.571 20 0 ADADLP C[N@@H+](CC[NH3+])CCCc1ccsc1 643081382 352937990 /nfs/dbraw/zinc/93/79/90/352937990.db2.gz SHKFDIWJIYYGMJ-UHFFFAOYSA-N 2 2 198.335 1.571 20 0 ADADLP Cc1occc1C[NH2+][C@H]1CCC[C@H]1[NH3+] 643472243 352959782 /nfs/dbraw/zinc/95/97/82/352959782.db2.gz KWXRXLUPGQDCGP-MNOVXSKESA-N 2 2 194.278 1.557 20 0 ADADLP Cc1occc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] 643472242 352959874 /nfs/dbraw/zinc/95/98/74/352959874.db2.gz KWXRXLUPGQDCGP-GHMZBOCLSA-N 2 2 194.278 1.557 20 0 ADADLP Cc1occc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 643472245 352959894 /nfs/dbraw/zinc/95/98/94/352959894.db2.gz KWXRXLUPGQDCGP-WDEREUQCSA-N 2 2 194.278 1.557 20 0 ADADLP Cc1occc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] 643472244 352959996 /nfs/dbraw/zinc/95/99/96/352959996.db2.gz KWXRXLUPGQDCGP-QWRGUYRKSA-N 2 2 194.278 1.557 20 0 ADADLP Cc1ccc(N[C@H](C)C[C@@H](C)[NH3+])c[nH+]1 643478607 352961581 /nfs/dbraw/zinc/96/15/81/352961581.db2.gz NBMIXFFKDJIICC-PSASIEDQSA-N 2 2 193.294 1.928 20 0 ADADLP Cc1ccc(N[C@H](C)C[C@H](C)[NH3+])c[nH+]1 643478609 352961785 /nfs/dbraw/zinc/96/17/85/352961785.db2.gz NBMIXFFKDJIICC-WCBMZHEXSA-N 2 2 193.294 1.928 20 0 ADADLP Cc1ccc(N[C@@H](C)C[C@H](C)[NH3+])c[nH+]1 643478610 352961926 /nfs/dbraw/zinc/96/19/26/352961926.db2.gz NBMIXFFKDJIICC-WPRPVWTQSA-N 2 2 193.294 1.928 20 0 ADADLP Cc1ccc(N[C@@H](C)C[C@@H](C)[NH3+])c[nH+]1 643478608 352961963 /nfs/dbraw/zinc/96/19/63/352961963.db2.gz NBMIXFFKDJIICC-SCZZXKLOSA-N 2 2 193.294 1.928 20 0 ADADLP CC[C@H]([NH2+]CCF)[C@@H]1CCC[NH2+]1 643487264 352963442 /nfs/dbraw/zinc/96/34/42/352963442.db2.gz BHNAKUJRSHMWOY-IUCAKERBSA-N 2 2 174.263 1.076 20 0 ADADLP CC[C@@H]([NH2+]CCF)[C@@H]1CCC[NH2+]1 643487263 352963650 /nfs/dbraw/zinc/96/36/50/352963650.db2.gz BHNAKUJRSHMWOY-BDAKNGLRSA-N 2 2 174.263 1.076 20 0 ADADLP Cc1ccoc1C[NH2+][C@H](C)C1C[NH2+]C1 643490365 352964321 /nfs/dbraw/zinc/96/43/21/352964321.db2.gz FCHVCEBRVQNYSX-SECBINFHSA-N 2 2 194.278 1.286 20 0 ADADLP Cc1ccoc1C[NH2+][C@@H](C)C1C[NH2+]C1 643490366 352964432 /nfs/dbraw/zinc/96/44/32/352964432.db2.gz FCHVCEBRVQNYSX-VIFPVBQESA-N 2 2 194.278 1.286 20 0 ADADLP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(F)F 643491440 352965242 /nfs/dbraw/zinc/96/52/42/352965242.db2.gz YVGFUXZCOXNTEI-CSMHCCOUSA-N 2 2 194.269 1.746 20 0 ADADLP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(F)F 643491442 352965329 /nfs/dbraw/zinc/96/53/29/352965329.db2.gz YVGFUXZCOXNTEI-PRJMDXOYSA-N 2 2 194.269 1.746 20 0 ADADLP CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(F)F 643491441 352965530 /nfs/dbraw/zinc/96/55/30/352965530.db2.gz YVGFUXZCOXNTEI-FXQIFTODSA-N 2 2 194.269 1.746 20 0 ADADLP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(F)F 643491443 352965598 /nfs/dbraw/zinc/96/55/98/352965598.db2.gz YVGFUXZCOXNTEI-RNJXMRFFSA-N 2 2 194.269 1.746 20 0 ADADLP CC/C=C\C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643492416 352966448 /nfs/dbraw/zinc/96/64/48/352966448.db2.gz OLNXXJCPODDZFT-NRFYAWERSA-N 2 2 182.311 1.540 20 0 ADADLP CC/C=C/C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643492415 352966459 /nfs/dbraw/zinc/96/64/59/352966459.db2.gz OLNXXJCPODDZFT-BXXZLRJFSA-N 2 2 182.311 1.540 20 0 ADADLP CC/C=C\C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643492417 352966515 /nfs/dbraw/zinc/96/65/15/352966515.db2.gz OLNXXJCPODDZFT-WQMVXFAESA-N 2 2 182.311 1.540 20 0 ADADLP CC/C=C/C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643492418 352966631 /nfs/dbraw/zinc/96/66/31/352966631.db2.gz OLNXXJCPODDZFT-XKFHPXPTSA-N 2 2 182.311 1.540 20 0 ADADLP c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CC[NH2+]C2)c1 643495521 352967952 /nfs/dbraw/zinc/96/79/52/352967952.db2.gz KEKOWXZKFBHLHW-IVZWLZJFSA-N 2 2 192.262 1.087 20 0 ADADLP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CC[NH2+]C2)c1 643495522 352967992 /nfs/dbraw/zinc/96/79/92/352967992.db2.gz KEKOWXZKFBHLHW-OPRDCNLKSA-N 2 2 192.262 1.087 20 0 ADADLP Cc1ccc([C@H](C)[NH2+]CC[NH3+])c(C)n1 643495664 352968185 /nfs/dbraw/zinc/96/81/85/352968185.db2.gz AGONOSFQZDJVRB-VIFPVBQESA-N 2 2 193.294 1.308 20 0 ADADLP Cc1ccc([C@@H](C)[NH2+]CC[NH3+])c(C)n1 643495663 352968660 /nfs/dbraw/zinc/96/86/60/352968660.db2.gz AGONOSFQZDJVRB-SECBINFHSA-N 2 2 193.294 1.308 20 0 ADADLP CCc1cccnc1[C@@H](C)[NH2+]CC[NH3+] 643495782 352968981 /nfs/dbraw/zinc/96/89/81/352968981.db2.gz GLSFTIFMPJKFTA-SECBINFHSA-N 2 2 193.294 1.253 20 0 ADADLP CCC[C@@H]([NH2+]CC[NH3+])c1ccccn1 643495740 352969030 /nfs/dbraw/zinc/96/90/30/352969030.db2.gz UPBUDGXTJUHLPS-SNVBAGLBSA-N 2 2 193.294 1.471 20 0 ADADLP Cc1cc([C@@H](C)[NH2+]CC[NH3+])oc1C 643495836 352969058 /nfs/dbraw/zinc/96/90/58/352969058.db2.gz QZRZASDHKLRPJI-MRVPVSSYSA-N 2 2 182.267 1.506 20 0 ADADLP CCC[C@H]([NH2+]CC[NH3+])c1cccnc1 643495874 352969105 /nfs/dbraw/zinc/96/91/05/352969105.db2.gz YLAPKALNPGDCPN-NSHDSACASA-N 2 2 193.294 1.471 20 0 ADADLP CCc1ccc([C@H](C)[NH2+]CC[NH3+])o1 643495742 352969451 /nfs/dbraw/zinc/96/94/51/352969451.db2.gz VCHNLRMMAJQWOI-QMMMGPOBSA-N 2 2 182.267 1.451 20 0 ADADLP CCc1ccc([C@@H](C)[NH2+]CC[NH3+])o1 643495741 352969429 /nfs/dbraw/zinc/96/94/29/352969429.db2.gz VCHNLRMMAJQWOI-MRVPVSSYSA-N 2 2 182.267 1.451 20 0 ADADLP CCC[C@@H]([NH2+]CC[NH3+])c1cccnc1 643495873 352969476 /nfs/dbraw/zinc/96/94/76/352969476.db2.gz YLAPKALNPGDCPN-LLVKDONJSA-N 2 2 193.294 1.471 20 0 ADADLP CCC[C@H]([NH2+]CC[NH3+])c1ccccn1 643495739 352969549 /nfs/dbraw/zinc/96/95/49/352969549.db2.gz UPBUDGXTJUHLPS-JTQLQIEISA-N 2 2 193.294 1.471 20 0 ADADLP Cc1cc([C@H](C)[NH2+]CC[NH3+])oc1C 643495837 352969712 /nfs/dbraw/zinc/96/97/12/352969712.db2.gz QZRZASDHKLRPJI-QMMMGPOBSA-N 2 2 182.267 1.506 20 0 ADADLP CCc1cccnc1[C@H](C)[NH2+]CC[NH3+] 643495783 352969761 /nfs/dbraw/zinc/96/97/61/352969761.db2.gz GLSFTIFMPJKFTA-VIFPVBQESA-N 2 2 193.294 1.253 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccoc1 643497119 352971006 /nfs/dbraw/zinc/97/10/06/352971006.db2.gz XRABAHNMHGIGLF-MWLCHTKSSA-N 2 2 194.278 1.682 20 0 ADADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccoc1 643497118 352971030 /nfs/dbraw/zinc/97/10/30/352971030.db2.gz XRABAHNMHGIGLF-KOLCDFICSA-N 2 2 194.278 1.682 20 0 ADADLP C[NH2+]CCC[NH2+][C@@H](C)c1ccco1 643498321 352971034 /nfs/dbraw/zinc/97/10/34/352971034.db2.gz WPOHBDKFGLVRNL-VIFPVBQESA-N 2 2 182.267 1.540 20 0 ADADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccoc1 643497117 352971091 /nfs/dbraw/zinc/97/10/91/352971091.db2.gz XRABAHNMHGIGLF-GXSJLCMTSA-N 2 2 194.278 1.682 20 0 ADADLP C[NH2+]CCC[NH2+][C@H](C)c1ccco1 643498320 352971133 /nfs/dbraw/zinc/97/11/33/352971133.db2.gz WPOHBDKFGLVRNL-SECBINFHSA-N 2 2 182.267 1.540 20 0 ADADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccoc1 643497120 352971219 /nfs/dbraw/zinc/97/12/19/352971219.db2.gz XRABAHNMHGIGLF-ONGXEEELSA-N 2 2 194.278 1.682 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1ccccc1C 643504427 352974649 /nfs/dbraw/zinc/97/46/49/352974649.db2.gz IKPCCDXKBSGTHL-NSHDSACASA-N 2 2 192.306 1.865 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(C)c1 643504406 352974935 /nfs/dbraw/zinc/97/49/35/352974935.db2.gz BAZDABGNUYJOOC-LLVKDONJSA-N 2 2 192.306 1.865 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1ccccc1C 643504426 352974954 /nfs/dbraw/zinc/97/49/54/352974954.db2.gz IKPCCDXKBSGTHL-LLVKDONJSA-N 2 2 192.306 1.865 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C)s1 643504420 352975155 /nfs/dbraw/zinc/97/51/55/352975155.db2.gz HXHALUYUNMOIEC-SECBINFHSA-N 2 2 198.335 1.927 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1sccc1C 643504410 352975206 /nfs/dbraw/zinc/97/52/06/352975206.db2.gz CEARALICUJBKOX-SECBINFHSA-N 2 2 198.335 1.927 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1sccc1C 643504411 352975232 /nfs/dbraw/zinc/97/52/32/352975232.db2.gz CEARALICUJBKOX-VIFPVBQESA-N 2 2 198.335 1.927 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(C)c1 643504407 352975236 /nfs/dbraw/zinc/97/52/36/352975236.db2.gz BAZDABGNUYJOOC-NSHDSACASA-N 2 2 192.306 1.865 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C)s1 643504421 352975279 /nfs/dbraw/zinc/97/52/79/352975279.db2.gz HXHALUYUNMOIEC-VIFPVBQESA-N 2 2 198.335 1.927 20 0 ADADLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccncc1 643504507 352975609 /nfs/dbraw/zinc/97/56/09/352975609.db2.gz AOSCDLFQZHGLGS-LLVKDONJSA-N 2 2 193.294 1.342 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(F)cc1 643504470 352975620 /nfs/dbraw/zinc/97/56/20/352975620.db2.gz UFJUCQSMTJDFED-VIFPVBQESA-N 2 2 196.269 1.696 20 0 ADADLP C[NH2+]CC[NH2+][C@H]1CCc2ccccc21 643504462 352975680 /nfs/dbraw/zinc/97/56/80/352975680.db2.gz TXIIFECQGDOMMY-LBPRGKRZSA-N 2 2 190.290 1.483 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1csc(C)c1 643504567 352975746 /nfs/dbraw/zinc/97/57/46/352975746.db2.gz IZOCGHHNSAZQQD-VIFPVBQESA-N 2 2 198.335 1.927 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C)cc1 643504497 352975764 /nfs/dbraw/zinc/97/57/64/352975764.db2.gz YMHICRQBMFRINQ-LLVKDONJSA-N 2 2 192.306 1.865 20 0 ADADLP CC[C@H]([NH2+]CC[NH2+]C)c1ccncc1 643504508 352975799 /nfs/dbraw/zinc/97/57/99/352975799.db2.gz AOSCDLFQZHGLGS-NSHDSACASA-N 2 2 193.294 1.342 20 0 ADADLP C[NH2+]CC[NH2+][C@H]1CCCc2occc21 643504564 352976002 /nfs/dbraw/zinc/97/60/02/352976002.db2.gz IHGHGBQMLDTDJD-JTQLQIEISA-N 2 2 194.278 1.466 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(F)cc1 643504469 352976041 /nfs/dbraw/zinc/97/60/41/352976041.db2.gz UFJUCQSMTJDFED-SECBINFHSA-N 2 2 196.269 1.696 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1ccsc1 643504463 352976094 /nfs/dbraw/zinc/97/60/94/352976094.db2.gz TZSWBPXOXOOLEL-MRVPVSSYSA-N 2 2 184.308 1.618 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(F)c1 643504452 352976118 /nfs/dbraw/zinc/97/61/18/352976118.db2.gz QCMSOUJQBJVNLO-VIFPVBQESA-N 2 2 196.269 1.696 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1cncc(C)c1 643504547 352976144 /nfs/dbraw/zinc/97/61/44/352976144.db2.gz FUYIYGPWOXLUFJ-SNVBAGLBSA-N 2 2 193.294 1.260 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C)cc1 643504498 352976153 /nfs/dbraw/zinc/97/61/53/352976153.db2.gz YMHICRQBMFRINQ-NSHDSACASA-N 2 2 192.306 1.865 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1csc(C)c1 643504566 352976161 /nfs/dbraw/zinc/97/61/61/352976161.db2.gz IZOCGHHNSAZQQD-SECBINFHSA-N 2 2 198.335 1.927 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1ccsc1 643504464 352976230 /nfs/dbraw/zinc/97/62/30/352976230.db2.gz TZSWBPXOXOOLEL-QMMMGPOBSA-N 2 2 184.308 1.618 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1cncc(C)c1 643504546 352976241 /nfs/dbraw/zinc/97/62/41/352976241.db2.gz FUYIYGPWOXLUFJ-JTQLQIEISA-N 2 2 193.294 1.260 20 0 ADADLP C[NH2+]CC[NH2+][C@@H]1CCc2ccccc21 643504461 352976251 /nfs/dbraw/zinc/97/62/51/352976251.db2.gz TXIIFECQGDOMMY-GFCCVEGCSA-N 2 2 190.290 1.483 20 0 ADADLP C[NH2+]CC[NH2+][C@@H]1CCCc2occc21 643504565 352976263 /nfs/dbraw/zinc/97/62/63/352976263.db2.gz IHGHGBQMLDTDJD-SNVBAGLBSA-N 2 2 194.278 1.466 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1cnccc1C 643504737 352976811 /nfs/dbraw/zinc/97/68/11/352976811.db2.gz HULFEFHJLMJEOE-SNVBAGLBSA-N 2 2 193.294 1.260 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1cnccc1C 643504736 352977211 /nfs/dbraw/zinc/97/72/11/352977211.db2.gz HULFEFHJLMJEOE-JTQLQIEISA-N 2 2 193.294 1.260 20 0 ADADLP CC[NH2+]CC[NH2+][C@@H](C)c1cccnc1 643505263 352977654 /nfs/dbraw/zinc/97/76/54/352977654.db2.gz XEJOHBKVPMJSSI-JTQLQIEISA-N 2 2 193.294 1.342 20 0 ADADLP CC[NH2+]CC[NH2+][C@H](C)c1cccnc1 643505264 352977663 /nfs/dbraw/zinc/97/76/63/352977663.db2.gz XEJOHBKVPMJSSI-SNVBAGLBSA-N 2 2 193.294 1.342 20 0 ADADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccncc1 643505202 352977676 /nfs/dbraw/zinc/97/76/76/352977676.db2.gz CSBKGABGEOFPAP-JTQLQIEISA-N 2 2 193.294 1.342 20 0 ADADLP CC[NH2+]CC[NH2+][C@H](C)c1ccncc1 643505203 352977728 /nfs/dbraw/zinc/97/77/28/352977728.db2.gz CSBKGABGEOFPAP-SNVBAGLBSA-N 2 2 193.294 1.342 20 0 ADADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccoc1 643505636 352978787 /nfs/dbraw/zinc/97/87/87/352978787.db2.gz MIAFRYIGDAOBRP-GXSJLCMTSA-N 2 2 194.278 1.682 20 0 ADADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccoc1 643505637 352978845 /nfs/dbraw/zinc/97/88/45/352978845.db2.gz MIAFRYIGDAOBRP-KOLCDFICSA-N 2 2 194.278 1.682 20 0 ADADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccoc1 643505638 352979025 /nfs/dbraw/zinc/97/90/25/352979025.db2.gz MIAFRYIGDAOBRP-MWLCHTKSSA-N 2 2 194.278 1.682 20 0 ADADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccoc1 643505639 352979098 /nfs/dbraw/zinc/97/90/98/352979098.db2.gz MIAFRYIGDAOBRP-ONGXEEELSA-N 2 2 194.278 1.682 20 0 ADADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccco1 643511649 352982381 /nfs/dbraw/zinc/98/23/81/352982381.db2.gz ULCCTNOGZICGMR-NXEZZACHSA-N 2 2 196.294 1.914 20 0 ADADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccoc1 643511646 352982386 /nfs/dbraw/zinc/98/23/86/352982386.db2.gz UKFBKANGQUKETL-KOLCDFICSA-N 2 2 196.294 1.914 20 0 ADADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccoc1 643511645 352982632 /nfs/dbraw/zinc/98/26/32/352982632.db2.gz UKFBKANGQUKETL-GXSJLCMTSA-N 2 2 196.294 1.914 20 0 ADADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccoc1 643511648 352982640 /nfs/dbraw/zinc/98/26/40/352982640.db2.gz UKFBKANGQUKETL-ONGXEEELSA-N 2 2 196.294 1.914 20 0 ADADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccco1 643511652 352982778 /nfs/dbraw/zinc/98/27/78/352982778.db2.gz ULCCTNOGZICGMR-ZJUUUORDSA-N 2 2 196.294 1.914 20 0 ADADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccco1 643511650 352982792 /nfs/dbraw/zinc/98/27/92/352982792.db2.gz ULCCTNOGZICGMR-UWVGGRQHSA-N 2 2 196.294 1.914 20 0 ADADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccoc1 643511647 352983028 /nfs/dbraw/zinc/98/30/28/352983028.db2.gz UKFBKANGQUKETL-MWLCHTKSSA-N 2 2 196.294 1.914 20 0 ADADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccco1 643512394 352983329 /nfs/dbraw/zinc/98/33/29/352983329.db2.gz UCIRVWQBWHMRES-WPRPVWTQSA-N 2 2 194.278 1.668 20 0 ADADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccoc1 643512608 352983344 /nfs/dbraw/zinc/98/33/44/352983344.db2.gz JTSSMLIJNHRHCV-GZMMTYOYSA-N 2 2 194.278 1.668 20 0 ADADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccco1 643512392 352983454 /nfs/dbraw/zinc/98/34/54/352983454.db2.gz UCIRVWQBWHMRES-SCZZXKLOSA-N 2 2 194.278 1.668 20 0 ADADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccco1 643512390 352983576 /nfs/dbraw/zinc/98/35/76/352983576.db2.gz UCIRVWQBWHMRES-PSASIEDQSA-N 2 2 194.278 1.668 20 0 ADADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccoc1 643512609 352983594 /nfs/dbraw/zinc/98/35/94/352983594.db2.gz JTSSMLIJNHRHCV-KCJUWKMLSA-N 2 2 194.278 1.668 20 0 ADADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccco1 643512393 352983656 /nfs/dbraw/zinc/98/36/56/352983656.db2.gz UCIRVWQBWHMRES-WCBMZHEXSA-N 2 2 194.278 1.668 20 0 ADADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cn[nH]c1 643511862 352983665 /nfs/dbraw/zinc/98/36/65/352983665.db2.gz DTMVNCCUOWPNGO-WPRPVWTQSA-N 2 2 196.298 1.044 20 0 ADADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cn[nH]c1 643511859 352983701 /nfs/dbraw/zinc/98/37/01/352983701.db2.gz DTMVNCCUOWPNGO-PSASIEDQSA-N 2 2 196.298 1.044 20 0 ADADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cn[nH]c1 643511861 352983849 /nfs/dbraw/zinc/98/38/49/352983849.db2.gz DTMVNCCUOWPNGO-WCBMZHEXSA-N 2 2 196.298 1.044 20 0 ADADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cn[nH]c1 643511860 352983861 /nfs/dbraw/zinc/98/38/61/352983861.db2.gz DTMVNCCUOWPNGO-SCZZXKLOSA-N 2 2 196.298 1.044 20 0 ADADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccoc1 643512610 352983883 /nfs/dbraw/zinc/98/38/83/352983883.db2.gz JTSSMLIJNHRHCV-KWQFWETISA-N 2 2 194.278 1.668 20 0 ADADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccoc1 643512611 352983928 /nfs/dbraw/zinc/98/39/28/352983928.db2.gz JTSSMLIJNHRHCV-LDYMZIIASA-N 2 2 194.278 1.668 20 0 ADADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccoc1 643513134 352984597 /nfs/dbraw/zinc/98/45/97/352984597.db2.gz LIRKKXUKZYMVAY-MRVPVSSYSA-N 2 2 182.267 1.668 20 0 ADADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccoc1 643513135 352984727 /nfs/dbraw/zinc/98/47/27/352984727.db2.gz LIRKKXUKZYMVAY-QMMMGPOBSA-N 2 2 182.267 1.668 20 0 ADADLP CCC[NH2+]CC[NH2+][C@H](C)c1cn[nH]c1 643515172 352986203 /nfs/dbraw/zinc/98/62/03/352986203.db2.gz VHNXLSLHZOVHDX-SECBINFHSA-N 2 2 196.298 1.060 20 0 ADADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cn[nH]c1 643515173 352986349 /nfs/dbraw/zinc/98/63/49/352986349.db2.gz VHNXLSLHZOVHDX-VIFPVBQESA-N 2 2 196.298 1.060 20 0 ADADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccco1 643516493 352988298 /nfs/dbraw/zinc/98/82/98/352988298.db2.gz HZVMIOXHUWZLRP-SCZZXKLOSA-N 2 2 194.278 1.668 20 0 ADADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccoc1 643516340 352988319 /nfs/dbraw/zinc/98/83/19/352988319.db2.gz FNMHWPORHNYSGK-KCJUWKMLSA-N 2 2 194.278 1.668 20 0 ADADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccco1 643516491 352988431 /nfs/dbraw/zinc/98/84/31/352988431.db2.gz HZVMIOXHUWZLRP-PSASIEDQSA-N 2 2 194.278 1.668 20 0 ADADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccoc1 643516342 352988448 /nfs/dbraw/zinc/98/84/48/352988448.db2.gz FNMHWPORHNYSGK-LDYMZIIASA-N 2 2 194.278 1.668 20 0 ADADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccco1 643516494 352988578 /nfs/dbraw/zinc/98/85/78/352988578.db2.gz HZVMIOXHUWZLRP-WCBMZHEXSA-N 2 2 194.278 1.668 20 0 ADADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccco1 643516495 352988630 /nfs/dbraw/zinc/98/86/30/352988630.db2.gz HZVMIOXHUWZLRP-WPRPVWTQSA-N 2 2 194.278 1.668 20 0 ADADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccoc1 643516339 352988636 /nfs/dbraw/zinc/98/86/36/352988636.db2.gz FNMHWPORHNYSGK-GZMMTYOYSA-N 2 2 194.278 1.668 20 0 ADADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccoc1 643516341 352988692 /nfs/dbraw/zinc/98/86/92/352988692.db2.gz FNMHWPORHNYSGK-KWQFWETISA-N 2 2 194.278 1.668 20 0 ADADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccoc1 643517919 352989142 /nfs/dbraw/zinc/98/91/42/352989142.db2.gz ZMSUDWJMCPTHTI-VIFPVBQESA-N 2 2 194.278 1.812 20 0 ADADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccco1 643517676 352989390 /nfs/dbraw/zinc/98/93/90/352989390.db2.gz QYXMFCBDAAORMS-VIFPVBQESA-N 2 2 194.278 1.812 20 0 ADADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccco1 643517673 352989493 /nfs/dbraw/zinc/98/94/93/352989493.db2.gz QYXMFCBDAAORMS-SECBINFHSA-N 2 2 194.278 1.812 20 0 ADADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccoc1 643517918 352989518 /nfs/dbraw/zinc/98/95/18/352989518.db2.gz ZMSUDWJMCPTHTI-SECBINFHSA-N 2 2 194.278 1.812 20 0 ADADLP C[C@H]([NH2+][C@H](C)C[NH3+])c1ccoc1 643519190 352989783 /nfs/dbraw/zinc/98/97/83/352989783.db2.gz DTSVHLHXFZJWAK-SFYZADRCSA-N 2 2 168.240 1.277 20 0 ADADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccoc1 643519189 352989882 /nfs/dbraw/zinc/98/98/82/352989882.db2.gz DTSVHLHXFZJWAK-HTQZYQBOSA-N 2 2 168.240 1.277 20 0 ADADLP CCc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])o1 643519480 352990117 /nfs/dbraw/zinc/99/01/17/352990117.db2.gz VHMUBRXXTUUPGG-RKDXNWHRSA-N 2 2 196.294 1.840 20 0 ADADLP Cc1cc([C@H](C)[NH2+][C@H](C)C[NH3+])oc1C 643519779 352990549 /nfs/dbraw/zinc/99/05/49/352990549.db2.gz ZZIPNRVMTAWGDJ-BDAKNGLRSA-N 2 2 196.294 1.894 20 0 ADADLP Cc1cncc([C@@H](C)[NH2+][C@H](C)C[NH3+])c1 643519787 352991024 /nfs/dbraw/zinc/99/10/24/352991024.db2.gz BXWFUDNGBRITLH-NXEZZACHSA-N 2 2 193.294 1.388 20 0 ADADLP Cc1ccncc1[C@H](C)[NH2+][C@H](C)C[NH3+] 643519807 352991063 /nfs/dbraw/zinc/99/10/63/352991063.db2.gz DTQRSMFXQUYZQH-ZJUUUORDSA-N 2 2 193.294 1.388 20 0 ADADLP Cc1cncc([C@H](C)[NH2+][C@H](C)C[NH3+])c1 643519788 352991226 /nfs/dbraw/zinc/99/12/26/352991226.db2.gz BXWFUDNGBRITLH-ZJUUUORDSA-N 2 2 193.294 1.388 20 0 ADADLP Cc1cc([C@@H](C)[NH2+][C@H](C)C[NH3+])oc1C 643519780 352991286 /nfs/dbraw/zinc/99/12/86/352991286.db2.gz ZZIPNRVMTAWGDJ-RKDXNWHRSA-N 2 2 196.294 1.894 20 0 ADADLP Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C[NH3+] 643519806 352991312 /nfs/dbraw/zinc/99/13/12/352991312.db2.gz DTQRSMFXQUYZQH-NXEZZACHSA-N 2 2 193.294 1.388 20 0 ADADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1F 643525744 352992385 /nfs/dbraw/zinc/99/23/85/352992385.db2.gz DBOSZVQXIQDLGI-RKDXNWHRSA-N 2 2 196.269 1.824 20 0 ADADLP C[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1F 643525741 352992392 /nfs/dbraw/zinc/99/23/92/352992392.db2.gz DBOSZVQXIQDLGI-BDAKNGLRSA-N 2 2 196.269 1.824 20 0 ADADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])o1 643525982 352992694 /nfs/dbraw/zinc/99/26/94/352992694.db2.gz LKIYSFSHKNTOSS-APPZFPTMSA-N 2 2 182.267 1.586 20 0 ADADLP Cc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])o1 643525983 352992788 /nfs/dbraw/zinc/99/27/88/352992788.db2.gz LKIYSFSHKNTOSS-CBAPKCEASA-N 2 2 182.267 1.586 20 0 ADADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])o1 643525985 352992800 /nfs/dbraw/zinc/99/28/00/352992800.db2.gz LKIYSFSHKNTOSS-VXNVDRBHSA-N 2 2 182.267 1.586 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1F 643525743 352992904 /nfs/dbraw/zinc/99/29/04/352992904.db2.gz DBOSZVQXIQDLGI-IUCAKERBSA-N 2 2 196.269 1.824 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1F 643525742 352992997 /nfs/dbraw/zinc/99/29/97/352992997.db2.gz DBOSZVQXIQDLGI-DTWKUNHWSA-N 2 2 196.269 1.824 20 0 ADADLP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])o1 643525984 352993078 /nfs/dbraw/zinc/99/30/78/352993078.db2.gz LKIYSFSHKNTOSS-IONNQARKSA-N 2 2 182.267 1.586 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2occc21 643527173 352993546 /nfs/dbraw/zinc/99/35/46/352993546.db2.gz KGSIGQNVHPWTLT-WPRPVWTQSA-N 2 2 194.278 1.594 20 0 ADADLP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2occc21 643527171 352993549 /nfs/dbraw/zinc/99/35/49/352993549.db2.gz KGSIGQNVHPWTLT-SCZZXKLOSA-N 2 2 194.278 1.594 20 0 ADADLP Cc1cncc([C@H](C)[NH2+]C[C@H](C)[NH3+])c1 643526749 352993593 /nfs/dbraw/zinc/99/35/93/352993593.db2.gz FSMTXBWOPDUUFZ-UWVGGRQHSA-N 2 2 193.294 1.388 20 0 ADADLP Cc1cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])oc1C 643526764 352993631 /nfs/dbraw/zinc/99/36/31/352993631.db2.gz GACRURPIARJLIW-BDAKNGLRSA-N 2 2 196.294 1.894 20 0 ADADLP Cc1cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c(C)o1 643526827 352993680 /nfs/dbraw/zinc/99/36/80/352993680.db2.gz ABWGYWHGXGLTOT-IONNQARKSA-N 2 2 196.294 1.894 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@H](C)c1ccco1 643526241 352993697 /nfs/dbraw/zinc/99/36/97/352993697.db2.gz VVGVRWGINWMGTE-JGVFFNPUSA-N 2 2 168.240 1.277 20 0 ADADLP Cc1cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c(C)o1 643526825 352993763 /nfs/dbraw/zinc/99/37/63/352993763.db2.gz ABWGYWHGXGLTOT-APPZFPTMSA-N 2 2 196.294 1.894 20 0 ADADLP Cc1cncc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1 643526748 352993787 /nfs/dbraw/zinc/99/37/87/352993787.db2.gz FSMTXBWOPDUUFZ-NXEZZACHSA-N 2 2 193.294 1.388 20 0 ADADLP Cc1cncc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1 643526751 352993877 /nfs/dbraw/zinc/99/38/77/352993877.db2.gz FSMTXBWOPDUUFZ-ZJUUUORDSA-N 2 2 193.294 1.388 20 0 ADADLP C[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccco1 643526242 352993884 /nfs/dbraw/zinc/99/38/84/352993884.db2.gz VVGVRWGINWMGTE-SFYZADRCSA-N 2 2 168.240 1.277 20 0 ADADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccco1 643526240 352993909 /nfs/dbraw/zinc/99/39/09/352993909.db2.gz VVGVRWGINWMGTE-HTQZYQBOSA-N 2 2 168.240 1.277 20 0 ADADLP Cc1cc([C@H](C)[NH2+]C[C@H](C)[NH3+])c(C)o1 643526826 352993924 /nfs/dbraw/zinc/99/39/24/352993924.db2.gz ABWGYWHGXGLTOT-CBAPKCEASA-N 2 2 196.294 1.894 20 0 ADADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c(C)o1 643526828 352993943 /nfs/dbraw/zinc/99/39/43/352993943.db2.gz ABWGYWHGXGLTOT-VXNVDRBHSA-N 2 2 196.294 1.894 20 0 ADADLP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2occc21 643527170 352993988 /nfs/dbraw/zinc/99/39/88/352993988.db2.gz KGSIGQNVHPWTLT-PSASIEDQSA-N 2 2 194.278 1.594 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccco1 643526243 352994114 /nfs/dbraw/zinc/99/41/14/352994114.db2.gz VVGVRWGINWMGTE-YUMQZZPRSA-N 2 2 168.240 1.277 20 0 ADADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])oc1C 643526767 352994126 /nfs/dbraw/zinc/99/41/26/352994126.db2.gz GACRURPIARJLIW-RKDXNWHRSA-N 2 2 196.294 1.894 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2occc21 643527172 352994151 /nfs/dbraw/zinc/99/41/51/352994151.db2.gz KGSIGQNVHPWTLT-WCBMZHEXSA-N 2 2 194.278 1.594 20 0 ADADLP Cc1cc([C@H](C)[NH2+]C[C@H](C)[NH3+])oc1C 643526766 352994168 /nfs/dbraw/zinc/99/41/68/352994168.db2.gz GACRURPIARJLIW-IUCAKERBSA-N 2 2 196.294 1.894 20 0 ADADLP Cc1cncc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1 643526750 352994214 /nfs/dbraw/zinc/99/42/14/352994214.db2.gz FSMTXBWOPDUUFZ-VHSXEESVSA-N 2 2 193.294 1.388 20 0 ADADLP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])o1 643529162 352995689 /nfs/dbraw/zinc/99/56/89/352995689.db2.gz WGFJUXMPPHTLDG-DTWKUNHWSA-N 2 2 196.294 1.840 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(O)c1 643529130 352995389 /nfs/dbraw/zinc/99/53/89/352995389.db2.gz VQWFKWPBQWXZBA-DTWKUNHWSA-N 2 2 194.278 1.390 20 0 ADADLP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])o1 643529161 352995423 /nfs/dbraw/zinc/99/54/23/352995423.db2.gz WGFJUXMPPHTLDG-BDAKNGLRSA-N 2 2 196.294 1.840 20 0 ADADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])o1 643529164 352995452 /nfs/dbraw/zinc/99/54/52/352995452.db2.gz WGFJUXMPPHTLDG-RKDXNWHRSA-N 2 2 196.294 1.840 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(O)c1 643529131 352995474 /nfs/dbraw/zinc/99/54/74/352995474.db2.gz VQWFKWPBQWXZBA-IUCAKERBSA-N 2 2 194.278 1.390 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccsc1 643528810 352995479 /nfs/dbraw/zinc/99/54/79/352995479.db2.gz PDQDSVRSXIOXET-YUMQZZPRSA-N 2 2 184.308 1.746 20 0 ADADLP CCc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])o1 643529163 352995504 /nfs/dbraw/zinc/99/55/04/352995504.db2.gz WGFJUXMPPHTLDG-IUCAKERBSA-N 2 2 196.294 1.840 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@H](C)c1ccsc1 643528808 352995549 /nfs/dbraw/zinc/99/55/49/352995549.db2.gz PDQDSVRSXIOXET-JGVFFNPUSA-N 2 2 184.308 1.746 20 0 ADADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] 643528589 352995556 /nfs/dbraw/zinc/99/55/56/352995556.db2.gz LQROOZABFDOMOG-VHSXEESVSA-N 2 2 193.294 1.388 20 0 ADADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] 643528590 352995587 /nfs/dbraw/zinc/99/55/87/352995587.db2.gz LQROOZABFDOMOG-ZJUUUORDSA-N 2 2 193.294 1.388 20 0 ADADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccsc1 643528807 352995592 /nfs/dbraw/zinc/99/55/92/352995592.db2.gz PDQDSVRSXIOXET-HTQZYQBOSA-N 2 2 184.308 1.746 20 0 ADADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(O)c1 643529132 352995787 /nfs/dbraw/zinc/99/57/87/352995787.db2.gz VQWFKWPBQWXZBA-RKDXNWHRSA-N 2 2 194.278 1.390 20 0 ADADLP C[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccsc1 643528809 352995856 /nfs/dbraw/zinc/99/58/56/352995856.db2.gz PDQDSVRSXIOXET-SFYZADRCSA-N 2 2 184.308 1.746 20 0 ADADLP C[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(O)c1 643529129 352995860 /nfs/dbraw/zinc/99/58/60/352995860.db2.gz VQWFKWPBQWXZBA-BDAKNGLRSA-N 2 2 194.278 1.390 20 0 ADADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] 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C[C@@H]1CCCCC[N@@H+]1CC(C)(C)[NH3+] 69945343 375318509 /nfs/dbraw/zinc/31/85/09/375318509.db2.gz VWUWYGBTECZRTI-SNVBAGLBSA-N 2 2 184.327 1.988 20 0 ADADLP C[C@@H]1CCCCC[N@H+]1CC(C)(C)[NH3+] 69945343 375318511 /nfs/dbraw/zinc/31/85/11/375318511.db2.gz VWUWYGBTECZRTI-SNVBAGLBSA-N 2 2 184.327 1.988 20 0 ADADLP FC(F)n1cc[nH+]c1Cn1cc[nH+]c1 70162805 375322216 /nfs/dbraw/zinc/32/22/16/375322216.db2.gz BZQGJRQFWIDPQU-UHFFFAOYSA-N 2 2 198.176 1.523 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C)CC1 82495133 375364395 /nfs/dbraw/zinc/36/43/95/375364395.db2.gz RHWJOQBYOZRXMY-NXEZZACHSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C)CC1 82495133 375364399 /nfs/dbraw/zinc/36/43/99/375364399.db2.gz RHWJOQBYOZRXMY-NXEZZACHSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])CC1 82491033 375364697 /nfs/dbraw/zinc/36/46/97/375364697.db2.gz QVVHPLQLZWGMFD-SNVBAGLBSA-N 2 2 184.327 1.846 20 0 ADADLP C[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1 82491033 375364704 /nfs/dbraw/zinc/36/47/04/375364704.db2.gz QVVHPLQLZWGMFD-SNVBAGLBSA-N 2 2 184.327 1.846 20 0 ADADLP C[C@H]1CCC[N@H+](CC(C)(C)[NH3+])CC1 82491035 375364996 /nfs/dbraw/zinc/36/49/96/375364996.db2.gz QVVHPLQLZWGMFD-JTQLQIEISA-N 2 2 184.327 1.846 20 0 ADADLP C[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1 82491035 375365004 /nfs/dbraw/zinc/36/50/04/375365004.db2.gz QVVHPLQLZWGMFD-JTQLQIEISA-N 2 2 184.327 1.846 20 0 ADADLP C[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])CC1 82495136 375365292 /nfs/dbraw/zinc/36/52/92/375365292.db2.gz RHWJOQBYOZRXMY-VHSXEESVSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])CC1 82495136 375365295 /nfs/dbraw/zinc/36/52/95/375365295.db2.gz RHWJOQBYOZRXMY-VHSXEESVSA-N 2 2 170.300 1.456 20 0 ADADLP CCc1[nH+]ccn1Cc1[nH+]ccn1C 82615386 375365980 /nfs/dbraw/zinc/36/59/80/375365980.db2.gz VZIPRBILYBJTRC-UHFFFAOYSA-N 2 2 190.250 1.227 20 0 ADADLP Cc1[nH+]ccn1CC[NH+]1CCCC1 82615316 375366625 /nfs/dbraw/zinc/36/66/25/375366625.db2.gz UGDYPPJWNZFLLG-UHFFFAOYSA-N 2 2 179.267 1.287 20 0 ADADLP C[C@H]([NH3+])C[N@@H+]1CCCC(C)(C)CC1 83680381 375378258 /nfs/dbraw/zinc/37/82/58/375378258.db2.gz AUJXJZPHDBQVGY-JTQLQIEISA-N 2 2 184.327 1.846 20 0 ADADLP C[C@H]([NH3+])C[N@H+]1CCCC(C)(C)CC1 83680381 375378260 /nfs/dbraw/zinc/37/82/60/375378260.db2.gz AUJXJZPHDBQVGY-JTQLQIEISA-N 2 2 184.327 1.846 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+]1CCCC(C)(C)CC1 83680383 375378747 /nfs/dbraw/zinc/37/87/47/375378747.db2.gz AUJXJZPHDBQVGY-SNVBAGLBSA-N 2 2 184.327 1.846 20 0 ADADLP C[C@@H]([NH3+])C[N@H+]1CCCC(C)(C)CC1 83680383 375378753 /nfs/dbraw/zinc/37/87/53/375378753.db2.gz AUJXJZPHDBQVGY-SNVBAGLBSA-N 2 2 184.327 1.846 20 0 ADADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 83824199 375381253 /nfs/dbraw/zinc/38/12/53/375381253.db2.gz FCPUSMFBQFGAJL-ZYHUDNBSSA-N 2 2 190.290 1.699 20 0 ADADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 83824200 375381351 /nfs/dbraw/zinc/38/13/51/375381351.db2.gz FCPUSMFBQFGAJL-PWSUYJOCSA-N 2 2 190.290 1.699 20 0 ADADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CCC1 83837773 375382185 /nfs/dbraw/zinc/38/21/85/375382185.db2.gz PTRFYQSOVUAKJA-CMPLNLGQSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CCC1 83837773 375382188 /nfs/dbraw/zinc/38/21/88/375382188.db2.gz PTRFYQSOVUAKJA-CMPLNLGQSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CCC1 83837769 375382755 /nfs/dbraw/zinc/38/27/55/375382755.db2.gz PTRFYQSOVUAKJA-JQWIXIFHSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CCC1 83837769 375382758 /nfs/dbraw/zinc/38/27/58/375382758.db2.gz PTRFYQSOVUAKJA-JQWIXIFHSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CCC1 83837775 375383264 /nfs/dbraw/zinc/38/32/64/375383264.db2.gz PTRFYQSOVUAKJA-ZYHUDNBSSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CCC1 83837775 375383272 /nfs/dbraw/zinc/38/32/72/375383272.db2.gz PTRFYQSOVUAKJA-ZYHUDNBSSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CCC1 83837771 375383520 /nfs/dbraw/zinc/38/35/20/375383520.db2.gz PTRFYQSOVUAKJA-PWSUYJOCSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CCC1 83837771 375383528 /nfs/dbraw/zinc/38/35/28/375383528.db2.gz PTRFYQSOVUAKJA-PWSUYJOCSA-N 2 2 196.338 1.988 20 0 ADADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H]1C 336486033 375493745 /nfs/dbraw/zinc/49/37/45/375493745.db2.gz ARECKHZFDDZXDM-PHIMTYICSA-N 2 2 193.294 1.471 20 0 ADADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H]1C 336486033 375493749 /nfs/dbraw/zinc/49/37/49/375493749.db2.gz ARECKHZFDDZXDM-PHIMTYICSA-N 2 2 193.294 1.471 20 0 ADADLP C[C@@H]1C[C@@H](C)[N@H+](CCn2cc[nH+]c2)C1 336486089 375494015 /nfs/dbraw/zinc/49/40/15/375494015.db2.gz LKLFCZJEBSGAGQ-GHMZBOCLSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@@H]1C[C@@H](C)[N@@H+](CCn2cc[nH+]c2)C1 336486089 375494023 /nfs/dbraw/zinc/49/40/23/375494023.db2.gz LKLFCZJEBSGAGQ-GHMZBOCLSA-N 2 2 193.294 1.613 20 0 ADADLP C[C@@H]1C[NH+](CCn2cc[nH+]c2)C[C@H]1C 336486031 375494191 /nfs/dbraw/zinc/49/41/91/375494191.db2.gz ARECKHZFDDZXDM-GHMZBOCLSA-N 2 2 193.294 1.471 20 0 ADADLP C[C@H]([NH2+]Cc1ccoc1)[C@H]1CCC[NH2+]1 400530862 375509182 /nfs/dbraw/zinc/50/91/82/375509182.db2.gz RQOFVMUPEYZLJL-GXSJLCMTSA-N 2 2 194.278 1.510 20 0 ADADLP C[C@H]([NH2+]Cc1ccoc1)[C@@H]1CCC[NH2+]1 400530866 375509328 /nfs/dbraw/zinc/50/93/28/375509328.db2.gz RQOFVMUPEYZLJL-ONGXEEELSA-N 2 2 194.278 1.510 20 0 ADADLP C[C@@H]([NH2+]Cc1ccoc1)[C@H]1CCC[NH2+]1 400530864 375509455 /nfs/dbraw/zinc/50/94/55/375509455.db2.gz RQOFVMUPEYZLJL-MWLCHTKSSA-N 2 2 194.278 1.510 20 0 ADADLP C[C@@H]([NH2+]Cc1ccoc1)[C@@H]1CCC[NH2+]1 400530863 375509548 /nfs/dbraw/zinc/50/95/48/375509548.db2.gz RQOFVMUPEYZLJL-KOLCDFICSA-N 2 2 194.278 1.510 20 0 ADADLP C[N@H+](Cc1ccns1)C1CC([NH3+])C1 404433327 375532656 /nfs/dbraw/zinc/53/26/56/375532656.db2.gz CMYHNEIGHRABKF-UHFFFAOYSA-N 2 2 197.307 1.065 20 0 ADADLP C[N@@H+](Cc1ccns1)C1CC([NH3+])C1 404433327 375532658 /nfs/dbraw/zinc/53/26/58/375532658.db2.gz CMYHNEIGHRABKF-UHFFFAOYSA-N 2 2 197.307 1.065 20 0 ADADLP [NH3+]C1(C[NH2+]Cc2ccns2)CCC1 404340101 375532754 /nfs/dbraw/zinc/53/27/54/375532754.db2.gz FAIUZUANMHGAOY-UHFFFAOYSA-N 2 2 197.307 1.114 20 0 ADADLP C[NH2+]CCC[N@H+](C)Cc1ccns1 404473526 375533580 /nfs/dbraw/zinc/53/35/80/375533580.db2.gz NVAIAFPLOTZXIR-UHFFFAOYSA-N 2 2 199.323 1.184 20 0 ADADLP C[NH2+]CCC[N@@H+](C)Cc1ccns1 404473526 375533586 /nfs/dbraw/zinc/53/35/86/375533586.db2.gz NVAIAFPLOTZXIR-UHFFFAOYSA-N 2 2 199.323 1.184 20 0 ADADLP Cn1c[nH+]cc1CC[N@H+](C)C(C)(C)C 646088541 375574814 /nfs/dbraw/zinc/57/48/14/375574814.db2.gz CXLDCOIZADYVQC-UHFFFAOYSA-N 2 2 195.310 1.693 20 0 ADADLP Cn1c[nH+]cc1CC[N@@H+](C)C(C)(C)C 646088541 375574818 /nfs/dbraw/zinc/57/48/18/375574818.db2.gz CXLDCOIZADYVQC-UHFFFAOYSA-N 2 2 195.310 1.693 20 0 ADADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nccs1 647552465 375663488 /nfs/dbraw/zinc/66/34/88/375663488.db2.gz AFQTUOJFXVHFHZ-HTQZYQBOSA-N 2 2 199.323 1.359 20 0 ADADLP C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1nccs1 647552467 375663531 /nfs/dbraw/zinc/66/35/31/375663531.db2.gz AFQTUOJFXVHFHZ-SFYZADRCSA-N 2 2 199.323 1.359 20 0 ADADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cscn1 647552636 375663547 /nfs/dbraw/zinc/66/35/47/375663547.db2.gz NKNVZEVHDRHOLK-HTQZYQBOSA-N 2 2 199.323 1.359 20 0 ADADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cscn1 647552639 375663613 /nfs/dbraw/zinc/66/36/13/375663613.db2.gz NKNVZEVHDRHOLK-YUMQZZPRSA-N 2 2 199.323 1.359 20 0 ADADLP C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1cscn1 647552638 375663980 /nfs/dbraw/zinc/66/39/80/375663980.db2.gz NKNVZEVHDRHOLK-SFYZADRCSA-N 2 2 199.323 1.359 20 0 ADADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nccs1 647552468 375664005 /nfs/dbraw/zinc/66/40/05/375664005.db2.gz AFQTUOJFXVHFHZ-YUMQZZPRSA-N 2 2 199.323 1.359 20 0 ADADLP C[C@H]([NH3+])C[C@@H](C)[NH2+]Cc1nccs1 647552466 375664222 /nfs/dbraw/zinc/66/42/22/375664222.db2.gz AFQTUOJFXVHFHZ-JGVFFNPUSA-N 2 2 199.323 1.359 20 0 ADADLP C[C@H]([NH3+])C[C@@H](C)[NH2+]Cc1cscn1 647552637 375664238 /nfs/dbraw/zinc/66/42/38/375664238.db2.gz NKNVZEVHDRHOLK-JGVFFNPUSA-N 2 2 199.323 1.359 20 0 ADADLP Cc1cnc([C@@H](C)[N@H+](C)CCC[NH3+])o1 647847436 375670474 /nfs/dbraw/zinc/67/04/74/375670474.db2.gz QAQZNDDDDOXIDD-SECBINFHSA-N 2 2 197.282 1.325 20 0 ADADLP Cc1cnc([C@@H](C)[N@@H+](C)CCC[NH3+])o1 647847436 375670477 /nfs/dbraw/zinc/67/04/77/375670477.db2.gz QAQZNDDDDOXIDD-SECBINFHSA-N 2 2 197.282 1.325 20 0 ADADLP Cc1cnc([C@H](C)[N@H+](C)CCC[NH3+])o1 647847437 375670522 /nfs/dbraw/zinc/67/05/22/375670522.db2.gz QAQZNDDDDOXIDD-VIFPVBQESA-N 2 2 197.282 1.325 20 0 ADADLP Cc1cnc([C@H](C)[N@@H+](C)CCC[NH3+])o1 647847437 375670526 /nfs/dbraw/zinc/67/05/26/375670526.db2.gz QAQZNDDDDOXIDD-VIFPVBQESA-N 2 2 197.282 1.325 20 0 ADADLP C[N@H+](CCn1cc[nH+]c1)C(C)(C)C 647908362 375675530 /nfs/dbraw/zinc/67/55/30/375675530.db2.gz XOSCVAGNHCRKJC-UHFFFAOYSA-N 2 2 181.283 1.613 20 0 ADADLP C[N@@H+](CCn1cc[nH+]c1)C(C)(C)C 647908362 375675536 /nfs/dbraw/zinc/67/55/36/375675536.db2.gz XOSCVAGNHCRKJC-UHFFFAOYSA-N 2 2 181.283 1.613 20 0 ADADLP CC(C)C[N@@H+]1CCc2[nH+]c[nH]c2C1 647934026 375676516 /nfs/dbraw/zinc/67/65/16/375676516.db2.gz XJLAHYFQPVXLEQ-UHFFFAOYSA-N 2 2 179.267 1.424 20 0 ADADLP CC(C)C[N@H+]1CCc2[nH+]c[nH]c2C1 647934026 375676519 /nfs/dbraw/zinc/67/65/19/375676519.db2.gz XJLAHYFQPVXLEQ-UHFFFAOYSA-N 2 2 179.267 1.424 20 0 ADADLP CCCCC[N@@H+]1CCc2[nH+]c[nH]c2C1 647933967 375676652 /nfs/dbraw/zinc/67/66/52/375676652.db2.gz ROLODWKSMCCDIO-UHFFFAOYSA-N 2 2 193.294 1.958 20 0 ADADLP CCCCC[N@H+]1CCc2[nH+]c[nH]c2C1 647933967 375676658 /nfs/dbraw/zinc/67/66/58/375676658.db2.gz ROLODWKSMCCDIO-UHFFFAOYSA-N 2 2 193.294 1.958 20 0 ADADLP CCC[N@@H+]1CCc2[nH+]c[nH]c2C1 647933000 375676748 /nfs/dbraw/zinc/67/67/48/375676748.db2.gz YANYVRGQIJBALA-UHFFFAOYSA-N 2 2 165.240 1.178 20 0 ADADLP CCC[N@H+]1CCc2[nH+]c[nH]c2C1 647933000 375676755 /nfs/dbraw/zinc/67/67/55/375676755.db2.gz YANYVRGQIJBALA-UHFFFAOYSA-N 2 2 165.240 1.178 20 0 ADADLP CC[C@@H](C)C[N@@H+]1CCc2[nH+]c[nH]c2C1 647933311 375676829 /nfs/dbraw/zinc/67/68/29/375676829.db2.gz JVRXIHYEMZOXRX-SECBINFHSA-N 2 2 193.294 1.814 20 0 ADADLP CC[C@@H](C)C[N@H+]1CCc2[nH+]c[nH]c2C1 647933311 375676834 /nfs/dbraw/zinc/67/68/34/375676834.db2.gz JVRXIHYEMZOXRX-SECBINFHSA-N 2 2 193.294 1.814 20 0 ADADLP CC[C@@H]([NH2+]CC[NH3+])c1c(C)noc1C 647992077 375683653 /nfs/dbraw/zinc/68/36/53/375683653.db2.gz BMQGAMWKWRLDPW-SECBINFHSA-N 2 2 197.282 1.291 20 0 ADADLP CC(C)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 647933676 375677119 /nfs/dbraw/zinc/67/71/19/375677119.db2.gz XPLGHWOZPFSTJN-UHFFFAOYSA-N 2 2 193.294 1.814 20 0 ADADLP CC(C)CC[N@H+]1CCc2[nH+]c[nH]c2C1 647933676 375677121 /nfs/dbraw/zinc/67/71/21/375677121.db2.gz XPLGHWOZPFSTJN-UHFFFAOYSA-N 2 2 193.294 1.814 20 0 ADADLP CC[C@H](C)C[N@@H+]1CCc2[nH+]c[nH]c2C1 647933312 375677193 /nfs/dbraw/zinc/67/71/93/375677193.db2.gz JVRXIHYEMZOXRX-VIFPVBQESA-N 2 2 193.294 1.814 20 0 ADADLP CC[C@H](C)C[N@H+]1CCc2[nH+]c[nH]c2C1 647933312 375677199 /nfs/dbraw/zinc/67/71/99/375677199.db2.gz JVRXIHYEMZOXRX-VIFPVBQESA-N 2 2 193.294 1.814 20 0 ADADLP c1[nH]c2c([nH+]1)CC[N@@H+](CC1CC1)C2 647933356 375677265 /nfs/dbraw/zinc/67/72/65/375677265.db2.gz LMOGPBDLDINJRM-UHFFFAOYSA-N 2 2 177.251 1.178 20 0 ADADLP c1[nH]c2c([nH+]1)CC[N@H+](CC1CC1)C2 647933356 375677270 /nfs/dbraw/zinc/67/72/70/375677270.db2.gz LMOGPBDLDINJRM-UHFFFAOYSA-N 2 2 177.251 1.178 20 0 ADADLP CCCC[N@@H+]1CCn2c[nH+]cc2C1 647939428 375677747 /nfs/dbraw/zinc/67/77/47/375677747.db2.gz NSZBUKLLSOJIGM-UHFFFAOYSA-N 2 2 179.267 1.499 20 0 ADADLP CCCC[N@H+]1CCn2c[nH+]cc2C1 647939428 375677753 /nfs/dbraw/zinc/67/77/53/375677753.db2.gz NSZBUKLLSOJIGM-UHFFFAOYSA-N 2 2 179.267 1.499 20 0 ADADLP CCCCC[N@@H+]1CCn2c[nH+]cc2C1 647940746 375678248 /nfs/dbraw/zinc/67/82/48/375678248.db2.gz WOWAPIBZWALQNR-UHFFFAOYSA-N 2 2 193.294 1.889 20 0 ADADLP CCCCC[N@H+]1CCn2c[nH+]cc2C1 647940746 375678252 /nfs/dbraw/zinc/67/82/52/375678252.db2.gz WOWAPIBZWALQNR-UHFFFAOYSA-N 2 2 193.294 1.889 20 0 ADADLP CC(C)[N@@H+](CC1CCC1)C[C@@H](C)[NH3+] 647991566 375683422 /nfs/dbraw/zinc/68/34/22/375683422.db2.gz MERDMEGAOSINDR-SNVBAGLBSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[N@H+](CC1CCC1)C[C@@H](C)[NH3+] 647991566 375683426 /nfs/dbraw/zinc/68/34/26/375683426.db2.gz MERDMEGAOSINDR-SNVBAGLBSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[N@@H+](CC1CCC1)C[C@H](C)[NH3+] 647991565 375683465 /nfs/dbraw/zinc/68/34/65/375683465.db2.gz MERDMEGAOSINDR-JTQLQIEISA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[N@H+](CC1CCC1)C[C@H](C)[NH3+] 647991565 375683469 /nfs/dbraw/zinc/68/34/69/375683469.db2.gz MERDMEGAOSINDR-JTQLQIEISA-N 2 2 184.327 1.844 20 0 ADADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccn1 647992274 375683720 /nfs/dbraw/zinc/68/37/20/375683720.db2.gz ZEIPOUNSWCIYKU-RKDXNWHRSA-N 2 2 179.267 1.079 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccn1 647992273 375683760 /nfs/dbraw/zinc/68/37/60/375683760.db2.gz ZEIPOUNSWCIYKU-IUCAKERBSA-N 2 2 179.267 1.079 20 0 ADADLP C[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccccn1 647992271 375683853 /nfs/dbraw/zinc/68/38/53/375683853.db2.gz ZEIPOUNSWCIYKU-BDAKNGLRSA-N 2 2 179.267 1.079 20 0 ADADLP C[C@H]([NH3+])C[NH2+][C@H](C)c1ccccn1 647992272 375683886 /nfs/dbraw/zinc/68/38/86/375683886.db2.gz ZEIPOUNSWCIYKU-DTWKUNHWSA-N 2 2 179.267 1.079 20 0 ADADLP CC[C@H]([NH2+]CC[NH3+])c1c(C)noc1C 647992078 375684127 /nfs/dbraw/zinc/68/41/27/375684127.db2.gz BMQGAMWKWRLDPW-VIFPVBQESA-N 2 2 197.282 1.291 20 0 ADADLP C[C@H]1CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1 648770784 375744967 /nfs/dbraw/zinc/74/49/67/375744967.db2.gz LAANARQTFHZXMO-GARJFASQSA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@@H](C)[C@H](C)[NH2+]C[C@H](C)[NH+](C)C 648770788 375744989 /nfs/dbraw/zinc/74/49/89/375744989.db2.gz LTDBYSFBBXYIFQ-VWYCJHECSA-N 2 2 186.343 1.961 20 0 ADADLP CC[C@@H](C)[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C 648770787 375745089 /nfs/dbraw/zinc/74/50/89/375745089.db2.gz LTDBYSFBBXYIFQ-OUAUKWLOSA-N 2 2 186.343 1.961 20 0 ADADLP C[C@H]1CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1 648770783 375745220 /nfs/dbraw/zinc/74/52/20/375745220.db2.gz LAANARQTFHZXMO-DCAQKATOSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@H]1C[C@H]1C[NH2+]C[C@H](C)[NH+](C)C 648771025 375745988 /nfs/dbraw/zinc/74/59/88/375745988.db2.gz YVTJLCZRKNVJCV-GUBZILKMSA-N 2 2 170.300 1.182 20 0 ADADLP C[C@H]1C[C@@H]1C[NH2+]C[C@H](C)[NH+](C)C 648771026 375746719 /nfs/dbraw/zinc/74/67/19/375746719.db2.gz YVTJLCZRKNVJCV-LPEHRKFASA-N 2 2 170.300 1.182 20 0 ADADLP CC[C@H]1CC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C 648771001 375746760 /nfs/dbraw/zinc/74/67/60/375746760.db2.gz BOIWBKDKBSUYRX-DCAQKATOSA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@H]1CC[C@H]1[NH2+]C[C@H](C)[NH+](C)C 648771002 375746993 /nfs/dbraw/zinc/74/69/93/375746993.db2.gz BOIWBKDKBSUYRX-GARJFASQSA-N 2 2 184.327 1.715 20 0 ADADLP CC(C)C[NH2+][C@@H](C)Cn1cc[nH+]c1 35275140 409316277 /nfs/dbraw/zinc/31/62/77/409316277.db2.gz HQHOGVXOLCSJGS-JTQLQIEISA-N 2 2 181.283 1.517 20 0 ADADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCCC1 35275508 409316420 /nfs/dbraw/zinc/31/64/20/409316420.db2.gz FYYDHJPIQKIUTH-SNVBAGLBSA-N 2 2 193.294 1.804 20 0 ADADLP CC(C)C[NH2+][C@H](C)Cn1cc[nH+]c1 35275144 409316429 /nfs/dbraw/zinc/31/64/29/409316429.db2.gz HQHOGVXOLCSJGS-SNVBAGLBSA-N 2 2 181.283 1.517 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccs1 35717778 409317170 /nfs/dbraw/zinc/31/71/70/409317170.db2.gz WAFGMMYOHYZTIM-QMMMGPOBSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccs1 35717778 409317175 /nfs/dbraw/zinc/31/71/75/409317175.db2.gz WAFGMMYOHYZTIM-QMMMGPOBSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccs1 35716898 409317245 /nfs/dbraw/zinc/31/72/45/409317245.db2.gz ULPRRLOEHWNATC-QMMMGPOBSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccs1 35716898 409317249 /nfs/dbraw/zinc/31/72/49/409317249.db2.gz ULPRRLOEHWNATC-QMMMGPOBSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccsc1 35718743 409317805 /nfs/dbraw/zinc/31/78/05/409317805.db2.gz AOJRUSGEMBRNTC-MRVPVSSYSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccsc1 35718743 409317809 /nfs/dbraw/zinc/31/78/09/409317809.db2.gz AOJRUSGEMBRNTC-MRVPVSSYSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccsc1 35719395 409317814 /nfs/dbraw/zinc/31/78/14/409317814.db2.gz IHWJUZQDBBPVFO-QMMMGPOBSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccsc1 35719395 409317817 /nfs/dbraw/zinc/31/78/17/409317817.db2.gz IHWJUZQDBBPVFO-QMMMGPOBSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccs1 35716900 409317925 /nfs/dbraw/zinc/31/79/25/409317925.db2.gz ULPRRLOEHWNATC-MRVPVSSYSA-N 2 2 184.308 1.527 20 0 ADADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccs1 35716900 409317927 /nfs/dbraw/zinc/31/79/27/409317927.db2.gz ULPRRLOEHWNATC-MRVPVSSYSA-N 2 2 184.308 1.527 20 0 ADADLP CCCCC[N@@H+]1CC[C@H]([NH2+]C)C1 37240811 409324111 /nfs/dbraw/zinc/32/41/11/409324111.db2.gz RCQBCWCFTCPBNQ-JTQLQIEISA-N 2 2 170.300 1.470 20 0 ADADLP CCCCC[N@H+]1CC[C@H]([NH2+]C)C1 37240811 409324120 /nfs/dbraw/zinc/32/41/20/409324120.db2.gz RCQBCWCFTCPBNQ-JTQLQIEISA-N 2 2 170.300 1.470 20 0 ADADLP CCCCC[N@@H+]1CC[C@@H]([NH2+]C)C1 37240813 409325280 /nfs/dbraw/zinc/32/52/80/409325280.db2.gz RCQBCWCFTCPBNQ-SNVBAGLBSA-N 2 2 170.300 1.470 20 0 ADADLP CCCCC[N@H+]1CC[C@@H]([NH2+]C)C1 37240813 409325284 /nfs/dbraw/zinc/32/52/84/409325284.db2.gz RCQBCWCFTCPBNQ-SNVBAGLBSA-N 2 2 170.300 1.470 20 0 ADADLP CCC(C)(C)[C@H](C)[NH2+]CC[NH+](C)C 651345743 409326411 /nfs/dbraw/zinc/32/64/11/409326411.db2.gz XVWIMEVROXPKMS-JTQLQIEISA-N 2 2 186.343 1.962 20 0 ADADLP CCC(C)(C)[C@@H](C)[NH2+]CC[NH+](C)C 651345744 409326353 /nfs/dbraw/zinc/32/63/53/409326353.db2.gz XVWIMEVROXPKMS-SNVBAGLBSA-N 2 2 186.343 1.962 20 0 ADADLP COc1ccccc1[C@@H](C)[NH2+]CC[NH3+] 37712359 409333487 /nfs/dbraw/zinc/33/34/87/409333487.db2.gz DMOCUSJJLRBULA-SECBINFHSA-N 2 2 194.278 1.305 20 0 ADADLP C[C@H]([NH2+]CC[NH3+])c1cccc(O)c1 37712467 409333385 /nfs/dbraw/zinc/33/33/85/409333385.db2.gz MTZXJUJYJGYVSM-QMMMGPOBSA-N 2 2 180.251 1.002 20 0 ADADLP C[C@H]([NH2+]CC[NH3+])c1ccccc1F 37712391 409333409 /nfs/dbraw/zinc/33/34/09/409333409.db2.gz YFNNBWHUTUUUPQ-QMMMGPOBSA-N 2 2 182.242 1.435 20 0 ADADLP Cc1ccc([C@@H](C)[NH2+]CC[NH3+])o1 37712408 409333607 /nfs/dbraw/zinc/33/36/07/409333607.db2.gz PNOFIQDKQXHMTO-MRVPVSSYSA-N 2 2 168.240 1.197 20 0 ADADLP Cc1cc([C@H](C)[NH2+]CC[NH3+])c(C)o1 37712715 409333798 /nfs/dbraw/zinc/33/37/98/409333798.db2.gz KCEGGPKMNFXXJF-QMMMGPOBSA-N 2 2 182.267 1.506 20 0 ADADLP Cc1cc([C@@H](C)[NH2+]CC[NH3+])c(C)s1 37712686 409333864 /nfs/dbraw/zinc/33/38/64/409333864.db2.gz YJABZXSGYZUEOI-MRVPVSSYSA-N 2 2 198.335 1.974 20 0 ADADLP C[C@H]([NH2+]CC[NH3+])c1ccccc1Cl 37712356 409333873 /nfs/dbraw/zinc/33/38/73/409333873.db2.gz VECUUAHABZHNOH-QMMMGPOBSA-N 2 2 198.697 1.949 20 0 ADADLP Cc1cc([C@H](C)[NH2+]CC[NH3+])c(C)s1 37712687 409334104 /nfs/dbraw/zinc/33/41/04/409334104.db2.gz YJABZXSGYZUEOI-QMMMGPOBSA-N 2 2 198.335 1.974 20 0 ADADLP C[C@H]1C[C@H]1C[NH2+]C(C)(C)C[NH+](C)C 651605305 409334192 /nfs/dbraw/zinc/33/41/92/409334192.db2.gz YLBHXXCAYHAKQO-UWVGGRQHSA-N 2 2 184.327 1.572 20 0 ADADLP COc1ccccc1[C@H](C)[NH2+]CC[NH3+] 37712358 409334304 /nfs/dbraw/zinc/33/43/04/409334304.db2.gz DMOCUSJJLRBULA-VIFPVBQESA-N 2 2 194.278 1.305 20 0 ADADLP COc1cccc([C@H](C)[NH2+]CC[NH3+])c1 37712410 409334324 /nfs/dbraw/zinc/33/43/24/409334324.db2.gz ILSASAGVDXLPKA-VIFPVBQESA-N 2 2 194.278 1.305 20 0 ADADLP C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)C[NH+](C)C 651605304 409334347 /nfs/dbraw/zinc/33/43/47/409334347.db2.gz YLBHXXCAYHAKQO-NXEZZACHSA-N 2 2 184.327 1.572 20 0 ADADLP C[C@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1 37712354 409334360 /nfs/dbraw/zinc/33/43/60/409334360.db2.gz QNTISBBXQKARAK-QMMMGPOBSA-N 2 2 198.697 1.949 20 0 ADADLP C[C@H]([NH2+]CC[NH3+])c1cccc(Cl)c1 37712548 409334445 /nfs/dbraw/zinc/33/44/45/409334445.db2.gz ZZTQUKNCPCYLMB-QMMMGPOBSA-N 2 2 198.697 1.949 20 0 ADADLP C[C@@H]1C[C@H]1C[NH2+]C(C)(C)C[NH+](C)C 651605307 409334527 /nfs/dbraw/zinc/33/45/27/409334527.db2.gz YLBHXXCAYHAKQO-ZJUUUORDSA-N 2 2 184.327 1.572 20 0 ADADLP COc1cccc([C@@H](C)[NH2+]CC[NH3+])c1 37712411 409334695 /nfs/dbraw/zinc/33/46/95/409334695.db2.gz ILSASAGVDXLPKA-SECBINFHSA-N 2 2 194.278 1.305 20 0 ADADLP Cc1ccc([C@H](C)[NH2+]CC[NH3+])o1 37712409 409334830 /nfs/dbraw/zinc/33/48/30/409334830.db2.gz PNOFIQDKQXHMTO-QMMMGPOBSA-N 2 2 168.240 1.197 20 0 ADADLP C[C@H]([NH2+]CC[NH3+])c1cccs1 37712384 409334862 /nfs/dbraw/zinc/33/48/62/409334862.db2.gz NMXCOILTJLZIKZ-ZETCQYMHSA-N 2 2 170.281 1.357 20 0 ADADLP Cc1cc([C@@H](C)[NH2+]CC[NH3+])c(C)o1 37712714 409334927 /nfs/dbraw/zinc/33/49/27/409334927.db2.gz KCEGGPKMNFXXJF-MRVPVSSYSA-N 2 2 182.267 1.506 20 0 ADADLP C[C@H]1C[C@@H]1C[NH2+]C(C)(C)C[NH+](C)C 651605306 409335018 /nfs/dbraw/zinc/33/50/18/409335018.db2.gz YLBHXXCAYHAKQO-VHSXEESVSA-N 2 2 184.327 1.572 20 0 ADADLP CC(C)[C@H](C)[NH2+]C[C@H](C)[NH+](C)C 38088542 409338580 /nfs/dbraw/zinc/33/85/80/409338580.db2.gz CWXWBMBLDHHPNU-UWVGGRQHSA-N 2 2 172.316 1.571 20 0 ADADLP CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)C 38087649 409338788 /nfs/dbraw/zinc/33/87/88/409338788.db2.gz XNUCSWNDFYTNSM-QWRGUYRKSA-N 2 2 186.343 1.961 20 0 ADADLP CCC(CC)C[N@@H+]1CCC[NH2+]CC1 38086884 409338842 /nfs/dbraw/zinc/33/88/42/409338842.db2.gz MDDWGEWTXCJJKE-UHFFFAOYSA-N 2 2 184.327 1.718 20 0 ADADLP CCC(CC)C[N@H+]1CCC[NH2+]CC1 38086884 409338849 /nfs/dbraw/zinc/33/88/49/409338849.db2.gz MDDWGEWTXCJJKE-UHFFFAOYSA-N 2 2 184.327 1.718 20 0 ADADLP CC(C)C[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C 38088814 409338862 /nfs/dbraw/zinc/33/88/62/409338862.db2.gz FOLYUMWQMCFKNP-MNOVXSKESA-N 2 2 186.343 1.961 20 0 ADADLP CC(C)C[NH2+]C[C@H](C)[NH+](C)C 38088709 409338951 /nfs/dbraw/zinc/33/89/51/409338951.db2.gz IWWKVCAMUICLQA-VIFPVBQESA-N 2 2 158.289 1.182 20 0 ADADLP C[C@@H](C[NH2+][C@H](C)C1CC1)[NH+](C)C 38088489 409339223 /nfs/dbraw/zinc/33/92/23/409339223.db2.gz JULXGMZPTXKQKB-DTWKUNHWSA-N 2 2 170.300 1.325 20 0 ADADLP CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)C 38087650 409339529 /nfs/dbraw/zinc/33/95/29/409339529.db2.gz XNUCSWNDFYTNSM-WDEREUQCSA-N 2 2 186.343 1.961 20 0 ADADLP CCC(CC)[NH2+]C[C@H](C)[NH+](C)C 38088873 409339774 /nfs/dbraw/zinc/33/97/74/409339774.db2.gz QVNZYAZJHPUHMS-VIFPVBQESA-N 2 2 172.316 1.715 20 0 ADADLP CC[C@@H](C)C[NH2+]C[C@H](C)[NH+](C)C 38088159 409339802 /nfs/dbraw/zinc/33/98/02/409339802.db2.gz PBEKXOYZQAWYHK-ZJUUUORDSA-N 2 2 172.316 1.572 20 0 ADADLP CC(C)[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C 38088541 409339854 /nfs/dbraw/zinc/33/98/54/409339854.db2.gz CWXWBMBLDHHPNU-VHSXEESVSA-N 2 2 172.316 1.571 20 0 ADADLP CC[C@H](C)C[NH2+]C[C@H](C)[NH+](C)C 38088160 409339974 /nfs/dbraw/zinc/33/99/74/409339974.db2.gz PBEKXOYZQAWYHK-UWVGGRQHSA-N 2 2 172.316 1.572 20 0 ADADLP CC(C)C[C@H](C)[NH2+]C[C@H](C)[NH+](C)C 38088815 409340169 /nfs/dbraw/zinc/34/01/69/409340169.db2.gz FOLYUMWQMCFKNP-QWRGUYRKSA-N 2 2 186.343 1.961 20 0 ADADLP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[NH+](C)C 38088057 409340238 /nfs/dbraw/zinc/34/02/38/409340238.db2.gz AUURJQLDXNMYGS-RYUDHWBXSA-N 2 2 196.338 1.882 20 0 ADADLP C[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CC1 38088487 409340439 /nfs/dbraw/zinc/34/04/39/409340439.db2.gz JULXGMZPTXKQKB-IUCAKERBSA-N 2 2 170.300 1.325 20 0 ADADLP CCC(CC)C[NH2+]C[C@H](C)[NH+](C)C 38088721 409340730 /nfs/dbraw/zinc/34/07/30/409340730.db2.gz OYOLFAGMCUWMHB-JTQLQIEISA-N 2 2 186.343 1.962 20 0 ADADLP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+](C)C 38088059 409340935 /nfs/dbraw/zinc/34/09/35/409340935.db2.gz AUURJQLDXNMYGS-NWDGAFQWSA-N 2 2 196.338 1.882 20 0 ADADLP CC(C)[C@H](C)[N@H+](C)CC(C)(C)[NH3+] 40925970 409345404 /nfs/dbraw/zinc/34/54/04/409345404.db2.gz VOEJFBAKFYOCNP-VIFPVBQESA-N 2 2 172.316 1.700 20 0 ADADLP CC(C)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] 40925970 409345409 /nfs/dbraw/zinc/34/54/09/409345409.db2.gz VOEJFBAKFYOCNP-VIFPVBQESA-N 2 2 172.316 1.700 20 0 ADADLP C[N@H+](Cc1ccsc1)CC(C)(C)[NH3+] 40925931 409345573 /nfs/dbraw/zinc/34/55/73/409345573.db2.gz WZCMCAPAEWAUQD-UHFFFAOYSA-N 2 2 198.335 1.917 20 0 ADADLP C[N@@H+](Cc1ccsc1)CC(C)(C)[NH3+] 40925931 409345581 /nfs/dbraw/zinc/34/55/81/409345581.db2.gz WZCMCAPAEWAUQD-UHFFFAOYSA-N 2 2 198.335 1.917 20 0 ADADLP CCC[NH+](CCC)CC(C)(C)[NH3+] 40925752 409345681 /nfs/dbraw/zinc/34/56/81/409345681.db2.gz OBKJIDHWOHVVBJ-UHFFFAOYSA-N 2 2 172.316 1.846 20 0 ADADLP C[N@H+](Cc1ccccn1)CC(C)(C)[NH3+] 40925959 409345876 /nfs/dbraw/zinc/34/58/76/409345876.db2.gz MIYDNKPVWDKYMD-UHFFFAOYSA-N 2 2 193.294 1.251 20 0 ADADLP C[N@@H+](Cc1ccccn1)CC(C)(C)[NH3+] 40925959 409345880 /nfs/dbraw/zinc/34/58/80/409345880.db2.gz MIYDNKPVWDKYMD-UHFFFAOYSA-N 2 2 193.294 1.251 20 0 ADADLP C[N@H+](Cc1cccnc1)CC(C)(C)[NH3+] 40925954 409346238 /nfs/dbraw/zinc/34/62/38/409346238.db2.gz NATVYAZUWDSLLY-UHFFFAOYSA-N 2 2 193.294 1.251 20 0 ADADLP C[N@@H+](Cc1cccnc1)CC(C)(C)[NH3+] 40925954 409346240 /nfs/dbraw/zinc/34/62/40/409346240.db2.gz NATVYAZUWDSLLY-UHFFFAOYSA-N 2 2 193.294 1.251 20 0 ADADLP C[N@H+](Cc1cccs1)CC(C)(C)[NH3+] 40925927 409346445 /nfs/dbraw/zinc/34/64/45/409346445.db2.gz HLRZTEHMLZUBHN-UHFFFAOYSA-N 2 2 198.335 1.917 20 0 ADADLP C[N@@H+](Cc1cccs1)CC(C)(C)[NH3+] 40925927 409346447 /nfs/dbraw/zinc/34/64/47/409346447.db2.gz HLRZTEHMLZUBHN-UHFFFAOYSA-N 2 2 198.335 1.917 20 0 ADADLP CC[C@H](C)C[N@H+](C)CC(C)(C)[NH3+] 40925909 409346463 /nfs/dbraw/zinc/34/64/63/409346463.db2.gz XWPFRJWQMKYJDK-VIFPVBQESA-N 2 2 172.316 1.702 20 0 ADADLP CC[C@H](C)C[N@@H+](C)CC(C)(C)[NH3+] 40925909 409346469 /nfs/dbraw/zinc/34/64/69/409346469.db2.gz XWPFRJWQMKYJDK-VIFPVBQESA-N 2 2 172.316 1.702 20 0 ADADLP CC[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] 40925889 409346576 /nfs/dbraw/zinc/34/65/76/409346576.db2.gz HXSLTIFLLHKDSP-MRVPVSSYSA-N 2 2 158.289 1.454 20 0 ADADLP CC[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] 40925889 409346581 /nfs/dbraw/zinc/34/65/81/409346581.db2.gz HXSLTIFLLHKDSP-MRVPVSSYSA-N 2 2 158.289 1.454 20 0 ADADLP CC(C)C[N@H+](C)CC(C)(C)[NH3+] 40925886 409347085 /nfs/dbraw/zinc/34/70/85/409347085.db2.gz PCNGBGQLVFTDTC-UHFFFAOYSA-N 2 2 158.289 1.312 20 0 ADADLP CC(C)C[N@@H+](C)CC(C)(C)[NH3+] 40925886 409347090 /nfs/dbraw/zinc/34/70/90/409347090.db2.gz PCNGBGQLVFTDTC-UHFFFAOYSA-N 2 2 158.289 1.312 20 0 ADADLP CC[C@H](C)[N@H+](C)CC(C)(C)[NH3+] 40925892 409347291 /nfs/dbraw/zinc/34/72/91/409347291.db2.gz HXSLTIFLLHKDSP-QMMMGPOBSA-N 2 2 158.289 1.454 20 0 ADADLP CC[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] 40925892 409347295 /nfs/dbraw/zinc/34/72/95/409347295.db2.gz HXSLTIFLLHKDSP-QMMMGPOBSA-N 2 2 158.289 1.454 20 0 ADADLP C[C@H](C1CC1)[N@H+](C)CC(C)(C)[NH3+] 40925965 409347332 /nfs/dbraw/zinc/34/73/32/409347332.db2.gz AFGHGIGSRBJSQM-MRVPVSSYSA-N 2 2 170.300 1.454 20 0 ADADLP C[C@H](C1CC1)[N@@H+](C)CC(C)(C)[NH3+] 40925965 409347336 /nfs/dbraw/zinc/34/73/36/409347336.db2.gz AFGHGIGSRBJSQM-MRVPVSSYSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H](C)C[N@@H+](C)CC(C)(C)[NH3+] 40925906 409347601 /nfs/dbraw/zinc/34/76/01/409347601.db2.gz XWPFRJWQMKYJDK-SECBINFHSA-N 2 2 172.316 1.702 20 0 ADADLP CC[C@@H](C)C[N@H+](C)CC(C)(C)[NH3+] 40925906 409347598 /nfs/dbraw/zinc/34/75/98/409347598.db2.gz XWPFRJWQMKYJDK-SECBINFHSA-N 2 2 172.316 1.702 20 0 ADADLP CC(C)[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] 40925968 409347643 /nfs/dbraw/zinc/34/76/43/409347643.db2.gz VOEJFBAKFYOCNP-SECBINFHSA-N 2 2 172.316 1.700 20 0 ADADLP CC(C)[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] 40925968 409347648 /nfs/dbraw/zinc/34/76/48/409347648.db2.gz VOEJFBAKFYOCNP-SECBINFHSA-N 2 2 172.316 1.700 20 0 ADADLP CCCC[N@H+](CC)CC(C)(C)[NH3+] 40925787 409347661 /nfs/dbraw/zinc/34/76/61/409347661.db2.gz AOTMFJQVOVTAJT-UHFFFAOYSA-N 2 2 172.316 1.846 20 0 ADADLP CCCC[N@@H+](CC)CC(C)(C)[NH3+] 40925787 409347666 /nfs/dbraw/zinc/34/76/66/409347666.db2.gz AOTMFJQVOVTAJT-UHFFFAOYSA-N 2 2 172.316 1.846 20 0 ADADLP C[N@H+](Cc1ccncc1)CC(C)(C)[NH3+] 40925956 409347709 /nfs/dbraw/zinc/34/77/09/409347709.db2.gz MHFIVBIFEIASIU-UHFFFAOYSA-N 2 2 193.294 1.251 20 0 ADADLP C[N@@H+](Cc1ccncc1)CC(C)(C)[NH3+] 40925956 409347714 /nfs/dbraw/zinc/34/77/14/409347714.db2.gz MHFIVBIFEIASIU-UHFFFAOYSA-N 2 2 193.294 1.251 20 0 ADADLP CCC[N@@H+](CC1CC1)C[C@@H](C)[NH3+] 42317763 409350485 /nfs/dbraw/zinc/35/04/85/409350485.db2.gz FTOHOZRDVVQNPQ-SECBINFHSA-N 2 2 170.300 1.456 20 0 ADADLP CCC[N@H+](CC1CC1)C[C@@H](C)[NH3+] 42317763 409350490 /nfs/dbraw/zinc/35/04/90/409350490.db2.gz FTOHOZRDVVQNPQ-SECBINFHSA-N 2 2 170.300 1.456 20 0 ADADLP CCC[N@@H+](CC1CC1)C[C@H](C)[NH3+] 42317767 409351050 /nfs/dbraw/zinc/35/10/50/409351050.db2.gz FTOHOZRDVVQNPQ-VIFPVBQESA-N 2 2 170.300 1.456 20 0 ADADLP CCC[N@H+](CC1CC1)C[C@H](C)[NH3+] 42317767 409351052 /nfs/dbraw/zinc/35/10/52/409351052.db2.gz FTOHOZRDVVQNPQ-VIFPVBQESA-N 2 2 170.300 1.456 20 0 ADADLP CC(C)C[N@H+](CC(C)(C)[NH3+])C1CC1 42559880 409351896 /nfs/dbraw/zinc/35/18/96/409351896.db2.gz HRAWFLLTQKVLEG-UHFFFAOYSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[N@@H+](CC(C)(C)[NH3+])C1CC1 42559880 409351901 /nfs/dbraw/zinc/35/19/01/409351901.db2.gz HRAWFLLTQKVLEG-UHFFFAOYSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[N@H+](CC1CC1)CC(C)(C)[NH3+] 42593592 409352425 /nfs/dbraw/zinc/35/24/25/409352425.db2.gz RSEBHNSRFBNVOV-UHFFFAOYSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)[N@@H+](CC1CC1)CC(C)(C)[NH3+] 42593592 409352430 /nfs/dbraw/zinc/35/24/30/409352430.db2.gz RSEBHNSRFBNVOV-UHFFFAOYSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[N@H+](C[C@@H](C)[NH3+])C(C)C 44415125 409355828 /nfs/dbraw/zinc/35/58/28/409355828.db2.gz XIPURADGUFEKKN-SNVBAGLBSA-N 2 2 172.316 1.700 20 0 ADADLP CC(C)C[N@@H+](C[C@@H](C)[NH3+])C(C)C 44415125 409355831 /nfs/dbraw/zinc/35/58/31/409355831.db2.gz XIPURADGUFEKKN-SNVBAGLBSA-N 2 2 172.316 1.700 20 0 ADADLP CC(C)C[N@H+](C[C@H](C)[NH3+])C(C)C 44415126 409356559 /nfs/dbraw/zinc/35/65/59/409356559.db2.gz XIPURADGUFEKKN-JTQLQIEISA-N 2 2 172.316 1.700 20 0 ADADLP CC(C)C[N@@H+](C[C@H](C)[NH3+])C(C)C 44415126 409356567 /nfs/dbraw/zinc/35/65/67/409356567.db2.gz XIPURADGUFEKKN-JTQLQIEISA-N 2 2 172.316 1.700 20 0 ADADLP CC(C)[N@@H+](CC1CC1)C[C@H](C)[NH3+] 44415128 409357647 /nfs/dbraw/zinc/35/76/47/409357647.db2.gz UTLNVZYGOASHRL-VIFPVBQESA-N 2 2 170.300 1.454 20 0 ADADLP CC(C)[N@H+](CC1CC1)C[C@H](C)[NH3+] 44415128 409357652 /nfs/dbraw/zinc/35/76/52/409357652.db2.gz UTLNVZYGOASHRL-VIFPVBQESA-N 2 2 170.300 1.454 20 0 ADADLP CC(C)[N@@H+](CC1CC1)C[C@@H](C)[NH3+] 44415127 409357929 /nfs/dbraw/zinc/35/79/29/409357929.db2.gz UTLNVZYGOASHRL-SECBINFHSA-N 2 2 170.300 1.454 20 0 ADADLP CC(C)[N@H+](CC1CC1)C[C@@H](C)[NH3+] 44415127 409357935 /nfs/dbraw/zinc/35/79/35/409357935.db2.gz UTLNVZYGOASHRL-SECBINFHSA-N 2 2 170.300 1.454 20 0 ADADLP C[C@@H](c1cccs1)[N@H+](C)CC[NH3+] 49717062 409371416 /nfs/dbraw/zinc/37/14/16/409371416.db2.gz FCWVGNCVOSEWID-QMMMGPOBSA-N 2 2 184.308 1.700 20 0 ADADLP C[C@@H](c1cccs1)[N@@H+](C)CC[NH3+] 49717062 409371422 /nfs/dbraw/zinc/37/14/22/409371422.db2.gz FCWVGNCVOSEWID-QMMMGPOBSA-N 2 2 184.308 1.700 20 0 ADADLP Cc1nc(C)c([C@H](C)[NH2+]CC[NH3+])s1 49534990 409371709 /nfs/dbraw/zinc/37/17/09/409371709.db2.gz GTBKBAIOFPRSCJ-LURJTMIESA-N 2 2 199.323 1.369 20 0 ADADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccco1 49551904 409372680 /nfs/dbraw/zinc/37/26/80/409372680.db2.gz LXGAAFSWMOXDOC-SNVBAGLBSA-N 2 2 196.294 1.709 20 0 ADADLP C[C@H](c1cccs1)[N@H+](C)CC[NH3+] 49717063 409373327 /nfs/dbraw/zinc/37/33/27/409373327.db2.gz FCWVGNCVOSEWID-MRVPVSSYSA-N 2 2 184.308 1.700 20 0 ADADLP C[C@H](c1cccs1)[N@@H+](C)CC[NH3+] 49717063 409373330 /nfs/dbraw/zinc/37/33/30/409373330.db2.gz FCWVGNCVOSEWID-MRVPVSSYSA-N 2 2 184.308 1.700 20 0 ADADLP CCCCOCC[N@H+](CC)CC[NH3+] 49261716 409373440 /nfs/dbraw/zinc/37/34/40/409373440.db2.gz BBSHEITYDZUQGW-UHFFFAOYSA-N 2 2 188.315 1.084 20 0 ADADLP CCCCOCC[N@@H+](CC)CC[NH3+] 49261716 409373444 /nfs/dbraw/zinc/37/34/44/409373444.db2.gz BBSHEITYDZUQGW-UHFFFAOYSA-N 2 2 188.315 1.084 20 0 ADADLP Cc1nc(C)c([C@@H](C)[NH2+]CC[NH3+])s1 49534989 409373972 /nfs/dbraw/zinc/37/39/72/409373972.db2.gz GTBKBAIOFPRSCJ-ZCFIWIBFSA-N 2 2 199.323 1.369 20 0 ADADLP CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 653591505 409374750 /nfs/dbraw/zinc/37/47/50/409374750.db2.gz JYNMDPPFJUJLSU-VIFPVBQESA-N 2 2 179.267 1.229 20 0 ADADLP CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 653591505 409374757 /nfs/dbraw/zinc/37/47/57/409374757.db2.gz JYNMDPPFJUJLSU-VIFPVBQESA-N 2 2 179.267 1.229 20 0 ADADLP CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 653591504 409374925 /nfs/dbraw/zinc/37/49/25/409374925.db2.gz JYNMDPPFJUJLSU-SECBINFHSA-N 2 2 179.267 1.229 20 0 ADADLP CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 653591504 409374926 /nfs/dbraw/zinc/37/49/26/409374926.db2.gz JYNMDPPFJUJLSU-SECBINFHSA-N 2 2 179.267 1.229 20 0 ADADLP C[N@H+](CC[NH3+])CCc1cccs1 49805928 409375598 /nfs/dbraw/zinc/37/55/98/409375598.db2.gz IAMSNIBLKJRURP-UHFFFAOYSA-N 2 2 184.308 1.181 20 0 ADADLP C[N@@H+](CC[NH3+])CCc1cccs1 49805928 409375602 /nfs/dbraw/zinc/37/56/02/409375602.db2.gz IAMSNIBLKJRURP-UHFFFAOYSA-N 2 2 184.308 1.181 20 0 ADADLP CC[C@H](C)C[N@@H+]1CCC[C@@H]1C[NH2+]C 50425094 409379026 /nfs/dbraw/zinc/37/90/26/409379026.db2.gz KQRPSEAQCXRYJL-WDEREUQCSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H](C)C[N@H+]1CCC[C@@H]1C[NH2+]C 50425094 409379027 /nfs/dbraw/zinc/37/90/27/409379027.db2.gz KQRPSEAQCXRYJL-WDEREUQCSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1C[NH2+]C 50425092 409379351 /nfs/dbraw/zinc/37/93/51/409379351.db2.gz KQRPSEAQCXRYJL-GHMZBOCLSA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@@H](C)C[N@H+]1CCC[C@@H]1C[NH2+]C 50425092 409379357 /nfs/dbraw/zinc/37/93/57/409379357.db2.gz KQRPSEAQCXRYJL-GHMZBOCLSA-N 2 2 184.327 1.716 20 0 ADADLP C[NH2+]CC[NH2+][C@H](C)c1cccs1 53387828 409387795 /nfs/dbraw/zinc/38/77/95/409387795.db2.gz ZXNUQPHNCFHJQF-MRVPVSSYSA-N 2 2 184.308 1.618 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1cccs1 53387827 409388575 /nfs/dbraw/zinc/38/85/75/409388575.db2.gz ZXNUQPHNCFHJQF-QMMMGPOBSA-N 2 2 184.308 1.618 20 0 ADADLP C[C@@H](c1ccncc1)[N@H+](C)CC[NH3+] 54416714 409391775 /nfs/dbraw/zinc/39/17/75/409391775.db2.gz REUKDWYIMLWFDS-VIFPVBQESA-N 2 2 179.267 1.033 20 0 ADADLP C[C@@H](c1ccncc1)[N@@H+](C)CC[NH3+] 54416714 409391776 /nfs/dbraw/zinc/39/17/76/409391776.db2.gz REUKDWYIMLWFDS-VIFPVBQESA-N 2 2 179.267 1.033 20 0 ADADLP C[C@H](c1ccncc1)[N@H+](C)CC[NH3+] 54416715 409392491 /nfs/dbraw/zinc/39/24/91/409392491.db2.gz REUKDWYIMLWFDS-SECBINFHSA-N 2 2 179.267 1.033 20 0 ADADLP C[C@H](c1ccncc1)[N@@H+](C)CC[NH3+] 54416715 409392493 /nfs/dbraw/zinc/39/24/93/409392493.db2.gz REUKDWYIMLWFDS-SECBINFHSA-N 2 2 179.267 1.033 20 0 ADADLP C[C@@H](c1cccc(F)c1)[N@H+](C)CC[NH3+] 54416823 409392789 /nfs/dbraw/zinc/39/27/89/409392789.db2.gz MIWOWHXRTTXUGJ-VIFPVBQESA-N 2 2 196.269 1.777 20 0 ADADLP C[C@@H](c1cccc(F)c1)[N@@H+](C)CC[NH3+] 54416823 409392791 /nfs/dbraw/zinc/39/27/91/409392791.db2.gz MIWOWHXRTTXUGJ-VIFPVBQESA-N 2 2 196.269 1.777 20 0 ADADLP CC[NH2+]CC[NH2+][C@H](C)c1ccccc1 58852768 409393733 /nfs/dbraw/zinc/39/37/33/409393733.db2.gz VXXVRIUTNTXOMX-LLVKDONJSA-N 2 2 192.306 1.947 20 0 ADADLP Cc1cccc([C@@H](C)[N@H+](C)CC[NH3+])c1 54417146 409393832 /nfs/dbraw/zinc/39/38/32/409393832.db2.gz JPLKROAWYCOXLJ-LLVKDONJSA-N 2 2 192.306 1.947 20 0 ADADLP Cc1cccc([C@@H](C)[N@@H+](C)CC[NH3+])c1 54417146 409393835 /nfs/dbraw/zinc/39/38/35/409393835.db2.gz JPLKROAWYCOXLJ-LLVKDONJSA-N 2 2 192.306 1.947 20 0 ADADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccccc1 58852762 409394695 /nfs/dbraw/zinc/39/46/95/409394695.db2.gz VXXVRIUTNTXOMX-NSHDSACASA-N 2 2 192.306 1.947 20 0 ADADLP C[C@H](c1cccc(F)c1)[N@H+](C)CC[NH3+] 54416824 409395029 /nfs/dbraw/zinc/39/50/29/409395029.db2.gz MIWOWHXRTTXUGJ-SECBINFHSA-N 2 2 196.269 1.777 20 0 ADADLP C[C@H](c1cccc(F)c1)[N@@H+](C)CC[NH3+] 54416824 409395031 /nfs/dbraw/zinc/39/50/31/409395031.db2.gz MIWOWHXRTTXUGJ-SECBINFHSA-N 2 2 196.269 1.777 20 0 ADADLP Cc1cccc([C@H](C)[N@H+](C)CC[NH3+])c1 54417148 409395371 /nfs/dbraw/zinc/39/53/71/409395371.db2.gz JPLKROAWYCOXLJ-NSHDSACASA-N 2 2 192.306 1.947 20 0 ADADLP Cc1cccc([C@H](C)[N@@H+](C)CC[NH3+])c1 54417148 409395378 /nfs/dbraw/zinc/39/53/78/409395378.db2.gz JPLKROAWYCOXLJ-NSHDSACASA-N 2 2 192.306 1.947 20 0 ADADLP C[NH2+]CC[NH2+][C@@H](C)c1ccccc1 58848105 409395582 /nfs/dbraw/zinc/39/55/82/409395582.db2.gz ZXSFHHMOSGYLRT-JTQLQIEISA-N 2 2 178.279 1.557 20 0 ADADLP CCc1ccccc1C[N@H+](C)CC[NH3+] 54417122 409396097 /nfs/dbraw/zinc/39/60/97/409396097.db2.gz OUVRTKIAWVVLII-UHFFFAOYSA-N 2 2 192.306 1.640 20 0 ADADLP CCc1ccccc1C[N@@H+](C)CC[NH3+] 54417122 409396100 /nfs/dbraw/zinc/39/61/00/409396100.db2.gz OUVRTKIAWVVLII-UHFFFAOYSA-N 2 2 192.306 1.640 20 0 ADADLP C[N@H+](CC1CCC1)CC(C)(C)[NH3+] 61482978 409398835 /nfs/dbraw/zinc/39/88/35/409398835.db2.gz WJAXTQHRPKODSS-UHFFFAOYSA-N 2 2 170.300 1.456 20 0 ADADLP C[N@@H+](CC1CCC1)CC(C)(C)[NH3+] 61482978 409398839 /nfs/dbraw/zinc/39/88/39/409398839.db2.gz WJAXTQHRPKODSS-UHFFFAOYSA-N 2 2 170.300 1.456 20 0 ADADLP C[NH2+][C@@H]1CC[N@H+](CCCC(C)C)C1 62097925 409401767 /nfs/dbraw/zinc/40/17/67/409401767.db2.gz WKVQCAFEDSCNLD-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP C[NH2+][C@@H]1CC[N@@H+](CCCC(C)C)C1 62097925 409401771 /nfs/dbraw/zinc/40/17/71/409401771.db2.gz WKVQCAFEDSCNLD-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP C[NH2+][C@H]1CC[N@H+](CCCC(C)C)C1 62097923 409402086 /nfs/dbraw/zinc/40/20/86/409402086.db2.gz WKVQCAFEDSCNLD-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP C[NH2+][C@H]1CC[N@@H+](CCCC(C)C)C1 62097923 409402092 /nfs/dbraw/zinc/40/20/92/409402092.db2.gz WKVQCAFEDSCNLD-NSHDSACASA-N 2 2 184.327 1.716 20 0 ADADLP CC[C@H]([NH2+]CC[NH2+]C)c1ccccc1 66189917 409406201 /nfs/dbraw/zinc/40/62/01/409406201.db2.gz HBXUGSKVILSRRG-LBPRGKRZSA-N 2 2 192.306 1.947 20 0 ADADLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccccc1 66189918 409406567 /nfs/dbraw/zinc/40/65/67/409406567.db2.gz HBXUGSKVILSRRG-GFCCVEGCSA-N 2 2 192.306 1.947 20 0 ADADLP CCCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 63191367 409407248 /nfs/dbraw/zinc/40/72/48/409407248.db2.gz JJIDFCILGPALQR-MNOVXSKESA-N 2 2 184.327 1.988 20 0 ADADLP CCCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 63191367 409407250 /nfs/dbraw/zinc/40/72/50/409407250.db2.gz JJIDFCILGPALQR-MNOVXSKESA-N 2 2 184.327 1.988 20 0 ADADLP CCCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63191366 409407457 /nfs/dbraw/zinc/40/74/57/409407457.db2.gz JJIDFCILGPALQR-GHMZBOCLSA-N 2 2 184.327 1.988 20 0 ADADLP CC[N@H+](CC1CC1)CC(C)(C)[NH3+] 68947603 409409976 /nfs/dbraw/zinc/40/99/76/409409976.db2.gz ADAHKWFAQFQQBS-UHFFFAOYSA-N 2 2 170.300 1.456 20 0 ADADLP CC[N@@H+](CC1CC1)CC(C)(C)[NH3+] 68947603 409409980 /nfs/dbraw/zinc/40/99/80/409409980.db2.gz ADAHKWFAQFQQBS-UHFFFAOYSA-N 2 2 170.300 1.456 20 0 ADADLP C[C@H]([NH3+])C[NH+](CC1CC1)CC1CC1 70064184 409416974 /nfs/dbraw/zinc/41/69/74/409416974.db2.gz KAFKDDAHBBXDIS-VIFPVBQESA-N 2 2 182.311 1.456 20 0 ADADLP C[C@@H]([NH3+])C[NH+](CC1CC1)CC1CC1 70064185 409417358 /nfs/dbraw/zinc/41/73/58/409417358.db2.gz KAFKDDAHBBXDIS-SECBINFHSA-N 2 2 182.311 1.456 20 0 ADADLP CCC[N@@H+]1CC[C@@H]([NH2+]C(C)C)C1 70584412 409427498 /nfs/dbraw/zinc/42/74/98/409427498.db2.gz SXPOMIXVXGZUBZ-SNVBAGLBSA-N 2 2 170.300 1.469 20 0 ADADLP CCC[N@H+]1CC[C@@H]([NH2+]C(C)C)C1 70584412 409427503 /nfs/dbraw/zinc/42/75/03/409427503.db2.gz SXPOMIXVXGZUBZ-SNVBAGLBSA-N 2 2 170.300 1.469 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 70584411 409427961 /nfs/dbraw/zinc/42/79/61/409427961.db2.gz SXPOMIXVXGZUBZ-JTQLQIEISA-N 2 2 170.300 1.469 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+]C(C)C)C1 70584411 409427965 /nfs/dbraw/zinc/42/79/65/409427965.db2.gz SXPOMIXVXGZUBZ-JTQLQIEISA-N 2 2 170.300 1.469 20 0 ADADLP CCC[N@H+](CC)CCc1c[nH+]cn1C 656420751 409429474 /nfs/dbraw/zinc/42/94/74/409429474.db2.gz MEVQEAQWVIJKNH-UHFFFAOYSA-N 2 2 195.310 1.695 20 0 ADADLP CCC[N@@H+](CC)CCc1c[nH+]cn1C 656420751 409429477 /nfs/dbraw/zinc/42/94/77/409429477.db2.gz MEVQEAQWVIJKNH-UHFFFAOYSA-N 2 2 195.310 1.695 20 0 ADADLP CC[NH+](CC)CCc1c[nH+]cn1C 656402885 409429711 /nfs/dbraw/zinc/42/97/11/409429711.db2.gz ULKALXHPKLYGIU-UHFFFAOYSA-N 2 2 181.283 1.304 20 0 ADADLP Cn1c[nH+]cc1CC[N@@H+]1CC=CCC1 656494734 409437630 /nfs/dbraw/zinc/43/76/30/409437630.db2.gz JSNUYNCJMIWMIK-UHFFFAOYSA-N 2 2 191.278 1.225 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC2(CCC2)C1 656618311 409445929 /nfs/dbraw/zinc/44/59/29/409445929.db2.gz VISNQYCPTYAFHB-JTQLQIEISA-N 2 2 196.338 1.859 20 0 ADADLP C[N@H+](CC1=CCCOC1)CC(C)(C)[NH3+] 656790998 409451793 /nfs/dbraw/zinc/45/17/93/409451793.db2.gz PCOPRTFYVSXZDU-UHFFFAOYSA-N 2 2 198.310 1.002 20 0 ADADLP C[N@@H+](CC1=CCCOC1)CC(C)(C)[NH3+] 656790998 409451794 /nfs/dbraw/zinc/45/17/94/409451794.db2.gz PCOPRTFYVSXZDU-UHFFFAOYSA-N 2 2 198.310 1.002 20 0 ADADLP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 107785267 409458999 /nfs/dbraw/zinc/45/89/99/409458999.db2.gz SPCBLEXKNQBGRS-NXEZZACHSA-N 2 2 170.300 1.469 20 0 ADADLP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 107785267 409459001 /nfs/dbraw/zinc/45/90/01/409459001.db2.gz SPCBLEXKNQBGRS-NXEZZACHSA-N 2 2 170.300 1.469 20 0 ADADLP CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 107785269 409460295 /nfs/dbraw/zinc/46/02/95/409460295.db2.gz SPCBLEXKNQBGRS-VHSXEESVSA-N 2 2 170.300 1.469 20 0 ADADLP CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 107785269 409460296 /nfs/dbraw/zinc/46/02/96/409460296.db2.gz SPCBLEXKNQBGRS-VHSXEESVSA-N 2 2 170.300 1.469 20 0 ADADLP CC[N@H+](CC[NH3+])[C@H](C)c1ccncc1 113602199 409463534 /nfs/dbraw/zinc/46/35/34/409463534.db2.gz KXTHCWKKHJROSM-SNVBAGLBSA-N 2 2 193.294 1.423 20 0 ADADLP CC[N@@H+](CC[NH3+])[C@H](C)c1ccncc1 113602199 409463538 /nfs/dbraw/zinc/46/35/38/409463538.db2.gz KXTHCWKKHJROSM-SNVBAGLBSA-N 2 2 193.294 1.423 20 0 ADADLP CC[N@H+](CC[NH3+])[C@H](C)c1cccnc1 113604286 409463551 /nfs/dbraw/zinc/46/35/51/409463551.db2.gz XLVWILMQXPSQDH-SNVBAGLBSA-N 2 2 193.294 1.423 20 0 ADADLP CC[N@@H+](CC[NH3+])[C@H](C)c1cccnc1 113604286 409463553 /nfs/dbraw/zinc/46/35/53/409463553.db2.gz XLVWILMQXPSQDH-SNVBAGLBSA-N 2 2 193.294 1.423 20 0 ADADLP CC[N@H+](CC[NH3+])[C@@H](C)c1ccncc1 113602196 409463595 /nfs/dbraw/zinc/46/35/95/409463595.db2.gz KXTHCWKKHJROSM-JTQLQIEISA-N 2 2 193.294 1.423 20 0 ADADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1ccncc1 113602196 409463598 /nfs/dbraw/zinc/46/35/98/409463598.db2.gz KXTHCWKKHJROSM-JTQLQIEISA-N 2 2 193.294 1.423 20 0 ADADLP CC[N@H+](CC[NH3+])[C@@H](C)c1cccnc1 113604283 409463700 /nfs/dbraw/zinc/46/37/00/409463700.db2.gz XLVWILMQXPSQDH-JTQLQIEISA-N 2 2 193.294 1.423 20 0 ADADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1cccnc1 113604283 409463704 /nfs/dbraw/zinc/46/37/04/409463704.db2.gz XLVWILMQXPSQDH-JTQLQIEISA-N 2 2 193.294 1.423 20 0 ADADLP CC(C)C[NH2+]Cc1c[nH+]c2n1CCC2 657285378 409465407 /nfs/dbraw/zinc/46/54/07/409465407.db2.gz AZQJBOTXRMZQKD-UHFFFAOYSA-N 2 2 193.294 1.575 20 0 ADADLP c1[nH+]c2n(c1C[NH2+]C1CC1)CCC2 657285258 409466241 /nfs/dbraw/zinc/46/62/41/409466241.db2.gz AKHLEFLVGZHGKI-UHFFFAOYSA-N 2 2 177.251 1.081 20 0 ADADLP Cc1[nH+]cc(C[NH2+][C@H](C)C2CC2)n1C 657292991 409466932 /nfs/dbraw/zinc/46/69/32/409466932.db2.gz HTYPTTDLBZUUEY-MRVPVSSYSA-N 2 2 193.294 1.617 20 0 ADADLP CCCC[NH2+]Cc1c[nH+]c(C)n1C 657286942 409466963 /nfs/dbraw/zinc/46/69/63/409466963.db2.gz SYRGBSKCZWCLMJ-UHFFFAOYSA-N 2 2 181.283 1.618 20 0 ADADLP CC(C)[NH2+]Cc1c[nH+]c2n1CCC2 657287006 409467099 /nfs/dbraw/zinc/46/70/99/409467099.db2.gz FYDPDOUXXMUZAI-UHFFFAOYSA-N 2 2 179.267 1.327 20 0 ADADLP CC[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C 657286893 409467152 /nfs/dbraw/zinc/46/71/52/409467152.db2.gz FANHARBMGQNHQJ-MRVPVSSYSA-N 2 2 181.283 1.617 20 0 ADADLP CCC[NH2+]Cc1c[nH+]c2n1CCC2 657286229 409467214 /nfs/dbraw/zinc/46/72/14/409467214.db2.gz WAQNFVFSHJFAGX-UHFFFAOYSA-N 2 2 179.267 1.329 20 0 ADADLP Cc1[nH+]cc(C[NH2+]CCC(C)C)n1C 657286409 409467610 /nfs/dbraw/zinc/46/76/10/409467610.db2.gz NEKVWKBHCUYKEL-UHFFFAOYSA-N 2 2 195.310 1.864 20 0 ADADLP CC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 657287237 409467660 /nfs/dbraw/zinc/46/76/60/409467660.db2.gz JIQQGFQTVZTCHW-SECBINFHSA-N 2 2 193.294 1.717 20 0 ADADLP CCCC[NH2+]Cc1c[nH+]c2n1CCC2 657286926 409467933 /nfs/dbraw/zinc/46/79/33/409467933.db2.gz SQBKPOYFFFGJBT-UHFFFAOYSA-N 2 2 193.294 1.719 20 0 ADADLP CC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 657287238 409468110 /nfs/dbraw/zinc/46/81/10/409468110.db2.gz JIQQGFQTVZTCHW-VIFPVBQESA-N 2 2 193.294 1.717 20 0 ADADLP CC[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C 657286896 409468219 /nfs/dbraw/zinc/46/82/19/409468219.db2.gz FANHARBMGQNHQJ-QMMMGPOBSA-N 2 2 181.283 1.617 20 0 ADADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC2(C)C)n1C 657327502 409469117 /nfs/dbraw/zinc/46/91/17/409469117.db2.gz XNWCTDGHBJXFHD-SNVBAGLBSA-N 2 2 193.294 1.617 20 0 ADADLP Cc1[nH+]cc(C[NH2+]C[C@H]2C[C@H]2C)n1C 657309853 409469421 /nfs/dbraw/zinc/46/94/21/409469421.db2.gz JAAGRNGLCWJSFD-PSASIEDQSA-N 2 2 193.294 1.474 20 0 ADADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)C)n1C 657325880 409469425 /nfs/dbraw/zinc/46/94/25/409469425.db2.gz AADPAIRBFSUTAP-UHFFFAOYSA-N 2 2 195.310 1.864 20 0 ADADLP c1[nH+]c2n(c1C[NH+]1CCCC1)CCC2 657295166 409469474 /nfs/dbraw/zinc/46/94/74/409469474.db2.gz JPSVQIPZBPRYME-UHFFFAOYSA-N 2 2 191.278 1.425 20 0 ADADLP Cc1[nH+]cc(C[NH2+]C[C@H]2C[C@@H]2C)n1C 657309856 409469494 /nfs/dbraw/zinc/46/94/94/409469494.db2.gz JAAGRNGLCWJSFD-WCBMZHEXSA-N 2 2 193.294 1.474 20 0 ADADLP Cc1[nH+]cc(C[NH2+][C@H]2CC2(C)C)n1C 657327500 409469669 /nfs/dbraw/zinc/46/96/69/409469669.db2.gz XNWCTDGHBJXFHD-JTQLQIEISA-N 2 2 193.294 1.617 20 0 ADADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[C@@H]2C)n1C 657309858 409469703 /nfs/dbraw/zinc/46/97/03/409469703.db2.gz JAAGRNGLCWJSFD-WPRPVWTQSA-N 2 2 193.294 1.474 20 0 ADADLP Cc1[nH+]cc(C[NH2+]CC2CC2)n1C 657304844 409469780 /nfs/dbraw/zinc/46/97/80/409469780.db2.gz SCXAFDAUJPZAKC-UHFFFAOYSA-N 2 2 179.267 1.228 20 0 ADADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[C@H]2C)n1C 657309854 409470021 /nfs/dbraw/zinc/47/00/21/409470021.db2.gz JAAGRNGLCWJSFD-SCZZXKLOSA-N 2 2 193.294 1.474 20 0 ADADLP c1[nH+]c2n(c1C[NH2+]CC1CC1)CCC2 657304158 409470049 /nfs/dbraw/zinc/47/00/49/409470049.db2.gz KIHQCBYOFSHMJY-UHFFFAOYSA-N 2 2 191.278 1.329 20 0 ADADLP CC(C)(C)[NH2+]Cc1c[nH+]c2n1CCC2 657304361 409470278 /nfs/dbraw/zinc/47/02/78/409470278.db2.gz GDBQBXXRNXYVIL-UHFFFAOYSA-N 2 2 193.294 1.717 20 0 ADADLP Cc1[nH+]cc(C[NH2+]CC2CCC2)n1C 657331762 409471717 /nfs/dbraw/zinc/47/17/17/409471717.db2.gz OKZTXOABQJIBKV-UHFFFAOYSA-N 2 2 193.294 1.618 20 0 ADADLP Cc1[nH+]cc(C[NH2+]C2CC(C)C2)n1C 657382205 409473547 /nfs/dbraw/zinc/47/35/47/409473547.db2.gz BSNXULCVYQTMPF-UHFFFAOYSA-N 2 2 193.294 1.617 20 0 ADADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(O)c1 125543331 409473695 /nfs/dbraw/zinc/47/36/95/409473695.db2.gz BVKOQHAADSKHSI-VIFPVBQESA-N 2 2 194.278 1.171 20 0 ADADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(O)c1 125543331 409473722 /nfs/dbraw/zinc/47/37/22/409473722.db2.gz BVKOQHAADSKHSI-VIFPVBQESA-N 2 2 194.278 1.171 20 0 ADADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(O)c1 125543524 409473779 /nfs/dbraw/zinc/47/37/79/409473779.db2.gz BVKOQHAADSKHSI-SECBINFHSA-N 2 2 194.278 1.171 20 0 ADADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(O)c1 125543524 409473783 /nfs/dbraw/zinc/47/37/83/409473783.db2.gz BVKOQHAADSKHSI-SECBINFHSA-N 2 2 194.278 1.171 20 0 ADADLP Cc1[nH+]cc(C[NH2+]CCC2CC2)n1C 657378867 409474226 /nfs/dbraw/zinc/47/42/26/409474226.db2.gz NBQFGBGYJKAXMZ-UHFFFAOYSA-N 2 2 193.294 1.618 20 0 ADADLP Cc1[nH+]cc(C[NH2+]CC2(C)CC2)n1C 657387328 409474500 /nfs/dbraw/zinc/47/45/00/409474500.db2.gz ODKYACNHGOBEGV-UHFFFAOYSA-N 2 2 193.294 1.618 20 0 ADADLP Cc1[nH+]cc(C[NH2+]C2CC=CC2)n1C 657396342 409474624 /nfs/dbraw/zinc/47/46/24/409474624.db2.gz RCPODHIKFXNOON-UHFFFAOYSA-N 2 2 191.278 1.537 20 0 ADADLP Cc1[nH+]cc(C[NH2+]C2(C)CCC2)n1C 657416289 409475326 /nfs/dbraw/zinc/47/53/26/409475326.db2.gz MVHWNMZFPGRLPX-UHFFFAOYSA-N 2 2 193.294 1.761 20 0 ADADLP FCCC[NH2+]Cc1c[nH+]c2n1CCC2 657399326 409476373 /nfs/dbraw/zinc/47/63/73/409476373.db2.gz HPFNPWNRFSPKBP-UHFFFAOYSA-N 2 2 197.257 1.279 20 0 ADADLP CC(C)=CC[NH2+]Cc1c[nH+]c(C)n1C 657448481 409476424 /nfs/dbraw/zinc/47/64/24/409476424.db2.gz QHZFEZUXDZYWHS-UHFFFAOYSA-N 2 2 193.294 1.784 20 0 ADADLP CC/C=C\C[NH2+]Cc1c[nH+]c(C)n1C 657478733 409476895 /nfs/dbraw/zinc/47/68/95/409476895.db2.gz DRZZXXSIUSOXQQ-WAYWQWQTSA-N 2 2 193.294 1.784 20 0 ADADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CF)n1C 657466616 409477218 /nfs/dbraw/zinc/47/72/18/409477218.db2.gz KNZZGCMVTMHAKO-ZETCQYMHSA-N 2 2 185.246 1.176 20 0 ADADLP CC/C=C/C[NH2+]Cc1c[nH+]c(C)n1C 657478732 409477543 /nfs/dbraw/zinc/47/75/43/409477543.db2.gz DRZZXXSIUSOXQQ-AATRIKPKSA-N 2 2 193.294 1.784 20 0 ADADLP C[C@@H](CF)[NH2+]Cc1c[nH+]c2n1CCC2 657466403 409477860 /nfs/dbraw/zinc/47/78/60/409477860.db2.gz IGFQCOHSAGXRKU-QMMMGPOBSA-N 2 2 197.257 1.277 20 0 ADADLP Cc1[nH+]cc(C[NH2+][C@H](C)CF)n1C 657466615 409477951 /nfs/dbraw/zinc/47/79/51/409477951.db2.gz KNZZGCMVTMHAKO-SSDOTTSWSA-N 2 2 185.246 1.176 20 0 ADADLP C[C@H](CF)[NH2+]Cc1c[nH+]c2n1CCC2 657466401 409478026 /nfs/dbraw/zinc/47/80/26/409478026.db2.gz IGFQCOHSAGXRKU-MRVPVSSYSA-N 2 2 197.257 1.277 20 0 ADADLP CCC1([NH2+]Cc2c[nH+]c(C)n2C)CC1 657478673 409478390 /nfs/dbraw/zinc/47/83/90/409478390.db2.gz MBPDZWYFMVBJCZ-UHFFFAOYSA-N 2 2 193.294 1.761 20 0 ADADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CC2CC2)C1 657563664 409481272 /nfs/dbraw/zinc/48/12/72/409481272.db2.gz SZPSPRZDUCQKAG-LLVKDONJSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CC2CC2)C1 657563664 409481277 /nfs/dbraw/zinc/48/12/77/409481277.db2.gz SZPSPRZDUCQKAG-LLVKDONJSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CC2CC2)C1 657563666 409481640 /nfs/dbraw/zinc/48/16/40/409481640.db2.gz SZPSPRZDUCQKAG-NSHDSACASA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CC2CC2)C1 657563666 409481643 /nfs/dbraw/zinc/48/16/43/409481643.db2.gz SZPSPRZDUCQKAG-NSHDSACASA-N 2 2 196.338 1.859 20 0 ADADLP Cc1noc(C)c1C[N@H+](C)CCC[NH3+] 133211931 409494441 /nfs/dbraw/zinc/49/44/41/409494441.db2.gz KXXIPMOZDHEJSL-UHFFFAOYSA-N 2 2 197.282 1.072 20 0 ADADLP Cc1noc(C)c1C[N@@H+](C)CCC[NH3+] 133211931 409494446 /nfs/dbraw/zinc/49/44/46/409494446.db2.gz KXXIPMOZDHEJSL-UHFFFAOYSA-N 2 2 197.282 1.072 20 0 ADADLP C[C@@H](C[NH2+][C@H](C)CC1CC1)[NH+](C)C 133292150 409495670 /nfs/dbraw/zinc/49/56/70/409495670.db2.gz WTFHTBGONJUKQB-ZJUUUORDSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H](CC1CC1)[NH2+]C[C@H](C)[NH+](C)C 133291959 409496150 /nfs/dbraw/zinc/49/61/50/409496150.db2.gz WTFHTBGONJUKQB-UWVGGRQHSA-N 2 2 184.327 1.715 20 0 ADADLP Cc1nc(C[N@H+](C)CCC[NH3+])oc1C 133223134 409496174 /nfs/dbraw/zinc/49/61/74/409496174.db2.gz DLYOWPZJNDJBQO-UHFFFAOYSA-N 2 2 197.282 1.072 20 0 ADADLP Cc1nc(C[N@@H+](C)CCC[NH3+])oc1C 133223134 409496178 /nfs/dbraw/zinc/49/61/78/409496178.db2.gz DLYOWPZJNDJBQO-UHFFFAOYSA-N 2 2 197.282 1.072 20 0 ADADLP C1CC(CC[N@@H+]2CCC[NH2+]CC2)C1 133954362 409498158 /nfs/dbraw/zinc/49/81/58/409498158.db2.gz SRMDKDCZLGOWPY-UHFFFAOYSA-N 2 2 182.311 1.472 20 0 ADADLP C1CC(CC[N@H+]2CCC[NH2+]CC2)C1 133954362 409498160 /nfs/dbraw/zinc/49/81/60/409498160.db2.gz SRMDKDCZLGOWPY-UHFFFAOYSA-N 2 2 182.311 1.472 20 0 ADADLP CC[C@@H]([NH2+]CC[NH3+])c1ccccc1F 168116296 409505089 /nfs/dbraw/zinc/50/50/89/409505089.db2.gz ASJZWSXDMAUICN-LLVKDONJSA-N 2 2 196.269 1.825 20 0 ADADLP CC[C@H]([NH2+]CC[NH3+])c1ccccc1F 168116188 409505130 /nfs/dbraw/zinc/50/51/30/409505130.db2.gz ASJZWSXDMAUICN-NSHDSACASA-N 2 2 196.269 1.825 20 0 ADADLP CC(C)C[C@H](C)C[N@H+]1CCC[NH2+]CC1 300848632 409537033 /nfs/dbraw/zinc/53/70/33/409537033.db2.gz DYTMCBDSOBDXKR-LBPRGKRZSA-N 2 2 198.354 1.964 20 0 ADADLP CC(C)C[C@H](C)C[N@@H+]1CCC[NH2+]CC1 300848632 409537028 /nfs/dbraw/zinc/53/70/28/409537028.db2.gz DYTMCBDSOBDXKR-LBPRGKRZSA-N 2 2 198.354 1.964 20 0 ADADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[NH2+]CC1 300848631 409538225 /nfs/dbraw/zinc/53/82/25/409538225.db2.gz DYTMCBDSOBDXKR-GFCCVEGCSA-N 2 2 198.354 1.964 20 0 ADADLP CC(C)C[C@@H](C)C[N@H+]1CCC[NH2+]CC1 300848631 409538231 /nfs/dbraw/zinc/53/82/31/409538231.db2.gz DYTMCBDSOBDXKR-GFCCVEGCSA-N 2 2 198.354 1.964 20 0 ADADLP Cc1[nH+]cn(Cc2cn(C)c[nH+]2)c1C 659925165 409565594 /nfs/dbraw/zinc/56/55/94/409565594.db2.gz NULANFZAQGZFQL-UHFFFAOYSA-N 2 2 190.250 1.282 20 0 ADADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](C)[NH3+] 306687174 409583004 /nfs/dbraw/zinc/58/30/04/409583004.db2.gz LDAJXZMQDQYSIW-OPRDCNLKSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](C)[NH3+] 306687174 409583009 /nfs/dbraw/zinc/58/30/09/409583009.db2.gz LDAJXZMQDQYSIW-OPRDCNLKSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](C)[NH3+] 306687172 409583490 /nfs/dbraw/zinc/58/34/90/409583490.db2.gz LDAJXZMQDQYSIW-KXUCPTDWSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](C)[NH3+] 306687172 409583492 /nfs/dbraw/zinc/58/34/92/409583492.db2.gz LDAJXZMQDQYSIW-KXUCPTDWSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](C)[NH3+] 306687171 409583892 /nfs/dbraw/zinc/58/38/92/409583892.db2.gz LDAJXZMQDQYSIW-IVZWLZJFSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](C)[NH3+] 306687171 409583898 /nfs/dbraw/zinc/58/38/98/409583898.db2.gz LDAJXZMQDQYSIW-IVZWLZJFSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](C)[NH3+] 306687173 409584120 /nfs/dbraw/zinc/58/41/20/409584120.db2.gz LDAJXZMQDQYSIW-LPEHRKFASA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](C)[NH3+] 306687173 409584127 /nfs/dbraw/zinc/58/41/27/409584127.db2.gz LDAJXZMQDQYSIW-LPEHRKFASA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](C)[NH3+] 306856570 409599036 /nfs/dbraw/zinc/59/90/36/409599036.db2.gz XEIOACLVSAIRHW-KXUCPTDWSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](C)[NH3+] 306856570 409599043 /nfs/dbraw/zinc/59/90/43/409599043.db2.gz XEIOACLVSAIRHW-KXUCPTDWSA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](C)[NH3+] 306856571 409599163 /nfs/dbraw/zinc/59/91/63/409599163.db2.gz XEIOACLVSAIRHW-LPEHRKFASA-N 2 2 170.300 1.454 20 0 ADADLP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](C)[NH3+] 306856571 409599170 /nfs/dbraw/zinc/59/91/70/409599170.db2.gz XEIOACLVSAIRHW-LPEHRKFASA-N 2 2 170.300 1.454 20 0 ADADLP c1[nH+]cn2c1C[N@H+](CCC1CC1)CC2 660579569 409605032 /nfs/dbraw/zinc/60/50/32/409605032.db2.gz YANBGBKLIUFJPU-UHFFFAOYSA-N 2 2 191.278 1.499 20 0 ADADLP c1[nH+]cn2c1C[N@@H+](CCC1CC1)CC2 660579569 409605037 /nfs/dbraw/zinc/60/50/37/409605037.db2.gz YANBGBKLIUFJPU-UHFFFAOYSA-N 2 2 191.278 1.499 20 0 ADADLP CC[C@@H](C)[N@@H+]1CCn2c[nH+]cc2C1 660581807 409605085 /nfs/dbraw/zinc/60/50/85/409605085.db2.gz JZHMDVCQSYTQHI-SECBINFHSA-N 2 2 179.267 1.497 20 0 ADADLP CC[C@@H](C)[N@H+]1CCn2c[nH+]cc2C1 660581807 409605091 /nfs/dbraw/zinc/60/50/91/409605091.db2.gz JZHMDVCQSYTQHI-SECBINFHSA-N 2 2 179.267 1.497 20 0 ADADLP CC[C@H](C)[N@@H+]1CCn2c[nH+]cc2C1 660581808 409605353 /nfs/dbraw/zinc/60/53/53/409605353.db2.gz JZHMDVCQSYTQHI-VIFPVBQESA-N 2 2 179.267 1.497 20 0 ADADLP CC[C@H](C)[N@H+]1CCn2c[nH+]cc2C1 660581808 409605357 /nfs/dbraw/zinc/60/53/57/409605357.db2.gz JZHMDVCQSYTQHI-VIFPVBQESA-N 2 2 179.267 1.497 20 0 ADADLP c1[nH+]cn2c1C[N@H+](CC1CCC1)CC2 660576634 409605543 /nfs/dbraw/zinc/60/55/43/409605543.db2.gz BGDHLBNRUVKAEE-UHFFFAOYSA-N 2 2 191.278 1.499 20 0 ADADLP c1[nH+]cn2c1C[N@@H+](CC1CCC1)CC2 660576634 409605546 /nfs/dbraw/zinc/60/55/46/409605546.db2.gz BGDHLBNRUVKAEE-UHFFFAOYSA-N 2 2 191.278 1.499 20 0 ADADLP c1[nH+]cn2c1C[N@H+](C1CCCC1)CC2 660582328 409609735 /nfs/dbraw/zinc/60/97/35/409609735.db2.gz RNDLPMXTPXSZBZ-UHFFFAOYSA-N 2 2 191.278 1.641 20 0 ADADLP c1[nH+]cn2c1C[N@@H+](C1CCCC1)CC2 660582328 409609737 /nfs/dbraw/zinc/60/97/37/409609737.db2.gz RNDLPMXTPXSZBZ-UHFFFAOYSA-N 2 2 191.278 1.641 20 0 ADADLP C[NH+](C)CC(C)(C)[NH2+]CC1CC=CC1 660762446 409617084 /nfs/dbraw/zinc/61/70/84/409617084.db2.gz AMWPXRWEGPKXGA-UHFFFAOYSA-N 2 2 196.338 1.882 20 0 ADADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]1C 307150784 409620319 /nfs/dbraw/zinc/62/03/19/409620319.db2.gz UNSPQARAOIXTQZ-YFKTTZPYSA-N 2 2 196.338 1.844 20 0 ADADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]1C 307150783 409620039 /nfs/dbraw/zinc/62/00/39/409620039.db2.gz UNSPQARAOIXTQZ-RHYQMDGZSA-N 2 2 196.338 1.844 20 0 ADADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1C 307150783 409620047 /nfs/dbraw/zinc/62/00/47/409620047.db2.gz UNSPQARAOIXTQZ-RHYQMDGZSA-N 2 2 196.338 1.844 20 0 ADADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]1C 307150784 409620315 /nfs/dbraw/zinc/62/03/15/409620315.db2.gz UNSPQARAOIXTQZ-YFKTTZPYSA-N 2 2 196.338 1.844 20 0 ADADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@H]1C 307150782 409620397 /nfs/dbraw/zinc/62/03/97/409620397.db2.gz UNSPQARAOIXTQZ-KXNHARMFSA-N 2 2 196.338 1.844 20 0 ADADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1C[C@H]1C 307150782 409620403 /nfs/dbraw/zinc/62/04/03/409620403.db2.gz UNSPQARAOIXTQZ-KXNHARMFSA-N 2 2 196.338 1.844 20 0 ADADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]1C 307150781 409620479 /nfs/dbraw/zinc/62/04/79/409620479.db2.gz UNSPQARAOIXTQZ-BJDJZHNGSA-N 2 2 196.338 1.844 20 0 ADADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@H]1C 307150781 409620489 /nfs/dbraw/zinc/62/04/89/409620489.db2.gz UNSPQARAOIXTQZ-BJDJZHNGSA-N 2 2 196.338 1.844 20 0 ADADLP Cc1[nH+]cn(C[C@H]2CCC[N@H+]2C)c1C 307435951 409645421 /nfs/dbraw/zinc/64/54/21/409645421.db2.gz OQMYXKWTXCDSQK-LLVKDONJSA-N 2 2 193.294 1.594 20 0 ADADLP Cc1[nH+]cn(C[C@H]2CCC[N@@H+]2C)c1C 307435951 409645426 /nfs/dbraw/zinc/64/54/26/409645426.db2.gz OQMYXKWTXCDSQK-LLVKDONJSA-N 2 2 193.294 1.594 20 0 ADADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CC[C@H]2C[C@H]2C1 661967004 409672267 /nfs/dbraw/zinc/67/22/67/409672267.db2.gz NBEWYCJPYHFJTA-SDDRHHMPSA-N 2 2 194.322 1.422 20 0 ADADLP C[N@H+]1CCC[C@@H]1C[NH+]1CC[C@H]2C[C@H]2C1 661967004 409672277 /nfs/dbraw/zinc/67/22/77/409672277.db2.gz NBEWYCJPYHFJTA-SDDRHHMPSA-N 2 2 194.322 1.422 20 0 ADADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CC[C@H]2C[C@H]2C1 661967004 409672279 /nfs/dbraw/zinc/67/22/79/409672279.db2.gz NBEWYCJPYHFJTA-SDDRHHMPSA-N 2 2 194.322 1.422 20 0 ADADLP C[NH+]1CCC[C@@H]1C[N@H+]1CC[C@H]2C[C@H]2C1 661967004 409672288 /nfs/dbraw/zinc/67/22/88/409672288.db2.gz NBEWYCJPYHFJTA-SDDRHHMPSA-N 2 2 194.322 1.422 20 0 ADADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CC[C@@H]2C[C@@H]2C1 661967002 409672450 /nfs/dbraw/zinc/67/24/50/409672450.db2.gz NBEWYCJPYHFJTA-IJLUTSLNSA-N 2 2 194.322 1.422 20 0 ADADLP C[N@H+]1CCC[C@@H]1C[NH+]1CC[C@@H]2C[C@@H]2C1 661967002 409672454 /nfs/dbraw/zinc/67/24/54/409672454.db2.gz NBEWYCJPYHFJTA-IJLUTSLNSA-N 2 2 194.322 1.422 20 0 ADADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 661967002 409672458 /nfs/dbraw/zinc/67/24/58/409672458.db2.gz NBEWYCJPYHFJTA-IJLUTSLNSA-N 2 2 194.322 1.422 20 0 ADADLP C[NH+]1CCC[C@@H]1C[N@H+]1CC[C@@H]2C[C@@H]2C1 661967002 409672462 /nfs/dbraw/zinc/67/24/62/409672462.db2.gz NBEWYCJPYHFJTA-IJLUTSLNSA-N 2 2 194.322 1.422 20 0 ADADLP c1cn(CC[N@@H+]2CC[C@H]3C[C@H]3C2)c[nH+]1 661972313 409676494 /nfs/dbraw/zinc/67/64/94/409676494.db2.gz PMJMPTYKFGELPY-QWRGUYRKSA-N 2 2 191.278 1.225 20 0 ADADLP c1cn(CC[N@H+]2CC[C@H]3C[C@H]3C2)c[nH+]1 661972313 409676500 /nfs/dbraw/zinc/67/65/00/409676500.db2.gz PMJMPTYKFGELPY-QWRGUYRKSA-N 2 2 191.278 1.225 20 0 ADADLP c1cn(CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 661972310 409676678 /nfs/dbraw/zinc/67/66/78/409676678.db2.gz PMJMPTYKFGELPY-GHMZBOCLSA-N 2 2 191.278 1.225 20 0 ADADLP c1cn(CC[N@H+]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 661972310 409676683 /nfs/dbraw/zinc/67/66/83/409676683.db2.gz PMJMPTYKFGELPY-GHMZBOCLSA-N 2 2 191.278 1.225 20 0 ADADLP Cn1c[nH+]cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 661976804 409677826 /nfs/dbraw/zinc/67/78/26/409677826.db2.gz VARJBLCWHFPFII-NXEZZACHSA-N 2 2 191.278 1.262 20 0 ADADLP Cn1c[nH+]cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 661976804 409677834 /nfs/dbraw/zinc/67/78/34/409677834.db2.gz VARJBLCWHFPFII-NXEZZACHSA-N 2 2 191.278 1.262 20 0 ADADLP c1[nH]c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 661972871 409678153 /nfs/dbraw/zinc/67/81/53/409678153.db2.gz QUNVRFVZOGJDAM-RKDXNWHRSA-N 2 2 177.251 1.252 20 0 ADADLP c1[nH]c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 661972871 409678167 /nfs/dbraw/zinc/67/81/67/409678167.db2.gz QUNVRFVZOGJDAM-RKDXNWHRSA-N 2 2 177.251 1.252 20 0 ADADLP c1[nH]c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c[nH+]1 661972870 409678276 /nfs/dbraw/zinc/67/82/76/409678276.db2.gz QUNVRFVZOGJDAM-IUCAKERBSA-N 2 2 177.251 1.252 20 0 ADADLP c1[nH]c(C[N@H+]2CC[C@H]3C[C@H]3C2)c[nH+]1 661972870 409678281 /nfs/dbraw/zinc/67/82/81/409678281.db2.gz QUNVRFVZOGJDAM-IUCAKERBSA-N 2 2 177.251 1.252 20 0 ADADLP Cn1c[nH+]cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 661976805 409678402 /nfs/dbraw/zinc/67/84/02/409678402.db2.gz VARJBLCWHFPFII-UWVGGRQHSA-N 2 2 191.278 1.262 20 0 ADADLP Cn1c[nH+]cc1C[N@H+]1CC[C@H]2C[C@H]2C1 661976805 409678410 /nfs/dbraw/zinc/67/84/10/409678410.db2.gz VARJBLCWHFPFII-UWVGGRQHSA-N 2 2 191.278 1.262 20 0 ADADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H]1C)[NH+](C)C 308066524 409679846 /nfs/dbraw/zinc/67/98/46/409679846.db2.gz YVTJLCZRKNVJCV-UTLUCORTSA-N 2 2 170.300 1.182 20 0 ADADLP C[C@@H](C[NH2+]CC1(C)CC1)[NH+](C)C 308028427 409680582 /nfs/dbraw/zinc/68/05/82/409680582.db2.gz IAJJDLDDHSYVAZ-VIFPVBQESA-N 2 2 170.300 1.326 20 0 ADADLP C[C@@H](C[NH2+]C[C@H]1C[C@H]1C)[NH+](C)C 308066522 409681076 /nfs/dbraw/zinc/68/10/76/409681076.db2.gz YVTJLCZRKNVJCV-KXUCPTDWSA-N 2 2 170.300 1.182 20 0 ADADLP C[NH2+][C@@H]1CC[N@H+](CCCCCF)C1 308143804 409686936 /nfs/dbraw/zinc/68/69/36/409686936.db2.gz MRCAJADZGGSLCZ-SNVBAGLBSA-N 2 2 188.290 1.420 20 0 ADADLP C[NH2+][C@@H]1CC[N@@H+](CCCCCF)C1 308143804 409686943 /nfs/dbraw/zinc/68/69/43/409686943.db2.gz MRCAJADZGGSLCZ-SNVBAGLBSA-N 2 2 188.290 1.420 20 0 ADADLP C[NH2+][C@H]1CC[N@H+](CCCCCF)C1 308143803 409689680 /nfs/dbraw/zinc/68/96/80/409689680.db2.gz MRCAJADZGGSLCZ-JTQLQIEISA-N 2 2 188.290 1.420 20 0 ADADLP C[NH2+][C@H]1CC[N@@H+](CCCCCF)C1 308143803 409689690 /nfs/dbraw/zinc/68/96/90/409689690.db2.gz MRCAJADZGGSLCZ-JTQLQIEISA-N 2 2 188.290 1.420 20 0 ADADLP C[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCC1 308223710 409698699 /nfs/dbraw/zinc/69/86/99/409698699.db2.gz DCZFMUIKFHTLPT-UWVGGRQHSA-N 2 2 184.327 1.715 20 0 ADADLP C[C@@H](C[NH2+][C@H](C)C1CCC1)[NH+](C)C 308223711 409699140 /nfs/dbraw/zinc/69/91/40/409699140.db2.gz DCZFMUIKFHTLPT-VHSXEESVSA-N 2 2 184.327 1.715 20 0 ADADLP CCc1nocc1C[N@H+](C)CCC[NH3+] 662243967 409700630 /nfs/dbraw/zinc/70/06/30/409700630.db2.gz FABDUIJBIMYABB-UHFFFAOYSA-N 2 2 197.282 1.018 20 0 ADADLP CCc1nocc1C[N@@H+](C)CCC[NH3+] 662243967 409700640 /nfs/dbraw/zinc/70/06/40/409700640.db2.gz FABDUIJBIMYABB-UHFFFAOYSA-N 2 2 197.282 1.018 20 0 ADADLP C[NH2+]C[C@H]1CCC[N@@H+]1CC1CC=CC1 662243386 409701100 /nfs/dbraw/zinc/70/11/00/409701100.db2.gz CRLFNOJSUAWDNE-GFCCVEGCSA-N 2 2 194.322 1.636 20 0 ADADLP C[NH2+]C[C@H]1CCC[N@H+]1CC1CC=CC1 662243386 409701107 /nfs/dbraw/zinc/70/11/07/409701107.db2.gz CRLFNOJSUAWDNE-GFCCVEGCSA-N 2 2 194.322 1.636 20 0 ADADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CC=CC1 662243387 409701839 /nfs/dbraw/zinc/70/18/39/409701839.db2.gz CRLFNOJSUAWDNE-LBPRGKRZSA-N 2 2 194.322 1.636 20 0 ADADLP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CC=CC1 662243387 409701846 /nfs/dbraw/zinc/70/18/46/409701846.db2.gz CRLFNOJSUAWDNE-LBPRGKRZSA-N 2 2 194.322 1.636 20 0 ADADLP C[NH2+][C@H]1CC[N@H+](CCCC2CCC2)C1 662241017 409702031 /nfs/dbraw/zinc/70/20/31/409702031.db2.gz PCORWGJIOIIGFF-LBPRGKRZSA-N 2 2 196.338 1.860 20 0 ADADLP C[NH2+][C@H]1CC[N@@H+](CCCC2CCC2)C1 662241017 409702039 /nfs/dbraw/zinc/70/20/39/409702039.db2.gz PCORWGJIOIIGFF-LBPRGKRZSA-N 2 2 196.338 1.860 20 0 ADADLP C[NH2+][C@@H]1CC[N@H+](CCCC2CCC2)C1 662241016 409703231 /nfs/dbraw/zinc/70/32/31/409703231.db2.gz PCORWGJIOIIGFF-GFCCVEGCSA-N 2 2 196.338 1.860 20 0 ADADLP C[NH2+][C@@H]1CC[N@@H+](CCCC2CCC2)C1 662241016 409703236 /nfs/dbraw/zinc/70/32/36/409703236.db2.gz PCORWGJIOIIGFF-GFCCVEGCSA-N 2 2 196.338 1.860 20 0 ADADLP CC[NH+]1CCC([NH2+][C@@H](C)CF)CC1 308246856 409703884 /nfs/dbraw/zinc/70/38/84/409703884.db2.gz WQWPAAUUPCBMQU-VIFPVBQESA-N 2 2 188.290 1.418 20 0 ADADLP C[C@@H](C[NH2+]C1CC(C)(C)C1)[NH+](C)C 308266347 409704244 /nfs/dbraw/zinc/70/42/44/409704244.db2.gz QBSFPYKBCQSBEE-VIFPVBQESA-N 2 2 184.327 1.715 20 0 ADADLP C[NH2+][C@@H]1CCC[N@H+](CC2CC=CC2)C1 662246762 409705772 /nfs/dbraw/zinc/70/57/72/409705772.db2.gz RJQRMRCQUAJQCP-GFCCVEGCSA-N 2 2 194.322 1.636 20 0 ADADLP C[NH2+][C@@H]1CCC[N@@H+](CC2CC=CC2)C1 662246762 409705776 /nfs/dbraw/zinc/70/57/76/409705776.db2.gz RJQRMRCQUAJQCP-GFCCVEGCSA-N 2 2 194.322 1.636 20 0 ADADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C 308285256 409706935 /nfs/dbraw/zinc/70/69/35/409706935.db2.gz BOIWBKDKBSUYRX-AXFHLTTASA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[NH+](C)C 308285258 409707221 /nfs/dbraw/zinc/70/72/21/409707221.db2.gz BOIWBKDKBSUYRX-HBNTYKKESA-N 2 2 184.327 1.715 20 0 ADADLP C[NH2+][C@H]1CCC[N@H+](CC2CC=CC2)C1 662246763 409708030 /nfs/dbraw/zinc/70/80/30/409708030.db2.gz RJQRMRCQUAJQCP-LBPRGKRZSA-N 2 2 194.322 1.636 20 0 ADADLP C[NH2+][C@H]1CCC[N@@H+](CC2CC=CC2)C1 662246763 409708034 /nfs/dbraw/zinc/70/80/34/409708034.db2.gz RJQRMRCQUAJQCP-LBPRGKRZSA-N 2 2 194.322 1.636 20 0 ADADLP C[N@H+](CC1CC=CC1)CC(C)(C)[NH3+] 662295336 409712552 /nfs/dbraw/zinc/71/25/52/409712552.db2.gz QGEACJNIERQNKH-UHFFFAOYSA-N 2 2 182.311 1.622 20 0 ADADLP C[N@@H+](CC1CC=CC1)CC(C)(C)[NH3+] 662295336 409712554 /nfs/dbraw/zinc/71/25/54/409712554.db2.gz QGEACJNIERQNKH-UHFFFAOYSA-N 2 2 182.311 1.622 20 0 ADADLP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](C)[NH3+] 662320682 409716964 /nfs/dbraw/zinc/71/69/64/409716964.db2.gz VVWJRYPCOUUDCL-GARJFASQSA-N 2 2 184.327 1.987 20 0 ADADLP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](C)[NH3+] 662320682 409716967 /nfs/dbraw/zinc/71/69/67/409716967.db2.gz VVWJRYPCOUUDCL-GARJFASQSA-N 2 2 184.327 1.987 20 0 ADADLP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](C)[NH3+] 662320689 409717888 /nfs/dbraw/zinc/71/78/88/409717888.db2.gz VVWJRYPCOUUDCL-OUAUKWLOSA-N 2 2 184.327 1.987 20 0 ADADLP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](C)[NH3+] 662320689 409717893 /nfs/dbraw/zinc/71/78/93/409717893.db2.gz VVWJRYPCOUUDCL-OUAUKWLOSA-N 2 2 184.327 1.987 20 0 ADADLP CC[N@H+](CC(C)(C)[NH3+])C1CCC1 308430093 409721851 /nfs/dbraw/zinc/72/18/51/409721851.db2.gz ZEQKJBGNASRHIR-UHFFFAOYSA-N 2 2 170.300 1.598 20 0 ADADLP CC[N@@H+](CC(C)(C)[NH3+])C1CCC1 308430093 409721856 /nfs/dbraw/zinc/72/18/56/409721856.db2.gz ZEQKJBGNASRHIR-UHFFFAOYSA-N 2 2 170.300 1.598 20 0 ADADLP C[C@@H](C[NH2+]Cc1ccco1)C[NH+](C)C 308579210 409735721 /nfs/dbraw/zinc/73/57/21/409735721.db2.gz OFKKUHNAUVPOPW-JTQLQIEISA-N 2 2 196.294 1.567 20 0 ADADLP C[C@H](CNc1cccc[nH+]1)C[NH+](C)C 308575893 409736263 /nfs/dbraw/zinc/73/62/63/409736263.db2.gz MPWRMQJOJGSEJS-SNVBAGLBSA-N 2 2 193.294 1.691 20 0 ADADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccn1 308560003 409736350 /nfs/dbraw/zinc/73/63/50/409736350.db2.gz WTUFXNDLPXBNIP-VIFPVBQESA-N 2 2 193.294 1.470 20 0 ADADLP C[C@@H](CNc1cccc[nH+]1)C[NH+](C)C 308575891 409736435 /nfs/dbraw/zinc/73/64/35/409736435.db2.gz MPWRMQJOJGSEJS-JTQLQIEISA-N 2 2 193.294 1.691 20 0 ADADLP C[C@H](C[NH2+]Cc1ccco1)C[NH+](C)C 308579212 409737706 /nfs/dbraw/zinc/73/77/06/409737706.db2.gz OFKKUHNAUVPOPW-SNVBAGLBSA-N 2 2 196.294 1.567 20 0 ADADLP CC[C@@H](C)C[NH2+]C(C)(C)C[NH+](C)C 308611620 409739254 /nfs/dbraw/zinc/73/92/54/409739254.db2.gz CGZOEGIPYQZHPT-SNVBAGLBSA-N 2 2 186.343 1.962 20 0 ADADLP CC(C)CC[NH2+]C(C)(C)C[NH+](C)C 308610118 409739323 /nfs/dbraw/zinc/73/93/23/409739323.db2.gz WSHPMZHPFHUCDW-UHFFFAOYSA-N 2 2 186.343 1.962 20 0 ADADLP C[NH+](C)CC(C)(C)[NH2+]CC1CC1 308609862 409739561 /nfs/dbraw/zinc/73/95/61/409739561.db2.gz SVFLCXHMUFSSNJ-UHFFFAOYSA-N 2 2 170.300 1.326 20 0 ADADLP CC(C)C[NH2+]C(C)(C)C[NH+](C)C 308607089 409739846 /nfs/dbraw/zinc/73/98/46/409739846.db2.gz GVPUSPAZKYCIMS-UHFFFAOYSA-N 2 2 172.316 1.572 20 0 ADADLP CC[C@H](C)C[NH2+]C(C)(C)C[NH+](C)C 308611619 409740125 /nfs/dbraw/zinc/74/01/25/409740125.db2.gz CGZOEGIPYQZHPT-JTQLQIEISA-N 2 2 186.343 1.962 20 0 ADADLP CC(C)[N@@H+](C[C@H](C)[NH3+])C1CCCC1 308652672 409746605 /nfs/dbraw/zinc/74/66/05/409746605.db2.gz LTOFMHRJLMUWGC-JTQLQIEISA-N 2 2 184.327 1.987 20 0 ADADLP CC(C)[N@H+](C[C@H](C)[NH3+])C1CCCC1 308652672 409746611 /nfs/dbraw/zinc/74/66/11/409746611.db2.gz LTOFMHRJLMUWGC-JTQLQIEISA-N 2 2 184.327 1.987 20 0 ADADLP CC(C)[N@@H+](C[C@@H](C)[NH3+])C1CCCC1 308652673 409747691 /nfs/dbraw/zinc/74/76/91/409747691.db2.gz LTOFMHRJLMUWGC-SNVBAGLBSA-N 2 2 184.327 1.987 20 0 ADADLP CC(C)[N@H+](C[C@@H](C)[NH3+])C1CCCC1 308652673 409747697 /nfs/dbraw/zinc/74/76/97/409747697.db2.gz LTOFMHRJLMUWGC-SNVBAGLBSA-N 2 2 184.327 1.987 20 0 ADADLP CCC(CC)[N@H+](C[C@H](C)[NH3+])C1CC1 308663039 409750152 /nfs/dbraw/zinc/75/01/52/409750152.db2.gz RBNQPAFUUQJORY-VIFPVBQESA-N 2 2 184.327 1.987 20 0 ADADLP CCC(CC)[N@@H+](C[C@H](C)[NH3+])C1CC1 308663039 409750159 /nfs/dbraw/zinc/75/01/59/409750159.db2.gz RBNQPAFUUQJORY-VIFPVBQESA-N 2 2 184.327 1.987 20 0 ADADLP CCC(CC)[N@H+](C[C@@H](C)[NH3+])C1CC1 308663037 409751525 /nfs/dbraw/zinc/75/15/25/409751525.db2.gz RBNQPAFUUQJORY-SECBINFHSA-N 2 2 184.327 1.987 20 0 ADADLP CCC(CC)[N@@H+](C[C@@H](C)[NH3+])C1CC1 308663037 409751534 /nfs/dbraw/zinc/75/15/34/409751534.db2.gz RBNQPAFUUQJORY-SECBINFHSA-N 2 2 184.327 1.987 20 0 ADADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccno1 308831466 409753027 /nfs/dbraw/zinc/75/30/27/409753027.db2.gz JPKCVKHVSLANJG-SNVBAGLBSA-N 2 2 197.282 1.138 20 0 ADADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(N)c1 308845079 409754031 /nfs/dbraw/zinc/75/40/31/409754031.db2.gz LWZOELRHNCAKTO-VIFPVBQESA-N 2 2 193.294 1.048 20 0 ADADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(N)c1 308845079 409754034 /nfs/dbraw/zinc/75/40/34/409754034.db2.gz LWZOELRHNCAKTO-VIFPVBQESA-N 2 2 193.294 1.048 20 0 ADADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(N)c1 308845077 409754263 /nfs/dbraw/zinc/75/42/63/409754263.db2.gz LWZOELRHNCAKTO-SECBINFHSA-N 2 2 193.294 1.048 20 0 ADADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(N)c1 308845077 409754268 /nfs/dbraw/zinc/75/42/68/409754268.db2.gz LWZOELRHNCAKTO-SECBINFHSA-N 2 2 193.294 1.048 20 0 ADADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccno1 308831463 409754480 /nfs/dbraw/zinc/75/44/80/409754480.db2.gz JPKCVKHVSLANJG-JTQLQIEISA-N 2 2 197.282 1.138 20 0 ADADLP C[N@H+](CC(C)(C)[NH3+])C(C1CC1)C1CC1 309100590 409767807 /nfs/dbraw/zinc/76/78/07/409767807.db2.gz FMDYHNWFXSPSMG-UHFFFAOYSA-N 2 2 196.338 1.844 20 0 ADADLP C[N@@H+](CC(C)(C)[NH3+])C(C1CC1)C1CC1 309100590 409767819 /nfs/dbraw/zinc/76/78/19/409767819.db2.gz FMDYHNWFXSPSMG-UHFFFAOYSA-N 2 2 196.338 1.844 20 0 ADADLP C[N@H+](Cc1ccon1)CC(C)(C)C[NH3+] 309136361 409771116 /nfs/dbraw/zinc/77/11/16/409771116.db2.gz SDTOZRRZCLPEHU-UHFFFAOYSA-N 2 2 197.282 1.091 20 0 ADADLP C[N@@H+](Cc1ccon1)CC(C)(C)C[NH3+] 309136361 409771123 /nfs/dbraw/zinc/77/11/23/409771123.db2.gz SDTOZRRZCLPEHU-UHFFFAOYSA-N 2 2 197.282 1.091 20 0 ADADLP Cn1c[nH+]cc1CCC[NH+]1CCCC1 314181694 409782314 /nfs/dbraw/zinc/78/23/14/409782314.db2.gz QDQGGEVQWZSVEI-UHFFFAOYSA-N 2 2 193.294 1.449 20 0 ADADLP Cn1c[nH+]cc1CCCn1cc[nH+]c1 314020657 409783098 /nfs/dbraw/zinc/78/30/98/409783098.db2.gz ISQAPIBKKUDGEM-UHFFFAOYSA-N 2 2 190.250 1.249 20 0 ADADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]2C[C@H]2C1 663499652 409784992 /nfs/dbraw/zinc/78/49/92/409784992.db2.gz FMFKPCITLPIVDH-QWRGUYRKSA-N 2 2 196.338 1.716 20 0 ADADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]2C[C@H]2C1 663499652 409785001 /nfs/dbraw/zinc/78/50/01/409785001.db2.gz FMFKPCITLPIVDH-QWRGUYRKSA-N 2 2 196.338 1.716 20 0 ADADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 663499650 409785199 /nfs/dbraw/zinc/78/51/99/409785199.db2.gz FMFKPCITLPIVDH-GHMZBOCLSA-N 2 2 196.338 1.716 20 0 ADADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]2C[C@@H]2C1 663499650 409785208 /nfs/dbraw/zinc/78/52/08/409785208.db2.gz FMFKPCITLPIVDH-GHMZBOCLSA-N 2 2 196.338 1.716 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cnccc1C 663513479 409788796 /nfs/dbraw/zinc/78/87/96/409788796.db2.gz KRSOKNSBFBALNJ-SNVBAGLBSA-N 2 2 193.294 1.088 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(O)c1 663507675 409789723 /nfs/dbraw/zinc/78/97/23/409789723.db2.gz UQZCXEWUUFZZSD-SECBINFHSA-N 2 2 194.278 1.090 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1cnccc1C 663513477 409789741 /nfs/dbraw/zinc/78/97/41/409789741.db2.gz KRSOKNSBFBALNJ-JTQLQIEISA-N 2 2 193.294 1.088 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(O)c1 663507676 409790166 /nfs/dbraw/zinc/79/01/66/409790166.db2.gz UQZCXEWUUFZZSD-VIFPVBQESA-N 2 2 194.278 1.090 20 0 ADADLP C[N@H+](C[C@H]1CC1(C)C)CC(C)(C)[NH3+] 663514858 409792013 /nfs/dbraw/zinc/79/20/13/409792013.db2.gz UYGLDMCLYXGEKO-SECBINFHSA-N 2 2 184.327 1.702 20 0 ADADLP C[N@@H+](C[C@H]1CC1(C)C)CC(C)(C)[NH3+] 663514858 409792019 /nfs/dbraw/zinc/79/20/19/409792019.db2.gz UYGLDMCLYXGEKO-SECBINFHSA-N 2 2 184.327 1.702 20 0 ADADLP C[N@H+](C[C@@H]1CC1(C)C)CC(C)(C)[NH3+] 663514859 409794284 /nfs/dbraw/zinc/79/42/84/409794284.db2.gz UYGLDMCLYXGEKO-VIFPVBQESA-N 2 2 184.327 1.702 20 0 ADADLP C[N@@H+](C[C@@H]1CC1(C)C)CC(C)(C)[NH3+] 663514859 409794294 /nfs/dbraw/zinc/79/42/94/409794294.db2.gz UYGLDMCLYXGEKO-VIFPVBQESA-N 2 2 184.327 1.702 20 0 ADADLP Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])s1 379368536 409835178 /nfs/dbraw/zinc/83/51/78/409835178.db2.gz OEKZVXRVPJNRQS-QMMMGPOBSA-N 2 2 198.335 1.836 20 0 ADADLP C[C@@H](CCNc1cccc[nH+]1)[NH+](C)C 664247914 409825694 /nfs/dbraw/zinc/82/56/94/409825694.db2.gz UVXPZXOFEVPOLN-JTQLQIEISA-N 2 2 193.294 1.834 20 0 ADADLP C[C@H](CCNc1cccc[nH+]1)[NH+](C)C 664247918 409825914 /nfs/dbraw/zinc/82/59/14/409825914.db2.gz UVXPZXOFEVPOLN-SNVBAGLBSA-N 2 2 193.294 1.834 20 0 ADADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccco1 379345394 409829809 /nfs/dbraw/zinc/82/98/09/409829809.db2.gz SSAYXKAKIISRFP-QMMMGPOBSA-N 2 2 182.267 1.668 20 0 ADADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccco1 379345393 409830102 /nfs/dbraw/zinc/83/01/02/409830102.db2.gz SSAYXKAKIISRFP-MRVPVSSYSA-N 2 2 182.267 1.668 20 0 ADADLP CC[N@H+](C[C@@H](C)[NH3+])[C@@H](C)C(C)C 379359344 409831705 /nfs/dbraw/zinc/83/17/05/409831705.db2.gz YEGWWMINFLROTB-ZJUUUORDSA-N 2 2 172.316 1.700 20 0 ADADLP CC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)C(C)C 379359344 409831714 /nfs/dbraw/zinc/83/17/14/409831714.db2.gz YEGWWMINFLROTB-ZJUUUORDSA-N 2 2 172.316 1.700 20 0 ADADLP CC[N@H+](C[C@H](C)[NH3+])[C@H](C)C(C)C 379359343 409832216 /nfs/dbraw/zinc/83/22/16/409832216.db2.gz YEGWWMINFLROTB-VHSXEESVSA-N 2 2 172.316 1.700 20 0 ADADLP CC[N@@H+](C[C@H](C)[NH3+])[C@H](C)C(C)C 379359343 409832222 /nfs/dbraw/zinc/83/22/22/409832222.db2.gz YEGWWMINFLROTB-VHSXEESVSA-N 2 2 172.316 1.700 20 0 ADADLP CC[N@H+](C[C@H](C)[NH3+])[C@@H](C)C(C)C 379359342 409833125 /nfs/dbraw/zinc/83/31/25/409833125.db2.gz YEGWWMINFLROTB-UWVGGRQHSA-N 2 2 172.316 1.700 20 0 ADADLP CC[N@@H+](C[C@H](C)[NH3+])[C@@H](C)C(C)C 379359342 409833130 /nfs/dbraw/zinc/83/31/30/409833130.db2.gz YEGWWMINFLROTB-UWVGGRQHSA-N 2 2 172.316 1.700 20 0 ADADLP CC[N@H+](C[C@@H](C)[NH3+])[C@H](C)C(C)C 379359341 409833307 /nfs/dbraw/zinc/83/33/07/409833307.db2.gz YEGWWMINFLROTB-NXEZZACHSA-N 2 2 172.316 1.700 20 0 ADADLP CC[N@@H+](C[C@@H](C)[NH3+])[C@H](C)C(C)C 379359341 409833314 /nfs/dbraw/zinc/83/33/14/409833314.db2.gz YEGWWMINFLROTB-NXEZZACHSA-N 2 2 172.316 1.700 20 0 ADADLP Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])s1 379368536 409835186 /nfs/dbraw/zinc/83/51/86/409835186.db2.gz OEKZVXRVPJNRQS-QMMMGPOBSA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])s1 379368535 409835290 /nfs/dbraw/zinc/83/52/90/409835290.db2.gz OEKZVXRVPJNRQS-MRVPVSSYSA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])s1 379368535 409835296 /nfs/dbraw/zinc/83/52/96/409835296.db2.gz OEKZVXRVPJNRQS-MRVPVSSYSA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])o1 379501733 409845451 /nfs/dbraw/zinc/84/54/51/409845451.db2.gz JXOUKKLUINXKEO-SECBINFHSA-N 2 2 196.294 1.976 20 0 ADADLP Cc1noc(C)c1C[NH2+]CC(C)(C)[NH3+] 379420336 409846234 /nfs/dbraw/zinc/84/62/34/409846234.db2.gz KJOSPJXHQGOIHZ-UHFFFAOYSA-N 2 2 197.282 1.118 20 0 ADADLP Cc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])o1 379501738 409847056 /nfs/dbraw/zinc/84/70/56/409847056.db2.gz JXOUKKLUINXKEO-VIFPVBQESA-N 2 2 196.294 1.976 20 0 ADADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccn1 379510414 409849483 /nfs/dbraw/zinc/84/94/83/409849483.db2.gz WTUFXNDLPXBNIP-SECBINFHSA-N 2 2 193.294 1.470 20 0 ADADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1=CCCC1 665274282 409864526 /nfs/dbraw/zinc/86/45/26/409864526.db2.gz MWEXITJFIGZXBN-JQWIXIFHSA-N 2 2 194.322 1.684 20 0 ADADLP C[C@@H](C[NH2+][C@H]1CCC12CCC2)[NH+](C)C 379645514 409864576 /nfs/dbraw/zinc/86/45/76/409864576.db2.gz XVFABGJIKZTBOU-QWRGUYRKSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H](C[NH2+][C@@H]1CCC12CCC2)[NH+](C)C 379645516 409864827 /nfs/dbraw/zinc/86/48/27/409864827.db2.gz XVFABGJIKZTBOU-WDEREUQCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1=CCCC1 665274284 409866297 /nfs/dbraw/zinc/86/62/97/409866297.db2.gz MWEXITJFIGZXBN-ZYHUDNBSSA-N 2 2 194.322 1.684 20 0 ADADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1=CCCC1 665274281 409866415 /nfs/dbraw/zinc/86/64/15/409866415.db2.gz MWEXITJFIGZXBN-CMPLNLGQSA-N 2 2 194.322 1.684 20 0 ADADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1=CCCC1 665274283 409867074 /nfs/dbraw/zinc/86/70/74/409867074.db2.gz MWEXITJFIGZXBN-PWSUYJOCSA-N 2 2 194.322 1.684 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccccc1 665294898 409869063 /nfs/dbraw/zinc/86/90/63/409869063.db2.gz YKQSJHIOKPVPKU-MNOVXSKESA-N 2 2 192.306 1.945 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccccc1 665294897 409869183 /nfs/dbraw/zinc/86/91/83/409869183.db2.gz YKQSJHIOKPVPKU-GHMZBOCLSA-N 2 2 192.306 1.945 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccccc1 665294900 409869217 /nfs/dbraw/zinc/86/92/17/409869217.db2.gz YKQSJHIOKPVPKU-WDEREUQCSA-N 2 2 192.306 1.945 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccccc1 665294899 409870512 /nfs/dbraw/zinc/87/05/12/409870512.db2.gz YKQSJHIOKPVPKU-QWRGUYRKSA-N 2 2 192.306 1.945 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccnc1 665295598 409871940 /nfs/dbraw/zinc/87/19/40/409871940.db2.gz GKVANLLQBLGAAI-UWVGGRQHSA-N 2 2 193.294 1.340 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccnc1 665295597 409872382 /nfs/dbraw/zinc/87/23/82/409872382.db2.gz GKVANLLQBLGAAI-NXEZZACHSA-N 2 2 193.294 1.340 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccnc1 665295600 409872587 /nfs/dbraw/zinc/87/25/87/409872587.db2.gz GKVANLLQBLGAAI-ZJUUUORDSA-N 2 2 193.294 1.340 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccncc1 665295257 409872812 /nfs/dbraw/zinc/87/28/12/409872812.db2.gz AYLGTMYXBCOCSB-NXEZZACHSA-N 2 2 193.294 1.340 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccncc1 665295258 409872929 /nfs/dbraw/zinc/87/29/29/409872929.db2.gz AYLGTMYXBCOCSB-UWVGGRQHSA-N 2 2 193.294 1.340 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccnc1 665295599 409873915 /nfs/dbraw/zinc/87/39/15/409873915.db2.gz GKVANLLQBLGAAI-VHSXEESVSA-N 2 2 193.294 1.340 20 0 ADADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccncc1 665295259 409873767 /nfs/dbraw/zinc/87/37/67/409873767.db2.gz AYLGTMYXBCOCSB-VHSXEESVSA-N 2 2 193.294 1.340 20 0 ADADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccncc1 665295260 409873930 /nfs/dbraw/zinc/87/39/30/409873930.db2.gz AYLGTMYXBCOCSB-ZJUUUORDSA-N 2 2 193.294 1.340 20 0 ADADLP [NH3+]C1(C[NH2+]Cc2ccccn2)CCC1 381130867 409879560 /nfs/dbraw/zinc/87/95/60/409879560.db2.gz KQODQBWMQOGXOZ-UHFFFAOYSA-N 2 2 191.278 1.053 20 0 ADADLP Cc1cc([C@@H](C)[NH2+]CC[NH3+])cs1 381849100 409883777 /nfs/dbraw/zinc/88/37/77/409883777.db2.gz ZENMZIUTXQPTHG-MRVPVSSYSA-N 2 2 184.308 1.666 20 0 ADADLP Cc1cc([C@H](C)[NH2+]CC[NH3+])cs1 381849124 409885816 /nfs/dbraw/zinc/88/58/16/409885816.db2.gz ZENMZIUTXQPTHG-QMMMGPOBSA-N 2 2 184.308 1.666 20 0 ADADLP CC[C@@H]([NH2+]CC[NH3+])c1ccsc1 382073354 409887155 /nfs/dbraw/zinc/88/71/55/409887155.db2.gz CRCOJSBANOBMGT-SECBINFHSA-N 2 2 184.308 1.748 20 0 ADADLP CC[C@H]([NH2+]CC[NH3+])c1ccsc1 382073355 409888621 /nfs/dbraw/zinc/88/86/21/409888621.db2.gz CRCOJSBANOBMGT-VIFPVBQESA-N 2 2 184.308 1.748 20 0 ADADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[NH+](C)C 382315954 409899754 /nfs/dbraw/zinc/89/97/54/409899754.db2.gz ROBKTHHTGMSDMS-YFKTTZPYSA-N 2 2 196.338 1.715 20 0 ADADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[NH+](C)C 382315952 409900935 /nfs/dbraw/zinc/90/09/35/409900935.db2.gz ROBKTHHTGMSDMS-NNYUYHANSA-N 2 2 196.338 1.715 20 0 ADADLP Cc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])s1 382975256 409905514 /nfs/dbraw/zinc/90/55/14/409905514.db2.gz JODJDUFQVHQZEY-MRVPVSSYSA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccc(C[N@H+](C)[C@H](C)C[NH3+])s1 382975256 409905522 /nfs/dbraw/zinc/90/55/22/409905522.db2.gz JODJDUFQVHQZEY-MRVPVSSYSA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])s1 382975257 409906540 /nfs/dbraw/zinc/90/65/40/409906540.db2.gz JODJDUFQVHQZEY-QMMMGPOBSA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])s1 382975257 409906546 /nfs/dbraw/zinc/90/65/46/409906546.db2.gz JODJDUFQVHQZEY-QMMMGPOBSA-N 2 2 198.335 1.836 20 0 ADADLP Cc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cn1 383003719 409909695 /nfs/dbraw/zinc/90/96/95/409909695.db2.gz YHGSIXMXJZXDNT-JTQLQIEISA-N 2 2 193.294 1.169 20 0 ADADLP Cc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cn1 383003719 409909700 /nfs/dbraw/zinc/90/97/00/409909700.db2.gz YHGSIXMXJZXDNT-JTQLQIEISA-N 2 2 193.294 1.169 20 0 ADADLP Cc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cn1 383003720 409910740 /nfs/dbraw/zinc/91/07/40/409910740.db2.gz YHGSIXMXJZXDNT-SNVBAGLBSA-N 2 2 193.294 1.169 20 0 ADADLP Cc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cn1 383003720 409910746 /nfs/dbraw/zinc/91/07/46/409910746.db2.gz YHGSIXMXJZXDNT-SNVBAGLBSA-N 2 2 193.294 1.169 20 0 ADADLP C[C@@H]([N@H+](C)CC(C)(C)[NH3+])C1(C)CC1 385517032 409931346 /nfs/dbraw/zinc/93/13/46/409931346.db2.gz SCGSBLMQDRBJCF-SECBINFHSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1(C)CC1 385517032 409931350 /nfs/dbraw/zinc/93/13/50/409931350.db2.gz SCGSBLMQDRBJCF-SECBINFHSA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([N@H+](C)CC(C)(C)[NH3+])C1(C)CC1 385517033 409931537 /nfs/dbraw/zinc/93/15/37/409931537.db2.gz SCGSBLMQDRBJCF-VIFPVBQESA-N 2 2 184.327 1.844 20 0 ADADLP C[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1(C)CC1 385517033 409931541 /nfs/dbraw/zinc/93/15/41/409931541.db2.gz SCGSBLMQDRBJCF-VIFPVBQESA-N 2 2 184.327 1.844 20 0 ADADLP CC[N@H+](CCC1CC1)CC(C)(C)[NH3+] 385497725 409931945 /nfs/dbraw/zinc/93/19/45/409931945.db2.gz HWIUYLPIRYPEAY-UHFFFAOYSA-N 2 2 184.327 1.846 20 0 ADADLP CC[N@@H+](CCC1CC1)CC(C)(C)[NH3+] 385497725 409931947 /nfs/dbraw/zinc/93/19/47/409931947.db2.gz HWIUYLPIRYPEAY-UHFFFAOYSA-N 2 2 184.327 1.846 20 0 ADADLP C[C@@H]([NH2+]CCF)[C@H]1CCCC[NH2+]1 386457505 409937016 /nfs/dbraw/zinc/93/70/16/409937016.db2.gz OTPUZSPXQKNASF-RKDXNWHRSA-N 2 2 174.263 1.076 20 0 ADADLP C[C@@H]([NH2+]CCF)[C@@H]1CCCC[NH2+]1 386457208 409937126 /nfs/dbraw/zinc/93/71/26/409937126.db2.gz OTPUZSPXQKNASF-BDAKNGLRSA-N 2 2 174.263 1.076 20 0 ADADLP C[C@H]([NH2+]CCF)[C@@H]1CCCC[NH2+]1 386457503 409937157 /nfs/dbraw/zinc/93/71/57/409937157.db2.gz OTPUZSPXQKNASF-IUCAKERBSA-N 2 2 174.263 1.076 20 0 ADADLP C[C@H]([NH2+]CCF)[C@H]1CCCC[NH2+]1 386457210 409937760 /nfs/dbraw/zinc/93/77/60/409937760.db2.gz OTPUZSPXQKNASF-DTWKUNHWSA-N 2 2 174.263 1.076 20 0 ADADLP C[C@H]([NH3+])C[N@H+](C)C(C1CC1)C1CC1 388945145 409964989 /nfs/dbraw/zinc/96/49/89/409964989.db2.gz YHQHOVAUVYERKG-QMMMGPOBSA-N 2 2 182.311 1.454 20 0 ADADLP C[C@H]([NH3+])C[N@@H+](C)C(C1CC1)C1CC1 388945145 409964995 /nfs/dbraw/zinc/96/49/95/409964995.db2.gz YHQHOVAUVYERKG-QMMMGPOBSA-N 2 2 182.311 1.454 20 0 ADADLP C[C@@H]([NH3+])C[N@H+](C)C(C1CC1)C1CC1 388945144 409965185 /nfs/dbraw/zinc/96/51/85/409965185.db2.gz YHQHOVAUVYERKG-MRVPVSSYSA-N 2 2 182.311 1.454 20 0 ADADLP C[C@@H]([NH3+])C[N@@H+](C)C(C1CC1)C1CC1 388945144 409965192 /nfs/dbraw/zinc/96/51/92/409965192.db2.gz YHQHOVAUVYERKG-MRVPVSSYSA-N 2 2 182.311 1.454 20 0 ADADLP CCC[N@H+](C[C@@H]1C[C@H]1C)[C@@H]1CC[NH2+]C1 389952385 409973326 /nfs/dbraw/zinc/97/33/26/409973326.db2.gz SQCIXJACFIOTAK-GRYCIOLGSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@@H+](C[C@@H]1C[C@H]1C)[C@@H]1CC[NH2+]C1 389952385 409973333 /nfs/dbraw/zinc/97/33/33/409973333.db2.gz SQCIXJACFIOTAK-GRYCIOLGSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@H+](C[C@@H]1C[C@@H]1C)[C@@H]1CC[NH2+]C1 389952386 409974448 /nfs/dbraw/zinc/97/44/48/409974448.db2.gz SQCIXJACFIOTAK-SDDRHHMPSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@@H+](C[C@@H]1C[C@@H]1C)[C@@H]1CC[NH2+]C1 389952386 409974454 /nfs/dbraw/zinc/97/44/54/409974454.db2.gz SQCIXJACFIOTAK-SDDRHHMPSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@H+](C[C@@H]1C[C@@H]1C)[C@H]1CC[NH2+]C1 389952387 409974463 /nfs/dbraw/zinc/97/44/63/409974463.db2.gz SQCIXJACFIOTAK-SRVKXCTJSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@@H+](C[C@@H]1C[C@@H]1C)[C@H]1CC[NH2+]C1 389952387 409974466 /nfs/dbraw/zinc/97/44/66/409974466.db2.gz SQCIXJACFIOTAK-SRVKXCTJSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@H+](C[C@@H]1C[C@H]1C)[C@H]1CC[NH2+]C1 389952389 409975071 /nfs/dbraw/zinc/97/50/71/409975071.db2.gz SQCIXJACFIOTAK-WOPDTQHZSA-N 2 2 196.338 1.716 20 0 ADADLP CCC[N@@H+](C[C@@H]1C[C@H]1C)[C@H]1CC[NH2+]C1 389952389 409975078 /nfs/dbraw/zinc/97/50/78/409975078.db2.gz SQCIXJACFIOTAK-WOPDTQHZSA-N 2 2 196.338 1.716 20 0 ADADLP [NH3+]C1(C[NH2+]Cc2cccnc2)CCC1 390484097 409975835 /nfs/dbraw/zinc/97/58/35/409975835.db2.gz NYBNGDWFLGBUDY-UHFFFAOYSA-N 2 2 191.278 1.053 20 0 ADADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1CC(C)C 393438839 409980928 /nfs/dbraw/zinc/98/09/28/409980928.db2.gz WXSZQYSRFSPQKK-UWVGGRQHSA-N 2 2 188.290 1.274 20 0 ADADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1CC(C)C 393438839 409980924 /nfs/dbraw/zinc/98/09/24/409980924.db2.gz WXSZQYSRFSPQKK-UWVGGRQHSA-N 2 2 188.290 1.274 20 0 ADADLP Cc1ncccc1C[N@@H+](C)[C@@H](C)C[NH3+] 393681979 409991119 /nfs/dbraw/zinc/99/11/19/409991119.db2.gz FZXFBLMVSSHIFX-VIFPVBQESA-N 2 2 193.294 1.169 20 0 ADADLP Cc1ncccc1C[N@H+](C)[C@@H](C)C[NH3+] 393681979 409991128 /nfs/dbraw/zinc/99/11/28/409991128.db2.gz FZXFBLMVSSHIFX-VIFPVBQESA-N 2 2 193.294 1.169 20 0 ADADLP CC(C)([NH3+])C[N@H+](CC1CC1)C1CCC1 393761233 409991189 /nfs/dbraw/zinc/99/11/89/409991189.db2.gz LLDDLGASBFBYOE-UHFFFAOYSA-N 2 2 196.338 1.988 20 0 ADADLP CC(C)([NH3+])C[N@@H+](CC1CC1)C1CCC1 393761233 409991197 /nfs/dbraw/zinc/99/11/97/409991197.db2.gz LLDDLGASBFBYOE-UHFFFAOYSA-N 2 2 196.338 1.988 20 0 ADADLP Cc1ncccc1C[N@@H+](C)[C@H](C)C[NH3+] 393681978 409991423 /nfs/dbraw/zinc/99/14/23/409991423.db2.gz FZXFBLMVSSHIFX-SECBINFHSA-N 2 2 193.294 1.169 20 0 ADADLP Cc1ncccc1C[N@H+](C)[C@H](C)C[NH3+] 393681978 409991428 /nfs/dbraw/zinc/99/14/28/409991428.db2.gz FZXFBLMVSSHIFX-SECBINFHSA-N 2 2 193.294 1.169 20 0 ADADLP C[NH+](C)CC[NH2+][C@H]1CCCC12CCC2 394729167 409998450 /nfs/dbraw/zinc/99/84/50/409998450.db2.gz KCFDNEGVTVQPPS-NSHDSACASA-N 2 2 196.338 1.860 20 0 ADADLP C[NH+](C)CC[NH2+][C@@H]1CCCC12CCC2 394729163 409999373 /nfs/dbraw/zinc/99/93/73/409999373.db2.gz KCFDNEGVTVQPPS-LLVKDONJSA-N 2 2 196.338 1.860 20 0 ADADLP CC(C)C[C@@H]1CCC[N@@H+]1C[C@H](C)[NH3+] 397053608 410010121 /nfs/dbraw/zinc/01/01/21/410010121.db2.gz KPHXEXSKIIWSIK-QWRGUYRKSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+] 397053608 410010130 /nfs/dbraw/zinc/01/01/30/410010130.db2.gz KPHXEXSKIIWSIK-QWRGUYRKSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[C@@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] 397053603 410011205 /nfs/dbraw/zinc/01/12/05/410011205.db2.gz KPHXEXSKIIWSIK-MNOVXSKESA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[C@@H]1CCC[N@H+]1C[C@@H](C)[NH3+] 397053603 410011211 /nfs/dbraw/zinc/01/12/11/410011211.db2.gz KPHXEXSKIIWSIK-MNOVXSKESA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[C@H]1CCC[N@@H+]1C[C@H](C)[NH3+] 397053611 410011731 /nfs/dbraw/zinc/01/17/31/410011731.db2.gz KPHXEXSKIIWSIK-WDEREUQCSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[C@H]1CCC[N@H+]1C[C@H](C)[NH3+] 397053611 410011736 /nfs/dbraw/zinc/01/17/36/410011736.db2.gz KPHXEXSKIIWSIK-WDEREUQCSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] 397053599 410012733 /nfs/dbraw/zinc/01/27/33/410012733.db2.gz KPHXEXSKIIWSIK-GHMZBOCLSA-N 2 2 184.327 1.844 20 0 ADADLP CC(C)C[C@H]1CCC[N@H+]1C[C@@H](C)[NH3+] 397053599 410012740 /nfs/dbraw/zinc/01/27/40/410012740.db2.gz KPHXEXSKIIWSIK-GHMZBOCLSA-N 2 2 184.327 1.844 20 0 ADADLP CNc1ccc(C2=CC[NH2+]CC2)c[nH+]1 629723841 410148019 /nfs/dbraw/zinc/14/80/19/410148019.db2.gz RWEFDPCQKLLEAI-UHFFFAOYSA-N 2 2 189.262 1.500 20 0 ADADLP Nc1ccc(C2=CC[NH2+]CC2)c[nH+]1 629722952 410148334 /nfs/dbraw/zinc/14/83/34/410148334.db2.gz IJLKRHOZMJUPKK-UHFFFAOYSA-N 2 2 175.235 1.041 20 0 ADADLP Cc1cc(C2=CC[NH2+]CC2)c[nH+]c1N 629723817 410149103 /nfs/dbraw/zinc/14/91/03/410149103.db2.gz RBCNGCJTJCRXGA-UHFFFAOYSA-N 2 2 189.262 1.349 20 0 ADADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(C2CC2)CC1 649583549 410215077 /nfs/dbraw/zinc/21/50/77/410215077.db2.gz RDKPEIIBFBEECY-LLVKDONJSA-N 2 2 194.322 1.613 20 0 ADADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(C2CC2)CC1 649583549 410215084 /nfs/dbraw/zinc/21/50/84/410215084.db2.gz RDKPEIIBFBEECY-LLVKDONJSA-N 2 2 194.322 1.613 20 0 ADADLP c1[nH]c(C[NH2+]C2(C3CCC3)CC2)c[nH+]1 649810411 410236496 /nfs/dbraw/zinc/23/64/96/410236496.db2.gz JOEUGNKURJRIHU-UHFFFAOYSA-N 2 2 191.278 1.832 20 0 ADADLP F[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 649940276 410247506 /nfs/dbraw/zinc/24/75/06/410247506.db2.gz XKCLYKXLMCXOEV-JTQLQIEISA-N 2 2 197.257 1.317 20 0 ADADLP F[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 649945464 410249810 /nfs/dbraw/zinc/24/98/10/410249810.db2.gz XKCLYKXLMCXOEV-SNVBAGLBSA-N 2 2 197.257 1.317 20 0 ADADLP F[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 649945464 410249816 /nfs/dbraw/zinc/24/98/16/410249816.db2.gz XKCLYKXLMCXOEV-SNVBAGLBSA-N 2 2 197.257 1.317 20 0 ADADLP c1[nH]c(C[NH2+]CCOC2CCC2)c[nH+]1 308524270 573230419 /nfs/dbraw/zinc/23/04/19/573230419.db2.gz QIFRMBMKGAIKKB-UHFFFAOYSA-N 2 2 195.266 1.068 20 0 ADADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H]1C 308542160 573298218 /nfs/dbraw/zinc/29/82/18/573298218.db2.gz OHHDEDFTZTZDDT-MXWKQRLJSA-N 2 2 193.294 1.660 20 0 ADADLP C[C@H]1CC[C@@H]1[NH2+][C@H](C)Cn1cc[nH+]c1 308542157 573298350 /nfs/dbraw/zinc/29/83/50/573298350.db2.gz OHHDEDFTZTZDDT-AXFHLTTASA-N 2 2 193.294 1.660 20 0 ADADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H]1C 308542158 573299228 /nfs/dbraw/zinc/29/92/28/573299228.db2.gz OHHDEDFTZTZDDT-GMTAPVOTSA-N 2 2 193.294 1.660 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 308553580 573324708 /nfs/dbraw/zinc/32/47/08/573324708.db2.gz TZOAVPBLNKQOGB-CKYFFXLPSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 308553580 573324716 /nfs/dbraw/zinc/32/47/16/573324716.db2.gz TZOAVPBLNKQOGB-CKYFFXLPSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@@H](C[NH2+][C@H]1CC[C@H]1C)[N@H+](C)C1CC1 308553584 573326120 /nfs/dbraw/zinc/32/61/20/573326120.db2.gz TZOAVPBLNKQOGB-SCVCMEIPSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@@H](C[NH2+][C@H]1CC[C@H]1C)[N@@H+](C)C1CC1 308553584 573326126 /nfs/dbraw/zinc/32/61/26/573326126.db2.gz TZOAVPBLNKQOGB-SCVCMEIPSA-N 2 2 196.338 1.857 20 0 ADADLP C[C@@H](CC1CCC1)[NH2+][C@H]1CC[N@H+](C)C1 133284718 573388529 /nfs/dbraw/zinc/38/85/29/573388529.db2.gz HHSBFWHUGJPUFM-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](C)C1 133284718 573388537 /nfs/dbraw/zinc/38/85/37/573388537.db2.gz HHSBFWHUGJPUFM-JQWIXIFHSA-N 2 2 196.338 1.859 20 0 ADADLP COCCC(C)(C)[NH2+]Cc1c[nH+]c[nH]1 308605069 573519833 /nfs/dbraw/zinc/51/98/33/573519833.db2.gz PJFDMOXCAVSMBR-UHFFFAOYSA-N 2 2 197.282 1.314 20 0 ADADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@@H]1C 393551555 573697078 /nfs/dbraw/zinc/69/70/78/573697078.db2.gz SOLPWCZFRDIYRN-QWRGUYRKSA-N 2 2 184.327 1.716 20 0 ADADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H]1C 393551552 573698198 /nfs/dbraw/zinc/69/81/98/573698198.db2.gz SOLPWCZFRDIYRN-GHMZBOCLSA-N 2 2 184.327 1.716 20 0 ADADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@H]1C 393551554 573698545 /nfs/dbraw/zinc/69/85/45/573698545.db2.gz SOLPWCZFRDIYRN-MNOVXSKESA-N 2 2 184.327 1.716 20 0 ADADLP C[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CS1 86936322 573706902 /nfs/dbraw/zinc/70/69/02/573706902.db2.gz KPEAJSXWRDRNKY-JGVFFNPUSA-N 2 2 197.307 1.393 20 0 ADADLP C[N@@H+]1C[C@@H]([NH3+])C[C@H](c2ccccc2)C1 74273788 573755918 /nfs/dbraw/zinc/75/59/18/573755918.db2.gz QLFBYBVHBWHMAN-RYUDHWBXSA-N 2 2 190.290 1.433 20 0 ADADLP C[N@H+]1C[C@@H]([NH3+])C[C@H](c2ccccc2)C1 74273788 573755924 /nfs/dbraw/zinc/75/59/24/573755924.db2.gz QLFBYBVHBWHMAN-RYUDHWBXSA-N 2 2 190.290 1.433 20 0 ADADLP CCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C 308752598 573823551 /nfs/dbraw/zinc/82/35/51/573823551.db2.gz VAMBGNNSXWGFJT-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP CCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C 308752598 573823556 /nfs/dbraw/zinc/82/35/56/573823556.db2.gz VAMBGNNSXWGFJT-PWSUYJOCSA-N 2 2 196.338 1.859 20 0 ADADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H]1C1CC1 308753058 573823628 /nfs/dbraw/zinc/82/36/28/573823628.db2.gz VFSNEFAZTXTQLW-WCQGTBRESA-N 2 2 196.338 1.715 20 0 ADADLP C1=CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CC1 80122761 573878192 /nfs/dbraw/zinc/87/81/92/573878192.db2.gz OQSOOMVEMGPPLJ-SECBINFHSA-N 2 2 177.251 1.608 20 0 ADADLP [NH3+]CC1C[NH+](Cc2ccc(F)cc2)C1 84988142 573937747 /nfs/dbraw/zinc/93/77/47/573937747.db2.gz BFYPGVSYDOKKKM-UHFFFAOYSA-N 2 2 194.253 1.216 20 0 ADADLP CCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 82269936 573995914 /nfs/dbraw/zinc/99/59/14/573995914.db2.gz ORHXXKDYLJZLBV-GFCCVEGCSA-N 2 2 196.338 1.957 20 0 ADADLP CCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 82269936 573995918 /nfs/dbraw/zinc/99/59/18/573995918.db2.gz ORHXXKDYLJZLBV-GFCCVEGCSA-N 2 2 196.338 1.957 20 0 ADADLP CCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 82269936 573995921 /nfs/dbraw/zinc/99/59/21/573995921.db2.gz ORHXXKDYLJZLBV-GFCCVEGCSA-N 2 2 196.338 1.957 20 0 ADADLP CCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 82269936 573995924 /nfs/dbraw/zinc/99/59/24/573995924.db2.gz ORHXXKDYLJZLBV-GFCCVEGCSA-N 2 2 196.338 1.957 20 0 ADADLP C[C@H]1CCC[N@H+](CCF)[C@@H]1C[NH3+] 87776622 574032762 /nfs/dbraw/zinc/03/27/62/574032762.db2.gz YFYTXVQVOZEIJY-DTWKUNHWSA-N 2 2 174.263 1.015 20 0 ADADLP C[C@H]1CCC[N@@H+](CCF)[C@@H]1C[NH3+] 87776622 574032763 /nfs/dbraw/zinc/03/27/63/574032763.db2.gz YFYTXVQVOZEIJY-DTWKUNHWSA-N 2 2 174.263 1.015 20 0 ADADLP C[C@@H]1CCC[N@H+](CCF)[C@@H]1C[NH3+] 87776621 574034265 /nfs/dbraw/zinc/03/42/65/574034265.db2.gz YFYTXVQVOZEIJY-RKDXNWHRSA-N 2 2 174.263 1.015 20 0 ADADLP C[C@@H]1CCC[N@@H+](CCF)[C@@H]1C[NH3+] 87776621 574034267 /nfs/dbraw/zinc/03/42/67/574034267.db2.gz YFYTXVQVOZEIJY-RKDXNWHRSA-N 2 2 174.263 1.015 20 0 ADADLP C[C@H]([NH2+]CC[NH+](C)C)[C@H]1CC12CC2 527903180 518183333 /nfs/dbraw/zinc/18/33/33/518183333.db2.gz XRMHJRIYWVCQFO-VHSXEESVSA-N 2 2 182.311 1.326 20 0 ADADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH+](C)C 388910641 538438983 /nfs/dbraw/zinc/43/89/83/538438983.db2.gz PHLBSFOXVUDPOX-AXFHLTTASA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH+](C)C 388910646 538439009 /nfs/dbraw/zinc/43/90/09/538439009.db2.gz PHLBSFOXVUDPOX-DCAQKATOSA-N 2 2 184.327 1.715 20 0 ADADLP CC[C@H]1[C@H](C)CC[N@@H+]1C[C@H]1CCC[NH2+]1 306742904 629673285 /nfs/dbraw/zinc/67/32/85/629673285.db2.gz GMWDKSCIEZGKKW-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]1[C@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]1 306742904 629673292 /nfs/dbraw/zinc/67/32/92/629673292.db2.gz GMWDKSCIEZGKKW-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]1[C@@H](C)CC[N@@H+]1C[C@H]1CCC[NH2+]1 306742903 629674071 /nfs/dbraw/zinc/67/40/71/629674071.db2.gz GMWDKSCIEZGKKW-TUAOUCFPSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]1[C@@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]1 306742903 629674084 /nfs/dbraw/zinc/67/40/84/629674084.db2.gz GMWDKSCIEZGKKW-TUAOUCFPSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H]1CCC[NH2+]1 306742901 629674356 /nfs/dbraw/zinc/67/43/56/629674356.db2.gz GMWDKSCIEZGKKW-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]1 306742901 629674361 /nfs/dbraw/zinc/67/43/61/629674361.db2.gz GMWDKSCIEZGKKW-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H]1CCC[NH2+]1 306742902 629675238 /nfs/dbraw/zinc/67/52/38/629675238.db2.gz GMWDKSCIEZGKKW-QJPTWQEYSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]1 306742902 629675240 /nfs/dbraw/zinc/67/52/40/629675240.db2.gz GMWDKSCIEZGKKW-QJPTWQEYSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CCC[NH2+]1 306969045 629711082 /nfs/dbraw/zinc/71/10/82/629711082.db2.gz PAKNYEFGWSEEDT-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCC[NH2+]1 306969045 629711089 /nfs/dbraw/zinc/71/10/89/629711089.db2.gz PAKNYEFGWSEEDT-UTUOFQBUSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]1C[C@H](C)C[N@@H+]1C[C@H]1CCC[NH2+]1 306969044 629715689 /nfs/dbraw/zinc/71/56/89/629715689.db2.gz PAKNYEFGWSEEDT-TUAOUCFPSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@H]1C[C@H](C)C[N@H+]1C[C@H]1CCC[NH2+]1 306969044 629715692 /nfs/dbraw/zinc/71/56/92/629715692.db2.gz PAKNYEFGWSEEDT-TUAOUCFPSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)=CC[NH2+][C@H]1CCC[NH2+][C@H]1C 307084441 629737772 /nfs/dbraw/zinc/73/77/72/629737772.db2.gz ISEYCVSTNJRBRS-QWRGUYRKSA-N 2 2 182.311 1.683 20 0 ADADLP CC(C)=CC[NH2+][C@@H]1CCC[NH2+][C@H]1C 307084442 629738774 /nfs/dbraw/zinc/73/87/74/629738774.db2.gz ISEYCVSTNJRBRS-WDEREUQCSA-N 2 2 182.311 1.683 20 0 ADADLP C[N@H+](CC[NH3+])CCc1cccc(F)c1 77296033 629765744 /nfs/dbraw/zinc/76/57/44/629765744.db2.gz IMCPAMAJTWTNLR-UHFFFAOYSA-N 2 2 196.269 1.259 20 0 ADADLP C[N@@H+](CC[NH3+])CCc1cccc(F)c1 77296033 629765751 /nfs/dbraw/zinc/76/57/51/629765751.db2.gz IMCPAMAJTWTNLR-UHFFFAOYSA-N 2 2 196.269 1.259 20 0 ADADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C 307692700 629805265 /nfs/dbraw/zinc/80/52/65/629805265.db2.gz RXPVAZLWCGASQO-JTQLQIEISA-N 2 2 179.267 1.286 20 0 ADADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C 307692700 629805267 /nfs/dbraw/zinc/80/52/67/629805267.db2.gz RXPVAZLWCGASQO-JTQLQIEISA-N 2 2 179.267 1.286 20 0 ADADLP C[N@H+](CCCF)C[C@H]1CCC[NH2+]1 234282171 629827385 /nfs/dbraw/zinc/82/73/85/629827385.db2.gz LYYZAIFSVUFHSE-SECBINFHSA-N 2 2 174.263 1.030 20 0 ADADLP C[N@@H+](CCCF)C[C@H]1CCC[NH2+]1 234282171 629827391 /nfs/dbraw/zinc/82/73/91/629827391.db2.gz LYYZAIFSVUFHSE-SECBINFHSA-N 2 2 174.263 1.030 20 0 ADADLP Cc1cc(F)ccc1C[NH2+][C@@H](C)C[NH3+] 162070017 629924268 /nfs/dbraw/zinc/92/42/68/629924268.db2.gz KBIVOTVBSGPUSS-VIFPVBQESA-N 2 2 196.269 1.571 20 0 ADADLP CC(C)C[NH2+]CC[N@@H+]1CCC[C@H]1C 52375647 629930790 /nfs/dbraw/zinc/93/07/90/629930790.db2.gz KLNSBABCSUXJPM-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP CC(C)C[NH2+]CC[N@H+]1CCC[C@H]1C 52375647 629930838 /nfs/dbraw/zinc/93/08/38/629930838.db2.gz KLNSBABCSUXJPM-LLVKDONJSA-N 2 2 184.327 1.716 20 0 ADADLP C[C@@H](C[NH3+])[NH2+]Cc1ccsc1 162062631 629958518 /nfs/dbraw/zinc/95/85/18/629958518.db2.gz HPOPNMSGVXYCHP-ZETCQYMHSA-N 2 2 170.281 1.185 20 0 ADADLP CC(C)C[NH2+][C@@H](C)C[NH+](C)C 135597017 630000280 /nfs/dbraw/zinc/00/02/80/630000280.db2.gz WIZWZYYLUUGFNZ-VIFPVBQESA-N 2 2 158.289 1.182 20 0 ADADLP CC[NH+]1CCC([N@H+](C)CCF)CC1 308231811 630002174 /nfs/dbraw/zinc/00/21/74/630002174.db2.gz PAPUDIKJNFLSON-UHFFFAOYSA-N 2 2 188.290 1.372 20 0 ADADLP CC[NH+]1CCC([N@@H+](C)CCF)CC1 308231811 630002181 /nfs/dbraw/zinc/00/21/81/630002181.db2.gz PAPUDIKJNFLSON-UHFFFAOYSA-N 2 2 188.290 1.372 20 0 ADADLP CCCC[NH2+][C@H]1CC[N@H+](CCC)C1 328362733 630015663 /nfs/dbraw/zinc/01/56/63/630015663.db2.gz QEPCAKPGAMVVFG-NSHDSACASA-N 2 2 184.327 1.860 20 0 ADADLP CCCC[NH2+][C@H]1CC[N@@H+](CCC)C1 328362733 630015666 /nfs/dbraw/zinc/01/56/66/630015666.db2.gz QEPCAKPGAMVVFG-NSHDSACASA-N 2 2 184.327 1.860 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C)C1 328443299 630016247 /nfs/dbraw/zinc/01/62/47/630016247.db2.gz BEKMAGPKNCASGP-WOPDTQHZSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C)C1 328443299 630016254 /nfs/dbraw/zinc/01/62/54/630016254.db2.gz BEKMAGPKNCASGP-WOPDTQHZSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C)C1 328443293 630016280 /nfs/dbraw/zinc/01/62/80/630016280.db2.gz BEKMAGPKNCASGP-SDDRHHMPSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C)C1 328443293 630016286 /nfs/dbraw/zinc/01/62/86/630016286.db2.gz BEKMAGPKNCASGP-SDDRHHMPSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C)C1CC1 308540768 630016714 /nfs/dbraw/zinc/01/67/14/630016714.db2.gz NWMBEXWFMVEAKR-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C)C1CC1 308540768 630016719 /nfs/dbraw/zinc/01/67/19/630016719.db2.gz NWMBEXWFMVEAKR-CMPLNLGQSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C)C1 328443291 630017480 /nfs/dbraw/zinc/01/74/80/630017480.db2.gz BEKMAGPKNCASGP-GRYCIOLGSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C)C1 328443291 630017483 /nfs/dbraw/zinc/01/74/83/630017483.db2.gz BEKMAGPKNCASGP-GRYCIOLGSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C)C1 328443295 630017569 /nfs/dbraw/zinc/01/75/69/630017569.db2.gz BEKMAGPKNCASGP-SRVKXCTJSA-N 2 2 196.338 1.859 20 0 ADADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C)C1 328443295 630017574 /nfs/dbraw/zinc/01/75/74/630017574.db2.gz BEKMAGPKNCASGP-SRVKXCTJSA-N 2 2 196.338 1.859 20 0 ADADLP CCCC[NH2+][C@@H]1CC[N@H+](CCC)C1 328362731 630017773 /nfs/dbraw/zinc/01/77/73/630017773.db2.gz QEPCAKPGAMVVFG-LLVKDONJSA-N 2 2 184.327 1.860 20 0 ADADLP CCCC[NH2+][C@@H]1CC[N@@H+](CCC)C1 328362731 630017776 /nfs/dbraw/zinc/01/77/76/630017776.db2.gz QEPCAKPGAMVVFG-LLVKDONJSA-N 2 2 184.327 1.860 20 0 ADADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)[NH+](C)C 308642798 630019868 /nfs/dbraw/zinc/01/98/68/630019868.db2.gz FRTKTJUEKRZSDQ-YUSALJHKSA-N 2 2 196.338 1.715 20 0 ADADLP CCCC[NH2+]CC[N@@H+]1CC[C@H](C)C1 53389516 630031359 /nfs/dbraw/zinc/03/13/59/630031359.db2.gz CRMGXXOCJZLTIA-NSHDSACASA-N 2 2 184.327 1.718 20 0 ADADLP CCCC[NH2+]CC[N@H+]1CC[C@H](C)C1 53389516 630031365 /nfs/dbraw/zinc/03/13/65/630031365.db2.gz CRMGXXOCJZLTIA-NSHDSACASA-N 2 2 184.327 1.718 20 0 ADADLP CCCC[NH2+]CC[N@@H+]1CC[C@@H](C)C1 53389519 630031644 /nfs/dbraw/zinc/03/16/44/630031644.db2.gz CRMGXXOCJZLTIA-LLVKDONJSA-N 2 2 184.327 1.718 20 0 ADADLP CCCC[NH2+]CC[N@H+]1CC[C@@H](C)C1 53389519 630031650 /nfs/dbraw/zinc/03/16/50/630031650.db2.gz CRMGXXOCJZLTIA-LLVKDONJSA-N 2 2 184.327 1.718 20 0 ADADLP CCCC[NH2+]CC[N@H+](CC)C1CC1 53377146 630032208 /nfs/dbraw/zinc/03/22/08/630032208.db2.gz VDAJGSWMHZMJRO-UHFFFAOYSA-N 2 2 184.327 1.860 20 0 ADADLP CCCC[NH2+]CC[N@@H+](CC)C1CC1 53377146 630032210 /nfs/dbraw/zinc/03/22/10/630032210.db2.gz VDAJGSWMHZMJRO-UHFFFAOYSA-N 2 2 184.327 1.860 20 0 ADADLP CCCC[NH2+]C[C@H](C)[N@H+](C)C1CC1 53489401 630033174 /nfs/dbraw/zinc/03/31/74/630033174.db2.gz GGZUWETVWLFNQU-JTQLQIEISA-N 2 2 184.327 1.859 20 0 ADADLP CCCC[NH2+]C[C@H](C)[N@@H+](C)C1CC1 53489401 630033179 /nfs/dbraw/zinc/03/31/79/630033179.db2.gz GGZUWETVWLFNQU-JTQLQIEISA-N 2 2 184.327 1.859 20 0 ADADLP CCCC[NH2+]C[C@@H](C)[N@H+](C)C1CC1 53489399 630033193 /nfs/dbraw/zinc/03/31/93/630033193.db2.gz GGZUWETVWLFNQU-SNVBAGLBSA-N 2 2 184.327 1.859 20 0 ADADLP CCCC[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 53489399 630033198 /nfs/dbraw/zinc/03/31/98/630033198.db2.gz GGZUWETVWLFNQU-SNVBAGLBSA-N 2 2 184.327 1.859 20 0 ADADLP C[C@H]1C[N@H+](CC[NH3+])Cc2ccccc21 82791063 630047165 /nfs/dbraw/zinc/04/71/65/630047165.db2.gz FIEJHOVIVJBUSP-JTQLQIEISA-N 2 2 190.290 1.564 20 0 ADADLP C[C@H]1C[N@@H+](CC[NH3+])Cc2ccccc21 82791063 630047173 /nfs/dbraw/zinc/04/71/73/630047173.db2.gz FIEJHOVIVJBUSP-JTQLQIEISA-N 2 2 190.290 1.564 20 0 ADADLP C[C@@H]1C[N@H+](CC[NH3+])Cc2ccccc21 82791061 630048448 /nfs/dbraw/zinc/04/84/48/630048448.db2.gz FIEJHOVIVJBUSP-SNVBAGLBSA-N 2 2 190.290 1.564 20 0 ADADLP C[C@@H]1C[N@@H+](CC[NH3+])Cc2ccccc21 82791061 630048451 /nfs/dbraw/zinc/04/84/51/630048451.db2.gz FIEJHOVIVJBUSP-SNVBAGLBSA-N 2 2 190.290 1.564 20 0 ADADLP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H](C)[NH+](C)C 924954258 630074614 /nfs/dbraw/zinc/07/46/14/630074614.db2.gz DQASQNZBNPHBMN-GMTAPVOTSA-N 2 2 198.354 1.961 20 0 ADADLP C[C@H]1CC[C@@H](C)[C@@H]1[NH2+]C[C@H](C)[NH+](C)C 924954281 630074326 /nfs/dbraw/zinc/07/43/26/630074326.db2.gz DQASQNZBNPHBMN-WHOHXGKFSA-N 2 2 198.354 1.961 20 0 ADADLP C[C@H]1CC[C@@H](C)[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C 924954276 630074290 /nfs/dbraw/zinc/07/42/90/630074290.db2.gz DQASQNZBNPHBMN-KXNHARMFSA-N 2 2 198.354 1.961 20 0 ADADLP C[C@@H](C[NH2+]C1[C@H](C)CC[C@H]1C)[NH+](C)C 924954279 630074583 /nfs/dbraw/zinc/07/45/83/630074583.db2.gz DQASQNZBNPHBMN-MXWKQRLJSA-N 2 2 198.354 1.961 20 0 ADADLP CCc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C 306334181 630095516 /nfs/dbraw/zinc/09/55/16/630095516.db2.gz FSFXTTAJQJRAKZ-JTQLQIEISA-N 2 2 193.294 1.540 20 0 ADADLP CCc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C 306334181 630095522 /nfs/dbraw/zinc/09/55/22/630095522.db2.gz FSFXTTAJQJRAKZ-JTQLQIEISA-N 2 2 193.294 1.540 20 0 ADADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CCC[NH2+]1 306969040 630138173 /nfs/dbraw/zinc/13/81/73/630138173.db2.gz PAKNYEFGWSEEDT-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCC[NH2+]1 306969040 630138175 /nfs/dbraw/zinc/13/81/75/630138175.db2.gz PAKNYEFGWSEEDT-IJLUTSLNSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H]1CCC[NH2+]1 306969041 630138793 /nfs/dbraw/zinc/13/87/93/630138793.db2.gz PAKNYEFGWSEEDT-QJPTWQEYSA-N 2 2 196.338 1.859 20 0 ADADLP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CCC[NH2+]1 306969041 630138797 /nfs/dbraw/zinc/13/87/97/630138797.db2.gz PAKNYEFGWSEEDT-QJPTWQEYSA-N 2 2 196.338 1.859 20 0 ADADLP CC(C)=CC[NH2+][C@H]1CCC[NH2+][C@@H]1C 307084439 630145776 /nfs/dbraw/zinc/14/57/76/630145776.db2.gz ISEYCVSTNJRBRS-MNOVXSKESA-N 2 2 182.311 1.683 20 0 ADADLP CC(C)=CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 307084438 630146496 /nfs/dbraw/zinc/14/64/96/630146496.db2.gz ISEYCVSTNJRBRS-GHMZBOCLSA-N 2 2 182.311 1.683 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 307224940 630153212 /nfs/dbraw/zinc/15/32/12/630153212.db2.gz SZCYBDRZZDFDHN-MXWKQRLJSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C 307224940 630153214 /nfs/dbraw/zinc/15/32/14/630153214.db2.gz SZCYBDRZZDFDHN-MXWKQRLJSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 307224939 630153289 /nfs/dbraw/zinc/15/32/89/630153289.db2.gz SZCYBDRZZDFDHN-GMTAPVOTSA-N 2 2 182.311 1.469 20 0 ADADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C 307224939 630153294 /nfs/dbraw/zinc/15/32/94/630153294.db2.gz SZCYBDRZZDFDHN-GMTAPVOTSA-N 2 2 182.311 1.469 20 0 ADADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C 307692701 630185271 /nfs/dbraw/zinc/18/52/71/630185271.db2.gz RXPVAZLWCGASQO-SNVBAGLBSA-N 2 2 179.267 1.286 20 0 ADADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C 307692701 630185275 /nfs/dbraw/zinc/18/52/75/630185275.db2.gz RXPVAZLWCGASQO-SNVBAGLBSA-N 2 2 179.267 1.286 20 0 ADADLP C[C@@H]1C[NH2+][C@@H](c2ccccc2)[C@H]([NH3+])C1 143641183 630252014 /nfs/dbraw/zinc/25/20/14/630252014.db2.gz FYXJYIVKIOJESY-WCQGTBRESA-N 2 2 190.290 1.684 20 0 ADADLP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2ccccc2)[NH2+]1 204603481 630384627 /nfs/dbraw/zinc/38/46/27/630384627.db2.gz RIRLOSAVSUPMQW-ADEWGFFLSA-N 2 2 190.290 1.827 20 0 ADADLP Cc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1F 161999399 630745992 /nfs/dbraw/zinc/74/59/92/630745992.db2.gz JXZAQHMOAJNNAJ-VIFPVBQESA-N 2 2 196.269 1.571 20 0 ADADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCF 88025601 630747704 /nfs/dbraw/zinc/74/77/04/630747704.db2.gz BPFXFPTWMBSSQB-JTQLQIEISA-N 2 2 188.290 1.420 20 0 ADADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCF 88025601 630747707 /nfs/dbraw/zinc/74/77/07/630747707.db2.gz BPFXFPTWMBSSQB-JTQLQIEISA-N 2 2 188.290 1.420 20 0 ADADLP C[NH2+]CC[N@H+](C)CCC1CCC1 232159579 630747714 /nfs/dbraw/zinc/74/77/14/630747714.db2.gz PDJSZPZMNZQPCE-UHFFFAOYSA-N 2 2 170.300 1.328 20 0 ADADLP C[NH2+]CC[N@@H+](C)CCC1CCC1 232159579 630747718 /nfs/dbraw/zinc/74/77/18/630747718.db2.gz PDJSZPZMNZQPCE-UHFFFAOYSA-N 2 2 170.300 1.328 20 0 ADADLP C1C[NH2+][C@@H](C[NH+](C2CC2)C2CC2)C1 232463315 630748803 /nfs/dbraw/zinc/74/88/03/630748803.db2.gz FQIANOXDDJNGRR-SECBINFHSA-N 2 2 180.295 1.365 20 0 ADADLP Cc1csc(C[NH2+][C@H]2C[C@H]([NH3+])C2)n1 906507583 630752759 /nfs/dbraw/zinc/75/27/59/630752759.db2.gz AQIMXJMZWOHSBK-ZKCHVHJHSA-N 2 2 197.307 1.031 20 0 ADADLP C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2ccccc2)[NH2+]1 150091838 630790683 /nfs/dbraw/zinc/79/06/83/630790683.db2.gz RIRLOSAVSUPMQW-YUSALJHKSA-N 2 2 190.290 1.827 20 0 ADADLP 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