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)=CCCN1CCC([NH3+])CC1 34596773 537791458 /nfs/dbraw/zinc/79/14/58/537791458.db2.gz HMFBMHCGFUQALA-UHFFFAOYSA-N 1 3 182.311 1.766 20 0 ADADHO CC(C)C[N@H+](CCCN)C(C)C 34960382 537795597 /nfs/dbraw/zinc/79/55/97/537795597.db2.gz SAURKFIYNXJVHW-UHFFFAOYSA-N 1 3 172.316 1.702 20 0 ADADHO CC(C)C[N@@H+](CCCN)C(C)C 34960382 537795604 /nfs/dbraw/zinc/79/56/04/537795604.db2.gz SAURKFIYNXJVHW-UHFFFAOYSA-N 1 3 172.316 1.702 20 0 ADADHO C[N@H+](CCCN)C1CCCCCC1 34960514 537796388 /nfs/dbraw/zinc/79/63/88/537796388.db2.gz KUXFKGHCZXBESR-UHFFFAOYSA-N 1 3 184.327 1.990 20 0 ADADHO C[N@@H+](CCCN)C1CCCCCC1 34960514 537796400 /nfs/dbraw/zinc/79/64/00/537796400.db2.gz KUXFKGHCZXBESR-UHFFFAOYSA-N 1 3 184.327 1.990 20 0 ADADHO CC(C)[NH2+]CCCN(C)C(C)C 37480270 537815127 /nfs/dbraw/zinc/81/51/27/537815127.db2.gz IWXPIFPNCGYQOI-UHFFFAOYSA-N 1 3 172.316 1.715 20 0 ADADHO CC[C@H]1CCC[N@@H+]1CCCN 37913198 537823512 /nfs/dbraw/zinc/82/35/12/537823512.db2.gz PKGUSIZDHONLRK-VIFPVBQESA-N 1 3 156.273 1.210 20 0 ADADHO CC[C@H]1CCC[N@H+]1CCCN 37913198 537823515 /nfs/dbraw/zinc/82/35/15/537823515.db2.gz PKGUSIZDHONLRK-VIFPVBQESA-N 1 3 156.273 1.210 20 0 ADADHO CC[C@@H]1CCC[N@@H+]1CCCN 37913197 537824521 /nfs/dbraw/zinc/82/45/21/537824521.db2.gz PKGUSIZDHONLRK-SECBINFHSA-N 1 3 156.273 1.210 20 0 ADADHO CC[C@@H]1CCC[N@H+]1CCCN 37913197 537824526 /nfs/dbraw/zinc/82/45/26/537824526.db2.gz PKGUSIZDHONLRK-SECBINFHSA-N 1 3 156.273 1.210 20 0 ADADHO CC(C)[NH2+]C[C@@H]1CCN(C(C)C)C1 40621596 537836412 /nfs/dbraw/zinc/83/64/12/537836412.db2.gz MMMCRRIPPZQNHW-NSHDSACASA-N 1 3 184.327 1.715 20 0 ADADHO CC(C)C[NH2+]C[C@H]1CCN(C(C)C)C1 40621071 537836738 /nfs/dbraw/zinc/83/67/38/537836738.db2.gz LKCZSRVFEUJLIY-GFCCVEGCSA-N 1 3 198.354 1.962 20 0 ADADHO CC(C)[NH2+]C[C@H]1CCN(C(C)C)C1 40621599 537836881 /nfs/dbraw/zinc/83/68/81/537836881.db2.gz MMMCRRIPPZQNHW-LLVKDONJSA-N 1 3 184.327 1.715 20 0 ADADHO CC(C)C[NH2+]C[C@@H]1CCN(C(C)C)C1 40621069 537837632 /nfs/dbraw/zinc/83/76/32/537837632.db2.gz LKCZSRVFEUJLIY-LBPRGKRZSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CCN1 73657486 537864827 /nfs/dbraw/zinc/86/48/27/537864827.db2.gz SGAMBDNVPFBDMH-NXEZZACHSA-N 1 3 168.284 1.223 20 0 ADADHO C[C@H]1C[C@H]([NH+]2CCCC2)CCN1 73657487 537865338 /nfs/dbraw/zinc/86/53/38/537865338.db2.gz SGAMBDNVPFBDMH-VHSXEESVSA-N 1 3 168.284 1.223 20 0 ADADHO C[C@@H]1C[C@@H]([NH+]2CCCCC2)CCN1 73657503 537865537 /nfs/dbraw/zinc/86/55/37/537865537.db2.gz KAYPTZAOZJVDRG-MNOVXSKESA-N 1 3 182.311 1.613 20 0 ADADHO C[C@@H]1C[C@@H](N2CCCCC2)CC[NH2+]1 73657503 537865546 /nfs/dbraw/zinc/86/55/46/537865546.db2.gz KAYPTZAOZJVDRG-MNOVXSKESA-N 1 3 182.311 1.613 20 0 ADADHO C[C@H]1C[C@@H]([NH+]2CCCCC2)CCN1 73657505 537865926 /nfs/dbraw/zinc/86/59/26/537865926.db2.gz KAYPTZAOZJVDRG-QWRGUYRKSA-N 1 3 182.311 1.613 20 0 ADADHO C[C@H]1C[C@@H](N2CCCCC2)CC[NH2+]1 73657505 537865937 /nfs/dbraw/zinc/86/59/37/537865937.db2.gz KAYPTZAOZJVDRG-QWRGUYRKSA-N 1 3 182.311 1.613 20 0 ADADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CCN1 73657489 537866992 /nfs/dbraw/zinc/86/69/92/537866992.db2.gz SGAMBDNVPFBDMH-ZJUUUORDSA-N 1 3 168.284 1.223 20 0 ADADHO C[C@@H]1C[C@H]([NH+]2CCCCC2)CCN1 73657498 537867405 /nfs/dbraw/zinc/86/74/05/537867405.db2.gz KAYPTZAOZJVDRG-GHMZBOCLSA-N 1 3 182.311 1.613 20 0 ADADHO C[C@@H]1C[C@H](N2CCCCC2)CC[NH2+]1 73657498 537867415 /nfs/dbraw/zinc/86/74/15/537867415.db2.gz KAYPTZAOZJVDRG-GHMZBOCLSA-N 1 3 182.311 1.613 20 0 ADADHO C[C@H]1C[C@H]([NH+]2CCCCC2)CCN1 73657500 537868461 /nfs/dbraw/zinc/86/84/61/537868461.db2.gz KAYPTZAOZJVDRG-WDEREUQCSA-N 1 3 182.311 1.613 20 0 ADADHO C[C@H]1C[C@H](N2CCCCC2)CC[NH2+]1 73657500 537868470 /nfs/dbraw/zinc/86/84/70/537868470.db2.gz KAYPTZAOZJVDRG-WDEREUQCSA-N 1 3 182.311 1.613 20 0 ADADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CCN1 73657494 537869016 /nfs/dbraw/zinc/86/90/16/537869016.db2.gz SGAMBDNVPFBDMH-UWVGGRQHSA-N 1 3 168.284 1.223 20 0 ADADHO N[C@@H](C[NH3+])C1CCCCCC1 83825610 537902584 /nfs/dbraw/zinc/90/25/84/537902584.db2.gz BEXNFLNVWMAGLJ-VIFPVBQESA-N 1 3 156.273 1.243 20 0 ADADHO N[C@H](C[NH3+])C1CCCCCC1 83825608 537904261 /nfs/dbraw/zinc/90/42/61/537904261.db2.gz BEXNFLNVWMAGLJ-SECBINFHSA-N 1 3 156.273 1.243 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+]CCCN1CCCC1 163627119 538082674 /nfs/dbraw/zinc/08/26/74/538082674.db2.gz LMWCQMDJUFOBQR-VXGBXAGGSA-N 1 3 196.338 1.718 20 0 ADADHO CCN(CC)CCC[NH2+]C[C@H]1C[C@H]1C 163621432 538082727 /nfs/dbraw/zinc/08/27/27/538082727.db2.gz LVPZVPARTDYXNW-VXGBXAGGSA-N 1 3 198.354 1.964 20 0 ADADHO C[C@H]1C[C@@H]1C[NH2+]CCCN1CCCC1 163627231 538082754 /nfs/dbraw/zinc/08/27/54/538082754.db2.gz LMWCQMDJUFOBQR-NWDGAFQWSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+]CCCNC1CC1 163437064 538083174 /nfs/dbraw/zinc/08/31/74/538083174.db2.gz SBGFYKZUQAHPGY-NXEZZACHSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H]1C[C@H]1C[NH2+]CCCNC1CC1 163437290 538083633 /nfs/dbraw/zinc/08/36/33/538083633.db2.gz SBGFYKZUQAHPGY-UWVGGRQHSA-N 1 3 182.311 1.374 20 0 ADADHO CCN(CC)CCC[NH2+]C[C@@H]1C[C@@H]1C 163621063 538084305 /nfs/dbraw/zinc/08/43/05/538084305.db2.gz LVPZVPARTDYXNW-RYUDHWBXSA-N 1 3 198.354 1.964 20 0 ADADHO CCN(CC)CCC[NH2+]C[C@H]1C[C@@H]1C 163621195 538133090 /nfs/dbraw/zinc/13/30/90/538133090.db2.gz LVPZVPARTDYXNW-NWDGAFQWSA-N 1 3 198.354 1.964 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+]CCCN1CCCC1 163627342 538133346 /nfs/dbraw/zinc/13/33/46/538133346.db2.gz LMWCQMDJUFOBQR-NEPJUHHUSA-N 1 3 196.338 1.718 20 0 ADADHO CCN(CC)CCC[NH2+]C[C@@H]1C[C@H]1C 163621307 538133418 /nfs/dbraw/zinc/13/34/18/538133418.db2.gz LVPZVPARTDYXNW-NEPJUHHUSA-N 1 3 198.354 1.964 20 0 ADADHO C[C@H]1C[C@H]1C[NH2+]CCCN1CCCC1 163627455 538133779 /nfs/dbraw/zinc/13/37/79/538133779.db2.gz LMWCQMDJUFOBQR-RYUDHWBXSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@H]1C[C@@H]1C[NH2+]CCCNC1CC1 163437137 538133944 /nfs/dbraw/zinc/13/39/44/538133944.db2.gz SBGFYKZUQAHPGY-VHSXEESVSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+]CCCNC1CC1 163437228 538134373 /nfs/dbraw/zinc/13/43/73/538134373.db2.gz SBGFYKZUQAHPGY-ZJUUUORDSA-N 1 3 182.311 1.374 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@H](C)[C@H](CN)C1 164642084 538146452 /nfs/dbraw/zinc/14/64/52/538146452.db2.gz LJDQWZMIEKBGJN-SDDRHHMPSA-N 1 3 198.354 1.949 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](CN)C1 164642084 538146456 /nfs/dbraw/zinc/14/64/56/538146456.db2.gz LJDQWZMIEKBGJN-SDDRHHMPSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 164645164 538146513 /nfs/dbraw/zinc/14/65/13/538146513.db2.gz GJPJKWXGVBRHKL-NEPJUHHUSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)CC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 164645164 538146518 /nfs/dbraw/zinc/14/65/18/538146518.db2.gz GJPJKWXGVBRHKL-NEPJUHHUSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 164645293 538147804 /nfs/dbraw/zinc/14/78/04/538147804.db2.gz GJPJKWXGVBRHKL-RYUDHWBXSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)CC[N@H+]1CC[C@H](C)[C@@H](CN)C1 164645293 538147806 /nfs/dbraw/zinc/14/78/06/538147806.db2.gz GJPJKWXGVBRHKL-RYUDHWBXSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 165548701 538154098 /nfs/dbraw/zinc/15/40/98/538154098.db2.gz KBSGTOFNMBHTSA-RYUDHWBXSA-N 1 3 196.338 1.574 20 0 ADADHO CC(C)CCCN1C[C@H]2C[NH2+]C[C@@H]2C1 165548567 538154555 /nfs/dbraw/zinc/15/45/55/538154555.db2.gz KBSGTOFNMBHTSA-VXGBXAGGSA-N 1 3 196.338 1.574 20 0 ADADHO CC(C)N(C)CCC[NH+]1CCCC1 201326619 538184894 /nfs/dbraw/zinc/18/48/94/538184894.db2.gz YFBSCTUZVRCDQI-UHFFFAOYSA-N 1 3 184.327 1.813 20 0 ADADHO CC[C@H](C)C[NH2+][C@H]1CCC[C@@H](N)C1 223004383 538197554 /nfs/dbraw/zinc/19/75/54/538197554.db2.gz CEMFRIKXZGBFDJ-AXFHLTTASA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](N)C1 223004272 538197747 /nfs/dbraw/zinc/19/77/47/538197747.db2.gz CEMFRIKXZGBFDJ-HBNTYKKESA-N 1 3 184.327 1.892 20 0 ADADHO C[C@@]1(CN)CC[N@H+](CCCF)C1 235391549 538245869 /nfs/dbraw/zinc/24/58/69/538245869.db2.gz VBJYLQDQQBMVKJ-VIFPVBQESA-N 1 3 174.263 1.017 20 0 ADADHO C[C@@]1(CN)CC[N@@H+](CCCF)C1 235391549 538245872 /nfs/dbraw/zinc/24/58/72/538245872.db2.gz VBJYLQDQQBMVKJ-VIFPVBQESA-N 1 3 174.263 1.017 20 0 ADADHO C[C@@]1(C[NH3+])CCN(CCCF)C1 235391549 538245878 /nfs/dbraw/zinc/24/58/78/538245878.db2.gz VBJYLQDQQBMVKJ-VIFPVBQESA-N 1 3 174.263 1.017 20 0 ADADHO C[C@]1(CN)CC[N@H+](CCCF)C1 235746060 538247960 /nfs/dbraw/zinc/24/79/60/538247960.db2.gz VBJYLQDQQBMVKJ-SECBINFHSA-N 1 3 174.263 1.017 20 0 ADADHO C[C@]1(CN)CC[N@@H+](CCCF)C1 235746060 538247964 /nfs/dbraw/zinc/24/79/64/538247964.db2.gz VBJYLQDQQBMVKJ-SECBINFHSA-N 1 3 174.263 1.017 20 0 ADADHO C[C@]1(C[NH3+])CCN(CCCF)C1 235746060 538247969 /nfs/dbraw/zinc/24/79/69/538247969.db2.gz VBJYLQDQQBMVKJ-SECBINFHSA-N 1 3 174.263 1.017 20 0 ADADHO C[C@]1([NH+]2CCCC2)CCCNC1 238459024 538254804 /nfs/dbraw/zinc/25/48/04/538254804.db2.gz KEWSAYKPLIFQFJ-JTQLQIEISA-N 1 3 168.284 1.224 20 0 ADADHO CCC[N@H+](C)[C@H]1CCN[C@H](C)C1 252970772 538283177 /nfs/dbraw/zinc/28/31/77/538283177.db2.gz ZTAMJIBOSDEAOA-ZJUUUORDSA-N 1 3 170.300 1.469 20 0 ADADHO CCC[N@@H+](C)[C@H]1CCN[C@H](C)C1 252970772 538283178 /nfs/dbraw/zinc/28/31/78/538283178.db2.gz ZTAMJIBOSDEAOA-ZJUUUORDSA-N 1 3 170.300 1.469 20 0 ADADHO CCCN(C)[C@H]1CC[NH2+][C@H](C)C1 252970772 538283182 /nfs/dbraw/zinc/28/31/82/538283182.db2.gz ZTAMJIBOSDEAOA-ZJUUUORDSA-N 1 3 170.300 1.469 20 0 ADADHO C[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 252931621 538283326 /nfs/dbraw/zinc/28/33/26/538283326.db2.gz BKGRDDFUDSZVQT-IJLUTSLNSA-N 1 3 196.338 1.859 20 0 ADADHO C[C@@H]1CCC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 252931621 538283332 /nfs/dbraw/zinc/28/33/32/538283332.db2.gz BKGRDDFUDSZVQT-IJLUTSLNSA-N 1 3 196.338 1.859 20 0 ADADHO C[C@@H]1CCC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 252931622 538284333 /nfs/dbraw/zinc/28/43/33/538284333.db2.gz BKGRDDFUDSZVQT-UTUOFQBUSA-N 1 3 196.338 1.859 20 0 ADADHO C[C@@H]1CCC[N@H+]([C@H]2CCN[C@H](C)C2)C1 252931622 538284337 /nfs/dbraw/zinc/28/43/37/538284337.db2.gz BKGRDDFUDSZVQT-UTUOFQBUSA-N 1 3 196.338 1.859 20 0 ADADHO CCC[N@H+](C)[C@@H]1CCN[C@H](C)C1 252970771 538285082 /nfs/dbraw/zinc/28/50/82/538285082.db2.gz ZTAMJIBOSDEAOA-NXEZZACHSA-N 1 3 170.300 1.469 20 0 ADADHO CCC[N@@H+](C)[C@@H]1CCN[C@H](C)C1 252970771 538285084 /nfs/dbraw/zinc/28/50/84/538285084.db2.gz ZTAMJIBOSDEAOA-NXEZZACHSA-N 1 3 170.300 1.469 20 0 ADADHO CCCN(C)[C@@H]1CC[NH2+][C@H](C)C1 252970771 538285089 /nfs/dbraw/zinc/28/50/89/538285089.db2.gz ZTAMJIBOSDEAOA-NXEZZACHSA-N 1 3 170.300 1.469 20 0 ADADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)C2)CCN1 252931623 538285339 /nfs/dbraw/zinc/28/53/39/538285339.db2.gz BKGRDDFUDSZVQT-WOPDTQHZSA-N 1 3 196.338 1.859 20 0 ADADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](C)C2)CCN1 252931623 538285346 /nfs/dbraw/zinc/28/53/46/538285346.db2.gz BKGRDDFUDSZVQT-WOPDTQHZSA-N 1 3 196.338 1.859 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@H](C)CC(C)C 379314708 538341018 /nfs/dbraw/zinc/34/10/18/538341018.db2.gz PDRZALIGMFADBC-NXEZZACHSA-N 1 3 172.316 1.619 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H](C)CC(C)C 379314711 538341469 /nfs/dbraw/zinc/34/14/69/538341469.db2.gz PDRZALIGMFADBC-ZJUUUORDSA-N 1 3 172.316 1.619 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H](C)CC(C)C 379314709 538341991 /nfs/dbraw/zinc/34/19/91/538341991.db2.gz PDRZALIGMFADBC-UWVGGRQHSA-N 1 3 172.316 1.619 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@@H](C)CC(C)C 379314710 538342662 /nfs/dbraw/zinc/34/26/62/538342662.db2.gz PDRZALIGMFADBC-VHSXEESVSA-N 1 3 172.316 1.619 20 0 ADADHO CC(C)C[NH2+]CC1=CCN(C)CC1 379407881 538399759 /nfs/dbraw/zinc/39/97/59/538399759.db2.gz ZUGLORVJAMTPIJ-UHFFFAOYSA-N 1 3 182.311 1.494 20 0 ADADHO CN(CCC[NH+](C)C)CC1(C)CC1 379407358 538402210 /nfs/dbraw/zinc/40/22/10/538402210.db2.gz YLQNSKIHROFYTL-UHFFFAOYSA-N 1 3 184.327 1.670 20 0 ADADHO CC(C)N(C)CCC[NH2+]C[C@@H]1C[C@H]1C 379595436 538419486 /nfs/dbraw/zinc/41/94/86/538419486.db2.gz DMWVMUPNRAXPSW-NEPJUHHUSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+]CC1=CCN(C)CC1 379599069 538419575 /nfs/dbraw/zinc/41/95/75/538419575.db2.gz IQMXVFHCKDQINJ-PWSUYJOCSA-N 1 3 194.322 1.494 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+]CC1=CCN(C)CC1 379599070 538420082 /nfs/dbraw/zinc/42/00/82/538420082.db2.gz IQMXVFHCKDQINJ-ZYHUDNBSSA-N 1 3 194.322 1.494 20 0 ADADHO CC(C)N(C)CCC[NH2+]C[C@@H]1C[C@@H]1C 379595438 538420241 /nfs/dbraw/zinc/42/02/41/538420241.db2.gz DMWVMUPNRAXPSW-RYUDHWBXSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@H]1C[C@H]1C[NH2+]CC1=CCN(C)CC1 379599068 538420253 /nfs/dbraw/zinc/42/02/53/538420253.db2.gz IQMXVFHCKDQINJ-JQWIXIFHSA-N 1 3 194.322 1.494 20 0 ADADHO CC(C)N(C)CCC[NH2+]C[C@H]1C[C@@H]1C 379595437 538420540 /nfs/dbraw/zinc/42/05/40/538420540.db2.gz DMWVMUPNRAXPSW-NWDGAFQWSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@H]1C[C@@H]1C[NH2+]CC1=CCN(C)CC1 379599067 538420784 /nfs/dbraw/zinc/42/07/84/538420784.db2.gz IQMXVFHCKDQINJ-CMPLNLGQSA-N 1 3 194.322 1.494 20 0 ADADHO CC(C)N(C)CCC[NH2+]C[C@H]1C[C@H]1C 379595439 538420944 /nfs/dbraw/zinc/42/09/44/538420944.db2.gz DMWVMUPNRAXPSW-VXGBXAGGSA-N 1 3 198.354 1.962 20 0 ADADHO CN1CC=C(C[NH2+]CC(C)(C)C)CC1 379614686 538423903 /nfs/dbraw/zinc/42/39/03/538423903.db2.gz XXBJBMIRZWOYCT-UHFFFAOYSA-N 1 3 196.338 1.884 20 0 ADADHO CC[C@@H](C)C[NH2+]CC1=CCN(C)CC1 379658723 538426859 /nfs/dbraw/zinc/42/68/59/538426859.db2.gz NRZANRYQWQJYTB-LLVKDONJSA-N 1 3 196.338 1.884 20 0 ADADHO CC[C@H](C)C[NH2+]CC1=CCN(C)CC1 379658724 538426968 /nfs/dbraw/zinc/42/69/68/538426968.db2.gz NRZANRYQWQJYTB-NSHDSACASA-N 1 3 196.338 1.884 20 0 ADADHO CC[C@H]1[C@@H](C)CC[N@@H+]1CCCNC 384128411 538428640 /nfs/dbraw/zinc/42/86/40/538428640.db2.gz QADBATIMCCOGQB-QWRGUYRKSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@H]1[C@@H](C)CC[N@H+]1CCCNC 384128411 538428644 /nfs/dbraw/zinc/42/86/44/538428644.db2.gz QADBATIMCCOGQB-QWRGUYRKSA-N 1 3 184.327 1.716 20 0 ADADHO CCN(CC)CCC[N@H+](C)C1CC1 388272368 538430986 /nfs/dbraw/zinc/43/09/86/538430986.db2.gz GVRKUEFCPIUGGV-UHFFFAOYSA-N 1 3 184.327 1.813 20 0 ADADHO CCN(CC)CCC[N@@H+](C)C1CC1 388272368 538430987 /nfs/dbraw/zinc/43/09/87/538430987.db2.gz GVRKUEFCPIUGGV-UHFFFAOYSA-N 1 3 184.327 1.813 20 0 ADADHO C[NH2+]CCCN1CCCC[C@@H]1C 20047774 541301165 /nfs/dbraw/zinc/30/11/65/541301165.db2.gz WUTBICCRPDMBRD-JTQLQIEISA-N 1 3 170.300 1.470 20 0 ADADHO C[NH2+]CCCN1CCCC[C@H]1C 20047777 541301445 /nfs/dbraw/zinc/30/14/45/541301445.db2.gz WUTBICCRPDMBRD-SNVBAGLBSA-N 1 3 170.300 1.470 20 0 ADADHO CNCCC[NH2+]CCCC(C)C 163335621 541311805 /nfs/dbraw/zinc/31/18/05/541311805.db2.gz ZRTXUCUAZCBMKK-UHFFFAOYSA-N 1 3 172.316 1.622 20 0 ADADHO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1CCCNC1 238440323 541325648 /nfs/dbraw/zinc/32/56/48/541325648.db2.gz MGTLIXFJRUPRPM-IJLUTSLNSA-N 1 3 196.338 1.859 20 0 ADADHO CC(C)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 205466695 757030766 /nfs/dbraw/zinc/03/07/66/757030766.db2.gz NLLMMVOCJHWHMO-WDEREUQCSA-N 1 3 182.311 1.278 20 0 ADADHO CC(C)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 205466695 757030775 /nfs/dbraw/zinc/03/07/75/757030775.db2.gz NLLMMVOCJHWHMO-WDEREUQCSA-N 1 3 182.311 1.278 20 0 ADADHO C1C[NH2+]C[C@@H](CN(C2CC2)C2CC2)C1 232451868 757038099 /nfs/dbraw/zinc/03/80/99/757038099.db2.gz BKQQSHXJHWPKGT-JTQLQIEISA-N 1 3 194.322 1.613 20 0 ADADHO C[N@H+](CCCF)C[C@@H](N)CC(F)F 716754845 674026386 /nfs/dbraw/zinc/02/63/86/674026386.db2.gz XWNPTFXKXFGQLE-ZETCQYMHSA-N 1 3 198.232 1.260 20 0 ADADHO C[N@@H+](CCCF)C[C@@H](N)CC(F)F 716754845 674026387 /nfs/dbraw/zinc/02/63/87/674026387.db2.gz XWNPTFXKXFGQLE-ZETCQYMHSA-N 1 3 198.232 1.260 20 0 ADADHO C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CC[C@@H](C)C2)C1 401664097 757153502 /nfs/dbraw/zinc/15/35/02/757153502.db2.gz ZSQMPHPPKLRHGC-RHYQMDGZSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC[C@H](N[C@H]2C[NH2+]C[C@H](C)C2)C1 401664099 757154087 /nfs/dbraw/zinc/15/40/87/757154087.db2.gz ZSQMPHPPKLRHGC-WISYIIOYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC[C@H](N[C@@H]2C[NH2+]C[C@H](C)C2)C1 401664100 757156831 /nfs/dbraw/zinc/15/68/31/757156831.db2.gz ZSQMPHPPKLRHGC-WYUUTHIRSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC[C@@H](C)C2)C1 401664096 757157885 /nfs/dbraw/zinc/15/78/85/757157885.db2.gz ZSQMPHPPKLRHGC-NOOOWODRSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](C[NH3+])N[C@@H](C)CCc1ccco1 235143489 572113009 /nfs/dbraw/zinc/11/30/09/572113009.db2.gz OYJUJARDMUJPRC-UWVGGRQHSA-N 1 3 196.294 1.538 20 0 ADADHO CC(C)(N)C[N@@H+]1CC[C@H](CF)C1 642832631 757263481 /nfs/dbraw/zinc/26/34/81/757263481.db2.gz ZXELFVUZXNAZFU-MRVPVSSYSA-N 1 3 174.263 1.015 20 0 ADADHO CC(C)(N)C[N@H+]1CC[C@H](CF)C1 642832631 757263508 /nfs/dbraw/zinc/26/35/08/757263508.db2.gz ZXELFVUZXNAZFU-MRVPVSSYSA-N 1 3 174.263 1.015 20 0 ADADHO CC(C)(N)C[N@@H+]1CC[C@@H](CF)C1 642832632 757264896 /nfs/dbraw/zinc/26/48/96/757264896.db2.gz ZXELFVUZXNAZFU-QMMMGPOBSA-N 1 3 174.263 1.015 20 0 ADADHO CC(C)(N)C[N@H+]1CC[C@@H](CF)C1 642832632 757264913 /nfs/dbraw/zinc/26/49/13/757264913.db2.gz ZXELFVUZXNAZFU-QMMMGPOBSA-N 1 3 174.263 1.015 20 0 ADADHO CC1CC(CN(C)C2CC([NH3+])C2)C1 642849095 757266531 /nfs/dbraw/zinc/26/65/31/757266531.db2.gz RXNMOLFKYSVHHM-UHFFFAOYSA-N 1 3 182.311 1.454 20 0 ADADHO C[C@H](CC[NH2+]CC1(C)CC1)N(C)C 687313256 757310427 /nfs/dbraw/zinc/31/04/27/757310427.db2.gz ITGPJFNYFDKPAD-SNVBAGLBSA-N 1 3 184.327 1.716 20 0 ADADHO C[C@@H](CC[NH2+]CC1(C)CC1)N(C)C 687313255 757311826 /nfs/dbraw/zinc/31/18/26/757311826.db2.gz ITGPJFNYFDKPAD-JTQLQIEISA-N 1 3 184.327 1.716 20 0 ADADHO CC1CC(C[N@@H+]2CC[C@H](N)C[C@@H]2C)C1 691940652 757361731 /nfs/dbraw/zinc/36/17/31/757361731.db2.gz QTZCIILXYIPMEL-ADPBJBESSA-N 1 3 196.338 1.844 20 0 ADADHO CC1CC(C[N@H+]2CC[C@H](N)C[C@@H]2C)C1 691940652 757361734 /nfs/dbraw/zinc/36/17/34/757361734.db2.gz QTZCIILXYIPMEL-ADPBJBESSA-N 1 3 196.338 1.844 20 0 ADADHO CC1CC(C[N@@H+]2CC[C@H](N)C[C@H]2C)C1 691940655 757361925 /nfs/dbraw/zinc/36/19/25/757361925.db2.gz QTZCIILXYIPMEL-RSJDFQLWSA-N 1 3 196.338 1.844 20 0 ADADHO CC1CC(C[N@H+]2CC[C@H](N)C[C@H]2C)C1 691940655 757361939 /nfs/dbraw/zinc/36/19/39/757361939.db2.gz QTZCIILXYIPMEL-RSJDFQLWSA-N 1 3 196.338 1.844 20 0 ADADHO CC1CC(C[N@H+](C)CCCN)C1 691891549 757362382 /nfs/dbraw/zinc/36/23/82/757362382.db2.gz YAZCCDZUYWEAOA-UHFFFAOYSA-N 1 3 170.300 1.313 20 0 ADADHO CC1CC(C[N@@H+](C)CCCN)C1 691891549 757362394 /nfs/dbraw/zinc/36/23/94/757362394.db2.gz YAZCCDZUYWEAOA-UHFFFAOYSA-N 1 3 170.300 1.313 20 0 ADADHO CC1CC(C[N@@H+]2CC[C@@H](N)C[C@@H]2C)C1 691940653 757365865 /nfs/dbraw/zinc/36/58/65/757365865.db2.gz QTZCIILXYIPMEL-POSLAHMBSA-N 1 3 196.338 1.844 20 0 ADADHO CC1CC(C[N@H+]2CC[C@@H](N)C[C@@H]2C)C1 691940653 757365876 /nfs/dbraw/zinc/36/58/76/757365876.db2.gz QTZCIILXYIPMEL-POSLAHMBSA-N 1 3 196.338 1.844 20 0 ADADHO CC1CC(C[N@@H+]2CC[C@@H](N)C[C@H]2C)C1 691940657 757367264 /nfs/dbraw/zinc/36/72/64/757367264.db2.gz QTZCIILXYIPMEL-RUJICJSRSA-N 1 3 196.338 1.844 20 0 ADADHO CC1CC(C[N@H+]2CC[C@@H](N)C[C@H]2C)C1 691940657 757367273 /nfs/dbraw/zinc/36/72/73/757367273.db2.gz QTZCIILXYIPMEL-RUJICJSRSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@H](C)C[NH2+]CC[C@@H](C)N(C)C 697859626 757433663 /nfs/dbraw/zinc/43/36/63/757433663.db2.gz QXJNOZPSQHKNPQ-WDEREUQCSA-N 1 3 186.343 1.962 20 0 ADADHO CC[C@@H](C)C[NH2+]CC[C@H](C)N(C)C 697859622 757433885 /nfs/dbraw/zinc/43/38/85/757433885.db2.gz QXJNOZPSQHKNPQ-MNOVXSKESA-N 1 3 186.343 1.962 20 0 ADADHO C[C@@H](NCCCC[NH3+])c1ccoc1 87289897 572415321 /nfs/dbraw/zinc/41/53/21/572415321.db2.gz RFTNIACGWUTQSD-SECBINFHSA-N 1 3 182.267 1.669 20 0 ADADHO CC(C)=CCC[N@@H+](C)C[C@H](C)N 697613505 757434507 /nfs/dbraw/zinc/43/45/07/757434507.db2.gz OKLUPYLURZWBSJ-JTQLQIEISA-N 1 3 170.300 1.622 20 0 ADADHO CC(C)=CCC[N@H+](C)C[C@H](C)N 697613505 757434527 /nfs/dbraw/zinc/43/45/27/757434527.db2.gz OKLUPYLURZWBSJ-JTQLQIEISA-N 1 3 170.300 1.622 20 0 ADADHO C[C@@H](CC[NH2+]CC(C)(C)C)N(C)C 697858402 757436081 /nfs/dbraw/zinc/43/60/81/757436081.db2.gz MJJYLIFLPYJLTP-JTQLQIEISA-N 1 3 186.343 1.962 20 0 ADADHO CC(C)=CCC[N@@H+](C)C[C@@H](C)N 697613507 757437554 /nfs/dbraw/zinc/43/75/54/757437554.db2.gz OKLUPYLURZWBSJ-SNVBAGLBSA-N 1 3 170.300 1.622 20 0 ADADHO CC(C)=CCC[N@H+](C)C[C@@H](C)N 697613507 757437600 /nfs/dbraw/zinc/43/76/00/757437600.db2.gz OKLUPYLURZWBSJ-SNVBAGLBSA-N 1 3 170.300 1.622 20 0 ADADHO CC[C@@H](C)C[NH2+]CC[C@@H](C)N(C)C 697859620 757437864 /nfs/dbraw/zinc/43/78/64/757437864.db2.gz QXJNOZPSQHKNPQ-GHMZBOCLSA-N 1 3 186.343 1.962 20 0 ADADHO C[C@@H](CC[NH2+]C1CCCC1)N(C)C 697847669 757438467 /nfs/dbraw/zinc/43/84/67/757438467.db2.gz AYEIFJJRLKZDKG-JTQLQIEISA-N 1 3 184.327 1.859 20 0 ADADHO CC[C@H](C)C[NH2+]CC[C@H](C)N(C)C 697859624 757438490 /nfs/dbraw/zinc/43/84/90/757438490.db2.gz QXJNOZPSQHKNPQ-QWRGUYRKSA-N 1 3 186.343 1.962 20 0 ADADHO C[C@H](CC[NH2+]C1CCCC1)N(C)C 697847670 757438908 /nfs/dbraw/zinc/43/89/08/757438908.db2.gz AYEIFJJRLKZDKG-SNVBAGLBSA-N 1 3 184.327 1.859 20 0 ADADHO C[C@H](CC[NH2+]CC(C)(C)C)N(C)C 697858682 757439296 /nfs/dbraw/zinc/43/92/96/757439296.db2.gz MJJYLIFLPYJLTP-SNVBAGLBSA-N 1 3 186.343 1.962 20 0 ADADHO C=C/C=C\CCN1CCC[C@@H](C[NH3+])C1 713716471 572485695 /nfs/dbraw/zinc/48/56/95/572485695.db2.gz LHHAIOMLHRYUNY-MVZIDQBPSA-N 1 3 194.322 1.789 20 0 ADADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C=CCC1 698306837 757453658 /nfs/dbraw/zinc/45/36/58/757453658.db2.gz MBVIHGOHWIYERN-TUAOUCFPSA-N 1 3 194.322 1.812 20 0 ADADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C=CCC1 698305282 757453975 /nfs/dbraw/zinc/45/39/75/757453975.db2.gz GSQMHMUMYWCSDY-UTUOFQBUSA-N 1 3 194.322 1.825 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C=CCC1 698277827 757454769 /nfs/dbraw/zinc/45/47/69/757454769.db2.gz KEVQPOANJWDUGX-GARJFASQSA-N 1 3 180.295 1.422 20 0 ADADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1C=CCC1 698277827 757454782 /nfs/dbraw/zinc/45/47/82/757454782.db2.gz KEVQPOANJWDUGX-GARJFASQSA-N 1 3 180.295 1.422 20 0 ADADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C=CCC1 698306830 757455201 /nfs/dbraw/zinc/45/52/01/757455201.db2.gz MBVIHGOHWIYERN-QJPTWQEYSA-N 1 3 194.322 1.812 20 0 ADADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1C=CCC1 698305281 757455356 /nfs/dbraw/zinc/45/53/56/757455356.db2.gz GSQMHMUMYWCSDY-IJLUTSLNSA-N 1 3 194.322 1.825 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C=CCC1 698277823 757455394 /nfs/dbraw/zinc/45/53/94/757455394.db2.gz KEVQPOANJWDUGX-AXFHLTTASA-N 1 3 180.295 1.422 20 0 ADADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C=CCC1 698277823 757455395 /nfs/dbraw/zinc/45/53/95/757455395.db2.gz KEVQPOANJWDUGX-AXFHLTTASA-N 1 3 180.295 1.422 20 0 ADADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1C=CCC1 698305279 757456479 /nfs/dbraw/zinc/45/64/79/757456479.db2.gz GSQMHMUMYWCSDY-GRYCIOLGSA-N 1 3 194.322 1.825 20 0 ADADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1C=CCC1 698305284 757456785 /nfs/dbraw/zinc/45/67/85/757456785.db2.gz GSQMHMUMYWCSDY-WOPDTQHZSA-N 1 3 194.322 1.825 20 0 ADADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C=CCC1 698306832 757457406 /nfs/dbraw/zinc/45/74/06/757457406.db2.gz MBVIHGOHWIYERN-SDDRHHMPSA-N 1 3 194.322 1.812 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C=CCC1 698277825 757457799 /nfs/dbraw/zinc/45/77/99/757457799.db2.gz KEVQPOANJWDUGX-DCAQKATOSA-N 1 3 180.295 1.422 20 0 ADADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C=CCC1 698277825 757457847 /nfs/dbraw/zinc/45/78/47/757457847.db2.gz KEVQPOANJWDUGX-DCAQKATOSA-N 1 3 180.295 1.422 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C=CCC1 698277828 757458245 /nfs/dbraw/zinc/45/82/45/757458245.db2.gz KEVQPOANJWDUGX-HBNTYKKESA-N 1 3 180.295 1.422 20 0 ADADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1C=CCC1 698277828 757458253 /nfs/dbraw/zinc/45/82/53/757458253.db2.gz KEVQPOANJWDUGX-HBNTYKKESA-N 1 3 180.295 1.422 20 0 ADADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C=CCC1 698306835 757458504 /nfs/dbraw/zinc/45/85/04/757458504.db2.gz MBVIHGOHWIYERN-SRVKXCTJSA-N 1 3 194.322 1.812 20 0 ADADHO CC1CC(CN2C[C@@H]([NH3+])[C@H](C)C2)C1 885178613 757514097 /nfs/dbraw/zinc/51/40/97/757514097.db2.gz PQVULFLHAUIFNL-VGRIYTJTSA-N 1 3 182.311 1.312 20 0 ADADHO CC1CC(CN2C[C@@H]([NH3+])C[C@@H]2C)C1 885425110 757518053 /nfs/dbraw/zinc/51/80/53/757518053.db2.gz RUQFNUOXKZLPTM-YIYTYNFBSA-N 1 3 182.311 1.454 20 0 ADADHO CC1CC(CN2C[C@H]([NH3+])C[C@H]2C)C1 885425109 757518817 /nfs/dbraw/zinc/51/88/17/757518817.db2.gz RUQFNUOXKZLPTM-VGRIYTJTSA-N 1 3 182.311 1.454 20 0 ADADHO CC1CC(CN2C[C@@H]([NH3+])C[C@H]2C)C1 885425107 757522400 /nfs/dbraw/zinc/52/24/00/757522400.db2.gz RUQFNUOXKZLPTM-DJRKXVOMSA-N 1 3 182.311 1.454 20 0 ADADHO CC1CC(CN2C[C@H]([NH3+])C[C@@H]2C)C1 885425108 757525864 /nfs/dbraw/zinc/52/58/64/757525864.db2.gz RUQFNUOXKZLPTM-QONHTCSSSA-N 1 3 182.311 1.454 20 0 ADADHO CC1CC(C[N@@H+]2CCC[C@@H](CN)C2)C1 885835806 757549124 /nfs/dbraw/zinc/54/91/24/757549124.db2.gz GGNOEZUATRTZKG-CXQJBGSLSA-N 1 3 196.338 1.703 20 0 ADADHO CC1CC(C[N@H+]2CCC[C@@H](CN)C2)C1 885835806 757549154 /nfs/dbraw/zinc/54/91/54/757549154.db2.gz GGNOEZUATRTZKG-CXQJBGSLSA-N 1 3 196.338 1.703 20 0 ADADHO CC1CC(C[N@@H+]2CCC[C@H](CN)C2)C1 885835807 757555148 /nfs/dbraw/zinc/55/51/48/757555148.db2.gz GGNOEZUATRTZKG-MOENNCHZSA-N 1 3 196.338 1.703 20 0 ADADHO CC1CC(C[N@H+]2CCC[C@H](CN)C2)C1 885835807 757555164 /nfs/dbraw/zinc/55/51/64/757555164.db2.gz GGNOEZUATRTZKG-MOENNCHZSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@H](CCN1CCCC1)[NH+]1CCCC1 1116321925 757588396 /nfs/dbraw/zinc/58/83/96/757588396.db2.gz UVVPSHMLIGYTKF-GFCCVEGCSA-N 1 3 196.338 1.957 20 0 ADADHO C[C@H](CC[NH+]1CCCC1)N1CCCC1 1116321925 757588418 /nfs/dbraw/zinc/58/84/18/757588418.db2.gz UVVPSHMLIGYTKF-GFCCVEGCSA-N 1 3 196.338 1.957 20 0 ADADHO C[C@@H](CCN1CCCC1)[NH+]1CCCC1 1116321926 757591739 /nfs/dbraw/zinc/59/17/39/757591739.db2.gz UVVPSHMLIGYTKF-LBPRGKRZSA-N 1 3 196.338 1.957 20 0 ADADHO C[C@@H](CC[NH+]1CCCC1)N1CCCC1 1116321926 757591778 /nfs/dbraw/zinc/59/17/78/757591778.db2.gz UVVPSHMLIGYTKF-LBPRGKRZSA-N 1 3 196.338 1.957 20 0 ADADHO CNC[C@H](C)C[NH2+][C@H]1CC[C@@H](C)C1 129388179 573279271 /nfs/dbraw/zinc/27/92/71/573279271.db2.gz IGQKYVKDWCMPJS-VWYCJHECSA-N 1 3 184.327 1.620 20 0 ADADHO CC(C)[C@H]1C[C@@H](N)CC[N@@H+]1C 74342426 573328147 /nfs/dbraw/zinc/32/81/47/573328147.db2.gz DNBJHISJHLTYOS-DTWKUNHWSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[C@H]1C[C@@H](N)CC[N@H+]1C 74342426 573328151 /nfs/dbraw/zinc/32/81/51/573328151.db2.gz DNBJHISJHLTYOS-DTWKUNHWSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[C@H]1C[C@@H]([NH3+])CCN1C 74342426 573328156 /nfs/dbraw/zinc/32/81/56/573328156.db2.gz DNBJHISJHLTYOS-DTWKUNHWSA-N 1 3 156.273 1.064 20 0 ADADHO CCCCCC[N@@H+]1CC[C@H](CN)C1 50245195 573337484 /nfs/dbraw/zinc/33/74/84/573337484.db2.gz PRABBXJNYWPGCS-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO CCCCCC[N@H+]1CC[C@H](CN)C1 50245195 573337490 /nfs/dbraw/zinc/33/74/90/573337490.db2.gz PRABBXJNYWPGCS-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 86494122 573465044 /nfs/dbraw/zinc/46/50/44/573465044.db2.gz JOFNDPRBZMNEPZ-AXFHLTTASA-N 1 3 182.311 1.517 20 0 ADADHO CCCCN[C@@H]1CCC[NH2+]C1 43323974 572129660 /nfs/dbraw/zinc/12/96/60/572129660.db2.gz UUBRATADBZZTPW-SECBINFHSA-N 1 3 156.273 1.128 20 0 ADADHO CCCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 83119678 572187403 /nfs/dbraw/zinc/18/74/03/572187403.db2.gz ZWAXIAHXERJXDR-RYUDHWBXSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]([NH2+]CCC1CCC1)C1CNC1 686245883 573512285 /nfs/dbraw/zinc/51/22/85/573512285.db2.gz OXKIWFGROITSDY-SECBINFHSA-N 1 3 182.311 1.374 20 0 ADADHO CC(C)C[C@@H]1C[C@@H](N)CC[NH2+]1 107118428 573356433 /nfs/dbraw/zinc/35/64/33/573356433.db2.gz QXUSLLQPFRHENW-DTWKUNHWSA-N 1 3 156.273 1.112 20 0 ADADHO CC(C)C[C@@H]1C[C@@H]([NH3+])CCN1 107118428 573356437 /nfs/dbraw/zinc/35/64/37/573356437.db2.gz QXUSLLQPFRHENW-DTWKUNHWSA-N 1 3 156.273 1.112 20 0 ADADHO CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 86499895 573467294 /nfs/dbraw/zinc/46/72/94/573467294.db2.gz WRUIWIHPBGHTCV-TUAOUCFPSA-N 1 3 196.338 1.907 20 0 ADADHO [NH3+][C@@H]1CCC[C@@H](NC/C=C/C2CC2)C1 393639010 573502844 /nfs/dbraw/zinc/50/28/44/573502844.db2.gz RDWIKIKHYHEKMF-JGLYPNHGSA-N 1 3 194.322 1.812 20 0 ADADHO CCCCCC[NH2+][C@H](C)C1CNC1 686249458 573691010 /nfs/dbraw/zinc/69/10/10/573691010.db2.gz HHHRLFQRZRDTMT-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CCCCCC[NH2+][C@@H](C)C1CNC1 686249457 573695085 /nfs/dbraw/zinc/69/50/85/573695085.db2.gz HHHRLFQRZRDTMT-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]c1 258934753 573774950 /nfs/dbraw/zinc/77/49/50/573774950.db2.gz JPWUZTVOFGFJRE-GHMZBOCLSA-N 1 3 193.294 1.374 20 0 ADADHO CC[N@H+](CCCNC)C(C)C 42409485 573940112 /nfs/dbraw/zinc/94/01/12/573940112.db2.gz NUDKMUYBBDJZIH-UHFFFAOYSA-N 1 3 158.289 1.326 20 0 ADADHO CC[N@@H+](CCCNC)C(C)C 42409485 573940116 /nfs/dbraw/zinc/94/01/16/573940116.db2.gz NUDKMUYBBDJZIH-UHFFFAOYSA-N 1 3 158.289 1.326 20 0 ADADHO CCN(CCC[NH2+]C)C(C)C 42409485 573940122 /nfs/dbraw/zinc/94/01/22/573940122.db2.gz NUDKMUYBBDJZIH-UHFFFAOYSA-N 1 3 158.289 1.326 20 0 ADADHO C[C@H]1CCCC[C@@H]1C[NH2+]C1CC(N)C1 87651790 573994808 /nfs/dbraw/zinc/99/48/08/573994808.db2.gz ACSHJACFYYKWPV-DMOGRIERSA-N 1 3 196.338 1.892 20 0 ADADHO C[N@H+](CC1CCC1)C[C@@H]1CCCNC1 61458210 1169100631 /nfs/dbraw/zinc/10/06/31/1169100631.db2.gz BVTLLKSIHVUCKF-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO C[N@@H+](CC1CCC1)C[C@@H]1CCCNC1 61458210 1169100635 /nfs/dbraw/zinc/10/06/35/1169100635.db2.gz BVTLLKSIHVUCKF-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1C[N@H+](C[C@H]2C[C@H]2C)C[C@H]1CN 722682040 673915084 /nfs/dbraw/zinc/91/50/84/673915084.db2.gz KRKCKNIWJMVNGI-GWOFURMSSA-N 1 3 182.311 1.169 20 0 ADADHO C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H](C)[C@H](CN)C1 722682042 673914730 /nfs/dbraw/zinc/91/47/30/673914730.db2.gz KRKCKNIWJMVNGI-LNFKQOIKSA-N 1 3 182.311 1.169 20 0 ADADHO C[C@H]1C[C@@H]1C[N@H+]1C[C@@H](C)[C@H](CN)C1 722682042 673914733 /nfs/dbraw/zinc/91/47/33/673914733.db2.gz KRKCKNIWJMVNGI-LNFKQOIKSA-N 1 3 182.311 1.169 20 0 ADADHO C[C@@H]1C[N@@H+](C[C@H]2C[C@H]2C)C[C@H]1CN 722682040 673915082 /nfs/dbraw/zinc/91/50/82/673915082.db2.gz KRKCKNIWJMVNGI-GWOFURMSSA-N 1 3 182.311 1.169 20 0 ADADHO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](CN)C1 307709135 673921219 /nfs/dbraw/zinc/92/12/19/673921219.db2.gz LGROSMVMLURMKO-MXWKQRLJSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](CN)C1 307709135 673921222 /nfs/dbraw/zinc/92/12/22/673921222.db2.gz LGROSMVMLURMKO-MXWKQRLJSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](CN)C1 307709136 673921351 /nfs/dbraw/zinc/92/13/51/673921351.db2.gz LGROSMVMLURMKO-OUAUKWLOSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](CN)C1 307709136 673921352 /nfs/dbraw/zinc/92/13/52/673921352.db2.gz LGROSMVMLURMKO-OUAUKWLOSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](CN)C1 307709137 673921542 /nfs/dbraw/zinc/92/15/42/673921542.db2.gz LGROSMVMLURMKO-VWYCJHECSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](CN)C1 307709137 673921546 /nfs/dbraw/zinc/92/15/46/673921546.db2.gz LGROSMVMLURMKO-VWYCJHECSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](CN)C1 307709134 673921636 /nfs/dbraw/zinc/92/16/36/673921636.db2.gz LGROSMVMLURMKO-GMTAPVOTSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](CN)C1 307709134 673921639 /nfs/dbraw/zinc/92/16/39/673921639.db2.gz LGROSMVMLURMKO-GMTAPVOTSA-N 1 3 182.311 1.313 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](CN)C1 723074728 673923557 /nfs/dbraw/zinc/92/35/57/673923557.db2.gz XHEDBCZHBOMERI-UTUOFQBUSA-N 1 3 196.338 1.703 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](CN)C1 723074728 673923559 /nfs/dbraw/zinc/92/35/59/673923559.db2.gz XHEDBCZHBOMERI-UTUOFQBUSA-N 1 3 196.338 1.703 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](CN)C1 723074727 673923577 /nfs/dbraw/zinc/92/35/77/673923577.db2.gz XHEDBCZHBOMERI-TUAOUCFPSA-N 1 3 196.338 1.703 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](CN)C1 723074727 673923579 /nfs/dbraw/zinc/92/35/79/673923579.db2.gz XHEDBCZHBOMERI-TUAOUCFPSA-N 1 3 196.338 1.703 20 0 ADADHO CC[C@@H]1C[C@H]1CN(C)CCC[NH2+]C 723072546 673923734 /nfs/dbraw/zinc/92/37/34/673923734.db2.gz FUHZARXBAXHLKG-MNOVXSKESA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@@H]1C[C@H]1CN(C)C1CC([NH3+])C1 723103209 673924085 /nfs/dbraw/zinc/92/40/85/673924085.db2.gz NLHVEWFRDYONLM-MFQSTILNSA-N 1 3 182.311 1.454 20 0 ADADHO CC[C@@H]1C[C@H]1CN1C[C@@H]([NH3+])[C@H](C)C1 723115861 673924519 /nfs/dbraw/zinc/92/45/19/673924519.db2.gz PRZYOEJDVGGRNA-CHWFTXMASA-N 1 3 182.311 1.312 20 0 ADADHO CC(C)C[C@@H](C)CN1C[C@@H]([NH3+])[C@H](C)C1 723479304 673928446 /nfs/dbraw/zinc/92/84/46/673928446.db2.gz FPUCCFNEFAUXCR-IJLUTSLNSA-N 1 3 198.354 1.948 20 0 ADADHO Cc1ccc(C[NH2+][C@@H](C)CN)cc1F 162004024 673939612 /nfs/dbraw/zinc/93/96/12/673939612.db2.gz IRBGTMUWDCIJMN-VIFPVBQESA-N 1 3 196.269 1.571 20 0 ADADHO CCN1[C@H]2CC[C@@H]1CC[N@@H+](C)C2 931726622 673950800 /nfs/dbraw/zinc/95/08/00/673950800.db2.gz KCPJYDGQKNNKKV-ZJUUUORDSA-N 1 3 168.284 1.175 20 0 ADADHO CCN1[C@H]2CC[C@@H]1CC[N@H+](C)C2 931726622 673950802 /nfs/dbraw/zinc/95/08/02/673950802.db2.gz KCPJYDGQKNNKKV-ZJUUUORDSA-N 1 3 168.284 1.175 20 0 ADADHO N[C@@H]1CCC[N@H+](CCCC2CC2)C1 157105300 673966186 /nfs/dbraw/zinc/96/61/86/673966186.db2.gz VMBLJSULXPRXTC-LLVKDONJSA-N 1 3 182.311 1.600 20 0 ADADHO N[C@@H]1CCC[N@@H+](CCCC2CC2)C1 157105300 673966188 /nfs/dbraw/zinc/96/61/88/673966188.db2.gz VMBLJSULXPRXTC-LLVKDONJSA-N 1 3 182.311 1.600 20 0 ADADHO CCN(CC)C[C@@H]1C[NH2+]C[C@H]1C 60253192 673969864 /nfs/dbraw/zinc/96/98/64/673969864.db2.gz FKEUCBAGQPYXDD-ZJUUUORDSA-N 1 3 170.300 1.184 20 0 ADADHO CC1CC(C[N@@H+]2CC[C@@H](N)[C@@H](C)C2)C1 700830407 673977966 /nfs/dbraw/zinc/97/79/66/673977966.db2.gz LCWRKIQASTWFBV-POSLAHMBSA-N 1 3 196.338 1.702 20 0 ADADHO CC1CC(C[N@H+]2CC[C@@H](N)[C@@H](C)C2)C1 700830407 673977968 /nfs/dbraw/zinc/97/79/68/673977968.db2.gz LCWRKIQASTWFBV-POSLAHMBSA-N 1 3 196.338 1.702 20 0 ADADHO CC1CC(C[N@@H+]2CC[C@@H](N)[C@H](C)C2)C1 700830412 673978279 /nfs/dbraw/zinc/97/82/79/673978279.db2.gz LCWRKIQASTWFBV-RUJICJSRSA-N 1 3 196.338 1.702 20 0 ADADHO CC1CC(C[N@H+]2CC[C@@H](N)[C@H](C)C2)C1 700830412 673978280 /nfs/dbraw/zinc/97/82/80/673978280.db2.gz LCWRKIQASTWFBV-RUJICJSRSA-N 1 3 196.338 1.702 20 0 ADADHO CC1CC(C[N@@H+]2CC[C@H](N)[C@@H](C)C2)C1 700830404 673978330 /nfs/dbraw/zinc/97/83/30/673978330.db2.gz LCWRKIQASTWFBV-ADPBJBESSA-N 1 3 196.338 1.702 20 0 ADADHO CC1CC(C[N@H+]2CC[C@H](N)[C@@H](C)C2)C1 700830404 673978331 /nfs/dbraw/zinc/97/83/31/673978331.db2.gz LCWRKIQASTWFBV-ADPBJBESSA-N 1 3 196.338 1.702 20 0 ADADHO CC1CC(C[N@@H+]2CC[C@H](N)[C@H](C)C2)C1 700830410 673978385 /nfs/dbraw/zinc/97/83/85/673978385.db2.gz LCWRKIQASTWFBV-RSJDFQLWSA-N 1 3 196.338 1.702 20 0 ADADHO CC1CC(C[N@H+]2CC[C@H](N)[C@H](C)C2)C1 700830410 673978388 /nfs/dbraw/zinc/97/83/88/673978388.db2.gz LCWRKIQASTWFBV-RSJDFQLWSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+]CC[C@@H](C)N(C)C 705211433 673985957 /nfs/dbraw/zinc/98/59/57/673985957.db2.gz JJHIOXAOJVPOHJ-GMTAPVOTSA-N 1 3 184.327 1.572 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+]CC[C@@H](C)N(C)C 705211434 673985991 /nfs/dbraw/zinc/98/59/91/673985991.db2.gz JJHIOXAOJVPOHJ-MXWKQRLJSA-N 1 3 184.327 1.572 20 0 ADADHO C[C@@H](CC[NH2+]C[C@@H]1C[C@H]1C)N(C)C 705211436 673986406 /nfs/dbraw/zinc/98/64/06/673986406.db2.gz JJHIOXAOJVPOHJ-VWYCJHECSA-N 1 3 184.327 1.572 20 0 ADADHO C[C@@H](CC[NH2+]C[C@H]1C[C@H]1C)N(C)C 705211435 673986497 /nfs/dbraw/zinc/98/64/97/673986497.db2.gz JJHIOXAOJVPOHJ-OUAUKWLOSA-N 1 3 184.327 1.572 20 0 ADADHO CC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CN)C1 708174470 673990421 /nfs/dbraw/zinc/99/04/21/673990421.db2.gz XZIOLOOPHNRFJY-OPRDCNLKSA-N 1 3 170.300 1.312 20 0 ADADHO CC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CN)C1 708174470 673990424 /nfs/dbraw/zinc/99/04/24/673990424.db2.gz XZIOLOOPHNRFJY-OPRDCNLKSA-N 1 3 170.300 1.312 20 0 ADADHO C1=C[C@H](NC2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1 709428170 673993915 /nfs/dbraw/zinc/99/39/15/673993915.db2.gz WMHIWXHVEGUKJM-WSMDXJOWSA-N 1 3 192.306 1.578 20 0 ADADHO C1=C[C@@H](NC2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1 709428174 673994028 /nfs/dbraw/zinc/99/40/28/673994028.db2.gz WMHIWXHVEGUKJM-YIBTVLSRSA-N 1 3 192.306 1.578 20 0 ADADHO CC(C)(N)C[N@@H+]1CCC[C@@H](CF)C1 711452805 674000199 /nfs/dbraw/zinc/00/01/99/674000199.db2.gz ICHDLJILKTUCLE-VIFPVBQESA-N 1 3 188.290 1.405 20 0 ADADHO CC(C)(N)C[N@H+]1CCC[C@@H](CF)C1 711452805 674000201 /nfs/dbraw/zinc/00/02/01/674000201.db2.gz ICHDLJILKTUCLE-VIFPVBQESA-N 1 3 188.290 1.405 20 0 ADADHO C[C@@H]([NH2+]C[C@H]1C=CCC1)C1CNC1 711745179 674003166 /nfs/dbraw/zinc/00/31/66/674003166.db2.gz STRHNTUOXNRAGV-ZJUUUORDSA-N 1 3 180.295 1.150 20 0 ADADHO C[C@H]([NH2+]C[C@@H]1C=CCC1)C1CNC1 711745178 674003209 /nfs/dbraw/zinc/00/32/09/674003209.db2.gz STRHNTUOXNRAGV-VHSXEESVSA-N 1 3 180.295 1.150 20 0 ADADHO C[C@@H]([NH2+]C[C@@H]1C=CCC1)C1CNC1 711745176 674003584 /nfs/dbraw/zinc/00/35/84/674003584.db2.gz STRHNTUOXNRAGV-NXEZZACHSA-N 1 3 180.295 1.150 20 0 ADADHO C[C@H]([NH2+]C[C@H]1C=CCC1)C1CNC1 711745177 674003634 /nfs/dbraw/zinc/00/36/34/674003634.db2.gz STRHNTUOXNRAGV-UWVGGRQHSA-N 1 3 180.295 1.150 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C=CCC1 711778863 674004274 /nfs/dbraw/zinc/00/42/74/674004274.db2.gz RYLMHLBRVHJUOX-GRYCIOLGSA-N 1 3 194.322 1.670 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C=CCC1 711778865 674004286 /nfs/dbraw/zinc/00/42/86/674004286.db2.gz RYLMHLBRVHJUOX-SRVKXCTJSA-N 1 3 194.322 1.670 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C=CCC1 711778866 674004312 /nfs/dbraw/zinc/00/43/12/674004312.db2.gz RYLMHLBRVHJUOX-WOPDTQHZSA-N 1 3 194.322 1.670 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C=CCC1 711778864 674004390 /nfs/dbraw/zinc/00/43/90/674004390.db2.gz RYLMHLBRVHJUOX-SDDRHHMPSA-N 1 3 194.322 1.670 20 0 ADADHO CC(C)(N)C[N@@H+]1CCC[C@H](CF)C1 711452804 674005985 /nfs/dbraw/zinc/00/59/85/674005985.db2.gz ICHDLJILKTUCLE-SECBINFHSA-N 1 3 188.290 1.405 20 0 ADADHO CC(C)(N)C[N@H+]1CCC[C@H](CF)C1 711452804 674005987 /nfs/dbraw/zinc/00/59/87/674005987.db2.gz ICHDLJILKTUCLE-SECBINFHSA-N 1 3 188.290 1.405 20 0 ADADHO C=C/C=C/CCN1C[C@@H]2C[NH2+]C[C@@H]2C1 713718963 674016059 /nfs/dbraw/zinc/01/60/59/674016059.db2.gz WHWSUTALMHBAGU-ROUHBEFFSA-N 1 3 192.306 1.270 20 0 ADADHO C=C/C=C/CC[N@@H+](C)C[C@@H](C)N 713716837 674016464 /nfs/dbraw/zinc/01/64/64/674016464.db2.gz LRIYRBOEXBIKLR-BRAIEQGRSA-N 1 3 168.284 1.398 20 0 ADADHO C=C/C=C/CC[N@H+](C)C[C@@H](C)N 713716837 674016465 /nfs/dbraw/zinc/01/64/65/674016465.db2.gz LRIYRBOEXBIKLR-BRAIEQGRSA-N 1 3 168.284 1.398 20 0 ADADHO C=C/C=C\CCN1CCC(C)([NH3+])CC1 713639182 674013824 /nfs/dbraw/zinc/01/38/24/674013824.db2.gz BGGLRYPMXZRDOG-PLNGDYQASA-N 1 3 194.322 1.932 20 0 ADADHO C=C/C=C/CCN1CCC(C)([NH3+])CC1 713639184 674014008 /nfs/dbraw/zinc/01/40/08/674014008.db2.gz BGGLRYPMXZRDOG-SNAWJCMRSA-N 1 3 194.322 1.932 20 0 ADADHO C=C/C=C/CC[N@H+]1CCC[C@@H](N)C1 713700960 674014632 /nfs/dbraw/zinc/01/46/32/674014632.db2.gz FAJMOJGLJZBFEK-PGLGOXFNSA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C/CC[N@@H+]1CCC[C@@H](N)C1 713700960 674014633 /nfs/dbraw/zinc/01/46/33/674014633.db2.gz FAJMOJGLJZBFEK-PGLGOXFNSA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C\CC[N@H+]1CCC[C@H](N)C1 713700957 674014713 /nfs/dbraw/zinc/01/47/13/674014713.db2.gz FAJMOJGLJZBFEK-BYCRGOAPSA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C\CC[N@@H+]1CCC[C@H](N)C1 713700957 674014715 /nfs/dbraw/zinc/01/47/15/674014715.db2.gz FAJMOJGLJZBFEK-BYCRGOAPSA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C\CC[N@H+]1CCC[C@@H](N)C1 713700959 674015022 /nfs/dbraw/zinc/01/50/22/674015022.db2.gz FAJMOJGLJZBFEK-DLRQAJBASA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C\CC[N@@H+]1CCC[C@@H](N)C1 713700959 674015025 /nfs/dbraw/zinc/01/50/25/674015025.db2.gz FAJMOJGLJZBFEK-DLRQAJBASA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C\CCN1CCC([NH3+])CC1 713703945 674015046 /nfs/dbraw/zinc/01/50/46/674015046.db2.gz UEDUVBDFROQUQR-ARJAWSKDSA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C/CCN1CCC([NH3+])CC1 713703946 674015055 /nfs/dbraw/zinc/01/50/55/674015055.db2.gz UEDUVBDFROQUQR-ONEGZZNKSA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C/CC[N@H+]1CCC[C@H](N)C1 713700962 674015480 /nfs/dbraw/zinc/01/54/80/674015480.db2.gz FAJMOJGLJZBFEK-UFFNRZRYSA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C/CC[N@@H+]1CCC[C@H](N)C1 713700962 674015482 /nfs/dbraw/zinc/01/54/82/674015482.db2.gz FAJMOJGLJZBFEK-UFFNRZRYSA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C/CCN1C[C@@H]2C[NH2+]C[C@H]2C1 713718962 674015674 /nfs/dbraw/zinc/01/56/74/674015674.db2.gz WHWSUTALMHBAGU-QSKOYVBTSA-N 1 3 192.306 1.270 20 0 ADADHO C=C/C=C\CCN1C[C@@H]2C[NH2+]C[C@@H]2C1 713718969 674015691 /nfs/dbraw/zinc/01/56/91/674015691.db2.gz WHWSUTALMHBAGU-XVGAQQEPSA-N 1 3 192.306 1.270 20 0 ADADHO C=C/C=C\CCN1C[C@@H]2C[NH2+]C[C@H]2C1 713718967 674015738 /nfs/dbraw/zinc/01/57/38/674015738.db2.gz WHWSUTALMHBAGU-WGPFEIJOSA-N 1 3 192.306 1.270 20 0 ADADHO C=C/C=C\CC[N@@H+](C)C[C@H](C)N 713716838 674015994 /nfs/dbraw/zinc/01/59/94/674015994.db2.gz LRIYRBOEXBIKLR-OMMCCPJFSA-N 1 3 168.284 1.398 20 0 ADADHO C=C/C=C\CC[N@H+](C)C[C@H](C)N 713716838 674015995 /nfs/dbraw/zinc/01/59/95/674015995.db2.gz LRIYRBOEXBIKLR-OMMCCPJFSA-N 1 3 168.284 1.398 20 0 ADADHO C=C/C=C/CC[N@H+]1CC[C@](C)(CN)C1 713717350 674016080 /nfs/dbraw/zinc/01/60/80/674016080.db2.gz NVFFYPLUVLNXOB-ZYOFXKKJSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C/CC[N@@H+]1CC[C@](C)(CN)C1 713717350 674016081 /nfs/dbraw/zinc/01/60/81/674016081.db2.gz NVFFYPLUVLNXOB-ZYOFXKKJSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C\CC[N@@H+](C)C[C@@H](C)N 713716840 674016185 /nfs/dbraw/zinc/01/61/85/674016185.db2.gz LRIYRBOEXBIKLR-WWQCOOJYSA-N 1 3 168.284 1.398 20 0 ADADHO C=C/C=C\CC[N@H+](C)C[C@@H](C)N 713716840 674016188 /nfs/dbraw/zinc/01/61/88/674016188.db2.gz LRIYRBOEXBIKLR-WWQCOOJYSA-N 1 3 168.284 1.398 20 0 ADADHO C=C/C=C\CC[N@H+]1CC[C@](C)(CN)C1 713717346 674016246 /nfs/dbraw/zinc/01/62/46/674016246.db2.gz NVFFYPLUVLNXOB-QMAVJUDZSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C\CC[N@@H+]1CC[C@](C)(CN)C1 713717346 674016249 /nfs/dbraw/zinc/01/62/49/674016249.db2.gz NVFFYPLUVLNXOB-QMAVJUDZSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C/CC[N@@H+](C)C[C@H](C)N 713716839 674016266 /nfs/dbraw/zinc/01/62/66/674016266.db2.gz LRIYRBOEXBIKLR-PORFMDCZSA-N 1 3 168.284 1.398 20 0 ADADHO C=C/C=C/CC[N@H+](C)C[C@H](C)N 713716839 674016268 /nfs/dbraw/zinc/01/62/68/674016268.db2.gz LRIYRBOEXBIKLR-PORFMDCZSA-N 1 3 168.284 1.398 20 0 ADADHO C=C/C=C/CC[N@H+]1CC[C@@](C)(CN)C1 713717345 674016363 /nfs/dbraw/zinc/01/63/63/674016363.db2.gz NVFFYPLUVLNXOB-ITKZLYELSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C\CC[N@H+]1CC[C@@](C)(CN)C1 713717348 674016331 /nfs/dbraw/zinc/01/63/31/674016331.db2.gz NVFFYPLUVLNXOB-RXNFCKPNSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C\CC[N@@H+]1CC[C@@](C)(CN)C1 713717348 674016334 /nfs/dbraw/zinc/01/63/34/674016334.db2.gz NVFFYPLUVLNXOB-RXNFCKPNSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C/CC[N@@H+]1CC[C@@](C)(CN)C1 713717345 674016366 /nfs/dbraw/zinc/01/63/66/674016366.db2.gz NVFFYPLUVLNXOB-ITKZLYELSA-N 1 3 194.322 1.789 20 0 ADADHO C[N@H+](CCCF)C[C@H](N)CC(F)F 716754841 674026225 /nfs/dbraw/zinc/02/62/25/674026225.db2.gz XWNPTFXKXFGQLE-SSDOTTSWSA-N 1 3 198.232 1.260 20 0 ADADHO C[N@@H+](CCCF)C[C@H](N)CC(F)F 716754841 674026226 /nfs/dbraw/zinc/02/62/26/674026226.db2.gz XWNPTFXKXFGQLE-SSDOTTSWSA-N 1 3 198.232 1.260 20 0 ADADHO C(CN[C@H]1CCC[NH2+]C1)CC1CC1 156854801 1169258199 /nfs/dbraw/zinc/25/81/99/1169258199.db2.gz WPOTWAVAYPJHAR-NSHDSACASA-N 1 3 182.311 1.518 20 0 ADADHO C(CN[C@@H]1CCC[NH2+]C1)CC1CC1 156854940 1169259070 /nfs/dbraw/zinc/25/90/70/1169259070.db2.gz WPOTWAVAYPJHAR-LLVKDONJSA-N 1 3 182.311 1.518 20 0 ADADHO CC[NH2+]C1CCN(C[C@H]2C[C@@H]2C)CC1 167063608 1169282528 /nfs/dbraw/zinc/28/25/28/1169282528.db2.gz MPLGPGVFCZSSMB-WDEREUQCSA-N 1 3 196.338 1.716 20 0 ADADHO CC[NH2+]C1CCN(C[C@@H]2C[C@H]2C)CC1 167063708 1169282839 /nfs/dbraw/zinc/28/28/39/1169282839.db2.gz MPLGPGVFCZSSMB-MNOVXSKESA-N 1 3 196.338 1.716 20 0 ADADHO CC[NH2+]C1CCN(C[C@H]2C[C@H]2C)CC1 167063824 1169282929 /nfs/dbraw/zinc/28/29/29/1169282929.db2.gz MPLGPGVFCZSSMB-GHMZBOCLSA-N 1 3 196.338 1.716 20 0 ADADHO CC[NH2+]C1CCN(C[C@@H]2C[C@@H]2C)CC1 167063507 1169283102 /nfs/dbraw/zinc/28/31/02/1169283102.db2.gz MPLGPGVFCZSSMB-QWRGUYRKSA-N 1 3 196.338 1.716 20 0 ADADHO N[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 167820176 1169286128 /nfs/dbraw/zinc/28/61/28/1169286128.db2.gz KICQNKBOOROUKJ-QWRGUYRKSA-N 1 3 180.295 1.518 20 0 ADADHO N[C@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 167820176 1169286134 /nfs/dbraw/zinc/28/61/34/1169286134.db2.gz KICQNKBOOROUKJ-QWRGUYRKSA-N 1 3 180.295 1.518 20 0 ADADHO N[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 167820285 1169286909 /nfs/dbraw/zinc/28/69/09/1169286909.db2.gz KICQNKBOOROUKJ-WDEREUQCSA-N 1 3 180.295 1.518 20 0 ADADHO N[C@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 167820285 1169286918 /nfs/dbraw/zinc/28/69/18/1169286918.db2.gz KICQNKBOOROUKJ-WDEREUQCSA-N 1 3 180.295 1.518 20 0 ADADHO CC[C@@H](C)N1C[C@@H]([NH3+])[C@H](C)C1 723462320 674080079 /nfs/dbraw/zinc/08/00/79/674080079.db2.gz FLGJRKYGGOWYHY-IWSPIJDZSA-N 1 3 156.273 1.064 20 0 ADADHO C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)CC1 235630966 1169418233 /nfs/dbraw/zinc/41/82/33/1169418233.db2.gz RAVLUQQVFHYFPY-QJPTWQEYSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)CC1 235641661 1169418805 /nfs/dbraw/zinc/41/88/05/1169418805.db2.gz RAVLUQQVFHYFPY-SDDRHHMPSA-N 1 3 196.338 1.907 20 0 ADADHO C[NH2+]C[C@@H](C)NC[C@H]1C[C@@H]2C[C@@H]2C1 252800941 1169434100 /nfs/dbraw/zinc/43/41/00/1169434100.db2.gz ZAUOAQLNZCNWTE-CHWFTXMASA-N 1 3 182.311 1.230 20 0 ADADHO C[NH2+]C[C@H](C)NC[C@H]1C[C@@H]2C[C@@H]2C1 252800943 1169434698 /nfs/dbraw/zinc/43/46/98/1169434698.db2.gz ZAUOAQLNZCNWTE-MMWGEVLESA-N 1 3 182.311 1.230 20 0 ADADHO CN(C1CCCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 253180316 1169436509 /nfs/dbraw/zinc/43/65/09/1169436509.db2.gz DEMRIXFBYNNMRI-URLYPYJESA-N 1 3 180.295 1.079 20 0 ADADHO [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CCCOC1 307702010 1169536617 /nfs/dbraw/zinc/53/66/17/1169536617.db2.gz SWQUEMCZNPECNW-GMTAPVOTSA-N 1 3 198.310 1.025 20 0 ADADHO [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CCCOC1 307702013 1169537569 /nfs/dbraw/zinc/53/75/69/1169537569.db2.gz SWQUEMCZNPECNW-HBNTYKKESA-N 1 3 198.310 1.025 20 0 ADADHO CC1(C)CC[C@@H]1[NH2+]CC1(CN)CCC1 379547924 1169586715 /nfs/dbraw/zinc/58/67/15/1169586715.db2.gz YEDUEJXVLIVXQP-JTQLQIEISA-N 1 3 196.338 1.894 20 0 ADADHO CC1(C)CC[C@H]1[NH2+]CC1(CN)CCC1 379547925 1169586903 /nfs/dbraw/zinc/58/69/03/1169586903.db2.gz YEDUEJXVLIVXQP-SNVBAGLBSA-N 1 3 196.338 1.894 20 0 ADADHO CCC1(C)CN(CC2(C[NH3+])CCC2)C1 381916645 1169597244 /nfs/dbraw/zinc/59/72/44/1169597244.db2.gz ZPVSJNYOHOLGIY-UHFFFAOYSA-N 1 3 196.338 1.847 20 0 ADADHO CCC1(C)CN(CC(C)(C)C[NH3+])C1 381911047 1169598411 /nfs/dbraw/zinc/59/84/11/1169598411.db2.gz VUAAABBNGWKASS-UHFFFAOYSA-N 1 3 184.327 1.703 20 0 ADADHO CCC[C@H](C[N@H+](C)[C@H](C)CN)OC 382995314 1169603984 /nfs/dbraw/zinc/60/39/84/1169603984.db2.gz JNZCIHLDLIOBEM-NXEZZACHSA-N 1 3 188.315 1.081 20 0 ADADHO CCC[C@H](C[N@@H+](C)[C@H](C)CN)OC 382995314 1169603987 /nfs/dbraw/zinc/60/39/87/1169603987.db2.gz JNZCIHLDLIOBEM-NXEZZACHSA-N 1 3 188.315 1.081 20 0 ADADHO CCC[C@@H](C[N@H+](C)[C@H](C)CN)OC 382995319 1169604635 /nfs/dbraw/zinc/60/46/35/1169604635.db2.gz JNZCIHLDLIOBEM-ZJUUUORDSA-N 1 3 188.315 1.081 20 0 ADADHO CCC[C@@H](C[N@@H+](C)[C@H](C)CN)OC 382995319 1169604636 /nfs/dbraw/zinc/60/46/36/1169604636.db2.gz JNZCIHLDLIOBEM-ZJUUUORDSA-N 1 3 188.315 1.081 20 0 ADADHO CCC[C@H](C[N@H+](C)[C@@H](C)CN)OC 382995317 1169605518 /nfs/dbraw/zinc/60/55/18/1169605518.db2.gz JNZCIHLDLIOBEM-VHSXEESVSA-N 1 3 188.315 1.081 20 0 ADADHO CCC[C@H](C[N@@H+](C)[C@@H](C)CN)OC 382995317 1169605523 /nfs/dbraw/zinc/60/55/23/1169605523.db2.gz JNZCIHLDLIOBEM-VHSXEESVSA-N 1 3 188.315 1.081 20 0 ADADHO CCC[C@@H](C[N@H+](C)[C@@H](C)CN)OC 382995316 1169605690 /nfs/dbraw/zinc/60/56/90/1169605690.db2.gz JNZCIHLDLIOBEM-UWVGGRQHSA-N 1 3 188.315 1.081 20 0 ADADHO CCC[C@@H](C[N@@H+](C)[C@@H](C)CN)OC 382995316 1169605694 /nfs/dbraw/zinc/60/56/94/1169605694.db2.gz JNZCIHLDLIOBEM-UWVGGRQHSA-N 1 3 188.315 1.081 20 0 ADADHO CC(C)C[C@@H]1C[C@H]1NCC1C[NH2+]C1 385364535 1169612210 /nfs/dbraw/zinc/61/22/10/1169612210.db2.gz WOVZCNWVKVECNB-GHMZBOCLSA-N 1 3 182.311 1.230 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+]C1CC(N)C1 388129140 1169619070 /nfs/dbraw/zinc/61/90/70/1169619070.db2.gz BCRCKPOJXWOARG-XHHQTKHESA-N 1 3 168.284 1.112 20 0 ADADHO CC[C@@H]1C[C@H]1CN[C@H]1CCC[NH2+]C1 387927726 1169619135 /nfs/dbraw/zinc/61/91/35/1169619135.db2.gz URRMGGFXTYWIIW-VWYCJHECSA-N 1 3 182.311 1.374 20 0 ADADHO CC[C@@H]1C[C@H]1CN[C@@H]1CCC[NH2+]C1 387927721 1169619909 /nfs/dbraw/zinc/61/99/09/1169619909.db2.gz URRMGGFXTYWIIW-OUAUKWLOSA-N 1 3 182.311 1.374 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+]CC1(CN)CC1 387810566 1169620158 /nfs/dbraw/zinc/62/01/58/1169620158.db2.gz JXSWREHINHTLCJ-ZJUUUORDSA-N 1 3 182.311 1.361 20 0 ADADHO C[C@@H](C[NH2+]C1CC(C)(C)C1)CN(C)C 389351452 1169638041 /nfs/dbraw/zinc/63/80/41/1169638041.db2.gz OGOWIAPGHCHLJJ-JTQLQIEISA-N 1 3 198.354 1.962 20 0 ADADHO C[C@H](C[NH2+]C1CC(C)(C)C1)CN(C)C 389351453 1169639511 /nfs/dbraw/zinc/63/95/11/1169639511.db2.gz OGOWIAPGHCHLJJ-SNVBAGLBSA-N 1 3 198.354 1.962 20 0 ADADHO CCC1([NH2+]CC2CNC2)CCCCC1 389725813 1169640042 /nfs/dbraw/zinc/64/00/42/1169640042.db2.gz IPRIZHSDJQKYPW-UHFFFAOYSA-N 1 3 196.338 1.908 20 0 ADADHO CC(C)[C@@H](CN)C[NH2+]C1CC(C)(C)C1 395309030 1169653595 /nfs/dbraw/zinc/65/35/95/1169653595.db2.gz WQHLMJRTRXACIX-JTQLQIEISA-N 1 3 198.354 1.996 20 0 ADADHO CC(C)[C@H](CN)C[NH2+]C1CC(C)(C)C1 395309031 1169654628 /nfs/dbraw/zinc/65/46/28/1169654628.db2.gz WQHLMJRTRXACIX-SNVBAGLBSA-N 1 3 198.354 1.996 20 0 ADADHO CC(C)CCN[C@@H]1CC[C@H](C)[NH2+]C1 399082659 1169669869 /nfs/dbraw/zinc/66/98/69/1169669869.db2.gz QEMQGIXHNAZLLN-WDEREUQCSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)CCN[C@H]1CC[C@H](C)[NH2+]C1 399082655 1169671509 /nfs/dbraw/zinc/67/15/09/1169671509.db2.gz QEMQGIXHNAZLLN-QWRGUYRKSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)CCN[C@H]1CC[C@@H](C)[NH2+]C1 399082653 1169671524 /nfs/dbraw/zinc/67/15/24/1169671524.db2.gz QEMQGIXHNAZLLN-MNOVXSKESA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)CCN[C@@H]1CC[C@@H](C)[NH2+]C1 399082649 1169672313 /nfs/dbraw/zinc/67/23/13/1169672313.db2.gz QEMQGIXHNAZLLN-GHMZBOCLSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)(CN)C[NH2+]CC1=CCCC1 400865103 1169676120 /nfs/dbraw/zinc/67/61/20/1169676120.db2.gz ARTGKLGYXCBDSD-UHFFFAOYSA-N 1 3 182.311 1.671 20 0 ADADHO CC/C=C\C[NH2+][C@@H]1CNC[C@H](C)C1 401717261 1169677904 /nfs/dbraw/zinc/67/79/04/1169677904.db2.gz HTAYQAMILCGRIW-KWKBKKAHSA-N 1 3 182.311 1.540 20 0 ADADHO C[C@@]1([NH2+]C[C@@H]2CC=CCC2)CCNC1 402191975 1169678440 /nfs/dbraw/zinc/67/84/40/1169678440.db2.gz BBHKXKWYJPJKNC-VXGBXAGGSA-N 1 3 194.322 1.684 20 0 ADADHO C[C@]1([NH2+]C[C@@H]2CC=CCC2)CCNC1 402191963 1169678790 /nfs/dbraw/zinc/67/87/90/1169678790.db2.gz BBHKXKWYJPJKNC-NEPJUHHUSA-N 1 3 194.322 1.684 20 0 ADADHO CC/C=C/C[NH2+][C@@H]1CNC[C@H](C)C1 401717266 1169679316 /nfs/dbraw/zinc/67/93/16/1169679316.db2.gz HTAYQAMILCGRIW-ZJRFNNFUSA-N 1 3 182.311 1.540 20 0 ADADHO CC/C=C\C[NH2+][C@@H]1CNC[C@@H](C)C1 401717264 1169679521 /nfs/dbraw/zinc/67/95/21/1169679521.db2.gz HTAYQAMILCGRIW-XXJOZFEBSA-N 1 3 182.311 1.540 20 0 ADADHO C[C@@]1([NH2+]C[C@H]2CC=CCC2)CCNC1 402191968 1169679722 /nfs/dbraw/zinc/67/97/22/1169679722.db2.gz BBHKXKWYJPJKNC-NWDGAFQWSA-N 1 3 194.322 1.684 20 0 ADADHO CC(C)(CN)C[NH2+]CCC1(C)CC1 401430452 1169679858 /nfs/dbraw/zinc/67/98/58/1169679858.db2.gz HWSBPNCULVSPNE-UHFFFAOYSA-N 1 3 184.327 1.751 20 0 ADADHO C[C@]1([NH2+]C[C@H]2CC=CCC2)CCNC1 402191972 1169680197 /nfs/dbraw/zinc/68/01/97/1169680197.db2.gz BBHKXKWYJPJKNC-RYUDHWBXSA-N 1 3 194.322 1.684 20 0 ADADHO CC/C=C/C[NH2+][C@@H]1CNC[C@@H](C)C1 401717262 1169680556 /nfs/dbraw/zinc/68/05/56/1169680556.db2.gz HTAYQAMILCGRIW-NNOMMRTBSA-N 1 3 182.311 1.540 20 0 ADADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCC(F)F 405476431 1169684621 /nfs/dbraw/zinc/68/46/21/1169684621.db2.gz MAMIATATJQWJRD-RNFRBKRXSA-N 1 3 192.253 1.357 20 0 ADADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(F)F 405476431 1169684628 /nfs/dbraw/zinc/68/46/28/1169684628.db2.gz MAMIATATJQWJRD-RNFRBKRXSA-N 1 3 192.253 1.357 20 0 ADADHO CC1(C)[C@@H]([NH3+])C[C@H]1NCCC(F)F 405476428 1169685369 /nfs/dbraw/zinc/68/53/69/1169685369.db2.gz MAMIATATJQWJRD-NKWVEPMBSA-N 1 3 192.253 1.357 20 0 ADADHO CC1(C)[C@@H](N)C[C@H]1[NH2+]CCC(F)F 405476428 1169685373 /nfs/dbraw/zinc/68/53/73/1169685373.db2.gz MAMIATATJQWJRD-NKWVEPMBSA-N 1 3 192.253 1.357 20 0 ADADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(F)F 405476426 1169685555 /nfs/dbraw/zinc/68/55/55/1169685555.db2.gz MAMIATATJQWJRD-BQBZGAKWSA-N 1 3 192.253 1.357 20 0 ADADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCC(F)F 405476426 1169685547 /nfs/dbraw/zinc/68/55/47/1169685547.db2.gz MAMIATATJQWJRD-BQBZGAKWSA-N 1 3 192.253 1.357 20 0 ADADHO CC1(C)[C@@H](NCCC(F)F)C[C@H]1[NH3+] 405476433 1169687160 /nfs/dbraw/zinc/68/71/60/1169687160.db2.gz MAMIATATJQWJRD-RQJHMYQMSA-N 1 3 192.253 1.357 20 0 ADADHO CC1(C)[C@@H]([NH2+]CCC(F)F)C[C@H]1N 405476433 1169687164 /nfs/dbraw/zinc/68/71/64/1169687164.db2.gz MAMIATATJQWJRD-RQJHMYQMSA-N 1 3 192.253 1.357 20 0 ADADHO CC1(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 1254228288 1169861840 /nfs/dbraw/zinc/86/18/40/1169861840.db2.gz HZZMANZCCUSSOR-WDEREUQCSA-N 1 3 194.322 1.755 20 0 ADADHO CC1(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 1254228285 1169860622 /nfs/dbraw/zinc/86/06/22/1169860622.db2.gz HZZMANZCCUSSOR-MNOVXSKESA-N 1 3 194.322 1.755 20 0 ADADHO CC1(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 1254228285 1169860633 /nfs/dbraw/zinc/86/06/33/1169860633.db2.gz HZZMANZCCUSSOR-MNOVXSKESA-N 1 3 194.322 1.755 20 0 ADADHO CC1(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 1254228286 1169861457 /nfs/dbraw/zinc/86/14/57/1169861457.db2.gz HZZMANZCCUSSOR-QWRGUYRKSA-N 1 3 194.322 1.755 20 0 ADADHO CC1(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 1254228286 1169861470 /nfs/dbraw/zinc/86/14/70/1169861470.db2.gz HZZMANZCCUSSOR-QWRGUYRKSA-N 1 3 194.322 1.755 20 0 ADADHO CC1(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 1254228288 1169861825 /nfs/dbraw/zinc/86/18/25/1169861825.db2.gz HZZMANZCCUSSOR-WDEREUQCSA-N 1 3 194.322 1.755 20 0 ADADHO CC1(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 1254228265 1169862496 /nfs/dbraw/zinc/86/24/96/1169862496.db2.gz HZZMANZCCUSSOR-GHMZBOCLSA-N 1 3 194.322 1.755 20 0 ADADHO CC1(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 1254228265 1169862510 /nfs/dbraw/zinc/86/25/10/1169862510.db2.gz HZZMANZCCUSSOR-GHMZBOCLSA-N 1 3 194.322 1.755 20 0 ADADHO CC[C@@H]1C[N@H+](CC2CCC2)CC[C@@H]1N 157895395 566269570 /nfs/dbraw/zinc/26/95/70/566269570.db2.gz OSTYIDDEJUWLPX-NEPJUHHUSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H]1C[N@@H+](CC2CCC2)CC[C@@H]1N 157895395 566269576 /nfs/dbraw/zinc/26/95/76/566269576.db2.gz OSTYIDDEJUWLPX-NEPJUHHUSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H]1CN(CC2CCC2)CC[C@@H]1[NH3+] 157895395 566269582 /nfs/dbraw/zinc/26/95/82/566269582.db2.gz OSTYIDDEJUWLPX-NEPJUHHUSA-N 1 3 196.338 1.846 20 0 ADADHO CCCC[N@@H+]1CC[C@@H](N)[C@H](CC)C1 157893634 566270627 /nfs/dbraw/zinc/27/06/27/566270627.db2.gz OUVJYMWCEHKUPE-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CCCC[N@H+]1CC[C@@H](N)[C@H](CC)C1 157893634 566270634 /nfs/dbraw/zinc/27/06/34/566270634.db2.gz OUVJYMWCEHKUPE-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCN1CC[C@@H]([NH3+])[C@H](CC)C1 157893634 566270638 /nfs/dbraw/zinc/27/06/38/566270638.db2.gz OUVJYMWCEHKUPE-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CCCC[N@@H+]1CC[C@H](N)[C@H](CC)C1 157893479 566270719 /nfs/dbraw/zinc/27/07/19/566270719.db2.gz OUVJYMWCEHKUPE-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CCCC[N@H+]1CC[C@H](N)[C@H](CC)C1 157893479 566270723 /nfs/dbraw/zinc/27/07/23/566270723.db2.gz OUVJYMWCEHKUPE-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CCCCN1CC[C@H]([NH3+])[C@H](CC)C1 157893479 566270728 /nfs/dbraw/zinc/27/07/28/566270728.db2.gz OUVJYMWCEHKUPE-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CC[C@H](C)CN1C[C@@H]2C[NH2+]C[C@H]2C1 252562247 566287261 /nfs/dbraw/zinc/28/72/61/566287261.db2.gz WNSMBAWUZBSKIA-DCAQKATOSA-N 1 3 182.311 1.184 20 0 ADADHO C[C@@H]1CC[N@H+](CCCN)CC1(C)C 334833836 566301593 /nfs/dbraw/zinc/30/15/93/566301593.db2.gz TVEAKLAOYHVZCC-SNVBAGLBSA-N 1 3 184.327 1.703 20 0 ADADHO C[C@@H]1CC[N@@H+](CCCN)CC1(C)C 334833836 566301600 /nfs/dbraw/zinc/30/16/00/566301600.db2.gz TVEAKLAOYHVZCC-SNVBAGLBSA-N 1 3 184.327 1.703 20 0 ADADHO C[C@@H]1CCN(CCC[NH3+])CC1(C)C 334833836 566301608 /nfs/dbraw/zinc/30/16/08/566301608.db2.gz TVEAKLAOYHVZCC-SNVBAGLBSA-N 1 3 184.327 1.703 20 0 ADADHO CC(CN1CCCC1)C[NH+]1CCCC1 1319300824 1170199532 /nfs/dbraw/zinc/19/95/32/1170199532.db2.gz PJYFWIKZDAKTIM-UHFFFAOYSA-N 1 3 196.338 1.814 20 0 ADADHO C[C@H](CC(C)(C)C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1331836524 1170296236 /nfs/dbraw/zinc/29/62/36/1170296236.db2.gz XFELXERUVFMWPN-ZNSHCXBVSA-N 1 3 196.338 1.619 20 0 ADADHO C[C@@H](CC(C)(C)C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1331836523 1170296463 /nfs/dbraw/zinc/29/64/63/1170296463.db2.gz XFELXERUVFMWPN-UKKRHICBSA-N 1 3 196.338 1.619 20 0 ADADHO CC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)C1 1356049684 1170555719 /nfs/dbraw/zinc/55/57/19/1170555719.db2.gz LYJHJLVBSHJRLP-QPGSTUFLSA-N 1 3 180.295 1.267 20 0 ADADHO C1C[NH2+]C[C@@H](NC[C@@]23CCC[C@@H]2C3)C1 1574799088 1170682296 /nfs/dbraw/zinc/68/22/96/1170682296.db2.gz COWDDKJITBLCJF-WOPDTQHZSA-N 1 3 194.322 1.518 20 0 ADADHO CC(C)(CN)C[NH2+]C[C@H]1C=CCC1 1575315782 1170686972 /nfs/dbraw/zinc/68/69/72/1170686972.db2.gz YNLUPBOYGDEHTG-JTQLQIEISA-N 1 3 182.311 1.527 20 0 ADADHO CC(C)(C[NH3+])NC[C@H]1CCC=CO1 1575318484 1170687613 /nfs/dbraw/zinc/68/76/13/1170687613.db2.gz URDAEUQUHSTICH-SECBINFHSA-N 1 3 184.283 1.006 20 0 ADADHO CC(C)=CCN1C[C@H]2CC[NH2+]C[C@H]2C1 1575391565 1170687784 /nfs/dbraw/zinc/68/77/84/1170687784.db2.gz OFIJMIPZZAFFPJ-NEPJUHHUSA-N 1 3 194.322 1.494 20 0 ADADHO CC(C)[C@H]1CC[C@H]1[NH2+][C@H]1C[C@@H](N)C1 1575498908 1170688025 /nfs/dbraw/zinc/68/80/25/1170688025.db2.gz PTPGMKDFYZGPGO-LMLFDSFASA-N 1 3 182.311 1.500 20 0 ADADHO CC(C)(CN)C[NH2+]C[C@@H]1C=CCC1 1575315793 1170688174 /nfs/dbraw/zinc/68/81/74/1170688174.db2.gz YNLUPBOYGDEHTG-SNVBAGLBSA-N 1 3 182.311 1.527 20 0 ADADHO CC(C)C1CC([NH2+][C@H]2C[C@@H](N)C2)C1 1575498858 1170688208 /nfs/dbraw/zinc/68/82/08/1170688208.db2.gz OVTWFTVTPSTWOM-WHTULNAYSA-N 1 3 182.311 1.500 20 0 ADADHO CC(C)C1CC(N[C@H]2C[C@@H]([NH3+])C2)C1 1575498858 1170688210 /nfs/dbraw/zinc/68/82/10/1170688210.db2.gz OVTWFTVTPSTWOM-WHTULNAYSA-N 1 3 182.311 1.500 20 0 ADADHO CC(C)C1(CN[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 1575473991 1170688226 /nfs/dbraw/zinc/68/82/26/1170688226.db2.gz ARXSFKVTHWZORH-URLYPYJESA-N 1 3 194.322 1.230 20 0 ADADHO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](N)C1 1575498912 1170688274 /nfs/dbraw/zinc/68/82/74/1170688274.db2.gz PTPGMKDFYZGPGO-YTWAJWBKSA-N 1 3 182.311 1.500 20 0 ADADHO CC(C)(C[NH3+])NC[C@@H]1CCC=CO1 1575318496 1170689106 /nfs/dbraw/zinc/68/91/06/1170689106.db2.gz URDAEUQUHSTICH-VIFPVBQESA-N 1 3 184.283 1.006 20 0 ADADHO CC(C)(CN)C[NH2+]CCC1CC=CC1 1575314958 1170689139 /nfs/dbraw/zinc/68/91/39/1170689139.db2.gz FQZZXNYUVKMHIW-UHFFFAOYSA-N 1 3 196.338 1.917 20 0 ADADHO CC(C)(C)C[C@@H]1C[C@H]1NCC1C[NH2+]C1 1575136591 1170689159 /nfs/dbraw/zinc/68/91/59/1170689159.db2.gz YDSFLVADRYNARY-WDEREUQCSA-N 1 3 196.338 1.620 20 0 ADADHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@@H](N)C1 1575498914 1170689167 /nfs/dbraw/zinc/68/91/67/1170689167.db2.gz PTPGMKDFYZGPGO-ZRUFSTJUSA-N 1 3 182.311 1.500 20 0 ADADHO CC(C)CCC[NH2+][C@H]1C[C@@H](N)C1 1575569967 1170689414 /nfs/dbraw/zinc/68/94/14/1170689414.db2.gz DUXLFUIEWNOZIV-AOOOYVTPSA-N 1 3 170.300 1.502 20 0 ADADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](N)C1 1575498909 1170689468 /nfs/dbraw/zinc/68/94/68/1170689468.db2.gz PTPGMKDFYZGPGO-VLEAKVRGSA-N 1 3 182.311 1.500 20 0 ADADHO CC(C)OC1CC(N[C@H]2C[C@H]([NH3+])C2)C1 1575748228 1170690249 /nfs/dbraw/zinc/69/02/49/1170690249.db2.gz AEJHRBIOKHPZTO-YMJNLTAUSA-N 1 3 198.310 1.022 20 0 ADADHO CC(C)[C@@H]1C[C@H]1C[NH2+]C1CC(N)C1 1575829114 1170690649 /nfs/dbraw/zinc/69/06/49/1170690649.db2.gz VFYBEMDIBLEJRO-PMUOWJKOSA-N 1 3 182.311 1.358 20 0 ADADHO C[C@@H](CC1CC1)[NH2+][C@H]1CCN[C@@H]1C 1575934944 1170690779 /nfs/dbraw/zinc/69/07/79/1170690779.db2.gz USHMPQORNMDWTP-NGZCFLSTSA-N 1 3 182.311 1.515 20 0 ADADHO C[C@H](CCN)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 1575962868 1170690922 /nfs/dbraw/zinc/69/09/22/1170690922.db2.gz ZEDBIJPILTUGQV-CHWFTXMASA-N 1 3 182.311 1.502 20 0 ADADHO CC(C)[C@@H]1C[C@H]1[NH2+]CC1(CN)CC1 1575831536 1170691005 /nfs/dbraw/zinc/69/10/05/1170691005.db2.gz YYWOXBJKJXRCFS-VHSXEESVSA-N 1 3 182.311 1.359 20 0 ADADHO C[C@H](CC1CC1)[NH2+][C@H]1CCN[C@@H]1C 1575934943 1170691020 /nfs/dbraw/zinc/69/10/20/1170691020.db2.gz USHMPQORNMDWTP-KKZNHRDASA-N 1 3 182.311 1.515 20 0 ADADHO C[C@@H](CCN)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 1575962873 1170691069 /nfs/dbraw/zinc/69/10/69/1170691069.db2.gz ZEDBIJPILTUGQV-ZRUFSTJUSA-N 1 3 182.311 1.502 20 0 ADADHO C[C@H](CCN)[NH2+][C@H]1CCC[C@@H]2C[C@H]12 1575962871 1170691133 /nfs/dbraw/zinc/69/11/33/1170691133.db2.gz ZEDBIJPILTUGQV-ZNSHCXBVSA-N 1 3 182.311 1.502 20 0 ADADHO C[C@@H](CCN)[NH2+][C@H]1CCC[C@@H]2C[C@H]12 1575962869 1170691778 /nfs/dbraw/zinc/69/17/78/1170691778.db2.gz ZEDBIJPILTUGQV-VLEAKVRGSA-N 1 3 182.311 1.502 20 0 ADADHO CC(C)[C@@H]1C[C@H]1NC[C@]12C[NH2+]C[C@H]1C2 1575831485 1170691945 /nfs/dbraw/zinc/69/19/45/1170691945.db2.gz WGCHIYTVWDHNNX-KXNHARMFSA-N 1 3 194.322 1.230 20 0 ADADHO CC(C)[C@@H]1C[C@H]1NCC(C)(C)[NH3+] 1575831448 1170692312 /nfs/dbraw/zinc/69/23/12/1170692312.db2.gz TWQZEFKGXPDCJW-DTWKUNHWSA-N 1 3 170.300 1.358 20 0 ADADHO CC(C)[C@@H]1C[C@H]1NC[C@@]12C[NH2+]C[C@@H]1C2 1575831486 1170692378 /nfs/dbraw/zinc/69/23/78/1170692378.db2.gz WGCHIYTVWDHNNX-NNYUYHANSA-N 1 3 194.322 1.230 20 0 ADADHO CC(C)OC[C@H](C)NC(C)(C)C[NH3+] 1576039307 1170694308 /nfs/dbraw/zinc/69/43/08/1170694308.db2.gz BYEJATCIWOVSCG-VIFPVBQESA-N 1 3 188.315 1.127 20 0 ADADHO CC(C)OC[C@@H](C)NC(C)(C)C[NH3+] 1576039303 1170694842 /nfs/dbraw/zinc/69/48/42/1170694842.db2.gz BYEJATCIWOVSCG-SECBINFHSA-N 1 3 188.315 1.127 20 0 ADADHO C[C@@H](N[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC1(F)F 1576253216 1170696075 /nfs/dbraw/zinc/69/60/75/1170696075.db2.gz WNQOUANRCZUGDU-NGJRWZKOSA-N 1 3 190.237 1.109 20 0 ADADHO C[C@@H]([NH2+][C@H]1C[C@@H](N)C1)C1CCC1 1576250247 1170696115 /nfs/dbraw/zinc/69/61/15/1170696115.db2.gz DEJARIFRVNDQBK-QNSHHTMESA-N 1 3 168.284 1.254 20 0 ADADHO C[C@H](NC(C)(C)C[NH3+])[C@H]1CC1(F)F 1576233647 1170696137 /nfs/dbraw/zinc/69/61/37/1170696137.db2.gz IMJFJWTWPREYNL-NKWVEPMBSA-N 1 3 192.253 1.357 20 0 ADADHO C[C@@H](N[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCCO1 1576252447 1170696166 /nfs/dbraw/zinc/69/61/66/1170696166.db2.gz RNHKANSUUMJBDF-GWOFURMSSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@@H](NC[C@H]1CC[NH2+]1)C1CCCC1 1576246154 1170696503 /nfs/dbraw/zinc/69/65/03/1170696503.db2.gz UKDDIFPNFYTQOW-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](NC[C@@H]1CC[NH2+]1)C1CCCC1 1576246158 1170696833 /nfs/dbraw/zinc/69/68/33/1170696833.db2.gz UKDDIFPNFYTQOW-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](N[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCCO1 1576252455 1170697122 /nfs/dbraw/zinc/69/71/22/1170697122.db2.gz RNHKANSUUMJBDF-ZNSHCXBVSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@@H](NC(C)(C)C[NH3+])[C@H]1CC1(F)F 1576233648 1170697199 /nfs/dbraw/zinc/69/71/99/1170697199.db2.gz IMJFJWTWPREYNL-RNFRBKRXSA-N 1 3 192.253 1.357 20 0 ADADHO C[C@H](NC(C)(C)C[NH3+])[C@@H]1CC1(F)F 1576233646 1170697307 /nfs/dbraw/zinc/69/73/07/1170697307.db2.gz IMJFJWTWPREYNL-BQBZGAKWSA-N 1 3 192.253 1.357 20 0 ADADHO C[C@H](N[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCCO1 1576252452 1170697354 /nfs/dbraw/zinc/69/73/54/1170697354.db2.gz RNHKANSUUMJBDF-UKKRHICBSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@@H](NC[C@@H]1CC[NH2+]1)C1CCCC1 1576246151 1170697399 /nfs/dbraw/zinc/69/73/99/1170697399.db2.gz UKDDIFPNFYTQOW-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](NC(C)(C)C[NH3+])[C@@H]1CC1(F)F 1576233649 1170697408 /nfs/dbraw/zinc/69/74/08/1170697408.db2.gz IMJFJWTWPREYNL-RQJHMYQMSA-N 1 3 192.253 1.357 20 0 ADADHO C[C@H](N[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCCO1 1576252449 1170697449 /nfs/dbraw/zinc/69/74/49/1170697449.db2.gz RNHKANSUUMJBDF-MMWGEVLESA-N 1 3 198.310 1.023 20 0 ADADHO C[C@@H](N[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCCO1 1576252444 1170697456 /nfs/dbraw/zinc/69/74/56/1170697456.db2.gz RNHKANSUUMJBDF-CHWFTXMASA-N 1 3 198.310 1.023 20 0 ADADHO C[C@H]([NH2+][C@H]1C[C@@H](N)C1)C1CCC1 1576250252 1170697576 /nfs/dbraw/zinc/69/75/76/1170697576.db2.gz DEJARIFRVNDQBK-UJNFCWOMSA-N 1 3 168.284 1.254 20 0 ADADHO C[C@H](N[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC1(F)F 1576253218 1170697649 /nfs/dbraw/zinc/69/76/49/1170697649.db2.gz WNQOUANRCZUGDU-RULNZFCNSA-N 1 3 190.237 1.109 20 0 ADADHO C[C@H](N[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCCO1 1576252454 1170697715 /nfs/dbraw/zinc/69/77/15/1170697715.db2.gz RNHKANSUUMJBDF-XWLWVQCSSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@H](N[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC1(F)F 1576253215 1170698079 /nfs/dbraw/zinc/69/80/79/1170698079.db2.gz WNQOUANRCZUGDU-HSNKUXOKSA-N 1 3 190.237 1.109 20 0 ADADHO C[C@@H](N[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCCO1 1576252446 1170698431 /nfs/dbraw/zinc/69/84/31/1170698431.db2.gz RNHKANSUUMJBDF-DBIOUOCHSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@@H](N[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC1(F)F 1576253217 1170698437 /nfs/dbraw/zinc/69/84/37/1170698437.db2.gz WNQOUANRCZUGDU-OOJXKGFFSA-N 1 3 190.237 1.109 20 0 ADADHO C[C@H](NC[C@H]1CC[NH2+]1)C1CCCC1 1576246144 1170698445 /nfs/dbraw/zinc/69/84/45/1170698445.db2.gz UKDDIFPNFYTQOW-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](N[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCCO1 1576252451 1170698449 /nfs/dbraw/zinc/69/84/49/1170698449.db2.gz RNHKANSUUMJBDF-NAKRPEOUSA-N 1 3 198.310 1.023 20 0 ADADHO CC1(C)CC[C@@H]([NH2+][C@H]2C[C@@H](N)C2)C1 1576421517 1170698945 /nfs/dbraw/zinc/69/89/45/1170698945.db2.gz NCVSIVOUZWCMFP-BBBLOLIVSA-N 1 3 182.311 1.644 20 0 ADADHO CC1(C)C[C@@H]([NH2+][C@H]2C[C@@H](N)C2)CCO1 1576395103 1170699048 /nfs/dbraw/zinc/69/90/48/1170699048.db2.gz XPXIVAFUSKLGGK-LPEHRKFASA-N 1 3 198.310 1.023 20 0 ADADHO CC1(C)C[C@H]([NH2+][C@H]2C[C@@H](N)C2)CCO1 1576395099 1170699447 /nfs/dbraw/zinc/69/94/47/1170699447.db2.gz XPXIVAFUSKLGGK-BBBLOLIVSA-N 1 3 198.310 1.023 20 0 ADADHO CC1(C)C[C@H]([NH2+][C@H]2C[C@H](N)C2)CCO1 1576395104 1170699956 /nfs/dbraw/zinc/69/99/56/1170699956.db2.gz XPXIVAFUSKLGGK-OPRDCNLKSA-N 1 3 198.310 1.023 20 0 ADADHO CC1(C)CC[C@H]([NH2+][C@H]2C[C@@H](N)C2)C1 1576421519 1170699989 /nfs/dbraw/zinc/69/99/89/1170699989.db2.gz NCVSIVOUZWCMFP-LPEHRKFASA-N 1 3 182.311 1.644 20 0 ADADHO CC1(C)C[C@@H]([NH2+][C@H]2C[C@H](N)C2)CCO1 1576395101 1170700154 /nfs/dbraw/zinc/70/01/54/1170700154.db2.gz XPXIVAFUSKLGGK-GUBZILKMSA-N 1 3 198.310 1.023 20 0 ADADHO CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CC1 1576526426 1170701939 /nfs/dbraw/zinc/70/19/39/1170701939.db2.gz RQHBHTPXZNFFMU-KXUCPTDWSA-N 1 3 180.295 1.269 20 0 ADADHO CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H]2N3)CC1 1576526427 1170702019 /nfs/dbraw/zinc/70/20/19/1170702019.db2.gz RQHBHTPXZNFFMU-UTLUCORTSA-N 1 3 180.295 1.269 20 0 ADADHO C[C@]1(CNCC2([NH3+])CC2)CCCCO1 1576520163 1170702339 /nfs/dbraw/zinc/70/23/39/1170702339.db2.gz ZUZTVMRYHPRFCU-SNVBAGLBSA-N 1 3 198.310 1.027 20 0 ADADHO C[C@]1(CN[C@H]2C[C@@H]([NH3+])C2)CCCCO1 1576526451 1170702459 /nfs/dbraw/zinc/70/24/59/1170702459.db2.gz SJISSKSKDMHTQA-OUAUKWLOSA-N 1 3 198.310 1.025 20 0 ADADHO C[C@]1(CN[C@H]2C[C@H]([NH3+])C2)CCCCO1 1576526450 1170702705 /nfs/dbraw/zinc/70/27/05/1170702705.db2.gz SJISSKSKDMHTQA-GMTAPVOTSA-N 1 3 198.310 1.025 20 0 ADADHO C[C@@]1(CNCC2([NH3+])CC2)CCCCO1 1576520162 1170702878 /nfs/dbraw/zinc/70/28/78/1170702878.db2.gz ZUZTVMRYHPRFCU-JTQLQIEISA-N 1 3 198.310 1.027 20 0 ADADHO C[C@@]1(CN[C@H]2C[C@@H]([NH3+])C2)CCCCO1 1576526448 1170703146 /nfs/dbraw/zinc/70/31/46/1170703146.db2.gz SJISSKSKDMHTQA-AXFHLTTASA-N 1 3 198.310 1.025 20 0 ADADHO CC1(C[NH2+][C@H]2C[C@@H](N)C2)CCCC1 1576526663 1170704033 /nfs/dbraw/zinc/70/40/33/1170704033.db2.gz WIRLKHYPJKLMGQ-AOOOYVTPSA-N 1 3 182.311 1.646 20 0 ADADHO C[C@@]1(CN[C@H]2C[C@H]([NH3+])C2)CCCCO1 1576526449 1170704173 /nfs/dbraw/zinc/70/41/73/1170704173.db2.gz SJISSKSKDMHTQA-DCAQKATOSA-N 1 3 198.310 1.025 20 0 ADADHO C[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 1576668971 1170705015 /nfs/dbraw/zinc/70/50/15/1170705015.db2.gz JUYYZSYSRHCCMA-UNQZSWDGSA-N 1 3 180.295 1.267 20 0 ADADHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 1576668972 1170705071 /nfs/dbraw/zinc/70/50/71/1170705071.db2.gz JUYYZSYSRHCCMA-UVOCVTCTSA-N 1 3 180.295 1.267 20 0 ADADHO C[C@H]1CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 1576668966 1170705113 /nfs/dbraw/zinc/70/51/13/1170705113.db2.gz JUYYZSYSRHCCMA-GEVSDDDWSA-N 1 3 180.295 1.267 20 0 ADADHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 1576668969 1170705318 /nfs/dbraw/zinc/70/53/18/1170705318.db2.gz JUYYZSYSRHCCMA-SAVGLBRCSA-N 1 3 180.295 1.267 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 1576632640 1170705341 /nfs/dbraw/zinc/70/53/41/1170705341.db2.gz HIIYPIDHOGIURA-NZHYYXIDSA-N 1 3 180.295 1.125 20 0 ADADHO C[C@H]1C[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 1576632636 1170705668 /nfs/dbraw/zinc/70/56/68/1170705668.db2.gz HIIYPIDHOGIURA-HHKYUTTNSA-N 1 3 180.295 1.125 20 0 ADADHO C[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 1576668965 1170705817 /nfs/dbraw/zinc/70/58/17/1170705817.db2.gz JUYYZSYSRHCCMA-APLZJWDSSA-N 1 3 180.295 1.267 20 0 ADADHO C[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 1576668967 1170706141 /nfs/dbraw/zinc/70/61/41/1170706141.db2.gz JUYYZSYSRHCCMA-HPENLJRUSA-N 1 3 180.295 1.267 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](N)C1 1576681931 1170706235 /nfs/dbraw/zinc/70/62/35/1170706235.db2.gz QDILKDNDBMGHFM-KYXWUPHJSA-N 1 3 168.284 1.254 20 0 ADADHO C[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 1576668970 1170706346 /nfs/dbraw/zinc/70/63/46/1170706346.db2.gz JUYYZSYSRHCCMA-SSRBZLIGSA-N 1 3 180.295 1.267 20 0 ADADHO C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](N)C1 1576681932 1170706650 /nfs/dbraw/zinc/70/66/50/1170706650.db2.gz QDILKDNDBMGHFM-XKNYDFJKSA-N 1 3 168.284 1.254 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](N)C1 1576681933 1170706714 /nfs/dbraw/zinc/70/67/14/1170706714.db2.gz QDILKDNDBMGHFM-ZYUZMQFOSA-N 1 3 168.284 1.254 20 0 ADADHO C[C@H]1C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 1576632633 1170706933 /nfs/dbraw/zinc/70/69/33/1170706933.db2.gz HIIYPIDHOGIURA-GEVSDDDWSA-N 1 3 180.295 1.125 20 0 ADADHO C[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 1576668968 1170707016 /nfs/dbraw/zinc/70/70/16/1170707016.db2.gz JUYYZSYSRHCCMA-MVCUBJFGSA-N 1 3 180.295 1.267 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 1576632638 1170707047 /nfs/dbraw/zinc/70/70/47/1170707047.db2.gz HIIYPIDHOGIURA-MVCUBJFGSA-N 1 3 180.295 1.125 20 0 ADADHO C[C@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 1576632644 1170707224 /nfs/dbraw/zinc/70/72/24/1170707224.db2.gz HIIYPIDHOGIURA-UNQZSWDGSA-N 1 3 180.295 1.125 20 0 ADADHO C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](N)C1 1576681930 1170707275 /nfs/dbraw/zinc/70/72/75/1170707275.db2.gz QDILKDNDBMGHFM-AATLWQCWSA-N 1 3 168.284 1.254 20 0 ADADHO C[C@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 1576632643 1170707303 /nfs/dbraw/zinc/70/73/03/1170707303.db2.gz HIIYPIDHOGIURA-QUARPLMYSA-N 1 3 180.295 1.125 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 1576632647 1170707694 /nfs/dbraw/zinc/70/76/94/1170707694.db2.gz HIIYPIDHOGIURA-XXFSISAASA-N 1 3 180.295 1.125 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 1576632631 1170707747 /nfs/dbraw/zinc/70/77/47/1170707747.db2.gz HIIYPIDHOGIURA-APLZJWDSSA-N 1 3 180.295 1.125 20 0 ADADHO CC[C@]1(C)CCC[C@H]1NC[C@@H]1CC[NH2+]1 1577204952 1170711813 /nfs/dbraw/zinc/71/18/13/1170711813.db2.gz DXLMIHZASMHTDZ-QJPTWQEYSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@]1(C)CCC[C@@H]1NC[C@H]1CC[NH2+]1 1577204950 1170711844 /nfs/dbraw/zinc/71/18/44/1170711844.db2.gz DXLMIHZASMHTDZ-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H](C)C[NH2+][C@H]1C[C@@H](N)C1 1576992441 1170712077 /nfs/dbraw/zinc/71/20/77/1170712077.db2.gz MTDSNWMLKTUPJT-XHNCKOQMSA-N 1 3 156.273 1.112 20 0 ADADHO CC[C@H](C)CN(C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1576984619 1170712226 /nfs/dbraw/zinc/71/22/26/1170712226.db2.gz LBUUYMPHJPTEMR-UKKRHICBSA-N 1 3 182.311 1.182 20 0 ADADHO CC[C@H]1C[C@H]([NH2+][C@H]2C[C@H](N)C2)CCO1 1577240837 1170712298 /nfs/dbraw/zinc/71/22/98/1170712298.db2.gz NHRRCXMPNOXRBB-DBIOUOCHSA-N 1 3 198.310 1.023 20 0 ADADHO CC[C@H](C)CC[NH2+]CC1(CN)CC1 1576985425 1170712311 /nfs/dbraw/zinc/71/23/11/1170712311.db2.gz VTWLYTRCWNWIAP-JTQLQIEISA-N 1 3 184.327 1.751 20 0 ADADHO CC[C@H](C)C[NH2+][C@H]1CCN[C@@H]1C 1576991986 1170712444 /nfs/dbraw/zinc/71/24/44/1170712444.db2.gz KWTAKVZBRFDRCV-AEJSXWLSSA-N 1 3 170.300 1.373 20 0 ADADHO CC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](N)C2)CCO1 1577240839 1170712468 /nfs/dbraw/zinc/71/24/68/1170712468.db2.gz NHRRCXMPNOXRBB-NAKRPEOUSA-N 1 3 198.310 1.023 20 0 ADADHO CC[C@@H](C)C[NH2+][C@H]1CCN[C@@H]1C 1576991987 1170713006 /nfs/dbraw/zinc/71/30/06/1170713006.db2.gz KWTAKVZBRFDRCV-BBBLOLIVSA-N 1 3 170.300 1.373 20 0 ADADHO CCC(CC)C[NH2+][C@H]1C[C@@H](N)C1 1577069682 1170713072 /nfs/dbraw/zinc/71/30/72/1170713072.db2.gz QJCKWCVGITVIEG-AOOOYVTPSA-N 1 3 170.300 1.502 20 0 ADADHO CC[C@]1(C)CCC[C@@H]1NC[C@@H]1CC[NH2+]1 1577204953 1170713447 /nfs/dbraw/zinc/71/34/47/1170713447.db2.gz DXLMIHZASMHTDZ-SDDRHHMPSA-N 1 3 196.338 1.907 20 0 ADADHO CCC(CC)C[NH2+][C@@H]1CNCC12CC2 1577069522 1170713636 /nfs/dbraw/zinc/71/36/36/1170713636.db2.gz BYDIAKSCAZPTQY-LLVKDONJSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](N)C2)CCO1 1577240840 1170713844 /nfs/dbraw/zinc/71/38/44/1170713844.db2.gz NHRRCXMPNOXRBB-XWLWVQCSSA-N 1 3 198.310 1.023 20 0 ADADHO CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](N)C2)CCO1 1577240838 1170714066 /nfs/dbraw/zinc/71/40/66/1170714066.db2.gz NHRRCXMPNOXRBB-GWOFURMSSA-N 1 3 198.310 1.023 20 0 ADADHO CC[C@]1(C)CCC[C@H]1NC[C@H]1CC[NH2+]1 1577204951 1170714140 /nfs/dbraw/zinc/71/41/40/1170714140.db2.gz DXLMIHZASMHTDZ-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H](C)C[NH2+][C@H]1C[C@@H](N)C1 1576992440 1170714238 /nfs/dbraw/zinc/71/42/38/1170714238.db2.gz MTDSNWMLKTUPJT-HLTSFMKQSA-N 1 3 156.273 1.112 20 0 ADADHO CCC(CC)C[NH2+][C@H]1CNCC12CC2 1577069523 1170714341 /nfs/dbraw/zinc/71/43/41/1170714341.db2.gz BYDIAKSCAZPTQY-NSHDSACASA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@@H](C)CC[NH2+]CC1(CN)CC1 1576985427 1170714426 /nfs/dbraw/zinc/71/44/26/1170714426.db2.gz VTWLYTRCWNWIAP-SNVBAGLBSA-N 1 3 184.327 1.751 20 0 ADADHO CC[C@@H](C)CN(C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1576984620 1170714535 /nfs/dbraw/zinc/71/45/35/1170714535.db2.gz LBUUYMPHJPTEMR-ZNSHCXBVSA-N 1 3 182.311 1.182 20 0 ADADHO CC[C@H]1CC[N@H+](CC2CNC2)[C@@H]1C 1577262099 1170715225 /nfs/dbraw/zinc/71/52/25/1170715225.db2.gz CWMCBWFYLJRJFE-KOLCDFICSA-N 1 3 182.311 1.326 20 0 ADADHO CC[C@H]1CC[N@@H+](CC2CNC2)[C@@H]1C 1577262099 1170715235 /nfs/dbraw/zinc/71/52/35/1170715235.db2.gz CWMCBWFYLJRJFE-KOLCDFICSA-N 1 3 182.311 1.326 20 0 ADADHO CCCC[C@@H](C)[NH2+][C@H]1C[C@@H](N)C1 1577387945 1170715255 /nfs/dbraw/zinc/71/52/55/1170715255.db2.gz CKACJOHRQNZMHK-BBBLOLIVSA-N 1 3 170.300 1.644 20 0 ADADHO CC[C@@H]1CC[C@H]1N[C@@H]1CCC[NH2+][C@@H]1C 1577246851 1170715918 /nfs/dbraw/zinc/71/59/18/1170715918.db2.gz UHBCKVZUEMVIQB-DDHJBXDOSA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@H]1CC[C@H]1N[C@@H]1CCC[NH2+][C@@H]1C 1577246853 1170716047 /nfs/dbraw/zinc/71/60/47/1170716047.db2.gz UHBCKVZUEMVIQB-WRWGMCAJSA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@H]1CC[N@H+](CC2CNC2)[C@H]1C 1577262101 1170716190 /nfs/dbraw/zinc/71/61/90/1170716190.db2.gz CWMCBWFYLJRJFE-ONGXEEELSA-N 1 3 182.311 1.326 20 0 ADADHO CC[C@H]1CC[N@@H+](CC2CNC2)[C@H]1C 1577262101 1170716193 /nfs/dbraw/zinc/71/61/93/1170716193.db2.gz CWMCBWFYLJRJFE-ONGXEEELSA-N 1 3 182.311 1.326 20 0 ADADHO CC[C@H]1CC[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C 1577246852 1170716653 /nfs/dbraw/zinc/71/66/53/1170716653.db2.gz UHBCKVZUEMVIQB-KXNHARMFSA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@@H]1CC[N@H+](CC2CNC2)[C@@H]1C 1577262100 1170716776 /nfs/dbraw/zinc/71/67/76/1170716776.db2.gz CWMCBWFYLJRJFE-MWLCHTKSSA-N 1 3 182.311 1.326 20 0 ADADHO CC[C@@H]1CC[N@@H+](CC2CNC2)[C@@H]1C 1577262100 1170716778 /nfs/dbraw/zinc/71/67/78/1170716778.db2.gz CWMCBWFYLJRJFE-MWLCHTKSSA-N 1 3 182.311 1.326 20 0 ADADHO CCC[C@H](CNC(C)(C)C[NH3+])OC 1577357670 1170717025 /nfs/dbraw/zinc/71/70/25/1170717025.db2.gz DXLZQTVSTDPRPL-SECBINFHSA-N 1 3 188.315 1.128 20 0 ADADHO CCC[C@@H](CNC(C)(C)C[NH3+])OC 1577357671 1170717219 /nfs/dbraw/zinc/71/72/19/1170717219.db2.gz DXLZQTVSTDPRPL-VIFPVBQESA-N 1 3 188.315 1.128 20 0 ADADHO CCCC[C@H](C)[NH2+][C@H]1C[C@@H](N)C1 1577387946 1170717414 /nfs/dbraw/zinc/71/74/14/1170717414.db2.gz CKACJOHRQNZMHK-LPEHRKFASA-N 1 3 170.300 1.644 20 0 ADADHO CC[C@@H]1CC[N@H+](CC2CNC2)[C@H]1C 1577262098 1170717543 /nfs/dbraw/zinc/71/75/43/1170717543.db2.gz CWMCBWFYLJRJFE-GXSJLCMTSA-N 1 3 182.311 1.326 20 0 ADADHO CC[C@@H]1CC[N@@H+](CC2CNC2)[C@H]1C 1577262098 1170717547 /nfs/dbraw/zinc/71/75/47/1170717547.db2.gz CWMCBWFYLJRJFE-GXSJLCMTSA-N 1 3 182.311 1.326 20 0 ADADHO CC[N@@H+]1C[C@H]2CCCC[C@]2(CN)C1 1577758678 1170718184 /nfs/dbraw/zinc/71/81/84/1170718184.db2.gz ANOMTMQWEKHFAW-MNOVXSKESA-N 1 3 182.311 1.457 20 0 ADADHO CC[N@H+]1C[C@H]2CCCC[C@]2(CN)C1 1577758678 1170718189 /nfs/dbraw/zinc/71/81/89/1170718189.db2.gz ANOMTMQWEKHFAW-MNOVXSKESA-N 1 3 182.311 1.457 20 0 ADADHO CC[N@@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 1577758680 1170718717 /nfs/dbraw/zinc/71/87/17/1170718717.db2.gz ANOMTMQWEKHFAW-WDEREUQCSA-N 1 3 182.311 1.457 20 0 ADADHO CC[N@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 1577758680 1170718722 /nfs/dbraw/zinc/71/87/22/1170718722.db2.gz ANOMTMQWEKHFAW-WDEREUQCSA-N 1 3 182.311 1.457 20 0 ADADHO CC[N@@H+]1C[C@H]2CCCC[C@@]2(CN)C1 1577758677 1170718746 /nfs/dbraw/zinc/71/87/46/1170718746.db2.gz ANOMTMQWEKHFAW-GHMZBOCLSA-N 1 3 182.311 1.457 20 0 ADADHO CC[N@H+]1C[C@H]2CCCC[C@@]2(CN)C1 1577758677 1170718751 /nfs/dbraw/zinc/71/87/51/1170718751.db2.gz ANOMTMQWEKHFAW-GHMZBOCLSA-N 1 3 182.311 1.457 20 0 ADADHO CC[N@@H+]1C[C@@H]2CCCC[C@]2(CN)C1 1577758679 1170719053 /nfs/dbraw/zinc/71/90/53/1170719053.db2.gz ANOMTMQWEKHFAW-QWRGUYRKSA-N 1 3 182.311 1.457 20 0 ADADHO CC[N@H+]1C[C@@H]2CCCC[C@]2(CN)C1 1577758679 1170719058 /nfs/dbraw/zinc/71/90/58/1170719058.db2.gz ANOMTMQWEKHFAW-QWRGUYRKSA-N 1 3 182.311 1.457 20 0 ADADHO CN(CC1CCCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578449835 1170725725 /nfs/dbraw/zinc/72/57/25/1170725725.db2.gz BFWJNKSHNNVSDU-GDNZZTSVSA-N 1 3 194.322 1.326 20 0 ADADHO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H](N)C2)C1 1578936550 1170730257 /nfs/dbraw/zinc/73/02/57/1170730257.db2.gz FVLRFBGNOAZHIG-CHWFTXMASA-N 1 3 198.310 1.023 20 0 ADADHO COC1(CN[C@H]2C[C@@H]([NH3+])C2)CCCC1 1578929080 1170730521 /nfs/dbraw/zinc/73/05/21/1170730521.db2.gz FIRWNEGRNOBCGS-AOOOYVTPSA-N 1 3 198.310 1.025 20 0 ADADHO COC1CC(N[C@@H]2CCCC[C@H]2[NH3+])C1 1578936707 1170730800 /nfs/dbraw/zinc/73/08/00/1170730800.db2.gz YQJUYFYRBROTRC-JPPWEJMLSA-N 1 3 198.310 1.023 20 0 ADADHO CO[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](N)C2)C1 1578936551 1170731215 /nfs/dbraw/zinc/73/12/15/1170731215.db2.gz FVLRFBGNOAZHIG-DBIOUOCHSA-N 1 3 198.310 1.023 20 0 ADADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](N)C2)C1 1578936555 1170731369 /nfs/dbraw/zinc/73/13/69/1170731369.db2.gz FVLRFBGNOAZHIG-UKKRHICBSA-N 1 3 198.310 1.023 20 0 ADADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](N)C2)C1 1578936556 1170731709 /nfs/dbraw/zinc/73/17/09/1170731709.db2.gz FVLRFBGNOAZHIG-XWLWVQCSSA-N 1 3 198.310 1.023 20 0 ADADHO CO[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H](N)C2)C1 1578936778 1170731797 /nfs/dbraw/zinc/73/17/97/1170731797.db2.gz FVLRFBGNOAZHIG-ZNSHCXBVSA-N 1 3 198.310 1.023 20 0 ADADHO CO[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](N)C2)C1 1578936554 1170732288 /nfs/dbraw/zinc/73/22/88/1170732288.db2.gz FVLRFBGNOAZHIG-NAKRPEOUSA-N 1 3 198.310 1.023 20 0 ADADHO CO[C@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](N)C2)C1 1578936553 1170732320 /nfs/dbraw/zinc/73/23/20/1170732320.db2.gz FVLRFBGNOAZHIG-MMWGEVLESA-N 1 3 198.310 1.023 20 0 ADADHO COC1CCC([NH2+][C@H]2C[C@H](N)C2)CC1 1578938929 1170732885 /nfs/dbraw/zinc/73/28/85/1170732885.db2.gz WSFPSISVZNJKSV-RSIPAPEOSA-N 1 3 198.310 1.023 20 0 ADADHO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](N)C2)C1 1578936552 1170734218 /nfs/dbraw/zinc/73/42/18/1170734218.db2.gz FVLRFBGNOAZHIG-GWOFURMSSA-N 1 3 198.310 1.023 20 0 ADADHO COC1CCC([NH2+][C@H]2C[C@@H](N)C2)CC1 1578938928 1170734409 /nfs/dbraw/zinc/73/44/09/1170734409.db2.gz WSFPSISVZNJKSV-NGXUNHMNSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](N)C2)C[C@@H](C)O1 1579486488 1170736505 /nfs/dbraw/zinc/73/65/05/1170736505.db2.gz BGLNOEUQLOLQQA-XBLOIYCDSA-N 1 3 198.310 1.022 20 0 ADADHO C[C@H]1CCCN(C[C@@]23C[NH2+]C[C@@H]2C3)C1 1579486979 1170738348 /nfs/dbraw/zinc/73/83/48/1170738348.db2.gz VCBZKSIDJLZXFY-SDDRHHMPSA-N 1 3 194.322 1.328 20 0 ADADHO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](N)C2)C[C@@H](C)O1 1579486485 1170737175 /nfs/dbraw/zinc/73/71/75/1170737175.db2.gz BGLNOEUQLOLQQA-HQUNYVMJSA-N 1 3 198.310 1.022 20 0 ADADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@H]12 1579467498 1170737454 /nfs/dbraw/zinc/73/74/54/1170737454.db2.gz KHSZMALAVSINKE-LDMBFOFVSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]CC1(CN)CC1 1579471084 1170737656 /nfs/dbraw/zinc/73/76/56/1170737656.db2.gz ZLPJLGKAJQMSEC-CHWFTXMASA-N 1 3 194.322 1.359 20 0 ADADHO Cc1cc(C[NH2+][C@H](C)CN)cc(C)n1 1579600731 1170737975 /nfs/dbraw/zinc/73/79/75/1170737975.db2.gz BOLTWTNTFIAVIL-SNVBAGLBSA-N 1 3 193.294 1.135 20 0 ADADHO C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](N)C2)C[C@@H](C)O1 1579486487 1170738322 /nfs/dbraw/zinc/73/83/22/1170738322.db2.gz BGLNOEUQLOLQQA-QXMMEXTASA-N 1 3 198.310 1.022 20 0 ADADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 1579467499 1170738552 /nfs/dbraw/zinc/73/85/52/1170738552.db2.gz KHSZMALAVSINKE-RMPHRYRLSA-N 1 3 194.322 1.373 20 0 ADADHO Cc1cc(C[NH2+][C@@H](C)CN)cc(C)n1 1579600730 1170739154 /nfs/dbraw/zinc/73/91/54/1170739154.db2.gz BOLTWTNTFIAVIL-JTQLQIEISA-N 1 3 193.294 1.135 20 0 ADADHO C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](N)C2)C[C@@H](C)O1 1579486486 1170739184 /nfs/dbraw/zinc/73/91/84/1170739184.db2.gz BGLNOEUQLOLQQA-OHZGJNKUSA-N 1 3 198.310 1.022 20 0 ADADHO C[C@@H]1CNC[C@H]1[NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1 1579467532 1170739405 /nfs/dbraw/zinc/73/94/05/1170739405.db2.gz MUUUYHWYBFUVKA-RMPHRYRLSA-N 1 3 194.322 1.230 20 0 ADADHO C[C@H]1CCCN(C[C@]23C[NH2+]C[C@H]2C3)C1 1579486981 1170739527 /nfs/dbraw/zinc/73/95/27/1170739527.db2.gz VCBZKSIDJLZXFY-TUAOUCFPSA-N 1 3 194.322 1.328 20 0 ADADHO NC1CC([NH2+][C@@H]2C[C@@H]3CCC[C@H]32)C1 1580162464 1170747840 /nfs/dbraw/zinc/74/78/40/1170747840.db2.gz AEYMNFGYMFJORT-CCNJGILJSA-N 1 3 180.295 1.254 20 0 ADADHO NC1CC([NH2+][C@@H]2C[C@@H]3CCC[C@@H]32)C1 1580162466 1170748536 /nfs/dbraw/zinc/74/85/36/1170748536.db2.gz AEYMNFGYMFJORT-IILPRTNTSA-N 1 3 180.295 1.254 20 0 ADADHO NC1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)C1 1580162465 1170748669 /nfs/dbraw/zinc/74/86/69/1170748669.db2.gz AEYMNFGYMFJORT-CPVIWBHCSA-N 1 3 180.295 1.254 20 0 ADADHO NC1CC([NH2+][C@@H]2C[C@H]3CCC[C@H]32)C1 1580162467 1170749608 /nfs/dbraw/zinc/74/96/08/1170749608.db2.gz AEYMNFGYMFJORT-LRPJUKONSA-N 1 3 180.295 1.254 20 0 ADADHO NC1CC([NH2+][C@H]2CCC[C@@H]3C[C@H]23)C1 1580165296 1170750437 /nfs/dbraw/zinc/75/04/37/1170750437.db2.gz UNNGBNJIRDRLIM-NRXRVSCLSA-N 1 3 180.295 1.254 20 0 ADADHO [NH3+]CCCCNCc1ncccc1F 1580294963 1170751899 /nfs/dbraw/zinc/75/18/99/1170751899.db2.gz PSRRBWGSEVPLOL-UHFFFAOYSA-N 1 3 197.257 1.049 20 0 ADADHO [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1C=CCCC1 1580372065 1170751929 /nfs/dbraw/zinc/75/19/29/1170751929.db2.gz RFRSABIMJAKFOJ-IJLUTSLNSA-N 1 3 194.322 1.955 20 0 ADADHO [NH3+][C@@H]1CCCC[C@H]1NCC1=CCCC1 1580371996 1170752598 /nfs/dbraw/zinc/75/25/98/1170752598.db2.gz KIUPRFZNSYCJEZ-VXGBXAGGSA-N 1 3 194.322 1.956 20 0 ADADHO [NH3+][C@@H]1CCCC[C@H]1N[C@H]1C=CCCC1 1580372066 1170754421 /nfs/dbraw/zinc/75/44/21/1170754421.db2.gz RFRSABIMJAKFOJ-QJPTWQEYSA-N 1 3 194.322 1.955 20 0 ADADHO N[C@H]1C[C@@H]([NH2+][C@H]2CCC23CCC3)C1 1580422903 1170755979 /nfs/dbraw/zinc/75/59/79/1170755979.db2.gz HPIDTNYAVLYOQJ-AEJSXWLSSA-N 1 3 180.295 1.398 20 0 ADADHO [NH3+][C@H]1C[C@@H](N[C@H]2CCC23CCC3)C1 1580422903 1170755987 /nfs/dbraw/zinc/75/59/87/1170755987.db2.gz HPIDTNYAVLYOQJ-AEJSXWLSSA-N 1 3 180.295 1.398 20 0 ADADHO N[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]32)C1 1580430779 1170756349 /nfs/dbraw/zinc/75/63/49/1170756349.db2.gz ZIKXMUANFUPEJE-UHFZAUJKSA-N 1 3 194.322 1.644 20 0 ADADHO N[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C1 1580422623 1170756452 /nfs/dbraw/zinc/75/64/52/1170756452.db2.gz AEYMNFGYMFJORT-HHKYUTTNSA-N 1 3 180.295 1.254 20 0 ADADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 1580430476 1170756679 /nfs/dbraw/zinc/75/66/79/1170756679.db2.gz NDKFUKPPKPFWHE-GMTAPVOTSA-N 1 3 194.322 1.789 20 0 ADADHO N[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@H]23)C1 1580430655 1170756864 /nfs/dbraw/zinc/75/68/64/1170756864.db2.gz UNNGBNJIRDRLIM-APLZJWDSSA-N 1 3 180.295 1.254 20 0 ADADHO N[C@H]1C[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 1580430627 1170756885 /nfs/dbraw/zinc/75/68/85/1170756885.db2.gz SQBDEMCRHUWUPB-GMTAPVOTSA-N 1 3 180.295 1.422 20 0 ADADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 1580422904 1170756918 /nfs/dbraw/zinc/75/69/18/1170756918.db2.gz HPIDTNYAVLYOQJ-KXUCPTDWSA-N 1 3 180.295 1.398 20 0 ADADHO [NH3+][C@H]1C[C@@H](N[C@@H]2CCC23CCC3)C1 1580422904 1170756924 /nfs/dbraw/zinc/75/69/24/1170756924.db2.gz HPIDTNYAVLYOQJ-KXUCPTDWSA-N 1 3 180.295 1.398 20 0 ADADHO N[C@H]1C[C@@H]([NH2+][C@H]2CCCC23CC3)C1 1580422895 1170757045 /nfs/dbraw/zinc/75/70/45/1170757045.db2.gz HIGMKXPTWFSQPQ-AEJSXWLSSA-N 1 3 180.295 1.398 20 0 ADADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCCC23CC3)C1 1580430220 1170757309 /nfs/dbraw/zinc/75/73/09/1170757309.db2.gz HIGMKXPTWFSQPQ-OPRDCNLKSA-N 1 3 180.295 1.398 20 0 ADADHO N[C@H]1C[C@H]([NH2+]C[C@H]2CC=CCC2)C1 1580430625 1170757471 /nfs/dbraw/zinc/75/74/71/1170757471.db2.gz SQBDEMCRHUWUPB-DCAQKATOSA-N 1 3 180.295 1.422 20 0 ADADHO N[C@H]1C[C@@H]([NH2+]C2CCCC2)C1 1580423188 1170757490 /nfs/dbraw/zinc/75/74/90/1170757490.db2.gz SPLJPAMGQRBYAN-OTSSQURYSA-N 1 3 154.257 1.008 20 0 ADADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 1580423385 1170757692 /nfs/dbraw/zinc/75/76/92/1170757692.db2.gz YPNDRVDQZPOFFM-LMLFDSFASA-N 1 3 180.295 1.254 20 0 ADADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 1580430657 1170757728 /nfs/dbraw/zinc/75/77/28/1170757728.db2.gz UNNGBNJIRDRLIM-MVCUBJFGSA-N 1 3 180.295 1.254 20 0 ADADHO N[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 1580423386 1170757841 /nfs/dbraw/zinc/75/78/41/1170757841.db2.gz YPNDRVDQZPOFFM-VLEAKVRGSA-N 1 3 180.295 1.254 20 0 ADADHO N[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 1580423388 1170758427 /nfs/dbraw/zinc/75/84/27/1170758427.db2.gz YPNDRVDQZPOFFM-YTWAJWBKSA-N 1 3 180.295 1.254 20 0 ADADHO N[C@H]1C[C@H]([NH2+][C@H]2CCCC23CCC3)C1 1580430475 1170758520 /nfs/dbraw/zinc/75/85/20/1170758520.db2.gz NDKFUKPPKPFWHE-DCAQKATOSA-N 1 3 194.322 1.789 20 0 ADADHO N[C@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)C1 1580430256 1170758574 /nfs/dbraw/zinc/75/85/74/1170758574.db2.gz JLTGPZVBNNASOX-KYZUINATSA-N 1 3 180.295 1.398 20 0 ADADHO [NH3+][C@H]1C[C@H](NC2CC3(CCC3)C2)C1 1580430256 1170758583 /nfs/dbraw/zinc/75/85/83/1170758583.db2.gz JLTGPZVBNNASOX-KYZUINATSA-N 1 3 180.295 1.398 20 0 ADADHO N[C@H]1C[C@@H]([NH2+]CCCC(F)(F)F)C1 1580423165 1170758758 /nfs/dbraw/zinc/75/87/58/1170758758.db2.gz RRLGJHXTFPOCJW-KNVOCYPGSA-N 1 3 196.216 1.408 20 0 ADADHO N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 1580422972 1170758786 /nfs/dbraw/zinc/75/87/86/1170758786.db2.gz KKBRLMZUDLPMID-ZIQFBCGOSA-N 1 3 194.322 1.502 20 0 ADADHO N[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]32)C1 1580422624 1170758812 /nfs/dbraw/zinc/75/88/12/1170758812.db2.gz AEYMNFGYMFJORT-QUARPLMYSA-N 1 3 180.295 1.254 20 0 ADADHO N[C@H]1C[C@H]([NH2+]C2CC(C(F)F)C2)C1 1580429955 1170758840 /nfs/dbraw/zinc/75/88/40/1170758840.db2.gz CNLDJBYIRAMFDJ-LCYKGTOWSA-N 1 3 190.237 1.109 20 0 ADADHO [NH3+][C@H]1C[C@H](NC2CC(C(F)F)C2)C1 1580429955 1170758845 /nfs/dbraw/zinc/75/88/45/1170758845.db2.gz CNLDJBYIRAMFDJ-LCYKGTOWSA-N 1 3 190.237 1.109 20 0 ADADHO N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 1580422971 1170758929 /nfs/dbraw/zinc/75/89/29/1170758929.db2.gz KKBRLMZUDLPMID-ROHXPCBUSA-N 1 3 194.322 1.502 20 0 ADADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 1580423389 1170758948 /nfs/dbraw/zinc/75/89/48/1170758948.db2.gz YPNDRVDQZPOFFM-ZRUFSTJUSA-N 1 3 180.295 1.254 20 0 ADADHO N[C@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)C1 1580422951 1170759224 /nfs/dbraw/zinc/75/92/24/1170759224.db2.gz JLTGPZVBNNASOX-DTORHVGOSA-N 1 3 180.295 1.398 20 0 ADADHO [NH3+][C@H]1C[C@@H](NC2CC3(CCC3)C2)C1 1580422951 1170759233 /nfs/dbraw/zinc/75/92/33/1170759233.db2.gz JLTGPZVBNNASOX-DTORHVGOSA-N 1 3 180.295 1.398 20 0 ADADHO N[C@H]1C[C@H]([NH2+][C@H]2CCCC23CC3)C1 1580430219 1170759350 /nfs/dbraw/zinc/75/93/50/1170759350.db2.gz HIGMKXPTWFSQPQ-GUBZILKMSA-N 1 3 180.295 1.398 20 0 ADADHO N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]3C[C@@H]3C2)C1 1580430244 1170759388 /nfs/dbraw/zinc/75/93/88/1170759388.db2.gz IRWZGOUBHNLQKE-OHZGJNKUSA-N 1 3 180.295 1.112 20 0 ADADHO N[C@H]1C[C@@H]([NH2+]C2CC(C(F)F)C2)C1 1580422700 1170759399 /nfs/dbraw/zinc/75/93/99/1170759399.db2.gz CNLDJBYIRAMFDJ-ZHCAFXJNSA-N 1 3 190.237 1.109 20 0 ADADHO [NH3+][C@H]1C[C@@H](NC2CC(C(F)F)C2)C1 1580422700 1170759403 /nfs/dbraw/zinc/75/94/03/1170759403.db2.gz CNLDJBYIRAMFDJ-ZHCAFXJNSA-N 1 3 190.237 1.109 20 0 ADADHO N[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C1 1580430778 1170759437 /nfs/dbraw/zinc/75/94/37/1170759437.db2.gz ZIKXMUANFUPEJE-HTFCKZLJSA-N 1 3 194.322 1.644 20 0 ADADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 1580422896 1170759534 /nfs/dbraw/zinc/75/95/34/1170759534.db2.gz HIGMKXPTWFSQPQ-KXUCPTDWSA-N 1 3 180.295 1.398 20 0 ADADHO CC(C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 1655278244 1170920847 /nfs/dbraw/zinc/92/08/47/1170920847.db2.gz NLLMMVOCJHWHMO-MNOVXSKESA-N 1 3 182.311 1.278 20 0 ADADHO CC(C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 1655278244 1170920851 /nfs/dbraw/zinc/92/08/51/1170920851.db2.gz NLLMMVOCJHWHMO-MNOVXSKESA-N 1 3 182.311 1.278 20 0 ADADHO C[C@H](N)C[NH2+]Cc1ccccc1 38282252 571842409 /nfs/dbraw/zinc/84/24/09/571842409.db2.gz QEXJEJPSPOSZIS-VIFPVBQESA-N 1 3 164.252 1.123 20 0 ADADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CC1CC1 82560490 572048027 /nfs/dbraw/zinc/04/80/27/572048027.db2.gz MDNOTYJLZASCLM-KOLCDFICSA-N 1 3 182.311 1.184 20 0 ADADHO C[C@@H](C[NH3+])N[C@H](C)Cc1cccs1 235094267 572058380 /nfs/dbraw/zinc/05/83/80/572058380.db2.gz DONVIJZLVIOPRZ-BDAKNGLRSA-N 1 3 198.335 1.616 20 0 ADADHO C[C@@H](C[NH3+])N[C@H](C)Cc1ccsc1 235094326 572060470 /nfs/dbraw/zinc/06/04/70/572060470.db2.gz UAPCHGCKPHCAGQ-BDAKNGLRSA-N 1 3 198.335 1.616 20 0 ADADHO CNC[C@H](C)C[NH2+]CC1(C)CC1 234392269 572079927 /nfs/dbraw/zinc/07/99/27/572079927.db2.gz QESDWDWOAGDULA-VIFPVBQESA-N 1 3 170.300 1.232 20 0 ADADHO CC[C@H](C)C[NH2+]CCC(C)(C)N 82773358 572106651 /nfs/dbraw/zinc/10/66/51/572106651.db2.gz ZLXPBBYSEQMASJ-VIFPVBQESA-N 1 3 172.316 1.750 20 0 ADADHO CC(C)C[NH2+]CCC(C)(C)N 82773058 572107036 /nfs/dbraw/zinc/10/70/36/572107036.db2.gz LVZSMXKJDYCSHX-UHFFFAOYSA-N 1 3 158.289 1.359 20 0 ADADHO CC(C)(C)C[NH2+]CCC(C)(C)N 82773087 572107186 /nfs/dbraw/zinc/10/71/86/572107186.db2.gz AAYAJFXEQYCBDJ-UHFFFAOYSA-N 1 3 172.316 1.750 20 0 ADADHO CC(C)(N)CC[NH2+]C1CCCC1 82773061 572108964 /nfs/dbraw/zinc/10/89/64/572108964.db2.gz IMQNNHRFKBTROT-UHFFFAOYSA-N 1 3 170.300 1.646 20 0 ADADHO CC(C)(N)CC[NH2+]CC1CC1 82773070 572109314 /nfs/dbraw/zinc/10/93/14/572109314.db2.gz OOGFVAYPWMKOPR-UHFFFAOYSA-N 1 3 156.273 1.113 20 0 ADADHO CC(C)([NH3+])CCNCc1cccs1 82773029 572109521 /nfs/dbraw/zinc/10/95/21/572109521.db2.gz VZQJHCFKVIRNRK-UHFFFAOYSA-N 1 3 198.335 1.965 20 0 ADADHO CC[C@@H](C)C[NH2+]CCC(C)(C)N 82773357 572109653 /nfs/dbraw/zinc/10/96/53/572109653.db2.gz ZLXPBBYSEQMASJ-SECBINFHSA-N 1 3 172.316 1.750 20 0 ADADHO CC(C)(N)CC[NH2+]C(C1CC1)C1CC1 82773179 572109863 /nfs/dbraw/zinc/10/98/63/572109863.db2.gz NFILVBJHQJTPET-UHFFFAOYSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@@H](C[NH3+])N[C@@H](C)Cc1cccs1 235144382 572114167 /nfs/dbraw/zinc/11/41/67/572114167.db2.gz DONVIJZLVIOPRZ-IUCAKERBSA-N 1 3 198.335 1.616 20 0 ADADHO C[C@@H](C[NH3+])N[C@@H](C)Cc1ccsc1 235144420 572116959 /nfs/dbraw/zinc/11/69/59/572116959.db2.gz UAPCHGCKPHCAGQ-IUCAKERBSA-N 1 3 198.335 1.616 20 0 ADADHO C[C@@H](C[NH3+])N[C@H](C)CCc1ccco1 235150624 572136318 /nfs/dbraw/zinc/13/63/18/572136318.db2.gz OYJUJARDMUJPRC-ZJUUUORDSA-N 1 3 196.294 1.538 20 0 ADADHO Cc1ccc([C@H](C)NCCCC[NH3+])o1 37714842 572181552 /nfs/dbraw/zinc/18/15/52/572181552.db2.gz MNFIRCHQPOGCMW-JTQLQIEISA-N 1 3 196.294 1.978 20 0 ADADHO C[C@H](NCCCC[NH3+])c1ccco1 37714827 572181947 /nfs/dbraw/zinc/18/19/47/572181947.db2.gz FMNGULWNBQDDQA-VIFPVBQESA-N 1 3 182.267 1.669 20 0 ADADHO Cc1ccc([C@@H](C)NCCCC[NH3+])o1 37714841 572183181 /nfs/dbraw/zinc/18/31/81/572183181.db2.gz MNFIRCHQPOGCMW-SNVBAGLBSA-N 1 3 196.294 1.978 20 0 ADADHO C[C@@H](NCCCC[NH3+])c1ccco1 37714828 572183510 /nfs/dbraw/zinc/18/35/10/572183510.db2.gz FMNGULWNBQDDQA-SECBINFHSA-N 1 3 182.267 1.669 20 0 ADADHO CCCCCCN1C[C@@H]2C[NH2+]C[C@@H]2C1 83119676 572186178 /nfs/dbraw/zinc/18/61/78/572186178.db2.gz ZWAXIAHXERJXDR-TXEJJXNPSA-N 1 3 196.338 1.718 20 0 ADADHO CCCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 83119677 572186972 /nfs/dbraw/zinc/18/69/72/572186972.db2.gz ZWAXIAHXERJXDR-VXGBXAGGSA-N 1 3 196.338 1.718 20 0 ADADHO CCCC[N@@H+]1CCC[C@H](CN)C1 19843155 572203100 /nfs/dbraw/zinc/20/31/00/572203100.db2.gz XIJCIPKYIBNLCA-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO CCCC[N@H+]1CCC[C@H](CN)C1 19843155 572203103 /nfs/dbraw/zinc/20/31/03/572203103.db2.gz XIJCIPKYIBNLCA-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO CCCCN1CCC[C@H](C[NH3+])C1 19843155 572203107 /nfs/dbraw/zinc/20/31/07/572203107.db2.gz XIJCIPKYIBNLCA-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO CCCC[N@@H+]1CCC[C@@H](CN)C1 19843153 572205114 /nfs/dbraw/zinc/20/51/14/572205114.db2.gz XIJCIPKYIBNLCA-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO CCCC[N@H+]1CCC[C@@H](CN)C1 19843153 572205115 /nfs/dbraw/zinc/20/51/15/572205115.db2.gz XIJCIPKYIBNLCA-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO CCCCN1CCC[C@@H](C[NH3+])C1 19843153 572205120 /nfs/dbraw/zinc/20/51/20/572205120.db2.gz XIJCIPKYIBNLCA-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO CN1CCC(C[NH+]2CCCCC2)CC1 150285731 572212919 /nfs/dbraw/zinc/21/29/19/572212919.db2.gz RKLKAKQHGMNGKR-UHFFFAOYSA-N 1 3 196.338 1.814 20 0 ADADHO CC[N@H+](CCCN)C(C)C 36731807 572221473 /nfs/dbraw/zinc/22/14/73/572221473.db2.gz IBRHEERYRVZERA-UHFFFAOYSA-N 1 3 144.262 1.066 20 0 ADADHO CC[N@@H+](CCCN)C(C)C 36731807 572221477 /nfs/dbraw/zinc/22/14/77/572221477.db2.gz IBRHEERYRVZERA-UHFFFAOYSA-N 1 3 144.262 1.066 20 0 ADADHO CCN(CCC[NH3+])C(C)C 36731807 572221481 /nfs/dbraw/zinc/22/14/81/572221481.db2.gz IBRHEERYRVZERA-UHFFFAOYSA-N 1 3 144.262 1.066 20 0 ADADHO CC[C@H](C)C[N@@H+]1CCC[C@H](CN)C1 44527993 572242711 /nfs/dbraw/zinc/24/27/11/572242711.db2.gz DCOXNOKFFRPUOR-WDEREUQCSA-N 1 3 184.327 1.703 20 0 ADADHO CC[C@H](C)C[N@H+]1CCC[C@H](CN)C1 44527993 572242713 /nfs/dbraw/zinc/24/27/13/572242713.db2.gz DCOXNOKFFRPUOR-WDEREUQCSA-N 1 3 184.327 1.703 20 0 ADADHO C[C@H](NCCCC[NH3+])c1ccoc1 87289896 572415459 /nfs/dbraw/zinc/41/54/59/572415459.db2.gz RFTNIACGWUTQSD-VIFPVBQESA-N 1 3 182.267 1.669 20 0 ADADHO C[C@]1(C[NH2+]CCC2CC2)CCCNC1 83895431 572438418 /nfs/dbraw/zinc/43/84/18/572438418.db2.gz UIULPPLRGUKYCZ-LBPRGKRZSA-N 1 3 196.338 1.766 20 0 ADADHO C[C@@]1(C[NH2+]CCC2CC2)CCCNC1 83895432 572440459 /nfs/dbraw/zinc/44/04/59/572440459.db2.gz UIULPPLRGUKYCZ-GFCCVEGCSA-N 1 3 196.338 1.766 20 0 ADADHO C=C/C=C\CCN(C)CCC[NH2+]C 713714493 572476353 /nfs/dbraw/zinc/47/63/53/572476353.db2.gz AGYNLFLJCXJWOX-WAYWQWQTSA-N 1 3 182.311 1.660 20 0 ADADHO C=C/C=C\CC[N@@H+](C)CCCNC 713714493 572476355 /nfs/dbraw/zinc/47/63/55/572476355.db2.gz AGYNLFLJCXJWOX-WAYWQWQTSA-N 1 3 182.311 1.660 20 0 ADADHO C=C/C=C\CC[N@H+](C)CCCNC 713714493 572476358 /nfs/dbraw/zinc/47/63/58/572476358.db2.gz AGYNLFLJCXJWOX-WAYWQWQTSA-N 1 3 182.311 1.660 20 0 ADADHO C=C/C=C/CCN(C)CCC[NH2+]C 713714491 572478535 /nfs/dbraw/zinc/47/85/35/572478535.db2.gz AGYNLFLJCXJWOX-AATRIKPKSA-N 1 3 182.311 1.660 20 0 ADADHO C=C/C=C/CC[N@@H+](C)CCCNC 713714491 572478537 /nfs/dbraw/zinc/47/85/37/572478537.db2.gz AGYNLFLJCXJWOX-AATRIKPKSA-N 1 3 182.311 1.660 20 0 ADADHO C=C/C=C/CC[N@H+](C)CCCNC 713714491 572478539 /nfs/dbraw/zinc/47/85/39/572478539.db2.gz AGYNLFLJCXJWOX-AATRIKPKSA-N 1 3 182.311 1.660 20 0 ADADHO C=C/C=C/CC[N@H+]1CCC[C@H](CN)C1 713716468 572484314 /nfs/dbraw/zinc/48/43/14/572484314.db2.gz LHHAIOMLHRYUNY-AAOUONPWSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C/CC[N@@H+]1CCC[C@H](CN)C1 713716468 572484316 /nfs/dbraw/zinc/48/43/16/572484316.db2.gz LHHAIOMLHRYUNY-AAOUONPWSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C/CCN1CCC[C@H](C[NH3+])C1 713716468 572484318 /nfs/dbraw/zinc/48/43/18/572484318.db2.gz LHHAIOMLHRYUNY-AAOUONPWSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C\CC[N@@H+]1CCC[C@@H](CN)C1 713716471 572485691 /nfs/dbraw/zinc/48/56/91/572485691.db2.gz LHHAIOMLHRYUNY-MVZIDQBPSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C\CC[N@H+]1CCC[C@@H](CN)C1 713716471 572485686 /nfs/dbraw/zinc/48/56/86/572485686.db2.gz LHHAIOMLHRYUNY-MVZIDQBPSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C/CC[N@H+]1CCC[C@@H](CN)C1 713716478 572487295 /nfs/dbraw/zinc/48/72/95/572487295.db2.gz LHHAIOMLHRYUNY-PCAWENJQSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C/CC[N@@H+]1CCC[C@@H](CN)C1 713716478 572487299 /nfs/dbraw/zinc/48/72/99/572487299.db2.gz LHHAIOMLHRYUNY-PCAWENJQSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C/CCN1CCC[C@@H](C[NH3+])C1 713716478 572487302 /nfs/dbraw/zinc/48/73/02/572487302.db2.gz LHHAIOMLHRYUNY-PCAWENJQSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C\CC[N@H+]1CCC[C@H](CN)C1 713716481 572487502 /nfs/dbraw/zinc/48/75/02/572487502.db2.gz LHHAIOMLHRYUNY-VSQXVHSFSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C\CC[N@@H+]1CCC[C@H](CN)C1 713716481 572487506 /nfs/dbraw/zinc/48/75/06/572487506.db2.gz LHHAIOMLHRYUNY-VSQXVHSFSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C\CCN1CCC[C@H](C[NH3+])C1 713716481 572487510 /nfs/dbraw/zinc/48/75/10/572487510.db2.gz LHHAIOMLHRYUNY-VSQXVHSFSA-N 1 3 194.322 1.789 20 0 ADADHO C=C/C=C/CCN1CC[C@H](C[NH2+]C)C1 713718331 572491070 /nfs/dbraw/zinc/49/10/70/572491070.db2.gz SAYWWZJPPVQSRU-ZYOFXKKJSA-N 1 3 194.322 1.660 20 0 ADADHO C=C/C=C\CCN1CC[C@@H](C[NH2+]C)C1 713718330 572492935 /nfs/dbraw/zinc/49/29/35/572492935.db2.gz SAYWWZJPPVQSRU-RXNFCKPNSA-N 1 3 194.322 1.660 20 0 ADADHO C=C/C=C\CCN1CCC[C@@H]1C[NH3+] 713716860 572494995 /nfs/dbraw/zinc/49/49/95/572494995.db2.gz MCZYRSFANURNKJ-DLRQAJBASA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C/CCN1CCC[C@@H]1C[NH3+] 713716861 572497085 /nfs/dbraw/zinc/49/70/85/572497085.db2.gz MCZYRSFANURNKJ-PGLGOXFNSA-N 1 3 180.295 1.542 20 0 ADADHO C=C/C=C/CC[N@H+]1CC[C@H](CN)C1 713717416 572499514 /nfs/dbraw/zinc/49/95/14/572499514.db2.gz ONJDHDUJLSTGCQ-PGLGOXFNSA-N 1 3 180.295 1.399 20 0 ADADHO C=C/C=C/CC[N@@H+]1CC[C@H](CN)C1 713717416 572499518 /nfs/dbraw/zinc/49/95/18/572499518.db2.gz ONJDHDUJLSTGCQ-PGLGOXFNSA-N 1 3 180.295 1.399 20 0 ADADHO C=C/C=C\CC[N@H+]1CC[C@@H](CN)C1 713717379 572500441 /nfs/dbraw/zinc/50/04/41/572500441.db2.gz ONJDHDUJLSTGCQ-BYCRGOAPSA-N 1 3 180.295 1.399 20 0 ADADHO C=C/C=C\CC[N@@H+]1CC[C@@H](CN)C1 713717379 572500442 /nfs/dbraw/zinc/50/04/42/572500442.db2.gz ONJDHDUJLSTGCQ-BYCRGOAPSA-N 1 3 180.295 1.399 20 0 ADADHO C=C/C=C/CC[N@H+]1CC[C@@H](CN)C1 713717419 572501157 /nfs/dbraw/zinc/50/11/57/572501157.db2.gz ONJDHDUJLSTGCQ-UFFNRZRYSA-N 1 3 180.295 1.399 20 0 ADADHO C=C/C=C/CC[N@@H+]1CC[C@@H](CN)C1 713717419 572501161 /nfs/dbraw/zinc/50/11/61/572501161.db2.gz ONJDHDUJLSTGCQ-UFFNRZRYSA-N 1 3 180.295 1.399 20 0 ADADHO C=C/C=C\CC[N@H+]1CC[C@H](CN)C1 713717381 572501301 /nfs/dbraw/zinc/50/13/01/572501301.db2.gz ONJDHDUJLSTGCQ-DLRQAJBASA-N 1 3 180.295 1.399 20 0 ADADHO C=C/C=C\CC[N@@H+]1CC[C@H](CN)C1 713717381 572501304 /nfs/dbraw/zinc/50/13/04/572501304.db2.gz ONJDHDUJLSTGCQ-DLRQAJBASA-N 1 3 180.295 1.399 20 0 ADADHO C=C/C=C\CCN1CC[C@H](C[NH2+]C)C1 713717994 572508024 /nfs/dbraw/zinc/50/80/24/572508024.db2.gz SAYWWZJPPVQSRU-QMAVJUDZSA-N 1 3 194.322 1.660 20 0 ADADHO C=C/C=C/CCN1CC[C@@H](C[NH2+]C)C1 713717991 572508797 /nfs/dbraw/zinc/50/87/97/572508797.db2.gz SAYWWZJPPVQSRU-ITKZLYELSA-N 1 3 194.322 1.660 20 0 ADADHO CC(C)[N@H+](C)C[C@@]1(C)CCCNC1 62861748 572517174 /nfs/dbraw/zinc/51/71/74/572517174.db2.gz KTBNGNHDXSVCHG-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO CC(C)N(C)C[C@@]1(C)CCC[NH2+]C1 62861748 572517171 /nfs/dbraw/zinc/51/71/71/572517171.db2.gz KTBNGNHDXSVCHG-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO CC(C)[N@@H+](C)C[C@@]1(C)CCCNC1 62861748 572517178 /nfs/dbraw/zinc/51/71/78/572517178.db2.gz KTBNGNHDXSVCHG-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO CC(C)N(C)C[C@]1(C)CCC[NH2+]C1 62861747 572517262 /nfs/dbraw/zinc/51/72/62/572517262.db2.gz KTBNGNHDXSVCHG-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CC(C)[N@H+](C)C[C@]1(C)CCCNC1 62861747 572517264 /nfs/dbraw/zinc/51/72/64/572517264.db2.gz KTBNGNHDXSVCHG-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CC(C)[N@@H+](C)C[C@]1(C)CCCNC1 62861747 572517269 /nfs/dbraw/zinc/51/72/69/572517269.db2.gz KTBNGNHDXSVCHG-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CC1(C)C[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 62867752 572517387 /nfs/dbraw/zinc/51/73/87/572517387.db2.gz WCEJQGDJOBUOQD-JQWIXIFHSA-N 1 3 196.338 1.764 20 0 ADADHO CC1(C)C[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 62867752 572517397 /nfs/dbraw/zinc/51/73/97/572517397.db2.gz WCEJQGDJOBUOQD-JQWIXIFHSA-N 1 3 196.338 1.764 20 0 ADADHO CC1(C)C[C@@H]1NC[C@]1(C)CCC[NH2+]C1 62867750 572518177 /nfs/dbraw/zinc/51/81/77/572518177.db2.gz WCEJQGDJOBUOQD-CMPLNLGQSA-N 1 3 196.338 1.764 20 0 ADADHO CC1(C)C[C@@H]1[NH2+]C[C@]1(C)CCCNC1 62867750 572518182 /nfs/dbraw/zinc/51/81/82/572518182.db2.gz WCEJQGDJOBUOQD-CMPLNLGQSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)CCC[NH2+]C1CC(N)C1 87651709 572640264 /nfs/dbraw/zinc/64/02/64/572640264.db2.gz DUXLFUIEWNOZIV-UHFFFAOYSA-N 1 3 170.300 1.502 20 0 ADADHO CC(C)CCCNC1CC([NH3+])C1 87651709 572640267 /nfs/dbraw/zinc/64/02/67/572640267.db2.gz DUXLFUIEWNOZIV-UHFFFAOYSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@@H]1CCC[C@@H](C[NH2+]C2CC(N)C2)C1 235295481 572670619 /nfs/dbraw/zinc/67/06/19/572670619.db2.gz NISUSNAXVIICRM-QYNFOATHSA-N 1 3 196.338 1.892 20 0 ADADHO C[NH2+]CCC1CCN(CCF)CC1 87776623 572709382 /nfs/dbraw/zinc/70/93/82/572709382.db2.gz LXIHLQUXLKZZFX-UHFFFAOYSA-N 1 3 188.290 1.277 20 0 ADADHO CC[NH2+]CC1CCN(CCF)CC1 87775859 572709902 /nfs/dbraw/zinc/70/99/02/572709902.db2.gz RZPWVLANZMEFGZ-UHFFFAOYSA-N 1 3 188.290 1.277 20 0 ADADHO [NH3+]CCC1CCN(CCF)CC1 87775803 572711330 /nfs/dbraw/zinc/71/13/30/572711330.db2.gz RNOAPRSAIJNXMO-UHFFFAOYSA-N 1 3 174.263 1.017 20 0 ADADHO C[C@H]1CC[C@H](C)[NH+]1C[C@@H]1CCCNC1 238438034 572719965 /nfs/dbraw/zinc/71/99/65/572719965.db2.gz MGTLIXFJRUPRPM-SDDRHHMPSA-N 1 3 196.338 1.859 20 0 ADADHO CC(C)([NH3+])CCN[C@H]1CCC1(C)C 308127192 572775031 /nfs/dbraw/zinc/77/50/31/572775031.db2.gz BQBUXHHUDVNCSP-VIFPVBQESA-N 1 3 184.327 1.892 20 0 ADADHO CC(C)(N)CC[NH2+][C@H]1CCC1(C)C 308127192 572775035 /nfs/dbraw/zinc/77/50/35/572775035.db2.gz BQBUXHHUDVNCSP-VIFPVBQESA-N 1 3 184.327 1.892 20 0 ADADHO C[C@@H](CN)C[NH2+]C1CCSCC1 307960367 572848525 /nfs/dbraw/zinc/84/85/25/572848525.db2.gz KFMANUMDXQCVSX-QMMMGPOBSA-N 1 3 188.340 1.066 20 0 ADADHO CC[C@H](C)[NH2+]C[C@H](C)CNC 86070477 572848601 /nfs/dbraw/zinc/84/86/01/572848601.db2.gz ZIZNROKPGKYAPJ-BDAKNGLRSA-N 1 3 158.289 1.230 20 0 ADADHO C[C@H](CN)C[NH2+]C1CCSCC1 307960366 572848941 /nfs/dbraw/zinc/84/89/41/572848941.db2.gz KFMANUMDXQCVSX-MRVPVSSYSA-N 1 3 188.340 1.066 20 0 ADADHO CNC[C@H](C)C[NH2+]C1CCCCC1 86070446 572853849 /nfs/dbraw/zinc/85/38/49/572853849.db2.gz YOQUFPDNWWKIKS-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CNC[C@@H](C)C[NH2+]C1CCCCC1 86070448 572854983 /nfs/dbraw/zinc/85/49/83/572854983.db2.gz YOQUFPDNWWKIKS-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H](C)[NH2+]C[C@@H](C)CNC 86070470 572855716 /nfs/dbraw/zinc/85/57/16/572855716.db2.gz ZIZNROKPGKYAPJ-DTWKUNHWSA-N 1 3 158.289 1.230 20 0 ADADHO CC[C@H](C)[NH2+]C[C@@H](C)CNC 86070471 572855768 /nfs/dbraw/zinc/85/57/68/572855768.db2.gz ZIZNROKPGKYAPJ-IUCAKERBSA-N 1 3 158.289 1.230 20 0 ADADHO C[C@@H]1CCC[C@H](C[NH2+]C2CC(N)C2)C1 235366843 572857256 /nfs/dbraw/zinc/85/72/56/572857256.db2.gz NISUSNAXVIICRM-QKEWWQLBSA-N 1 3 196.338 1.892 20 0 ADADHO CC[C@@H](C)[NH2+]C[C@H](C)CNC 86070474 572857547 /nfs/dbraw/zinc/85/75/47/572857547.db2.gz ZIZNROKPGKYAPJ-RKDXNWHRSA-N 1 3 158.289 1.230 20 0 ADADHO CC[C@@H](C)C[NH2+]C[C@H](C)CNC 86070690 572864452 /nfs/dbraw/zinc/86/44/52/572864452.db2.gz RMNQXXFPBZVGBH-NXEZZACHSA-N 1 3 172.316 1.478 20 0 ADADHO CC[C@@H](C)C[NH2+]C[C@@H](C)CNC 86070686 572865753 /nfs/dbraw/zinc/86/57/53/572865753.db2.gz RMNQXXFPBZVGBH-ZJUUUORDSA-N 1 3 172.316 1.478 20 0 ADADHO CNC[C@@H](C)C[NH2+]C(C1CC1)C1CC1 86070542 572863978 /nfs/dbraw/zinc/86/39/78/572863978.db2.gz NAPCPWJNLPGBCS-SECBINFHSA-N 1 3 196.338 1.620 20 0 ADADHO CNC[C@H](C)C[NH2+]CC(C)(C)C 86070516 572864362 /nfs/dbraw/zinc/86/43/62/572864362.db2.gz ZUKSFPDBUGKFTO-VIFPVBQESA-N 1 3 172.316 1.478 20 0 ADADHO CC[C@H](C)C[NH2+]C[C@H](C)CNC 86070692 572864543 /nfs/dbraw/zinc/86/45/43/572864543.db2.gz RMNQXXFPBZVGBH-VHSXEESVSA-N 1 3 172.316 1.478 20 0 ADADHO CNC[C@@H](C)C[NH2+]C1CCCC1 86070489 572864804 /nfs/dbraw/zinc/86/48/04/572864804.db2.gz SUQWTWUKPZBJSY-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO CNC[C@H](C)C[NH2+]C(C1CC1)C1CC1 86070540 572865053 /nfs/dbraw/zinc/86/50/53/572865053.db2.gz NAPCPWJNLPGBCS-VIFPVBQESA-N 1 3 196.338 1.620 20 0 ADADHO CNC[C@@H](C)C[NH2+]CC(C)C 86070487 572865240 /nfs/dbraw/zinc/86/52/40/572865240.db2.gz FRYDIWODKYWYRW-SECBINFHSA-N 1 3 158.289 1.088 20 0 ADADHO CNC[C@H](C)C[NH2+]CC(C)C 86070484 572865340 /nfs/dbraw/zinc/86/53/40/572865340.db2.gz FRYDIWODKYWYRW-VIFPVBQESA-N 1 3 158.289 1.088 20 0 ADADHO CC[C@H](C)C[NH2+]C[C@@H](C)CNC 86070688 572865367 /nfs/dbraw/zinc/86/53/67/572865367.db2.gz RMNQXXFPBZVGBH-UWVGGRQHSA-N 1 3 172.316 1.478 20 0 ADADHO CNC[C@H](C)C[NH2+]C1CCCC1 86070488 572865633 /nfs/dbraw/zinc/86/56/33/572865633.db2.gz SUQWTWUKPZBJSY-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CNC[C@@H](C)C[NH2+]CC(C)(C)C 86070517 572866002 /nfs/dbraw/zinc/86/60/02/572866002.db2.gz ZUKSFPDBUGKFTO-SECBINFHSA-N 1 3 172.316 1.478 20 0 ADADHO C[C@@H](CC1CC1)[NH2+]CCC(C)(C)N 308205608 572935002 /nfs/dbraw/zinc/93/50/02/572935002.db2.gz HPGQWJITBBOFCT-VIFPVBQESA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](CC1CC1)[NH2+]CCC(C)(C)N 308205607 572935116 /nfs/dbraw/zinc/93/51/16/572935116.db2.gz HPGQWJITBBOFCT-SECBINFHSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](CN)[N@H+](C)CCc1cccs1 86440713 572939269 /nfs/dbraw/zinc/93/92/69/572939269.db2.gz IBPUAIVLIMACEW-SECBINFHSA-N 1 3 198.335 1.570 20 0 ADADHO C[C@H](CN)[N@@H+](C)CCc1cccs1 86440713 572939271 /nfs/dbraw/zinc/93/92/71/572939271.db2.gz IBPUAIVLIMACEW-SECBINFHSA-N 1 3 198.335 1.570 20 0 ADADHO CCCCC[C@@H](C)[NH2+][C@@H]1CCNC1 86726576 572975248 /nfs/dbraw/zinc/97/52/48/572975248.db2.gz FJDRRXPOZJHOAG-GHMZBOCLSA-N 1 3 184.327 1.907 20 0 ADADHO CCCCC[C@H](C)[NH2+][C@H]1CCNC1 86726583 572975280 /nfs/dbraw/zinc/97/52/80/572975280.db2.gz FJDRRXPOZJHOAG-QWRGUYRKSA-N 1 3 184.327 1.907 20 0 ADADHO CCCCC[C@H](C)[NH2+][C@@H]1CCNC1 86726579 572975323 /nfs/dbraw/zinc/97/53/23/572975323.db2.gz FJDRRXPOZJHOAG-WDEREUQCSA-N 1 3 184.327 1.907 20 0 ADADHO [NH3+]C1(CNC2CCC2)CCC1 88052100 573054488 /nfs/dbraw/zinc/05/44/88/573054488.db2.gz GZALHYMNSJORSY-UHFFFAOYSA-N 1 3 154.257 1.010 20 0 ADADHO CCOC[C@@H](C)NCCC(C)(C)[NH3+] 308240883 573055660 /nfs/dbraw/zinc/05/56/60/573055660.db2.gz YIBKCMBYTHWJEP-SECBINFHSA-N 1 3 188.315 1.128 20 0 ADADHO CCOC[C@H](C)NCCC(C)(C)[NH3+] 308240888 573056240 /nfs/dbraw/zinc/05/62/40/573056240.db2.gz YIBKCMBYTHWJEP-VIFPVBQESA-N 1 3 188.315 1.128 20 0 ADADHO Cc1cnccc1C[NH2+]C(C)(C)CN 308490509 573081724 /nfs/dbraw/zinc/08/17/24/573081724.db2.gz QKUKSKORGUIEFG-UHFFFAOYSA-N 1 3 193.294 1.217 20 0 ADADHO CC(C)([NH3+])CCNCc1ccccc1 82773073 573180636 /nfs/dbraw/zinc/18/06/36/573180636.db2.gz IXPLZWHOCGLWTM-UHFFFAOYSA-N 1 3 192.306 1.904 20 0 ADADHO CNCCC[N@@H+]1C[C@H]2CC=CC[C@H]2C1 308534675 573291231 /nfs/dbraw/zinc/29/12/31/573291231.db2.gz DCYRVLYQBQGOTA-TXEJJXNPSA-N 1 3 194.322 1.494 20 0 ADADHO CNCCC[N@H+]1C[C@H]2CC=CC[C@H]2C1 308534675 573291234 /nfs/dbraw/zinc/29/12/34/573291234.db2.gz DCYRVLYQBQGOTA-TXEJJXNPSA-N 1 3 194.322 1.494 20 0 ADADHO C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1CNC1 686244569 573315321 /nfs/dbraw/zinc/31/53/21/573315321.db2.gz UKRSULBZXPKHMP-ZJUUUORDSA-N 1 3 198.354 1.866 20 0 ADADHO C[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1CNC1 686244565 573316195 /nfs/dbraw/zinc/31/61/95/573316195.db2.gz UKRSULBZXPKHMP-UWVGGRQHSA-N 1 3 198.354 1.866 20 0 ADADHO CC(C)[C@H]1C[C@H](N)CC[N@@H+]1C 74342424 573327438 /nfs/dbraw/zinc/32/74/38/573327438.db2.gz DNBJHISJHLTYOS-RKDXNWHRSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[C@H]1C[C@H](N)CC[N@H+]1C 74342424 573327444 /nfs/dbraw/zinc/32/74/44/573327444.db2.gz DNBJHISJHLTYOS-RKDXNWHRSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[C@H]1C[C@H]([NH3+])CCN1C 74342424 573327451 /nfs/dbraw/zinc/32/74/51/573327451.db2.gz DNBJHISJHLTYOS-RKDXNWHRSA-N 1 3 156.273 1.064 20 0 ADADHO C[NH+](C)CCCNC[C@@H]1CCC=CO1 50267404 573340045 /nfs/dbraw/zinc/34/00/45/573340045.db2.gz VKBDXBXHJGAGGR-NSHDSACASA-N 1 3 198.310 1.220 20 0 ADADHO CC(C)C[C@@H]1C[C@H](N)CC[NH2+]1 107118421 573354936 /nfs/dbraw/zinc/35/49/36/573354936.db2.gz QXUSLLQPFRHENW-RKDXNWHRSA-N 1 3 156.273 1.112 20 0 ADADHO CC(C)C[C@@H]1C[C@H]([NH3+])CCN1 107118421 573354943 /nfs/dbraw/zinc/35/49/43/573354943.db2.gz QXUSLLQPFRHENW-RKDXNWHRSA-N 1 3 156.273 1.112 20 0 ADADHO CC(C)C[C@H]1C[C@@H](N)CC[NH2+]1 107118429 573355180 /nfs/dbraw/zinc/35/51/80/573355180.db2.gz QXUSLLQPFRHENW-IUCAKERBSA-N 1 3 156.273 1.112 20 0 ADADHO CC(C)C[C@H]1C[C@@H]([NH3+])CCN1 107118429 573355186 /nfs/dbraw/zinc/35/51/86/573355186.db2.gz QXUSLLQPFRHENW-IUCAKERBSA-N 1 3 156.273 1.112 20 0 ADADHO C[C@@H](CN)[N@H+](C)CCc1cccs1 86440711 573425750 /nfs/dbraw/zinc/42/57/50/573425750.db2.gz IBPUAIVLIMACEW-VIFPVBQESA-N 1 3 198.335 1.570 20 0 ADADHO C[C@@H](CN)[N@@H+](C)CCc1cccs1 86440711 573425754 /nfs/dbraw/zinc/42/57/54/573425754.db2.gz IBPUAIVLIMACEW-VIFPVBQESA-N 1 3 198.335 1.570 20 0 ADADHO CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 86494126 573463753 /nfs/dbraw/zinc/46/37/53/573463753.db2.gz JOFNDPRBZMNEPZ-MXWKQRLJSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C1CNC1 686245496 573489227 /nfs/dbraw/zinc/48/92/27/573489227.db2.gz WUQMMPVGCBLOKZ-WCABBAIRSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@H](C)C2CNC2)C1 686245495 573490148 /nfs/dbraw/zinc/49/01/48/573490148.db2.gz WUQMMPVGCBLOKZ-KKZNHRDASA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+][C@H](C)C2CNC2)C1 686245494 573492131 /nfs/dbraw/zinc/49/21/31/573492131.db2.gz WUQMMPVGCBLOKZ-FXPVBKGRSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H]([NH2+]CCC1CCC1)C1CNC1 686245884 573511496 /nfs/dbraw/zinc/51/14/96/573511496.db2.gz OXKIWFGROITSDY-VIFPVBQESA-N 1 3 182.311 1.374 20 0 ADADHO CCC(CC)C[NH2+]C[C@H](C)CNC 130418545 573535086 /nfs/dbraw/zinc/53/50/86/573535086.db2.gz HPCRNOUHARWPBS-SNVBAGLBSA-N 1 3 186.343 1.868 20 0 ADADHO CCC1CN(C[C@@H]2CCC[NH2+]C2)C1 86663242 573550990 /nfs/dbraw/zinc/55/09/90/573550990.db2.gz LHMHINDFPZDEBY-LLVKDONJSA-N 1 3 182.311 1.328 20 0 ADADHO CC1=CCN(C[C@@H]2CCC[NH2+]C2)CC1 75423268 573570841 /nfs/dbraw/zinc/57/08/41/573570841.db2.gz FXRJBSCEKKBHIG-GFCCVEGCSA-N 1 3 194.322 1.638 20 0 ADADHO CC1=CC[N@H+](C[C@@H]2CCCNC2)CC1 75423268 573570842 /nfs/dbraw/zinc/57/08/42/573570842.db2.gz FXRJBSCEKKBHIG-GFCCVEGCSA-N 1 3 194.322 1.638 20 0 ADADHO CC1=CC[N@@H+](C[C@@H]2CCCNC2)CC1 75423268 573570848 /nfs/dbraw/zinc/57/08/48/573570848.db2.gz FXRJBSCEKKBHIG-GFCCVEGCSA-N 1 3 194.322 1.638 20 0 ADADHO C[C@H](CCC[NH3+])N[C@H](C)c1ncc[nH]1 308640977 573588715 /nfs/dbraw/zinc/58/87/15/573588715.db2.gz DAUGIGCKBKOUME-RKDXNWHRSA-N 1 3 196.298 1.188 20 0 ADADHO C[C@H](N[C@H](C)CCC[NH3+])c1ncc[nH]1 308640974 573588384 /nfs/dbraw/zinc/58/83/84/573588384.db2.gz DAUGIGCKBKOUME-BDAKNGLRSA-N 1 3 196.298 1.188 20 0 ADADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1ncc[nH]1 308640976 573588670 /nfs/dbraw/zinc/58/86/70/573588670.db2.gz DAUGIGCKBKOUME-IUCAKERBSA-N 1 3 196.298 1.188 20 0 ADADHO C[C@@H](CCC[NH3+])N[C@H](C)c1ncc[nH]1 308640975 573589860 /nfs/dbraw/zinc/58/98/60/573589860.db2.gz DAUGIGCKBKOUME-DTWKUNHWSA-N 1 3 196.298 1.188 20 0 ADADHO CCN(C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 233486821 573667749 /nfs/dbraw/zinc/66/77/49/573667749.db2.gz NDXGZJHPPZTOPV-ZJUUUORDSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@H]1CCC[C@H](C[NH2+]C2CC(N)C2)C1 235629042 573673479 /nfs/dbraw/zinc/67/34/79/573673479.db2.gz NISUSNAXVIICRM-JYBOHDQNSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@@]1([NH+]2CCCC2)CCCNC1 238494193 573718274 /nfs/dbraw/zinc/71/82/74/573718274.db2.gz KEWSAYKPLIFQFJ-SNVBAGLBSA-N 1 3 168.284 1.224 20 0 ADADHO NC1(C[NH2+]Cc2cccc(F)c2)CC1 259241549 573928273 /nfs/dbraw/zinc/92/82/73/573928273.db2.gz ZEXCBKCILCEUGD-UHFFFAOYSA-N 1 3 194.253 1.407 20 0 ADADHO CNCCC[NH+]1CCCCCCC1 42409432 573939283 /nfs/dbraw/zinc/93/92/83/573939283.db2.gz GQTRIQUETJDIQL-UHFFFAOYSA-N 1 3 184.327 1.862 20 0 ADADHO CC[N@H+]1CCC[C@]12CCCNC2 211348121 573958573 /nfs/dbraw/zinc/95/85/73/573958573.db2.gz WKESJZPYHSLCQU-JTQLQIEISA-N 1 3 168.284 1.224 20 0 ADADHO CC[N@@H+]1CCC[C@]12CCCNC2 211348121 573958570 /nfs/dbraw/zinc/95/85/70/573958570.db2.gz WKESJZPYHSLCQU-JTQLQIEISA-N 1 3 168.284 1.224 20 0 ADADHO NC1CC([NH2+]CC2CCCCC2)C1 87651328 573994515 /nfs/dbraw/zinc/99/45/15/573994515.db2.gz MVVLXFJFALFBBZ-UHFFFAOYSA-N 1 3 182.311 1.646 20 0 ADADHO C[C@@H]1CCCC[C@H]1C[NH2+]C1CC(N)C1 87651791 573996717 /nfs/dbraw/zinc/99/67/17/573996717.db2.gz ACSHJACFYYKWPV-QKEWWQLBSA-N 1 3 196.338 1.892 20 0 ADADHO CC[C@@H](C)C[NH2+]C1CC(N)C1 87651893 573996926 /nfs/dbraw/zinc/99/69/26/573996926.db2.gz MTDSNWMLKTUPJT-AFPNSQJFSA-N 1 3 156.273 1.112 20 0 ADADHO CC(C)(C)C[NH2+]C1CC(N)C1 87651715 573997193 /nfs/dbraw/zinc/99/71/93/573997193.db2.gz BOPGKQMPMTUKHG-UHFFFAOYSA-N 1 3 156.273 1.112 20 0 ADADHO CC(C)(C)CNC1CC([NH3+])C1 87651715 573997196 /nfs/dbraw/zinc/99/71/96/573997196.db2.gz BOPGKQMPMTUKHG-UHFFFAOYSA-N 1 3 156.273 1.112 20 0 ADADHO C[C@H]1CCCC[C@H]1C[NH2+]C1CC(N)C1 87651792 573997328 /nfs/dbraw/zinc/99/73/28/573997328.db2.gz ACSHJACFYYKWPV-JYBOHDQNSA-N 1 3 196.338 1.892 20 0 ADADHO CC[C@H](C)C[NH2+]C1CC(N)C1 87651894 573997345 /nfs/dbraw/zinc/99/73/45/573997345.db2.gz MTDSNWMLKTUPJT-UEJVZZJDSA-N 1 3 156.273 1.112 20 0 ADADHO CN(CCF)C1CCC([NH3+])CC1 87774082 574028984 /nfs/dbraw/zinc/02/89/84/574028984.db2.gz CYRRTZDAURWVMN-UHFFFAOYSA-N 1 3 174.263 1.158 20 0 ADADHO CC[C@H]1CCC[C@@H]1NC[C@H]1CCC[NH2+]1 903458865 582624942 /nfs/dbraw/zinc/62/49/42/582624942.db2.gz LWIQNPGBXMECIF-TUAOUCFPSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@H](CN)C1 11891459 486710328 /nfs/dbraw/zinc/71/03/28/486710328.db2.gz QEQPZFZVTCDHIM-SNVBAGLBSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@H](CN)C[NH2+]C1CCCCCC1 11804679 486710184 /nfs/dbraw/zinc/71/01/84/486710184.db2.gz GJELSHXSQPTZSS-SNVBAGLBSA-N 1 3 184.327 1.894 20 0 ADADHO CCCCN1CC[C@@H](C[NH2+]C)C1 11891835 486710245 /nfs/dbraw/zinc/71/02/45/486710245.db2.gz TWGQMXGKPWPGOO-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO CCCC[N@@H+]1CC[C@@H](CNC)C1 11891835 486710250 /nfs/dbraw/zinc/71/02/50/486710250.db2.gz TWGQMXGKPWPGOO-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO CCCC[N@H+]1CC[C@@H](CNC)C1 11891835 486710254 /nfs/dbraw/zinc/71/02/54/486710254.db2.gz TWGQMXGKPWPGOO-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO CC(C)CC[N@H+]1CC[C@H](CN)C1 11891459 486710331 /nfs/dbraw/zinc/71/03/31/486710331.db2.gz QEQPZFZVTCDHIM-SNVBAGLBSA-N 1 3 170.300 1.313 20 0 ADADHO CCCCC[N@@H+]1CC[C@H](CN)C1 11891466 486710363 /nfs/dbraw/zinc/71/03/63/486710363.db2.gz YTWRYTKAYOHREO-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO CCCCC[N@H+]1CC[C@H](CN)C1 11891466 486710365 /nfs/dbraw/zinc/71/03/65/486710365.db2.gz YTWRYTKAYOHREO-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO CCCN1CCC[C@H](C[NH2+]C)C1 11888627 486710432 /nfs/dbraw/zinc/71/04/32/486710432.db2.gz GXBKIKBRCKREBJ-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO CCCN1CCC[C@@H](C[NH2+]C)C1 11888625 486710399 /nfs/dbraw/zinc/71/03/99/486710399.db2.gz GXBKIKBRCKREBJ-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO C[C@H](CN)C[NH2+]C1CCCC1 11804615 486710652 /nfs/dbraw/zinc/71/06/52/486710652.db2.gz CYGWVBBZOVLAMH-MRVPVSSYSA-N 1 3 156.273 1.113 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@@H](CN)C1 11891456 486710666 /nfs/dbraw/zinc/71/06/66/486710666.db2.gz QEQPZFZVTCDHIM-JTQLQIEISA-N 1 3 170.300 1.313 20 0 ADADHO CC(C)CC[N@H+]1CC[C@@H](CN)C1 11891456 486710670 /nfs/dbraw/zinc/71/06/70/486710670.db2.gz QEQPZFZVTCDHIM-JTQLQIEISA-N 1 3 170.300 1.313 20 0 ADADHO CCCCC[N@@H+]1CC[C@@H](CN)C1 11891463 486710704 /nfs/dbraw/zinc/71/07/04/486710704.db2.gz YTWRYTKAYOHREO-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO CCCCC[N@H+]1CC[C@@H](CN)C1 11891463 486710708 /nfs/dbraw/zinc/71/07/08/486710708.db2.gz YTWRYTKAYOHREO-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO C[C@H](CN)C[NH2+]C1CCCCC1 11804622 486710783 /nfs/dbraw/zinc/71/07/83/486710783.db2.gz KDJHADZNQZHIIR-SECBINFHSA-N 1 3 170.300 1.504 20 0 ADADHO CCCCCN1CC[C@H](C[NH2+]C)C1 11892106 486711050 /nfs/dbraw/zinc/71/10/50/486711050.db2.gz MEEBSCVMUCPBHH-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CCCCC[N@@H+]1CC[C@H](CNC)C1 11892106 486711054 /nfs/dbraw/zinc/71/10/54/486711054.db2.gz MEEBSCVMUCPBHH-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CCCCC[N@H+]1CC[C@H](CNC)C1 11892106 486711057 /nfs/dbraw/zinc/71/10/57/486711057.db2.gz MEEBSCVMUCPBHH-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CCCCN1CC[C@H](C[NH2+]C)C1 11891843 486711084 /nfs/dbraw/zinc/71/10/84/486711084.db2.gz TWGQMXGKPWPGOO-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO CCCC[N@@H+]1CC[C@H](CNC)C1 11891843 486711086 /nfs/dbraw/zinc/71/10/86/486711086.db2.gz TWGQMXGKPWPGOO-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO CCCC[N@H+]1CC[C@H](CNC)C1 11891843 486711089 /nfs/dbraw/zinc/71/10/89/486711089.db2.gz TWGQMXGKPWPGOO-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO CCCCCN1CC[C@@H](C[NH2+]C)C1 11892102 486711356 /nfs/dbraw/zinc/71/13/56/486711356.db2.gz MEEBSCVMUCPBHH-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CCCCC[N@@H+]1CC[C@@H](CNC)C1 11892102 486711357 /nfs/dbraw/zinc/71/13/57/486711357.db2.gz MEEBSCVMUCPBHH-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CCCCC[N@H+]1CC[C@@H](CNC)C1 11892102 486711362 /nfs/dbraw/zinc/71/13/62/486711362.db2.gz MEEBSCVMUCPBHH-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO NCCC[N@H+](C1CCCC1)C1CC1 36732087 486717450 /nfs/dbraw/zinc/71/74/50/486717450.db2.gz UYYQVOUSNCHUST-UHFFFAOYSA-N 1 3 182.311 1.742 20 0 ADADHO CCCCCN1CCC([NH3+])CC1 19395220 486712261 /nfs/dbraw/zinc/71/22/61/486712261.db2.gz YBHMJIFMWVSVJQ-UHFFFAOYSA-N 1 3 170.300 1.600 20 0 ADADHO Cc1ccccc1CN(C)CCC[NH3+] 19834715 486712759 /nfs/dbraw/zinc/71/27/59/486712759.db2.gz MUJVVCUYXSOFAF-UHFFFAOYSA-N 1 3 192.306 1.776 20 0 ADADHO Cc1ccc(CN(C)CCC[NH3+])cc1 19834704 486712896 /nfs/dbraw/zinc/71/28/96/486712896.db2.gz FQSTUMPHRSYJFK-UHFFFAOYSA-N 1 3 192.306 1.776 20 0 ADADHO CCCCCN1CCC[C@@H]1C[NH3+] 19843272 486712952 /nfs/dbraw/zinc/71/29/52/486712952.db2.gz ZZKVXHWYCZZSLZ-SNVBAGLBSA-N 1 3 170.300 1.600 20 0 ADADHO C[N@H+](CCCN)CC1CCCCC1 19834775 486712986 /nfs/dbraw/zinc/71/29/86/486712986.db2.gz ABPBYBJABPOYNF-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO C[N@@H+](CCCN)CC1CCCCC1 19834775 486712990 /nfs/dbraw/zinc/71/29/90/486712990.db2.gz ABPBYBJABPOYNF-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO CN(CCC[NH3+])CC1CCCCC1 19834775 486712994 /nfs/dbraw/zinc/71/29/94/486712994.db2.gz ABPBYBJABPOYNF-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO CC(C)CC[N@H+](C)CCCN 19834737 486713213 /nfs/dbraw/zinc/71/32/13/486713213.db2.gz XCERKVZFJVGRMP-UHFFFAOYSA-N 1 3 158.289 1.313 20 0 ADADHO CC(C)CC[N@@H+](C)CCCN 19834737 486713218 /nfs/dbraw/zinc/71/32/18/486713218.db2.gz XCERKVZFJVGRMP-UHFFFAOYSA-N 1 3 158.289 1.313 20 0 ADADHO CC(C)CCN(C)CCC[NH3+] 19834737 486713221 /nfs/dbraw/zinc/71/32/21/486713221.db2.gz XCERKVZFJVGRMP-UHFFFAOYSA-N 1 3 158.289 1.313 20 0 ADADHO CCCCC[N@H+](C)CCCN 19834742 486713476 /nfs/dbraw/zinc/71/34/76/486713476.db2.gz IYORFDMJPMUUQE-UHFFFAOYSA-N 1 3 158.289 1.457 20 0 ADADHO CCCCC[N@@H+](C)CCCN 19834742 486713479 /nfs/dbraw/zinc/71/34/79/486713479.db2.gz IYORFDMJPMUUQE-UHFFFAOYSA-N 1 3 158.289 1.457 20 0 ADADHO CCCCCN(C)CCC[NH3+] 19834742 486713483 /nfs/dbraw/zinc/71/34/83/486713483.db2.gz IYORFDMJPMUUQE-UHFFFAOYSA-N 1 3 158.289 1.457 20 0 ADADHO CC[C@H](C)[N@H+](C)CCCN 20217312 486713920 /nfs/dbraw/zinc/71/39/20/486713920.db2.gz KYBJTNXNGKCCHP-QMMMGPOBSA-N 1 3 144.262 1.066 20 0 ADADHO CC[C@H](C)[N@@H+](C)CCCN 20217312 486713925 /nfs/dbraw/zinc/71/39/25/486713925.db2.gz KYBJTNXNGKCCHP-QMMMGPOBSA-N 1 3 144.262 1.066 20 0 ADADHO CC[C@H](C)N(C)CCC[NH3+] 20217312 486713929 /nfs/dbraw/zinc/71/39/29/486713929.db2.gz KYBJTNXNGKCCHP-QMMMGPOBSA-N 1 3 144.262 1.066 20 0 ADADHO CC[C@@H](C)[N@H+](C)CCCN 20217311 486714317 /nfs/dbraw/zinc/71/43/17/486714317.db2.gz KYBJTNXNGKCCHP-MRVPVSSYSA-N 1 3 144.262 1.066 20 0 ADADHO CC[C@@H](C)[N@@H+](C)CCCN 20217311 486714323 /nfs/dbraw/zinc/71/43/23/486714323.db2.gz KYBJTNXNGKCCHP-MRVPVSSYSA-N 1 3 144.262 1.066 20 0 ADADHO CC[C@@H](C)N(C)CCC[NH3+] 20217311 486714327 /nfs/dbraw/zinc/71/43/27/486714327.db2.gz KYBJTNXNGKCCHP-MRVPVSSYSA-N 1 3 144.262 1.066 20 0 ADADHO CCCC[N@H+](CCCN)C1CC1 36732067 486716912 /nfs/dbraw/zinc/71/69/12/486716912.db2.gz SEGAQSOHVBHVRD-UHFFFAOYSA-N 1 3 170.300 1.600 20 0 ADADHO CCCC[N@@H+](CCCN)C1CC1 36732067 486716916 /nfs/dbraw/zinc/71/69/16/486716916.db2.gz SEGAQSOHVBHVRD-UHFFFAOYSA-N 1 3 170.300 1.600 20 0 ADADHO CCCCN(CCC[NH3+])C1CC1 36732067 486716919 /nfs/dbraw/zinc/71/69/19/486716919.db2.gz SEGAQSOHVBHVRD-UHFFFAOYSA-N 1 3 170.300 1.600 20 0 ADADHO CC[C@@H]1CCC[N@H+](CCCN)C1 36169008 486717366 /nfs/dbraw/zinc/71/73/66/486717366.db2.gz YNYOZJSNZYOCHS-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO CC(C)[N@H+](CCCN)C1CC1 36732086 486717197 /nfs/dbraw/zinc/71/71/97/486717197.db2.gz GUDSKGNJENPVCC-UHFFFAOYSA-N 1 3 156.273 1.208 20 0 ADADHO CC(C)[N@@H+](CCCN)C1CC1 36732086 486717200 /nfs/dbraw/zinc/71/72/00/486717200.db2.gz GUDSKGNJENPVCC-UHFFFAOYSA-N 1 3 156.273 1.208 20 0 ADADHO CC(C)N(CCC[NH3+])C1CC1 36732086 486717204 /nfs/dbraw/zinc/71/72/04/486717204.db2.gz GUDSKGNJENPVCC-UHFFFAOYSA-N 1 3 156.273 1.208 20 0 ADADHO CC[C@H]1CCC[N@H+](CCCN)C1 36169009 486717267 /nfs/dbraw/zinc/71/72/67/486717267.db2.gz YNYOZJSNZYOCHS-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO CC[C@H]1CCC[N@@H+](CCCN)C1 36169009 486717269 /nfs/dbraw/zinc/71/72/69/486717269.db2.gz YNYOZJSNZYOCHS-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO CC[C@H]1CCCN(CCC[NH3+])C1 36169009 486717273 /nfs/dbraw/zinc/71/72/73/486717273.db2.gz YNYOZJSNZYOCHS-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO CC[C@@H]1CCC[N@@H+](CCCN)C1 36169008 486717368 /nfs/dbraw/zinc/71/73/68/486717368.db2.gz YNYOZJSNZYOCHS-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO CC[C@@H]1CCCN(CCC[NH3+])C1 36169008 486717370 /nfs/dbraw/zinc/71/73/70/486717370.db2.gz YNYOZJSNZYOCHS-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO NCCC[N@@H+](C1CCCC1)C1CC1 36732087 486717447 /nfs/dbraw/zinc/71/74/47/486717447.db2.gz UYYQVOUSNCHUST-UHFFFAOYSA-N 1 3 182.311 1.742 20 0 ADADHO CCC[C@@H](C)[N@H+](C)CCCN 36790044 486717735 /nfs/dbraw/zinc/71/77/35/486717735.db2.gz WDFSYAFXFOICQK-SECBINFHSA-N 1 3 158.289 1.456 20 0 ADADHO CCC[C@@H](C)[N@@H+](C)CCCN 36790044 486717738 /nfs/dbraw/zinc/71/77/38/486717738.db2.gz WDFSYAFXFOICQK-SECBINFHSA-N 1 3 158.289 1.456 20 0 ADADHO CCC[C@@H](C)N(C)CCC[NH3+] 36790044 486717741 /nfs/dbraw/zinc/71/77/41/486717741.db2.gz WDFSYAFXFOICQK-SECBINFHSA-N 1 3 158.289 1.456 20 0 ADADHO CCC[N@H+](CC)CCCN 36883444 486717761 /nfs/dbraw/zinc/71/77/61/486717761.db2.gz AYCHCUJFVCOBMJ-UHFFFAOYSA-N 1 3 144.262 1.067 20 0 ADADHO CCC[N@@H+](CC)CCCN 36883444 486717764 /nfs/dbraw/zinc/71/77/64/486717764.db2.gz AYCHCUJFVCOBMJ-UHFFFAOYSA-N 1 3 144.262 1.067 20 0 ADADHO CCCN(CC)CCC[NH3+] 36883444 486717766 /nfs/dbraw/zinc/71/77/66/486717766.db2.gz AYCHCUJFVCOBMJ-UHFFFAOYSA-N 1 3 144.262 1.067 20 0 ADADHO C[C@H](C1CC1)[N@H+](C)CCCN 36783194 486718068 /nfs/dbraw/zinc/71/80/68/486718068.db2.gz IBIFSONMKAEGAP-MRVPVSSYSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H](C1CC1)[N@@H+](C)CCCN 36783194 486718075 /nfs/dbraw/zinc/71/80/75/486718075.db2.gz IBIFSONMKAEGAP-MRVPVSSYSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H](C1CC1)N(C)CCC[NH3+] 36783194 486718078 /nfs/dbraw/zinc/71/80/78/486718078.db2.gz IBIFSONMKAEGAP-MRVPVSSYSA-N 1 3 156.273 1.066 20 0 ADADHO CC[N@H+](CCCN)CC(C)C 36883443 486718026 /nfs/dbraw/zinc/71/80/26/486718026.db2.gz WKRUSBVTKPHBIS-UHFFFAOYSA-N 1 3 158.289 1.313 20 0 ADADHO CC[N@@H+](CCCN)CC(C)C 36883443 486718032 /nfs/dbraw/zinc/71/80/32/486718032.db2.gz WKRUSBVTKPHBIS-UHFFFAOYSA-N 1 3 158.289 1.313 20 0 ADADHO CC(C)[N@H+](CCCN)CC1CC1 36765321 486718102 /nfs/dbraw/zinc/71/81/02/486718102.db2.gz NQQSYRUDNFQIJC-UHFFFAOYSA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)[N@@H+](CCCN)CC1CC1 36765321 486718107 /nfs/dbraw/zinc/71/81/07/486718107.db2.gz NQQSYRUDNFQIJC-UHFFFAOYSA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)C[N@H+](CCCN)C1CC1 36883463 486718145 /nfs/dbraw/zinc/71/81/45/486718145.db2.gz REJBTMBGEWGZCR-UHFFFAOYSA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)C[N@@H+](CCCN)C1CC1 36883463 486718146 /nfs/dbraw/zinc/71/81/46/486718146.db2.gz REJBTMBGEWGZCR-UHFFFAOYSA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)CN(CCC[NH3+])C1CC1 36883463 486718151 /nfs/dbraw/zinc/71/81/51/486718151.db2.gz REJBTMBGEWGZCR-UHFFFAOYSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[C@H](C)[N@H+](C)CCCN 36790045 486718171 /nfs/dbraw/zinc/71/81/71/486718171.db2.gz WDFSYAFXFOICQK-VIFPVBQESA-N 1 3 158.289 1.456 20 0 ADADHO CCC[C@H](C)[N@@H+](C)CCCN 36790045 486718176 /nfs/dbraw/zinc/71/81/76/486718176.db2.gz WDFSYAFXFOICQK-VIFPVBQESA-N 1 3 158.289 1.456 20 0 ADADHO CCC[C@H](C)N(C)CCC[NH3+] 36790045 486718181 /nfs/dbraw/zinc/71/81/81/486718181.db2.gz WDFSYAFXFOICQK-VIFPVBQESA-N 1 3 158.289 1.456 20 0 ADADHO CCC[N@H+](CCCN)C1CC1 36883466 486718231 /nfs/dbraw/zinc/71/82/31/486718231.db2.gz DMDMZPAMHHXMNJ-UHFFFAOYSA-N 1 3 156.273 1.210 20 0 ADADHO CCC[N@@H+](CCCN)C1CC1 36883466 486718233 /nfs/dbraw/zinc/71/82/33/486718233.db2.gz DMDMZPAMHHXMNJ-UHFFFAOYSA-N 1 3 156.273 1.210 20 0 ADADHO CCCN(CCC[NH3+])C1CC1 36883466 486718236 /nfs/dbraw/zinc/71/82/36/486718236.db2.gz DMDMZPAMHHXMNJ-UHFFFAOYSA-N 1 3 156.273 1.210 20 0 ADADHO CC(C)CC[N@H+](CCCN)C1CC1 36883462 486718247 /nfs/dbraw/zinc/71/82/47/486718247.db2.gz XIYNZFITNHKSBA-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)CC[N@@H+](CCCN)C1CC1 36883462 486718251 /nfs/dbraw/zinc/71/82/51/486718251.db2.gz XIYNZFITNHKSBA-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)CCN(CCC[NH3+])C1CC1 36883462 486718253 /nfs/dbraw/zinc/71/82/53/486718253.db2.gz XIYNZFITNHKSBA-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO CC[N@H+](CCCN)CC1CC1 36765320 486718304 /nfs/dbraw/zinc/71/83/04/486718304.db2.gz XCBSOAOPRRDBJS-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO CC[N@@H+](CCCN)CC1CC1 36765320 486718307 /nfs/dbraw/zinc/71/83/07/486718307.db2.gz XCBSOAOPRRDBJS-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO CCN(CCC[NH3+])CC1CC1 36765320 486718309 /nfs/dbraw/zinc/71/83/09/486718309.db2.gz XCBSOAOPRRDBJS-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO CC(C)[C@H](C)[N@H+](C)CCCN 36786670 486718351 /nfs/dbraw/zinc/71/83/51/486718351.db2.gz SCOFUSYMHMJPSG-VIFPVBQESA-N 1 3 158.289 1.312 20 0 ADADHO CC(C)[C@H](C)[N@@H+](C)CCCN 36786670 486718355 /nfs/dbraw/zinc/71/83/55/486718355.db2.gz SCOFUSYMHMJPSG-VIFPVBQESA-N 1 3 158.289 1.312 20 0 ADADHO CC(C)[C@@H](C)[N@H+](C)CCCN 36786669 486718507 /nfs/dbraw/zinc/71/85/07/486718507.db2.gz SCOFUSYMHMJPSG-SECBINFHSA-N 1 3 158.289 1.312 20 0 ADADHO CC(C)[C@@H](C)[N@@H+](C)CCCN 36786669 486718508 /nfs/dbraw/zinc/71/85/08/486718508.db2.gz SCOFUSYMHMJPSG-SECBINFHSA-N 1 3 158.289 1.312 20 0 ADADHO C[C@@H](C1CC1)[N@H+](C)CCCN 36783193 486718513 /nfs/dbraw/zinc/71/85/13/486718513.db2.gz IBIFSONMKAEGAP-QMMMGPOBSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@H](C1CC1)[N@@H+](C)CCCN 36783193 486718514 /nfs/dbraw/zinc/71/85/14/486718514.db2.gz IBIFSONMKAEGAP-QMMMGPOBSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@H](C1CC1)N(C)CCC[NH3+] 36783193 486718515 /nfs/dbraw/zinc/71/85/15/486718515.db2.gz IBIFSONMKAEGAP-QMMMGPOBSA-N 1 3 156.273 1.066 20 0 ADADHO CC[C@H](C)C[N@H+](C)CCCN 37172423 486719115 /nfs/dbraw/zinc/71/91/15/486719115.db2.gz CMELUHNBDDKUMZ-VIFPVBQESA-N 1 3 158.289 1.313 20 0 ADADHO CC[C@H](C)C[N@@H+](C)CCCN 37172423 486719122 /nfs/dbraw/zinc/71/91/22/486719122.db2.gz CMELUHNBDDKUMZ-VIFPVBQESA-N 1 3 158.289 1.313 20 0 ADADHO CC[C@H](C)CN(C)CCC[NH3+] 37172423 486719125 /nfs/dbraw/zinc/71/91/25/486719125.db2.gz CMELUHNBDDKUMZ-VIFPVBQESA-N 1 3 158.289 1.313 20 0 ADADHO CC[C@@H](C)C[N@H+](C)CCCN 37172422 486719483 /nfs/dbraw/zinc/71/94/83/486719483.db2.gz CMELUHNBDDKUMZ-SECBINFHSA-N 1 3 158.289 1.313 20 0 ADADHO CC[C@@H](C)C[N@@H+](C)CCCN 37172422 486719485 /nfs/dbraw/zinc/71/94/85/486719485.db2.gz CMELUHNBDDKUMZ-SECBINFHSA-N 1 3 158.289 1.313 20 0 ADADHO CC[C@@H](C)CN(C)CCC[NH3+] 37172422 486719486 /nfs/dbraw/zinc/71/94/86/486719486.db2.gz CMELUHNBDDKUMZ-SECBINFHSA-N 1 3 158.289 1.313 20 0 ADADHO C[C@@H]1CCCC[C@@H]1[NH2+]CCCN 37713108 486720812 /nfs/dbraw/zinc/72/08/12/486720812.db2.gz UAZPNKUSWARNLV-ZJUUUORDSA-N 1 3 170.300 1.504 20 0 ADADHO C[C@@H]1CCCC[C@H]1[NH2+]CCCN 37713110 486720844 /nfs/dbraw/zinc/72/08/44/486720844.db2.gz UAZPNKUSWARNLV-NXEZZACHSA-N 1 3 170.300 1.504 20 0 ADADHO C[C@H]1CCCC[C@@H]1[NH2+]CCCN 37713109 486720917 /nfs/dbraw/zinc/72/09/17/486720917.db2.gz UAZPNKUSWARNLV-UWVGGRQHSA-N 1 3 170.300 1.504 20 0 ADADHO C[C@H]1CCCC[C@H]1[NH2+]CCCN 37713111 486721129 /nfs/dbraw/zinc/72/11/29/486721129.db2.gz UAZPNKUSWARNLV-VHSXEESVSA-N 1 3 170.300 1.504 20 0 ADADHO C[N@H+](CCCN)CC1CCCC1 42011093 486723971 /nfs/dbraw/zinc/72/39/71/486723971.db2.gz QXMDHOAEKLTJAE-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO C[N@@H+](CCCN)CC1CCCC1 42011093 486723977 /nfs/dbraw/zinc/72/39/77/486723977.db2.gz QXMDHOAEKLTJAE-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CN(CCC[NH3+])CC1CCCC1 42011093 486723979 /nfs/dbraw/zinc/72/39/79/486723979.db2.gz QXMDHOAEKLTJAE-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO NCCC[NH2+]CCc1ccc(F)cc1 41620057 486724399 /nfs/dbraw/zinc/72/43/99/486724399.db2.gz MTKQSDGOVBQCBA-UHFFFAOYSA-N 1 3 196.269 1.307 20 0 ADADHO [NH3+]CCCNCCc1ccc(F)cc1 41620057 486724403 /nfs/dbraw/zinc/72/44/03/486724403.db2.gz MTKQSDGOVBQCBA-UHFFFAOYSA-N 1 3 196.269 1.307 20 0 ADADHO CC[N@H+](CCCNC)CC(C)C 42409475 486724687 /nfs/dbraw/zinc/72/46/87/486724687.db2.gz JGGSKUSCGNASLE-UHFFFAOYSA-N 1 3 172.316 1.574 20 0 ADADHO CC[N@@H+](CCCNC)CC(C)C 42409475 486724696 /nfs/dbraw/zinc/72/46/96/486724696.db2.gz JGGSKUSCGNASLE-UHFFFAOYSA-N 1 3 172.316 1.574 20 0 ADADHO CCC[N@H+](CC)CCCNC 42409507 486724833 /nfs/dbraw/zinc/72/48/33/486724833.db2.gz NYLXWEPRFOKXAM-UHFFFAOYSA-N 1 3 158.289 1.328 20 0 ADADHO CCC[N@@H+](CC)CCCNC 42409507 486724839 /nfs/dbraw/zinc/72/48/39/486724839.db2.gz NYLXWEPRFOKXAM-UHFFFAOYSA-N 1 3 158.289 1.328 20 0 ADADHO CCCN(CC)CCC[NH2+]C 42409507 486724844 /nfs/dbraw/zinc/72/48/44/486724844.db2.gz NYLXWEPRFOKXAM-UHFFFAOYSA-N 1 3 158.289 1.328 20 0 ADADHO CNCCC[N@H+](C)[C@H](C)C(C)C 42409632 486724867 /nfs/dbraw/zinc/72/48/67/486724867.db2.gz NHJMGSREYJMRFV-SNVBAGLBSA-N 1 3 172.316 1.572 20 0 ADADHO CNCCC[N@@H+](C)[C@H](C)C(C)C 42409632 486724874 /nfs/dbraw/zinc/72/48/74/486724874.db2.gz NHJMGSREYJMRFV-SNVBAGLBSA-N 1 3 172.316 1.572 20 0 ADADHO CNCCC[NH+]1C[C@H](C)C[C@@H](C)C1 42409262 486724944 /nfs/dbraw/zinc/72/49/44/486724944.db2.gz YMWHGWMLGXZBSA-GHMZBOCLSA-N 1 3 184.327 1.574 20 0 ADADHO CNCCC[N@H+](C)[C@@H](C)C(C)C 42409633 486724963 /nfs/dbraw/zinc/72/49/63/486724963.db2.gz NHJMGSREYJMRFV-JTQLQIEISA-N 1 3 172.316 1.572 20 0 ADADHO CNCCC[N@@H+](C)[C@@H](C)C(C)C 42409633 486724967 /nfs/dbraw/zinc/72/49/67/486724967.db2.gz NHJMGSREYJMRFV-JTQLQIEISA-N 1 3 172.316 1.572 20 0 ADADHO CNCCC[N@H+]1[C@@H](C)CCC[C@H]1C 42409320 486725016 /nfs/dbraw/zinc/72/50/16/486725016.db2.gz UTQJTOOEIZYMOC-PHIMTYICSA-N 1 3 184.327 1.859 20 0 ADADHO CNCCC[N@@H+]1[C@@H](C)CCC[C@H]1C 42409320 486725013 /nfs/dbraw/zinc/72/50/13/486725013.db2.gz UTQJTOOEIZYMOC-PHIMTYICSA-N 1 3 184.327 1.859 20 0 ADADHO C[NH2+]CCCN(C)C1CCCC1 42409488 486725257 /nfs/dbraw/zinc/72/52/57/486725257.db2.gz PXVQCFPGPMYQLD-UHFFFAOYSA-N 1 3 170.300 1.470 20 0 ADADHO CCCCCN(C)CCC[NH2+]C 42409531 486725033 /nfs/dbraw/zinc/72/50/33/486725033.db2.gz QEOJWGPRCKZCIZ-UHFFFAOYSA-N 1 3 172.316 1.718 20 0 ADADHO CCCCC[N@H+](C)CCCNC 42409531 486725037 /nfs/dbraw/zinc/72/50/37/486725037.db2.gz QEOJWGPRCKZCIZ-UHFFFAOYSA-N 1 3 172.316 1.718 20 0 ADADHO CCCCC[N@@H+](C)CCCNC 42409531 486725041 /nfs/dbraw/zinc/72/50/41/486725041.db2.gz QEOJWGPRCKZCIZ-UHFFFAOYSA-N 1 3 172.316 1.718 20 0 ADADHO CNCCC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 42409260 486725097 /nfs/dbraw/zinc/72/50/97/486725097.db2.gz YMWHGWMLGXZBSA-PHIMTYICSA-N 1 3 184.327 1.574 20 0 ADADHO CNCCC[N@H+]1C[C@@H](C)C[C@@H](C)C1 42409260 486725102 /nfs/dbraw/zinc/72/51/02/486725102.db2.gz YMWHGWMLGXZBSA-PHIMTYICSA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@H](C)CN(C)CCC[NH2+]C 42409526 486725235 /nfs/dbraw/zinc/72/52/35/486725235.db2.gz LOKYZYGQWXZKGG-JTQLQIEISA-N 1 3 172.316 1.574 20 0 ADADHO CC[C@H](C)C[N@H+](C)CCCNC 42409526 486725239 /nfs/dbraw/zinc/72/52/39/486725239.db2.gz LOKYZYGQWXZKGG-JTQLQIEISA-N 1 3 172.316 1.574 20 0 ADADHO CC[C@H](C)C[N@@H+](C)CCCNC 42409526 486725242 /nfs/dbraw/zinc/72/52/42/486725242.db2.gz LOKYZYGQWXZKGG-JTQLQIEISA-N 1 3 172.316 1.574 20 0 ADADHO CNCCC[N@H+](C)C1CCCC1 42409488 486725252 /nfs/dbraw/zinc/72/52/52/486725252.db2.gz PXVQCFPGPMYQLD-UHFFFAOYSA-N 1 3 170.300 1.470 20 0 ADADHO CNCCC[N@@H+](C)C1CCCC1 42409488 486725254 /nfs/dbraw/zinc/72/52/54/486725254.db2.gz PXVQCFPGPMYQLD-UHFFFAOYSA-N 1 3 170.300 1.470 20 0 ADADHO CNCCC[NH+]1[C@@H](C)CCC[C@@H]1C 42409321 486725290 /nfs/dbraw/zinc/72/52/90/486725290.db2.gz UTQJTOOEIZYMOC-QWRGUYRKSA-N 1 3 184.327 1.859 20 0 ADADHO CNCCC[NH+]1[C@H](C)CCC[C@H]1C 42409322 486725393 /nfs/dbraw/zinc/72/53/93/486725393.db2.gz UTQJTOOEIZYMOC-GHMZBOCLSA-N 1 3 184.327 1.859 20 0 ADADHO CCN(CCC[NH2+]C)C1CC1 42409495 486725443 /nfs/dbraw/zinc/72/54/43/486725443.db2.gz KXSAVLMPALEUHF-UHFFFAOYSA-N 1 3 156.273 1.080 20 0 ADADHO CC[C@@H](C)CN(C)CCC[NH2+]C 42409525 486725479 /nfs/dbraw/zinc/72/54/79/486725479.db2.gz LOKYZYGQWXZKGG-SNVBAGLBSA-N 1 3 172.316 1.574 20 0 ADADHO CC[C@@H](C)C[N@H+](C)CCCNC 42409525 486725482 /nfs/dbraw/zinc/72/54/82/486725482.db2.gz LOKYZYGQWXZKGG-SNVBAGLBSA-N 1 3 172.316 1.574 20 0 ADADHO CC[C@@H](C)C[N@@H+](C)CCCNC 42409525 486725486 /nfs/dbraw/zinc/72/54/86/486725486.db2.gz LOKYZYGQWXZKGG-SNVBAGLBSA-N 1 3 172.316 1.574 20 0 ADADHO CC[C@H]1CCCN(CCC[NH2+]C)C1 42409610 486725504 /nfs/dbraw/zinc/72/55/04/486725504.db2.gz CRDWVLGPCHYHDN-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@H]1CCC[N@H+](CCCNC)C1 42409610 486725510 /nfs/dbraw/zinc/72/55/10/486725510.db2.gz CRDWVLGPCHYHDN-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@H]1CCC[N@@H+](CCCNC)C1 42409610 486725515 /nfs/dbraw/zinc/72/55/15/486725515.db2.gz CRDWVLGPCHYHDN-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CCCCN(C)CCC[NH2+]C 42409361 486725534 /nfs/dbraw/zinc/72/55/34/486725534.db2.gz SXWJIMGCACRJFH-UHFFFAOYSA-N 1 3 158.289 1.328 20 0 ADADHO CCCC[N@H+](C)CCCNC 42409361 486725542 /nfs/dbraw/zinc/72/55/42/486725542.db2.gz SXWJIMGCACRJFH-UHFFFAOYSA-N 1 3 158.289 1.328 20 0 ADADHO CCCC[N@@H+](C)CCCNC 42409361 486725546 /nfs/dbraw/zinc/72/55/46/486725546.db2.gz SXWJIMGCACRJFH-UHFFFAOYSA-N 1 3 158.289 1.328 20 0 ADADHO CC[C@H]1CCCC[N@@H+]1CCCNC 42409492 486725743 /nfs/dbraw/zinc/72/57/43/486725743.db2.gz JLXYCVZSEQQJAP-NSHDSACASA-N 1 3 184.327 1.860 20 0 ADADHO CC[C@H]1CCCC[N@H+]1CCCNC 42409492 486725749 /nfs/dbraw/zinc/72/57/49/486725749.db2.gz JLXYCVZSEQQJAP-NSHDSACASA-N 1 3 184.327 1.860 20 0 ADADHO CC[C@@H]1CCCN(CCC[NH2+]C)C1 42409609 486725831 /nfs/dbraw/zinc/72/58/31/486725831.db2.gz CRDWVLGPCHYHDN-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@@H]1CCC[N@H+](CCCNC)C1 42409609 486725834 /nfs/dbraw/zinc/72/58/34/486725834.db2.gz CRDWVLGPCHYHDN-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@@H]1CCC[N@@H+](CCCNC)C1 42409609 486725840 /nfs/dbraw/zinc/72/58/40/486725840.db2.gz CRDWVLGPCHYHDN-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[NH+]1C[C@@H](C)C[C@H](C)C1 42409261 486725869 /nfs/dbraw/zinc/72/58/69/486725869.db2.gz YMWHGWMLGXZBSA-QWRGUYRKSA-N 1 3 184.327 1.574 20 0 ADADHO C[NH2+]CCCN1CCC[C@H](C)C1 42409217 486725921 /nfs/dbraw/zinc/72/59/21/486725921.db2.gz SJTWXQFSHHFCGI-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO CNCCC[N@@H+]1CCC[C@@H]1C 42409130 486725941 /nfs/dbraw/zinc/72/59/41/486725941.db2.gz XZENLSOBCOTUCW-VIFPVBQESA-N 1 3 156.273 1.080 20 0 ADADHO CNCCC[N@H+]1CCC[C@@H]1C 42409130 486725947 /nfs/dbraw/zinc/72/59/47/486725947.db2.gz XZENLSOBCOTUCW-VIFPVBQESA-N 1 3 156.273 1.080 20 0 ADADHO C[NH2+]CCCN1CCC[C@@H]1C 42409130 486725951 /nfs/dbraw/zinc/72/59/51/486725951.db2.gz XZENLSOBCOTUCW-VIFPVBQESA-N 1 3 156.273 1.080 20 0 ADADHO C[NH2+]CCCN1CCC[C@@H](C)C1 42409216 486725967 /nfs/dbraw/zinc/72/59/67/486725967.db2.gz SJTWXQFSHHFCGI-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO CC[C@H](C)[N@H+](CC)CCCNC 42409468 486726023 /nfs/dbraw/zinc/72/60/23/486726023.db2.gz UMJXRWCOCMHPTI-JTQLQIEISA-N 1 3 172.316 1.716 20 0 ADADHO CC[C@H](C)[N@@H+](CC)CCCNC 42409468 486726027 /nfs/dbraw/zinc/72/60/27/486726027.db2.gz UMJXRWCOCMHPTI-JTQLQIEISA-N 1 3 172.316 1.716 20 0 ADADHO CC[C@@H](C)[N@H+](CC)CCCNC 42409467 486726069 /nfs/dbraw/zinc/72/60/69/486726069.db2.gz UMJXRWCOCMHPTI-SNVBAGLBSA-N 1 3 172.316 1.716 20 0 ADADHO CC[C@@H](C)[N@@H+](CC)CCCNC 42409467 486726074 /nfs/dbraw/zinc/72/60/74/486726074.db2.gz UMJXRWCOCMHPTI-SNVBAGLBSA-N 1 3 172.316 1.716 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+]C1CCNCC1 42554409 486726474 /nfs/dbraw/zinc/72/64/74/486726474.db2.gz OKXUTKLCKIKTIN-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO CNCCC[NH2+]CC(C)(C)C 43618952 486726823 /nfs/dbraw/zinc/72/68/23/486726823.db2.gz QROZYWPUYITKSM-UHFFFAOYSA-N 1 3 158.289 1.232 20 0 ADADHO CNCCC[NH2+]C1CCCCCC1 43606477 486726903 /nfs/dbraw/zinc/72/69/03/486726903.db2.gz IYTSOXAIIAVXLR-UHFFFAOYSA-N 1 3 184.327 1.908 20 0 ADADHO CC(C)CCCN[C@H]1CCC[NH2+]C1 43327413 486727070 /nfs/dbraw/zinc/72/70/70/486727070.db2.gz JPWLUWMQRFCOLN-NSHDSACASA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)CCCN[C@@H]1CCC[NH2+]C1 43327412 486727097 /nfs/dbraw/zinc/72/70/97/486727097.db2.gz JPWLUWMQRFCOLN-LLVKDONJSA-N 1 3 184.327 1.764 20 0 ADADHO C[C@H]([N@H+](C)CCCN)C(C)(C)C 42739334 486727329 /nfs/dbraw/zinc/72/73/29/486727329.db2.gz CJNJSZJDGTWRQT-VIFPVBQESA-N 1 3 172.316 1.702 20 0 ADADHO C[C@H]([N@@H+](C)CCCN)C(C)(C)C 42739334 486727332 /nfs/dbraw/zinc/72/73/32/486727332.db2.gz CJNJSZJDGTWRQT-VIFPVBQESA-N 1 3 172.316 1.702 20 0 ADADHO C[C@H](N(C)CCC[NH3+])C(C)(C)C 42739334 486727335 /nfs/dbraw/zinc/72/73/35/486727335.db2.gz CJNJSZJDGTWRQT-VIFPVBQESA-N 1 3 172.316 1.702 20 0 ADADHO CC[C@@H](C)[C@@H](C)[NH2+]C1CCNCC1 42554406 486727387 /nfs/dbraw/zinc/72/73/87/486727387.db2.gz OKXUTKLCKIKTIN-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO CNCCC[NH2+]C1CCCC1 43606483 486727437 /nfs/dbraw/zinc/72/74/37/486727437.db2.gz KGSFQQLJASBKID-UHFFFAOYSA-N 1 3 156.273 1.128 20 0 ADADHO CC[C@@H](C)[C@H](C)[NH2+]C1CCNCC1 42554412 486727445 /nfs/dbraw/zinc/72/74/45/486727445.db2.gz OKXUTKLCKIKTIN-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+]C1CCNCC1 42554415 486727466 /nfs/dbraw/zinc/72/74/66/486727466.db2.gz OKXUTKLCKIKTIN-UWVGGRQHSA-N 1 3 184.327 1.763 20 0 ADADHO CCC[NH2+]CCNC1CCCCC1 44651721 486729404 /nfs/dbraw/zinc/72/94/04/486729404.db2.gz YBELOQDHMAAYHX-UHFFFAOYSA-N 1 3 184.327 1.908 20 0 ADADHO CC1([NH2+]CCCN)CCCCC1 45047227 486729412 /nfs/dbraw/zinc/72/94/12/486729412.db2.gz MYTVNJRIVRNKFP-UHFFFAOYSA-N 1 3 170.300 1.648 20 0 ADADHO C[NH2+]CCCN(C)CC(C)(C)C 45086616 486729972 /nfs/dbraw/zinc/72/99/72/486729972.db2.gz ZMHGCOLJKIRNDQ-UHFFFAOYSA-N 1 3 172.316 1.574 20 0 ADADHO CNCCC[N@H+](C)CC(C)(C)C 45086616 486729978 /nfs/dbraw/zinc/72/99/78/486729978.db2.gz ZMHGCOLJKIRNDQ-UHFFFAOYSA-N 1 3 172.316 1.574 20 0 ADADHO CNCCC[N@@H+](C)CC(C)(C)C 45086616 486729984 /nfs/dbraw/zinc/72/99/84/486729984.db2.gz ZMHGCOLJKIRNDQ-UHFFFAOYSA-N 1 3 172.316 1.574 20 0 ADADHO C[N@H+](CCCN)CC(C)(C)C 45068558 486730034 /nfs/dbraw/zinc/73/00/34/486730034.db2.gz LGNSQJGNOQVUDM-UHFFFAOYSA-N 1 3 158.289 1.313 20 0 ADADHO C[N@@H+](CCCN)CC(C)(C)C 45068558 486730040 /nfs/dbraw/zinc/73/00/40/486730040.db2.gz LGNSQJGNOQVUDM-UHFFFAOYSA-N 1 3 158.289 1.313 20 0 ADADHO CN(CCC[NH3+])CC(C)(C)C 45068558 486730043 /nfs/dbraw/zinc/73/00/43/486730043.db2.gz LGNSQJGNOQVUDM-UHFFFAOYSA-N 1 3 158.289 1.313 20 0 ADADHO CC(C)C[N@@H+]1CC[C@@H](N)C[C@@H]1C 49709020 486733081 /nfs/dbraw/zinc/73/30/81/486733081.db2.gz YELRQGPVINRMSI-VHSXEESVSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)C[N@H+]1CC[C@@H](N)C[C@@H]1C 49709020 486733084 /nfs/dbraw/zinc/73/30/84/486733084.db2.gz YELRQGPVINRMSI-VHSXEESVSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)CN1CC[C@@H]([NH3+])C[C@@H]1C 49709020 486733087 /nfs/dbraw/zinc/73/30/87/486733087.db2.gz YELRQGPVINRMSI-VHSXEESVSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)C[N@@H+]1CC[C@H](N)C[C@H]1C 49709022 486733097 /nfs/dbraw/zinc/73/30/97/486733097.db2.gz YELRQGPVINRMSI-ZJUUUORDSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)C[N@H+]1CC[C@H](N)C[C@H]1C 49709022 486733100 /nfs/dbraw/zinc/73/31/00/486733100.db2.gz YELRQGPVINRMSI-ZJUUUORDSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)CN1CC[C@H]([NH3+])C[C@H]1C 49709022 486733104 /nfs/dbraw/zinc/73/31/04/486733104.db2.gz YELRQGPVINRMSI-ZJUUUORDSA-N 1 3 170.300 1.454 20 0 ADADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1CCC1 49710572 486733118 /nfs/dbraw/zinc/73/31/18/486733118.db2.gz ZINOPXVXCYNGCP-MWLCHTKSSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1CCC1 49710572 486733122 /nfs/dbraw/zinc/73/31/22/486733122.db2.gz ZINOPXVXCYNGCP-MWLCHTKSSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@@H]1C[C@H]([NH3+])CCN1CC1CCC1 49710572 486733124 /nfs/dbraw/zinc/73/31/24/486733124.db2.gz ZINOPXVXCYNGCP-MWLCHTKSSA-N 1 3 182.311 1.598 20 0 ADADHO CCCC[N@@H+]1CC[C@H](N)C[C@@H]1C 49707359 486733211 /nfs/dbraw/zinc/73/32/11/486733211.db2.gz AKXOAWYTFGSQOM-UWVGGRQHSA-N 1 3 170.300 1.598 20 0 ADADHO CCCC[N@H+]1CC[C@H](N)C[C@@H]1C 49707359 486733216 /nfs/dbraw/zinc/73/32/16/486733216.db2.gz AKXOAWYTFGSQOM-UWVGGRQHSA-N 1 3 170.300 1.598 20 0 ADADHO CCCCN1CC[C@H]([NH3+])C[C@@H]1C 49707359 486733220 /nfs/dbraw/zinc/73/32/20/486733220.db2.gz AKXOAWYTFGSQOM-UWVGGRQHSA-N 1 3 170.300 1.598 20 0 ADADHO CCCCC[N@@H+]1CC[C@@H](N)C[C@@H]1C 49707828 486733251 /nfs/dbraw/zinc/73/32/51/486733251.db2.gz YZGVPLUWPCLUHP-WDEREUQCSA-N 1 3 184.327 1.988 20 0 ADADHO CCCCC[N@H+]1CC[C@@H](N)C[C@@H]1C 49707828 486733254 /nfs/dbraw/zinc/73/32/54/486733254.db2.gz YZGVPLUWPCLUHP-WDEREUQCSA-N 1 3 184.327 1.988 20 0 ADADHO CCCCCN1CC[C@@H]([NH3+])C[C@@H]1C 49707828 486733258 /nfs/dbraw/zinc/73/32/58/486733258.db2.gz YZGVPLUWPCLUHP-WDEREUQCSA-N 1 3 184.327 1.988 20 0 ADADHO CCC[N@@H+]1CC[C@H](N)C[C@@H]1C 49709123 486733287 /nfs/dbraw/zinc/73/32/87/486733287.db2.gz IMRISIRTRUCIJC-IUCAKERBSA-N 1 3 156.273 1.208 20 0 ADADHO CCC[N@H+]1CC[C@H](N)C[C@@H]1C 49709123 486733291 /nfs/dbraw/zinc/73/32/91/486733291.db2.gz IMRISIRTRUCIJC-IUCAKERBSA-N 1 3 156.273 1.208 20 0 ADADHO CCCN1CC[C@H]([NH3+])C[C@@H]1C 49709123 486733295 /nfs/dbraw/zinc/73/32/95/486733295.db2.gz IMRISIRTRUCIJC-IUCAKERBSA-N 1 3 156.273 1.208 20 0 ADADHO CCCC[N@@H+]1CC[C@@H](N)C[C@@H]1C 49707360 486733340 /nfs/dbraw/zinc/73/33/40/486733340.db2.gz AKXOAWYTFGSQOM-VHSXEESVSA-N 1 3 170.300 1.598 20 0 ADADHO CCCC[N@H+]1CC[C@@H](N)C[C@@H]1C 49707360 486733345 /nfs/dbraw/zinc/73/33/45/486733345.db2.gz AKXOAWYTFGSQOM-VHSXEESVSA-N 1 3 170.300 1.598 20 0 ADADHO CCCCN1CC[C@@H]([NH3+])C[C@@H]1C 49707360 486733349 /nfs/dbraw/zinc/73/33/49/486733349.db2.gz AKXOAWYTFGSQOM-VHSXEESVSA-N 1 3 170.300 1.598 20 0 ADADHO CC(C)C[N@@H+]1CC[C@@H](N)C[C@H]1C 49709018 486733363 /nfs/dbraw/zinc/73/33/63/486733363.db2.gz YELRQGPVINRMSI-NXEZZACHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)C[N@H+]1CC[C@@H](N)C[C@H]1C 49709018 486733367 /nfs/dbraw/zinc/73/33/67/486733367.db2.gz YELRQGPVINRMSI-NXEZZACHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)CN1CC[C@@H]([NH3+])C[C@H]1C 49709018 486733369 /nfs/dbraw/zinc/73/33/69/486733369.db2.gz YELRQGPVINRMSI-NXEZZACHSA-N 1 3 170.300 1.454 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1CCC1 49710575 486733398 /nfs/dbraw/zinc/73/33/98/486733398.db2.gz ZINOPXVXCYNGCP-GXSJLCMTSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@H+]1CC1CCC1 49710575 486733402 /nfs/dbraw/zinc/73/34/02/486733402.db2.gz ZINOPXVXCYNGCP-GXSJLCMTSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H]1C[C@H]([NH3+])CCN1CC1CCC1 49710575 486733405 /nfs/dbraw/zinc/73/34/05/486733405.db2.gz ZINOPXVXCYNGCP-GXSJLCMTSA-N 1 3 182.311 1.598 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@H](N)C[C@H]1C 49707385 486733440 /nfs/dbraw/zinc/73/34/40/486733440.db2.gz AIRGZHFEZSOVIM-MNOVXSKESA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)CC[N@H+]1CC[C@H](N)C[C@H]1C 49707385 486733445 /nfs/dbraw/zinc/73/34/45/486733445.db2.gz AIRGZHFEZSOVIM-MNOVXSKESA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)CCN1CC[C@H]([NH3+])C[C@H]1C 49707385 486733447 /nfs/dbraw/zinc/73/34/47/486733447.db2.gz AIRGZHFEZSOVIM-MNOVXSKESA-N 1 3 184.327 1.844 20 0 ADADHO CCCCC[N@@H+]1CC[C@H](N)C[C@@H]1C 49707827 486733518 /nfs/dbraw/zinc/73/35/18/486733518.db2.gz YZGVPLUWPCLUHP-QWRGUYRKSA-N 1 3 184.327 1.988 20 0 ADADHO CCCCC[N@H+]1CC[C@H](N)C[C@@H]1C 49707827 486733522 /nfs/dbraw/zinc/73/35/22/486733522.db2.gz YZGVPLUWPCLUHP-QWRGUYRKSA-N 1 3 184.327 1.988 20 0 ADADHO CCCCCN1CC[C@H]([NH3+])C[C@@H]1C 49707827 486733526 /nfs/dbraw/zinc/73/35/26/486733526.db2.gz YZGVPLUWPCLUHP-QWRGUYRKSA-N 1 3 184.327 1.988 20 0 ADADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1CCC1 49710577 486733559 /nfs/dbraw/zinc/73/35/59/486733559.db2.gz ZINOPXVXCYNGCP-KOLCDFICSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1CCC1 49710577 486733566 /nfs/dbraw/zinc/73/35/66/486733566.db2.gz ZINOPXVXCYNGCP-KOLCDFICSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC1CCC1 49710577 486733571 /nfs/dbraw/zinc/73/35/71/486733571.db2.gz ZINOPXVXCYNGCP-KOLCDFICSA-N 1 3 182.311 1.598 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@H](N)C[C@@H]1C 49707387 486733711 /nfs/dbraw/zinc/73/37/11/486733711.db2.gz AIRGZHFEZSOVIM-QWRGUYRKSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)CC[N@H+]1CC[C@H](N)C[C@@H]1C 49707387 486733718 /nfs/dbraw/zinc/73/37/18/486733718.db2.gz AIRGZHFEZSOVIM-QWRGUYRKSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)CCN1CC[C@H]([NH3+])C[C@@H]1C 49707387 486733722 /nfs/dbraw/zinc/73/37/22/486733722.db2.gz AIRGZHFEZSOVIM-QWRGUYRKSA-N 1 3 184.327 1.844 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1CC1 49694108 486733747 /nfs/dbraw/zinc/73/37/47/486733747.db2.gz QXUYIOUXPSNHLJ-WCBMZHEXSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@H+]1CC1CC1 49694108 486733757 /nfs/dbraw/zinc/73/37/57/486733757.db2.gz QXUYIOUXPSNHLJ-WCBMZHEXSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@H]1C[C@H]([NH3+])CCN1CC1CC1 49694108 486733765 /nfs/dbraw/zinc/73/37/65/486733765.db2.gz QXUYIOUXPSNHLJ-WCBMZHEXSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1CCCC1 49710680 486733826 /nfs/dbraw/zinc/73/38/26/486733826.db2.gz LDNGDKXUIMOHDE-CMPLNLGQSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@H+]1CC1CCCC1 49710680 486733832 /nfs/dbraw/zinc/73/38/32/486733832.db2.gz LDNGDKXUIMOHDE-CMPLNLGQSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1CC1 49694110 486733850 /nfs/dbraw/zinc/73/38/50/486733850.db2.gz QXUYIOUXPSNHLJ-WPRPVWTQSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1CC1 49694110 486733857 /nfs/dbraw/zinc/73/38/57/486733857.db2.gz QXUYIOUXPSNHLJ-WPRPVWTQSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@H]1C[C@@H]([NH3+])CCN1CC1CC1 49694110 486733862 /nfs/dbraw/zinc/73/38/62/486733862.db2.gz QXUYIOUXPSNHLJ-WPRPVWTQSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1CC1 49694107 486733881 /nfs/dbraw/zinc/73/38/81/486733881.db2.gz QXUYIOUXPSNHLJ-PSASIEDQSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1CC1 49694107 486733887 /nfs/dbraw/zinc/73/38/87/486733887.db2.gz QXUYIOUXPSNHLJ-PSASIEDQSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@@H]1C[C@H]([NH3+])CCN1CC1CC1 49694107 486733891 /nfs/dbraw/zinc/73/38/91/486733891.db2.gz QXUYIOUXPSNHLJ-PSASIEDQSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1CC1 49694109 486734016 /nfs/dbraw/zinc/73/40/16/486734016.db2.gz QXUYIOUXPSNHLJ-SCZZXKLOSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1CC1 49694109 486734021 /nfs/dbraw/zinc/73/40/21/486734021.db2.gz QXUYIOUXPSNHLJ-SCZZXKLOSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC1CC1 49694109 486734027 /nfs/dbraw/zinc/73/40/27/486734027.db2.gz QXUYIOUXPSNHLJ-SCZZXKLOSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1CCCC1 49710685 486734113 /nfs/dbraw/zinc/73/41/13/486734113.db2.gz LDNGDKXUIMOHDE-JQWIXIFHSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1CCCC1 49710685 486734120 /nfs/dbraw/zinc/73/41/20/486734120.db2.gz LDNGDKXUIMOHDE-JQWIXIFHSA-N 1 3 196.338 1.988 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@@H](N)C[C@H]1C 49707383 486734150 /nfs/dbraw/zinc/73/41/50/486734150.db2.gz AIRGZHFEZSOVIM-GHMZBOCLSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)CC[N@H+]1CC[C@@H](N)C[C@H]1C 49707383 486734155 /nfs/dbraw/zinc/73/41/55/486734155.db2.gz AIRGZHFEZSOVIM-GHMZBOCLSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)CCN1CC[C@@H]([NH3+])C[C@H]1C 49707383 486734160 /nfs/dbraw/zinc/73/41/60/486734160.db2.gz AIRGZHFEZSOVIM-GHMZBOCLSA-N 1 3 184.327 1.844 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1CCC1 49710579 486734179 /nfs/dbraw/zinc/73/41/79/486734179.db2.gz ZINOPXVXCYNGCP-ONGXEEELSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1CCC1 49710579 486734183 /nfs/dbraw/zinc/73/41/83/486734183.db2.gz ZINOPXVXCYNGCP-ONGXEEELSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H]1C[C@@H]([NH3+])CCN1CC1CCC1 49710579 486734189 /nfs/dbraw/zinc/73/41/89/486734189.db2.gz ZINOPXVXCYNGCP-ONGXEEELSA-N 1 3 182.311 1.598 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@@H](N)C[C@@H]1C 49707384 486734273 /nfs/dbraw/zinc/73/42/73/486734273.db2.gz AIRGZHFEZSOVIM-WDEREUQCSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)CC[N@H+]1CC[C@@H](N)C[C@@H]1C 49707384 486734280 /nfs/dbraw/zinc/73/42/80/486734280.db2.gz AIRGZHFEZSOVIM-WDEREUQCSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)CCN1CC[C@@H]([NH3+])C[C@@H]1C 49707384 486734286 /nfs/dbraw/zinc/73/42/86/486734286.db2.gz AIRGZHFEZSOVIM-WDEREUQCSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)C[N@@H+]1CC[C@H](N)C[C@@H]1C 49709023 486734387 /nfs/dbraw/zinc/73/43/87/486734387.db2.gz YELRQGPVINRMSI-UWVGGRQHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)C[N@H+]1CC[C@H](N)C[C@@H]1C 49709023 486734388 /nfs/dbraw/zinc/73/43/88/486734388.db2.gz YELRQGPVINRMSI-UWVGGRQHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)CN1CC[C@H]([NH3+])C[C@@H]1C 49709023 486734390 /nfs/dbraw/zinc/73/43/90/486734390.db2.gz YELRQGPVINRMSI-UWVGGRQHSA-N 1 3 170.300 1.454 20 0 ADADHO CCC[N@@H+]1CC[C@@H](N)C[C@@H]1C 49709125 486734406 /nfs/dbraw/zinc/73/44/06/486734406.db2.gz IMRISIRTRUCIJC-DTWKUNHWSA-N 1 3 156.273 1.208 20 0 ADADHO CCC[N@H+]1CC[C@@H](N)C[C@@H]1C 49709125 486734408 /nfs/dbraw/zinc/73/44/08/486734408.db2.gz IMRISIRTRUCIJC-DTWKUNHWSA-N 1 3 156.273 1.208 20 0 ADADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1CCCC1 49710682 486734473 /nfs/dbraw/zinc/73/44/73/486734473.db2.gz LDNGDKXUIMOHDE-PWSUYJOCSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1CCCC1 49710682 486734476 /nfs/dbraw/zinc/73/44/76/486734476.db2.gz LDNGDKXUIMOHDE-PWSUYJOCSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1CCCC1 49710678 486734505 /nfs/dbraw/zinc/73/45/05/486734505.db2.gz LDNGDKXUIMOHDE-ZYHUDNBSSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1CCCC1 49710678 486734507 /nfs/dbraw/zinc/73/45/07/486734507.db2.gz LDNGDKXUIMOHDE-ZYHUDNBSSA-N 1 3 196.338 1.988 20 0 ADADHO CCCN1CC[C@@H]([NH3+])C[C@@H]1C 49709125 486734411 /nfs/dbraw/zinc/73/44/11/486734411.db2.gz IMRISIRTRUCIJC-DTWKUNHWSA-N 1 3 156.273 1.208 20 0 ADADHO CN(CCC[NH3+])CCc1cccs1 49811912 486735068 /nfs/dbraw/zinc/73/50/68/486735068.db2.gz DXPVZLDMQBCJJX-UHFFFAOYSA-N 1 3 198.335 1.571 20 0 ADADHO CC(C)OCCCN(C)CCC[NH3+] 49806342 486735567 /nfs/dbraw/zinc/73/55/67/486735567.db2.gz ZSOXGPTZWMOATL-UHFFFAOYSA-N 1 3 188.315 1.082 20 0 ADADHO Cc1ccc(C[NH2+]CC(C)(C)N)s1 50226784 486736131 /nfs/dbraw/zinc/73/61/31/486736131.db2.gz JWLFATVSYMNPOK-UHFFFAOYSA-N 1 3 198.335 1.883 20 0 ADADHO CC[C@H](N)C[NH2+]Cc1ccc(C)s1 50226812 486736736 /nfs/dbraw/zinc/73/67/36/486736736.db2.gz GPYOBCDCJPSZLW-VIFPVBQESA-N 1 3 198.335 1.883 20 0 ADADHO CC[C@@H](N)C[NH2+]Cc1ccc(C)s1 50226813 486736889 /nfs/dbraw/zinc/73/68/89/486736889.db2.gz GPYOBCDCJPSZLW-SECBINFHSA-N 1 3 198.335 1.883 20 0 ADADHO CC[C@H](C)C[N@H+](CC)CCCN 50424147 486738225 /nfs/dbraw/zinc/73/82/25/486738225.db2.gz FJSNUIBRZLZRJX-JTQLQIEISA-N 1 3 172.316 1.703 20 0 ADADHO CC[C@H](C)C[N@@H+](CC)CCCN 50424147 486738231 /nfs/dbraw/zinc/73/82/31/486738231.db2.gz FJSNUIBRZLZRJX-JTQLQIEISA-N 1 3 172.316 1.703 20 0 ADADHO CC[C@@H](C)C[N@H+](CC)CCCN 50424145 486738450 /nfs/dbraw/zinc/73/84/50/486738450.db2.gz FJSNUIBRZLZRJX-SNVBAGLBSA-N 1 3 172.316 1.703 20 0 ADADHO CC[C@@H](C)C[N@@H+](CC)CCCN 50424145 486738455 /nfs/dbraw/zinc/73/84/55/486738455.db2.gz FJSNUIBRZLZRJX-SNVBAGLBSA-N 1 3 172.316 1.703 20 0 ADADHO CCCC[C@@H](C)N[C@H]1CCC[NH2+]C1 50887831 486738908 /nfs/dbraw/zinc/73/89/08/486738908.db2.gz LLDZIJIVKXCWAJ-MNOVXSKESA-N 1 3 184.327 1.907 20 0 ADADHO CCCC[C@@H](C)N[C@@H]1CCC[NH2+]C1 50887829 486738987 /nfs/dbraw/zinc/73/89/87/486738987.db2.gz LLDZIJIVKXCWAJ-GHMZBOCLSA-N 1 3 184.327 1.907 20 0 ADADHO CCCC[C@@H](C)[NH2+]CCCNC 50889998 486739039 /nfs/dbraw/zinc/73/90/39/486739039.db2.gz URIGDMMYGOWNSW-SNVBAGLBSA-N 1 3 172.316 1.764 20 0 ADADHO CCCC[C@H](C)N[C@@H]1CCC[NH2+]C1 50887830 486739069 /nfs/dbraw/zinc/73/90/69/486739069.db2.gz LLDZIJIVKXCWAJ-WDEREUQCSA-N 1 3 184.327 1.907 20 0 ADADHO CCCC[C@H](C)N[C@H]1CCC[NH2+]C1 50887832 486739093 /nfs/dbraw/zinc/73/90/93/486739093.db2.gz LLDZIJIVKXCWAJ-QWRGUYRKSA-N 1 3 184.327 1.907 20 0 ADADHO CCCC[C@H](C)[NH2+]C1CCNCC1 50887734 486739143 /nfs/dbraw/zinc/73/91/43/486739143.db2.gz UNUYHQGZEPIGDB-JTQLQIEISA-N 1 3 184.327 1.907 20 0 ADADHO CCCC[C@@H](C)[NH2+]C1CCNCC1 50887733 486739387 /nfs/dbraw/zinc/73/93/87/486739387.db2.gz UNUYHQGZEPIGDB-SNVBAGLBSA-N 1 3 184.327 1.907 20 0 ADADHO CCCC[C@H](C)[NH2+]CCCNC 50889999 486739417 /nfs/dbraw/zinc/73/94/17/486739417.db2.gz URIGDMMYGOWNSW-JTQLQIEISA-N 1 3 172.316 1.764 20 0 ADADHO CC(C)[C@H](C)N(C)C[C@@H]1CC[NH2+]C1 51889507 486742277 /nfs/dbraw/zinc/74/22/77/486742277.db2.gz HXITZCFLOQHYOR-WDEREUQCSA-N 1 3 184.327 1.572 20 0 ADADHO CCCCN(C[C@@H]1CC[NH2+]C1)C1CC1 51889662 486742319 /nfs/dbraw/zinc/74/23/19/486742319.db2.gz USYTXJHRLBQFSV-LLVKDONJSA-N 1 3 196.338 1.860 20 0 ADADHO CCCN(C[C@H]1CC[NH2+]C1)C1CC1 51889445 486742337 /nfs/dbraw/zinc/74/23/37/486742337.db2.gz GJQQBTISBRIMLD-JTQLQIEISA-N 1 3 182.311 1.470 20 0 ADADHO CC(C)C[C@H]([NH3+])CNC1CCC1 52212341 486742367 /nfs/dbraw/zinc/74/23/67/486742367.db2.gz JSTFDCRNRFVQHB-VIFPVBQESA-N 1 3 170.300 1.502 20 0 ADADHO CCC1CCN(C[C@H]2CC[NH2+]C2)CC1 51889603 486742534 /nfs/dbraw/zinc/74/25/34/486742534.db2.gz PUTBLHONNHMXLU-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO CC[C@@H](C)CN(C)C[C@@H]1CC[NH2+]C1 51889468 486742550 /nfs/dbraw/zinc/74/25/50/486742550.db2.gz RWKOBOBUPWHJHT-GHMZBOCLSA-N 1 3 184.327 1.574 20 0 ADADHO CCCN(CC)C[C@H]1CC[NH2+]C1 51889438 486742583 /nfs/dbraw/zinc/74/25/83/486742583.db2.gz UGWJSIBEIRXJAI-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO CCCCN(CC)C[C@H]1CC[NH2+]C1 51889312 486742999 /nfs/dbraw/zinc/74/29/99/486742999.db2.gz RAKGXWKVFOQQDF-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CN(C[C@H]1CC[NH2+]C1)C1CCCC1 51889434 486742640 /nfs/dbraw/zinc/74/26/40/486742640.db2.gz ZNNQPAHOBFQXBB-JTQLQIEISA-N 1 3 182.311 1.470 20 0 ADADHO CCCN(CC)C[C@@H]1CC[NH2+]C1 51889436 486742702 /nfs/dbraw/zinc/74/27/02/486742702.db2.gz UGWJSIBEIRXJAI-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO CCCN(C[C@@H]1CC[NH2+]C1)C1CC1 51889443 486742756 /nfs/dbraw/zinc/74/27/56/486742756.db2.gz GJQQBTISBRIMLD-SNVBAGLBSA-N 1 3 182.311 1.470 20 0 ADADHO CCCCN(CC)C[C@@H]1CC[NH2+]C1 51889310 486742770 /nfs/dbraw/zinc/74/27/70/486742770.db2.gz RAKGXWKVFOQQDF-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)[C@H](C)C1 51890188 486742856 /nfs/dbraw/zinc/74/28/56/486742856.db2.gz CKSPUKSXQGKTNG-IJLUTSLNSA-N 1 3 196.338 1.716 20 0 ADADHO CN(C[C@@H]1CC[NH2+]C1)C1CCCC1 51889433 486742870 /nfs/dbraw/zinc/74/28/70/486742870.db2.gz ZNNQPAHOBFQXBB-SNVBAGLBSA-N 1 3 182.311 1.470 20 0 ADADHO CC(C)CCN(C)C[C@@H]1CC[NH2+]C1 51889611 486742938 /nfs/dbraw/zinc/74/29/38/486742938.db2.gz FRGFASIKTCIHQQ-LLVKDONJSA-N 1 3 184.327 1.574 20 0 ADADHO CC(C)C[C@@H]([NH3+])CNC1CCC1 52212344 486742972 /nfs/dbraw/zinc/74/29/72/486742972.db2.gz JSTFDCRNRFVQHB-SECBINFHSA-N 1 3 170.300 1.502 20 0 ADADHO CCc1ccccc1CNCCC[NH3+] 52202798 486742981 /nfs/dbraw/zinc/74/29/81/486742981.db2.gz RTSBVZWAWLNOAF-UHFFFAOYSA-N 1 3 192.306 1.687 20 0 ADADHO CC(C)CN(C)C[C@@H]1CC[NH2+]C1 51889450 486743012 /nfs/dbraw/zinc/74/30/12/486743012.db2.gz YESNWVCVEGKTHF-SNVBAGLBSA-N 1 3 170.300 1.184 20 0 ADADHO CC(C)CCN(C)C[C@H]1CC[NH2+]C1 51889613 486743026 /nfs/dbraw/zinc/74/30/26/486743026.db2.gz FRGFASIKTCIHQQ-NSHDSACASA-N 1 3 184.327 1.574 20 0 ADADHO CCCCN(C[C@H]1CC[NH2+]C1)C1CC1 51889664 486743062 /nfs/dbraw/zinc/74/30/62/486743062.db2.gz USYTXJHRLBQFSV-NSHDSACASA-N 1 3 196.338 1.860 20 0 ADADHO CC[C@H](C)N(CC)C[C@@H]1CC[NH2+]C1 51889463 486743105 /nfs/dbraw/zinc/74/31/05/486743105.db2.gz VRXLDAVSZIJAPU-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@H](C)CN(C)C[C@@H]1CC[NH2+]C1 51889470 486743142 /nfs/dbraw/zinc/74/31/42/486743142.db2.gz RWKOBOBUPWHJHT-WDEREUQCSA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@@H](C)N(CC)C[C@@H]1CC[NH2+]C1 51889461 486743164 /nfs/dbraw/zinc/74/31/64/486743164.db2.gz VRXLDAVSZIJAPU-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 51889601 486743180 /nfs/dbraw/zinc/74/31/80/486743180.db2.gz PUTBLHONNHMXLU-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CC(C)CN(C)C[C@H]1CC[NH2+]C1 51889452 486743197 /nfs/dbraw/zinc/74/31/97/486743197.db2.gz YESNWVCVEGKTHF-JTQLQIEISA-N 1 3 170.300 1.184 20 0 ADADHO CC(C)[C@@H](C)N(C)C[C@@H]1CC[NH2+]C1 51889505 486743241 /nfs/dbraw/zinc/74/32/41/486743241.db2.gz HXITZCFLOQHYOR-GHMZBOCLSA-N 1 3 184.327 1.572 20 0 ADADHO CC(C)[NH2+]C[C@H](C)CN1CCCC1 52377337 486745210 /nfs/dbraw/zinc/74/52/10/486745210.db2.gz VBPPNORXYYVUBB-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO CC(C)[NH2+]C[C@@H](C)CN1CCCC1 52377335 486745436 /nfs/dbraw/zinc/74/54/36/486745436.db2.gz VBPPNORXYYVUBB-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CCCN1CC[C@H](C[NH2+]C(C)C)C1 53012563 486747528 /nfs/dbraw/zinc/74/75/28/486747528.db2.gz NOYFFZAVADHDIN-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CCCN1CC[C@@H](C[NH2+]C(C)C)C1 53012564 486747540 /nfs/dbraw/zinc/74/75/40/486747540.db2.gz NOYFFZAVADHDIN-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO C[NH2+]CCN[C@H]1CCCC[C@@H]1C 53387737 486748973 /nfs/dbraw/zinc/74/89/73/486748973.db2.gz IOPOXYMCNULSDX-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@@H]1CCC[C@@H](C)C1 53387783 486748989 /nfs/dbraw/zinc/74/89/89/486748989.db2.gz ULWCPGROIDIDKS-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO CC[NH2+]CCN[C@@H]1CCC[C@H](C)C1 53387910 486749049 /nfs/dbraw/zinc/74/90/49/486749049.db2.gz XKTOKVCPAOLYDM-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@@H]1CCC[C@H](C)C1 53387785 486749069 /nfs/dbraw/zinc/74/90/69/486749069.db2.gz ULWCPGROIDIDKS-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO CC[NH2+]CCN[C@@H]1CCC[C@@H](C)C1 53387914 486749286 /nfs/dbraw/zinc/74/92/86/486749286.db2.gz XKTOKVCPAOLYDM-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@H]1CCC[C@@H](C)C1 53387780 486749318 /nfs/dbraw/zinc/74/93/18/486749318.db2.gz ULWCPGROIDIDKS-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO CC[NH2+]CCN[C@@H]1CCCC[C@H]1C 53387868 486749512 /nfs/dbraw/zinc/74/95/12/486749512.db2.gz AJQKNCSOJWZRQJ-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@@H]1CCCC[C@@H]1C 53387740 486749584 /nfs/dbraw/zinc/74/95/84/486749584.db2.gz IOPOXYMCNULSDX-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@@H]1CCCC[C@H]1C 53387739 486749626 /nfs/dbraw/zinc/74/96/26/486749626.db2.gz IOPOXYMCNULSDX-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@H]1CCCC[C@H]1C 53387735 486749797 /nfs/dbraw/zinc/74/97/97/486749797.db2.gz IOPOXYMCNULSDX-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCNCC1CCCCC1 53387770 486749859 /nfs/dbraw/zinc/74/98/59/486749859.db2.gz SWJMOUGDYBQFBR-UHFFFAOYSA-N 1 3 170.300 1.376 20 0 ADADHO CC[NH2+]CCN[C@H]1CCCC[C@H]1C 53387870 486749893 /nfs/dbraw/zinc/74/98/93/486749893.db2.gz AJQKNCSOJWZRQJ-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCNCC1CCCCC1 53387902 486749928 /nfs/dbraw/zinc/74/99/28/486749928.db2.gz ASXYSZCWTCLMLM-UHFFFAOYSA-N 1 3 184.327 1.766 20 0 ADADHO CC[NH2+][C@H](C)CNC1CCCC1 53493398 486749959 /nfs/dbraw/zinc/74/99/59/486749959.db2.gz ZFFCFRKWXICAPW-SECBINFHSA-N 1 3 170.300 1.517 20 0 ADADHO CC[NH2+]CCN[C@H]1CCC[C@@H](C)C1 53387916 486749974 /nfs/dbraw/zinc/74/99/74/486749974.db2.gz XKTOKVCPAOLYDM-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@H]1CCC[C@H](C)C1 53387912 486750033 /nfs/dbraw/zinc/75/00/33/486750033.db2.gz XKTOKVCPAOLYDM-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@@H]1CCCC[C@@H]1C 53387864 486749813 /nfs/dbraw/zinc/74/98/13/486749813.db2.gz AJQKNCSOJWZRQJ-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCNC1CCC(C)CC1 53387857 486750131 /nfs/dbraw/zinc/75/01/31/486750131.db2.gz PTBHDJKIKNTMGJ-UHFFFAOYSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+][C@H](C)CNC1CCCCC1 53493408 486750159 /nfs/dbraw/zinc/75/01/59/486750159.db2.gz VDWOBCDPSSZJQL-SNVBAGLBSA-N 1 3 184.327 1.907 20 0 ADADHO C[NH2+]CCNC1CCC(C)CC1 53387727 486750188 /nfs/dbraw/zinc/75/01/88/486750188.db2.gz JXVKAGZKCVUKCB-UHFFFAOYSA-N 1 3 170.300 1.374 20 0 ADADHO CC[NH2+]CCNCCC(C)(C)C 53387940 486750201 /nfs/dbraw/zinc/75/02/01/486750201.db2.gz KBEHWUIIKCNERX-UHFFFAOYSA-N 1 3 172.316 1.622 20 0 ADADHO CC[NH2+]CCN[C@H]1CCCC[C@@H]1C 53387866 486750268 /nfs/dbraw/zinc/75/02/68/486750268.db2.gz AJQKNCSOJWZRQJ-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@H]1CCC[C@H](C)C1 53387781 486750286 /nfs/dbraw/zinc/75/02/86/486750286.db2.gz ULWCPGROIDIDKS-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO CCC[C@@H](C)NC[C@@H](C)[NH2+]CC 53493373 486750325 /nfs/dbraw/zinc/75/03/25/486750325.db2.gz CSVQTAPXUOBAES-NXEZZACHSA-N 1 3 172.316 1.763 20 0 ADADHO CCC[C@H](C)NC[C@@H](C)[NH2+]CC 53493375 486750395 /nfs/dbraw/zinc/75/03/95/486750395.db2.gz CSVQTAPXUOBAES-VHSXEESVSA-N 1 3 172.316 1.763 20 0 ADADHO CCN1CCC[C@H](C[NH2+]CC(C)C)C1 53657711 486752081 /nfs/dbraw/zinc/75/20/81/486752081.db2.gz FFXBTUFHOXDRJI-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CCN1CCC[C@@H](C[NH2+]CC(C)C)C1 53657715 486752514 /nfs/dbraw/zinc/75/25/14/486752514.db2.gz FFXBTUFHOXDRJI-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO C[C@H](CN)C[NH2+]CC(C)(C)C 54345852 486755232 /nfs/dbraw/zinc/75/52/32/486755232.db2.gz IFZPBQPARKAFMR-MRVPVSSYSA-N 1 3 158.289 1.217 20 0 ADADHO C[C@@H](CN)C[NH2+]CC(C)(C)C 54345851 486755287 /nfs/dbraw/zinc/75/52/87/486755287.db2.gz IFZPBQPARKAFMR-QMMMGPOBSA-N 1 3 158.289 1.217 20 0 ADADHO C[C@H](C[NH3+])CNCc1cccs1 54345767 486755375 /nfs/dbraw/zinc/75/53/75/486755375.db2.gz IWQWCQKKWUIJCU-MRVPVSSYSA-N 1 3 184.308 1.433 20 0 ADADHO Cc1ccc(CNC[C@@H](C)C[NH3+])s1 54346037 486755405 /nfs/dbraw/zinc/75/54/05/486755405.db2.gz SFTRBPSKPCVTNU-QMMMGPOBSA-N 1 3 198.335 1.741 20 0 ADADHO Cc1ccc(CNC[C@H](C)C[NH3+])s1 54346040 486755823 /nfs/dbraw/zinc/75/58/23/486755823.db2.gz SFTRBPSKPCVTNU-MRVPVSSYSA-N 1 3 198.335 1.741 20 0 ADADHO C[C@@H](C[NH3+])CNCc1cccs1 54345765 486755813 /nfs/dbraw/zinc/75/58/13/486755813.db2.gz IWQWCQKKWUIJCU-QMMMGPOBSA-N 1 3 184.308 1.433 20 0 ADADHO CCCC[C@@H](C)[NH2+]C[C@@H](C)CN 54346056 486756893 /nfs/dbraw/zinc/75/68/93/486756893.db2.gz ACXZEHXVRDKKKC-VHSXEESVSA-N 1 3 172.316 1.750 20 0 ADADHO CCCC[C@H](C)[NH2+]C[C@@H](C)CN 54346059 486756842 /nfs/dbraw/zinc/75/68/42/486756842.db2.gz ACXZEHXVRDKKKC-UWVGGRQHSA-N 1 3 172.316 1.750 20 0 ADADHO CCCC[C@H](C)[NH2+]C[C@H](C)CN 54346066 486756851 /nfs/dbraw/zinc/75/68/51/486756851.db2.gz ACXZEHXVRDKKKC-ZJUUUORDSA-N 1 3 172.316 1.750 20 0 ADADHO CCCC[C@@H](C)[NH2+]C[C@H](C)CN 54346062 486756940 /nfs/dbraw/zinc/75/69/40/486756940.db2.gz ACXZEHXVRDKKKC-NXEZZACHSA-N 1 3 172.316 1.750 20 0 ADADHO CC[C@H](C)CNC[C@H]1CCCC[NH2+]1 54488667 486757402 /nfs/dbraw/zinc/75/74/02/486757402.db2.gz KNKXFCPZHPKHHN-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H](C)CNC[C@@H]1CCCC[NH2+]1 54488661 486757525 /nfs/dbraw/zinc/75/75/25/486757525.db2.gz KNKXFCPZHPKHHN-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H](C)C[NH2+]C1CCNCC1 54469174 486757556 /nfs/dbraw/zinc/75/75/56/486757556.db2.gz XOHXWJMJQYQBBN-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1 54488681 486757602 /nfs/dbraw/zinc/75/76/02/486757602.db2.gz HYJOPEJSRBZAPY-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@H](C)C[NH2+]C1CCNCC1 54469179 486757660 /nfs/dbraw/zinc/75/76/60/486757660.db2.gz XOHXWJMJQYQBBN-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CCC[NH2+]CCNC[C@H](C)CC 54488623 486757706 /nfs/dbraw/zinc/75/77/06/486757706.db2.gz MCOPPKKMGUSDEK-SNVBAGLBSA-N 1 3 172.316 1.622 20 0 ADADHO CC[C@@H](C)CNC[C@H]1CCCC[NH2+]1 54488665 486757920 /nfs/dbraw/zinc/75/79/20/486757920.db2.gz KNKXFCPZHPKHHN-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@H](C)C[NH2+]CCCNC 54475692 486757950 /nfs/dbraw/zinc/75/79/50/486757950.db2.gz YKWMLQCKPNJJPT-VIFPVBQESA-N 1 3 158.289 1.232 20 0 ADADHO CC[NH2+]CCNC[C@@H](C)CC 54488618 486757960 /nfs/dbraw/zinc/75/79/60/486757960.db2.gz YIRAMCFLQFTWOQ-VIFPVBQESA-N 1 3 158.289 1.232 20 0 ADADHO CC[C@@H](C)C[NH2+]C[C@H]1CCCN1 54488684 486758012 /nfs/dbraw/zinc/75/80/12/486758012.db2.gz HYJOPEJSRBZAPY-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@@H](C)C[NH2+]CCCNC 54475689 486758048 /nfs/dbraw/zinc/75/80/48/486758048.db2.gz YKWMLQCKPNJJPT-SECBINFHSA-N 1 3 158.289 1.232 20 0 ADADHO CCC[NH2+]CCNC[C@@H](C)CC 54488621 486758063 /nfs/dbraw/zinc/75/80/63/486758063.db2.gz MCOPPKKMGUSDEK-JTQLQIEISA-N 1 3 172.316 1.622 20 0 ADADHO CC[NH2+]CCNC[C@H](C)CC 54488617 486758085 /nfs/dbraw/zinc/75/80/85/486758085.db2.gz YIRAMCFLQFTWOQ-SECBINFHSA-N 1 3 158.289 1.232 20 0 ADADHO CC[C@H](C)CNC[C@@H]1CCCC[NH2+]1 54488663 486758101 /nfs/dbraw/zinc/75/81/01/486758101.db2.gz KNKXFCPZHPKHHN-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@H](C)C[NH2+]C[C@@H]1CCCN1 54488683 486758113 /nfs/dbraw/zinc/75/81/13/486758113.db2.gz HYJOPEJSRBZAPY-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@H](C)C[NH2+]CCCNC1CC1 54488865 486758276 /nfs/dbraw/zinc/75/82/76/486758276.db2.gz ANUJVIPRWPOGJY-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@H](C)C[NH2+]C[C@H]1CCCN1 54488687 486758409 /nfs/dbraw/zinc/75/84/09/486758409.db2.gz HYJOPEJSRBZAPY-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@H](C)C[NH2+]C[C@H]1CCCNC1 54488695 486758515 /nfs/dbraw/zinc/75/85/15/486758515.db2.gz FYXAJERBJAKIJD-QWRGUYRKSA-N 1 3 184.327 1.622 20 0 ADADHO CC[C@@H](C)C[NH2+]CCCNC1CC1 54488863 486758786 /nfs/dbraw/zinc/75/87/86/486758786.db2.gz ANUJVIPRWPOGJY-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H](C)C[NH2+]C[C@@H](C)CN 54488895 486758877 /nfs/dbraw/zinc/75/88/77/486758877.db2.gz PLCREQGKDSEDRG-BDAKNGLRSA-N 1 3 158.289 1.217 20 0 ADADHO CC[C@@H](C)C[NH2+]C[C@H]1CCCNC1 54488692 486758902 /nfs/dbraw/zinc/75/89/02/486758902.db2.gz FYXAJERBJAKIJD-MNOVXSKESA-N 1 3 184.327 1.622 20 0 ADADHO CC[C@H](C)C[NH2+]C[C@@H](C)CN 54488897 486758936 /nfs/dbraw/zinc/75/89/36/486758936.db2.gz PLCREQGKDSEDRG-IUCAKERBSA-N 1 3 158.289 1.217 20 0 ADADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCNC1 54488688 486759095 /nfs/dbraw/zinc/75/90/95/486759095.db2.gz FYXAJERBJAKIJD-GHMZBOCLSA-N 1 3 184.327 1.622 20 0 ADADHO CC[C@@H](C)C[NH2+]C[C@H](C)CN 54488899 486759122 /nfs/dbraw/zinc/75/91/22/486759122.db2.gz PLCREQGKDSEDRG-RKDXNWHRSA-N 1 3 158.289 1.217 20 0 ADADHO CC[C@H](C)C[NH2+]C[C@H](C)CN 54488901 486759187 /nfs/dbraw/zinc/75/91/87/486759187.db2.gz PLCREQGKDSEDRG-DTWKUNHWSA-N 1 3 158.289 1.217 20 0 ADADHO CC[C@H](C)C[NH2+]C[C@@H]1CCCNC1 54488690 486759193 /nfs/dbraw/zinc/75/91/93/486759193.db2.gz FYXAJERBJAKIJD-WDEREUQCSA-N 1 3 184.327 1.622 20 0 ADADHO C[C@H](C[NH2+]CC1CC1)CN1CCCC1 62071763 486765292 /nfs/dbraw/zinc/76/52/92/486765292.db2.gz USFSRSQZUPCVPF-LLVKDONJSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H](C[NH2+]CC1CC1)CN1CCCC1 62071761 486765324 /nfs/dbraw/zinc/76/53/24/486765324.db2.gz USFSRSQZUPCVPF-NSHDSACASA-N 1 3 196.338 1.718 20 0 ADADHO CC(C)C[NH2+]C[C@]1(C)CCCNC1 62862249 486767232 /nfs/dbraw/zinc/76/72/32/486767232.db2.gz DHPFPMWQQYDMJA-LLVKDONJSA-N 1 3 184.327 1.622 20 0 ADADHO CCC1(C)CCN(CCC[NH3+])CC1 62952207 486767382 /nfs/dbraw/zinc/76/73/82/486767382.db2.gz SZWVMMIUGXVTJL-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO C[C@]1(C[NH2+]CC2CC2)CCCNC1 62862273 486767312 /nfs/dbraw/zinc/76/73/12/486767312.db2.gz HKRCGEJOWCOIFA-NSHDSACASA-N 1 3 182.311 1.376 20 0 ADADHO CCC1(C)CC[NH+](CCCN)CC1 62952207 486767376 /nfs/dbraw/zinc/76/73/76/486767376.db2.gz SZWVMMIUGXVTJL-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO CC(C)C[NH2+]C[C@@]1(C)CCCNC1 62862250 486767823 /nfs/dbraw/zinc/76/78/23/486767823.db2.gz DHPFPMWQQYDMJA-NSHDSACASA-N 1 3 184.327 1.622 20 0 ADADHO C[C@@]1(C[NH2+]CC2CC2)CCCNC1 62862274 486767877 /nfs/dbraw/zinc/76/78/77/486767877.db2.gz HKRCGEJOWCOIFA-LLVKDONJSA-N 1 3 182.311 1.376 20 0 ADADHO CCC(C)(C)[NH2+]CCCN 66141216 486770415 /nfs/dbraw/zinc/77/04/15/486770415.db2.gz NJYQZHLJCQPQSX-UHFFFAOYSA-N 1 3 144.262 1.113 20 0 ADADHO C[C@@H](CC[NH3+])NCc1cccs1 66147888 486770531 /nfs/dbraw/zinc/77/05/31/486770531.db2.gz VQDAYHDYEWCNOO-QMMMGPOBSA-N 1 3 184.308 1.575 20 0 ADADHO C[C@H](CC[NH3+])NCc1cccs1 66147891 486770840 /nfs/dbraw/zinc/77/08/40/486770840.db2.gz VQDAYHDYEWCNOO-MRVPVSSYSA-N 1 3 184.308 1.575 20 0 ADADHO CCC(C)(C)[N@H+](C)CCCN 68994823 486772880 /nfs/dbraw/zinc/77/28/80/486772880.db2.gz IZMUFSMZKQXNCV-UHFFFAOYSA-N 1 3 158.289 1.456 20 0 ADADHO CCC(C)(C)[N@@H+](C)CCCN 68994823 486772883 /nfs/dbraw/zinc/77/28/83/486772883.db2.gz IZMUFSMZKQXNCV-UHFFFAOYSA-N 1 3 158.289 1.456 20 0 ADADHO C[C@H](CC1CC1)N[C@H]1CCC[NH2+]C1 69662243 486773487 /nfs/dbraw/zinc/77/34/87/486773487.db2.gz PGUDMWWYHSTOIE-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](CC1CC1)N[C@@H]1CCC[NH2+]C1 69662238 486773597 /nfs/dbraw/zinc/77/35/97/486773597.db2.gz PGUDMWWYHSTOIE-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](CC1CC1)N[C@@H]1CCC[NH2+]C1 69662234 486773610 /nfs/dbraw/zinc/77/36/10/486773610.db2.gz PGUDMWWYHSTOIE-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](CC1CC1)N[C@H]1CCC[NH2+]C1 69662240 486773783 /nfs/dbraw/zinc/77/37/83/486773783.db2.gz PGUDMWWYHSTOIE-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](CC1CC1)[NH2+]C1CCNCC1 69663544 486774800 /nfs/dbraw/zinc/77/48/00/486774800.db2.gz VFKRGWIHVHUDLE-VIFPVBQESA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](CC1CC1)[NH2+]C1CCNCC1 69663548 486774950 /nfs/dbraw/zinc/77/49/50/486774950.db2.gz VFKRGWIHVHUDLE-SECBINFHSA-N 1 3 182.311 1.517 20 0 ADADHO NCCC[NH+](CC1CC1)CC1CC1 70064048 486781906 /nfs/dbraw/zinc/78/19/06/486781906.db2.gz OOKSXIMEMKFQAT-UHFFFAOYSA-N 1 3 182.311 1.457 20 0 ADADHO CC[C@@H]1CCC[N@H+](CCCN)CC1 70652721 486791461 /nfs/dbraw/zinc/79/14/61/486791461.db2.gz FARVXMMMMOATLX-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO CC[C@@H]1CCC[N@@H+](CCCN)CC1 70652721 486791465 /nfs/dbraw/zinc/79/14/65/486791465.db2.gz FARVXMMMMOATLX-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO CC[C@H]1CCC[N@H+](CCCN)CC1 70652722 486792024 /nfs/dbraw/zinc/79/20/24/486792024.db2.gz FARVXMMMMOATLX-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO CC[C@H]1CCC[N@@H+](CCCN)CC1 70652722 486792027 /nfs/dbraw/zinc/79/20/27/486792027.db2.gz FARVXMMMMOATLX-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO CNC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 70798731 486793225 /nfs/dbraw/zinc/79/32/25/486793225.db2.gz CJBNCLUWNFCHMQ-NSHDSACASA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 70798731 486793228 /nfs/dbraw/zinc/79/32/28/486793228.db2.gz CJBNCLUWNFCHMQ-NSHDSACASA-N 1 3 198.354 1.964 20 0 ADADHO CCC(CC)C[N@@H+]1CC[C@H](CNC)C1 70798639 486793287 /nfs/dbraw/zinc/79/32/87/486793287.db2.gz BOTCKRVBZWPPOS-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CCC(CC)C[N@H+]1CC[C@H](CNC)C1 70798639 486793295 /nfs/dbraw/zinc/79/32/95/486793295.db2.gz BOTCKRVBZWPPOS-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CCC(CC)C[N@@H+]1CC[C@@H](CNC)C1 70798642 486793940 /nfs/dbraw/zinc/79/39/40/486793940.db2.gz BOTCKRVBZWPPOS-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CCC(CC)C[N@H+]1CC[C@@H](CNC)C1 70798642 486793941 /nfs/dbraw/zinc/79/39/41/486793941.db2.gz BOTCKRVBZWPPOS-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@H]1CC[N@H+](CCC(C)(C)C)C1 70798728 486793955 /nfs/dbraw/zinc/79/39/55/486793955.db2.gz CJBNCLUWNFCHMQ-LLVKDONJSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@H]1CC[N@@H+](CCC(C)(C)C)C1 70798728 486793960 /nfs/dbraw/zinc/79/39/60/486793960.db2.gz CJBNCLUWNFCHMQ-LLVKDONJSA-N 1 3 198.354 1.964 20 0 ADADHO CCCCN(CCC[NH3+])CCOC 70844040 486796301 /nfs/dbraw/zinc/79/63/01/486796301.db2.gz JSJOSOZXFKVSGZ-UHFFFAOYSA-N 1 3 188.315 1.084 20 0 ADADHO [NH3+]CCCNCCc1cccs1 74339254 486798850 /nfs/dbraw/zinc/79/88/50/486798850.db2.gz PCFOPWPJUUSTBH-UHFFFAOYSA-N 1 3 184.308 1.229 20 0 ADADHO NCCC[NH2+]CCc1cccs1 74339254 486798853 /nfs/dbraw/zinc/79/88/53/486798853.db2.gz PCFOPWPJUUSTBH-UHFFFAOYSA-N 1 3 184.308 1.229 20 0 ADADHO CC(C)([NH3+])CNCCc1ccccc1 80227103 486803456 /nfs/dbraw/zinc/80/34/56/486803456.db2.gz AZZWZGYNESCVMT-UHFFFAOYSA-N 1 3 192.306 1.556 20 0 ADADHO CN(CC1CCCC1)C[C@H]1CC[NH2+]C1 82492433 486813690 /nfs/dbraw/zinc/81/36/90/486813690.db2.gz YGBPZIHIIZOINL-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO CNCCC[N@@H+]1CCC[C@H](C)CC1 82496679 486813837 /nfs/dbraw/zinc/81/38/37/486813837.db2.gz OPVIALSNSNEECF-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[N@H+]1CCC[C@H](C)CC1 82496679 486813840 /nfs/dbraw/zinc/81/38/40/486813840.db2.gz OPVIALSNSNEECF-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[N@H+](C)CC1CCCC1 82492344 486814022 /nfs/dbraw/zinc/81/40/22/486814022.db2.gz VPDXAKCOKLKPDH-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[N@@H+](C)CC1CCCC1 82492344 486814028 /nfs/dbraw/zinc/81/40/28/486814028.db2.gz VPDXAKCOKLKPDH-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO C[NH2+]CCCN(C)CC1CCCC1 82492344 486814031 /nfs/dbraw/zinc/81/40/31/486814031.db2.gz VPDXAKCOKLKPDH-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CN(CC1CCCC1)C[C@@H]1CC[NH2+]C1 82492431 486814047 /nfs/dbraw/zinc/81/40/47/486814047.db2.gz YGBPZIHIIZOINL-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CNCCC[N@@H+]1CCC[C@@H](C)CC1 82496678 486814210 /nfs/dbraw/zinc/81/42/10/486814210.db2.gz OPVIALSNSNEECF-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[N@H+]1CCC[C@@H](C)CC1 82496678 486814215 /nfs/dbraw/zinc/81/42/15/486814215.db2.gz OPVIALSNSNEECF-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CCC[N@H+]1CCCC[C@H]1CCN 82594563 486820608 /nfs/dbraw/zinc/82/06/08/486820608.db2.gz WKYKGXDRHQJZJE-JTQLQIEISA-N 1 3 170.300 1.600 20 0 ADADHO NCC[C@H]1CCCC[N@@H+]1CC1CC1 82594442 486819546 /nfs/dbraw/zinc/81/95/46/486819546.db2.gz AXSKBMBELYCZSP-LLVKDONJSA-N 1 3 182.311 1.600 20 0 ADADHO NCC[C@H]1CCCC[N@H+]1CC1CC1 82594442 486819548 /nfs/dbraw/zinc/81/95/48/486819548.db2.gz AXSKBMBELYCZSP-LLVKDONJSA-N 1 3 182.311 1.600 20 0 ADADHO CCCC[N@@H+]1CCCC[C@@H]1CCN 82594421 486819655 /nfs/dbraw/zinc/81/96/55/486819655.db2.gz BHHMFCOTXMYFQB-LLVKDONJSA-N 1 3 184.327 1.990 20 0 ADADHO CCCC[N@H+]1CCCC[C@@H]1CCN 82594421 486819659 /nfs/dbraw/zinc/81/96/59/486819659.db2.gz BHHMFCOTXMYFQB-LLVKDONJSA-N 1 3 184.327 1.990 20 0 ADADHO NCC[C@@H]1CCCC[N@@H+]1CC1CC1 82594439 486819737 /nfs/dbraw/zinc/81/97/37/486819737.db2.gz AXSKBMBELYCZSP-NSHDSACASA-N 1 3 182.311 1.600 20 0 ADADHO NCC[C@@H]1CCCC[N@H+]1CC1CC1 82594439 486819741 /nfs/dbraw/zinc/81/97/41/486819741.db2.gz AXSKBMBELYCZSP-NSHDSACASA-N 1 3 182.311 1.600 20 0 ADADHO CCCC[N@@H+]1CCCC[C@H]1CCN 82594423 486819800 /nfs/dbraw/zinc/81/98/00/486819800.db2.gz BHHMFCOTXMYFQB-NSHDSACASA-N 1 3 184.327 1.990 20 0 ADADHO CCCC[N@H+]1CCCC[C@H]1CCN 82594423 486819804 /nfs/dbraw/zinc/81/98/04/486819804.db2.gz BHHMFCOTXMYFQB-NSHDSACASA-N 1 3 184.327 1.990 20 0 ADADHO CCC[N@@H+]1CCCC[C@@H]1CCN 82594561 486820525 /nfs/dbraw/zinc/82/05/25/486820525.db2.gz WKYKGXDRHQJZJE-SNVBAGLBSA-N 1 3 170.300 1.600 20 0 ADADHO CCC[N@H+]1CCCC[C@@H]1CCN 82594561 486820527 /nfs/dbraw/zinc/82/05/27/486820527.db2.gz WKYKGXDRHQJZJE-SNVBAGLBSA-N 1 3 170.300 1.600 20 0 ADADHO CCC[N@@H+]1CCCC[C@H]1CCN 82594563 486820604 /nfs/dbraw/zinc/82/06/04/486820604.db2.gz WKYKGXDRHQJZJE-JTQLQIEISA-N 1 3 170.300 1.600 20 0 ADADHO CCCC[N@@H+]1CCC[C@H]([C@@H](C)N)C1 82645410 486821671 /nfs/dbraw/zinc/82/16/71/486821671.db2.gz WMSSBWBIMSIQSL-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CCCC[N@H+]1CCC[C@H]([C@@H](C)N)C1 82645410 486821676 /nfs/dbraw/zinc/82/16/76/486821676.db2.gz WMSSBWBIMSIQSL-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CCCC[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 82645411 486822432 /nfs/dbraw/zinc/82/24/32/486822432.db2.gz WMSSBWBIMSIQSL-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CCCC[N@H+]1CCC[C@@H]([C@@H](C)N)C1 82645411 486822435 /nfs/dbraw/zinc/82/24/35/486822435.db2.gz WMSSBWBIMSIQSL-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO C[NH2+]CCCN(C)C[C@H]1C[C@@H]1C 82648494 486822891 /nfs/dbraw/zinc/82/28/91/486822891.db2.gz LGPIOZAXFNKICM-VHSXEESVSA-N 1 3 170.300 1.184 20 0 ADADHO C[NH2+]CCCN(C)C[C@@H]1C[C@@H]1C 82648496 486823218 /nfs/dbraw/zinc/82/32/18/486823218.db2.gz LGPIOZAXFNKICM-UWVGGRQHSA-N 1 3 170.300 1.184 20 0 ADADHO C[NH2+]CCCN(C)C[C@H]1C[C@H]1C 82648493 486823754 /nfs/dbraw/zinc/82/37/54/486823754.db2.gz LGPIOZAXFNKICM-NXEZZACHSA-N 1 3 170.300 1.184 20 0 ADADHO C[NH2+]CCCN(C)C[C@@H]1C[C@H]1C 82648495 486823780 /nfs/dbraw/zinc/82/37/80/486823780.db2.gz LGPIOZAXFNKICM-ZJUUUORDSA-N 1 3 170.300 1.184 20 0 ADADHO CC1([NH2+]CCCN)CCCC1 82785876 486826112 /nfs/dbraw/zinc/82/61/12/486826112.db2.gz YIJHEKHOPQCQGI-UHFFFAOYSA-N 1 3 156.273 1.258 20 0 ADADHO C[C@H]1CC([NH2+]CCCN)C[C@H](C)C1 82830194 486826349 /nfs/dbraw/zinc/82/63/49/486826349.db2.gz ABBRAEQLSBAMCO-NXEZZACHSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@@H]1CC([NH2+]CCCN)C[C@@H](C)C1 82830193 486826657 /nfs/dbraw/zinc/82/66/57/486826657.db2.gz ABBRAEQLSBAMCO-UWVGGRQHSA-N 1 3 184.327 1.750 20 0 ADADHO CCC(CC)C[NH2+]CCCNC 83340141 486832930 /nfs/dbraw/zinc/83/29/30/486832930.db2.gz GQJGVBIBDMRJKQ-UHFFFAOYSA-N 1 3 172.316 1.622 20 0 ADADHO CNCCC[NH2+]CCC(C)(C)C 83340140 486833045 /nfs/dbraw/zinc/83/30/45/486833045.db2.gz UBOUNNMEKWPISI-UHFFFAOYSA-N 1 3 172.316 1.622 20 0 ADADHO CCC(CC)(CC)[NH2+]CCCN 83388687 486834414 /nfs/dbraw/zinc/83/44/14/486834414.db2.gz LVYBOCZTNDBRLK-UHFFFAOYSA-N 1 3 172.316 1.894 20 0 ADADHO CNC[C@@H]1CCC[N@H+](CC2CCC2)C1 83839404 486845322 /nfs/dbraw/zinc/84/53/22/486845322.db2.gz KCBAVMVDGRAJIW-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@H](N)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700499 486840294 /nfs/dbraw/zinc/84/02/94/486840294.db2.gz INFOFSRVSWOXFA-AXFHLTTASA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H](N)C[N@H+]1CCC[C@H]2CCC[C@@H]21 83700499 486840298 /nfs/dbraw/zinc/84/02/98/486840298.db2.gz INFOFSRVSWOXFA-AXFHLTTASA-N 1 3 182.311 1.598 20 0 ADADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC=CCC2)C1 83823969 486842269 /nfs/dbraw/zinc/84/22/69/486842269.db2.gz BRVGTMDSRVRAMG-WOPDTQHZSA-N 1 3 194.322 1.955 20 0 ADADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC=CCC2)C1 83823967 486842333 /nfs/dbraw/zinc/84/23/33/486842333.db2.gz BRVGTMDSRVRAMG-GRYCIOLGSA-N 1 3 194.322 1.955 20 0 ADADHO CCC([NH3+])(CC)CNC(C)C 83824029 486842355 /nfs/dbraw/zinc/84/23/55/486842355.db2.gz PUNFKFPUWIDMCL-UHFFFAOYSA-N 1 3 158.289 1.502 20 0 ADADHO NCC[C@H]1CCCC[N@@H+]1CC1CCC1 83839970 486844367 /nfs/dbraw/zinc/84/43/67/486844367.db2.gz QNMDUIGJELDVEV-GFCCVEGCSA-N 1 3 196.338 1.990 20 0 ADADHO NCC[C@H]1CCCC[N@H+]1CC1CCC1 83839970 486844371 /nfs/dbraw/zinc/84/43/71/486844371.db2.gz QNMDUIGJELDVEV-GFCCVEGCSA-N 1 3 196.338 1.990 20 0 ADADHO CC[N@H+](CCCN)CC1CCC1 83838086 486844798 /nfs/dbraw/zinc/84/47/98/486844798.db2.gz YSRMDDMAKKMFEZ-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CC[N@@H+](CCCN)CC1CCC1 83838086 486844803 /nfs/dbraw/zinc/84/48/03/486844803.db2.gz YSRMDDMAKKMFEZ-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO NCC[C@@H]1CCCC[N@@H+]1CC1CCC1 83839969 486844831 /nfs/dbraw/zinc/84/48/31/486844831.db2.gz QNMDUIGJELDVEV-LBPRGKRZSA-N 1 3 196.338 1.990 20 0 ADADHO NCC[C@@H]1CCCC[N@H+]1CC1CCC1 83839969 486844834 /nfs/dbraw/zinc/84/48/34/486844834.db2.gz QNMDUIGJELDVEV-LBPRGKRZSA-N 1 3 196.338 1.990 20 0 ADADHO CC(C)[N@H+](CCCN)CC1CCC1 83838090 486844945 /nfs/dbraw/zinc/84/49/45/486844945.db2.gz CVZXSHSNXFTOHR-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)[N@@H+](CCCN)CC1CCC1 83838090 486844948 /nfs/dbraw/zinc/84/49/48/486844948.db2.gz CVZXSHSNXFTOHR-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO CNC[C@H]1CCC[N@@H+]1CC1CCC1 83839338 486845124 /nfs/dbraw/zinc/84/51/24/486845124.db2.gz UQHHFPSCFHMJQP-LLVKDONJSA-N 1 3 182.311 1.470 20 0 ADADHO CNC[C@H]1CCC[N@H+]1CC1CCC1 83839338 486845128 /nfs/dbraw/zinc/84/51/28/486845128.db2.gz UQHHFPSCFHMJQP-LLVKDONJSA-N 1 3 182.311 1.470 20 0 ADADHO CNC[C@H]1CCC[N@H+](CC2CCC2)C1 83839405 486845167 /nfs/dbraw/zinc/84/51/67/486845167.db2.gz KCBAVMVDGRAJIW-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CNC[C@H]1CCC[N@@H+](CC2CCC2)C1 83839405 486845173 /nfs/dbraw/zinc/84/51/73/486845173.db2.gz KCBAVMVDGRAJIW-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO C[NH2+]C[C@H]1CCCN(CC2CCC2)C1 83839405 486845174 /nfs/dbraw/zinc/84/51/74/486845174.db2.gz KCBAVMVDGRAJIW-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CNC[C@@H]1CCC[N@@H+]1CC1CCC1 83839335 486845288 /nfs/dbraw/zinc/84/52/88/486845288.db2.gz UQHHFPSCFHMJQP-NSHDSACASA-N 1 3 182.311 1.470 20 0 ADADHO CNC[C@@H]1CCC[N@H+]1CC1CCC1 83839335 486845292 /nfs/dbraw/zinc/84/52/92/486845292.db2.gz UQHHFPSCFHMJQP-NSHDSACASA-N 1 3 182.311 1.470 20 0 ADADHO CNC[C@@H]1CCC[N@@H+](CC2CCC2)C1 83839404 486845325 /nfs/dbraw/zinc/84/53/25/486845325.db2.gz KCBAVMVDGRAJIW-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO C[NH2+]C[C@@H]1CCCN(CC2CCC2)C1 83839404 486845331 /nfs/dbraw/zinc/84/53/31/486845331.db2.gz KCBAVMVDGRAJIW-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO C1C[NH2+]C[C@@H](NCCC2CC2)C1 83893391 486846003 /nfs/dbraw/zinc/84/60/03/486846003.db2.gz LZNHQOSBAVNUKR-JTQLQIEISA-N 1 3 168.284 1.128 20 0 ADADHO C1CC([NH2+]CCC2CC2)CCN1 83893299 486846143 /nfs/dbraw/zinc/84/61/43/486846143.db2.gz HZZMIVBJZVUMSX-UHFFFAOYSA-N 1 3 168.284 1.128 20 0 ADADHO C1C[NH2+]C[C@H](NCCC2CC2)C1 83893392 486846677 /nfs/dbraw/zinc/84/66/77/486846677.db2.gz LZNHQOSBAVNUKR-SNVBAGLBSA-N 1 3 168.284 1.128 20 0 ADADHO CCN(C)C[C@H]1CC[N@H+](CC2CC2)C1 675640424 486847330 /nfs/dbraw/zinc/84/73/30/486847330.db2.gz YYHQDOILHQYVJX-GFCCVEGCSA-N 1 3 196.338 1.670 20 0 ADADHO CCN(C)C[C@H]1CC[N@@H+](CC2CC2)C1 675640424 486847334 /nfs/dbraw/zinc/84/73/34/486847334.db2.gz YYHQDOILHQYVJX-GFCCVEGCSA-N 1 3 196.338 1.670 20 0 ADADHO CC[N@H+](C)C[C@H]1CCN(CC2CC2)C1 675640424 486847338 /nfs/dbraw/zinc/84/73/38/486847338.db2.gz YYHQDOILHQYVJX-GFCCVEGCSA-N 1 3 196.338 1.670 20 0 ADADHO CC[N@@H+](C)C[C@H]1CCN(CC2CC2)C1 675640424 486847341 /nfs/dbraw/zinc/84/73/41/486847341.db2.gz YYHQDOILHQYVJX-GFCCVEGCSA-N 1 3 196.338 1.670 20 0 ADADHO CCN(C)C[C@@H]1CC[N@H+](CC2CC2)C1 675640425 486847482 /nfs/dbraw/zinc/84/74/82/486847482.db2.gz YYHQDOILHQYVJX-LBPRGKRZSA-N 1 3 196.338 1.670 20 0 ADADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CC2)C1 675640425 486847488 /nfs/dbraw/zinc/84/74/88/486847488.db2.gz YYHQDOILHQYVJX-LBPRGKRZSA-N 1 3 196.338 1.670 20 0 ADADHO CC[N@H+](C)C[C@@H]1CCN(CC2CC2)C1 675640425 486847496 /nfs/dbraw/zinc/84/74/96/486847496.db2.gz YYHQDOILHQYVJX-LBPRGKRZSA-N 1 3 196.338 1.670 20 0 ADADHO CC[N@@H+](C)C[C@@H]1CCN(CC2CC2)C1 675640425 486847500 /nfs/dbraw/zinc/84/75/00/486847500.db2.gz YYHQDOILHQYVJX-LBPRGKRZSA-N 1 3 196.338 1.670 20 0 ADADHO C[N@H+](CCCN)CCC1CC1 83926176 486848414 /nfs/dbraw/zinc/84/84/14/486848414.db2.gz WFTRDGNEUHDHPH-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO C[N@@H+](CCCN)CCC1CC1 83926176 486848417 /nfs/dbraw/zinc/84/84/17/486848417.db2.gz WFTRDGNEUHDHPH-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO CN(CCC[NH3+])CCC1CC1 83926176 486848422 /nfs/dbraw/zinc/84/84/22/486848422.db2.gz WFTRDGNEUHDHPH-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO CC[N@H+](CCCN)CCC1CC1 83926177 486848597 /nfs/dbraw/zinc/84/85/97/486848597.db2.gz BWMQTCFLSNQFLJ-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CC[N@@H+](CCCN)CCC1CC1 83926177 486848600 /nfs/dbraw/zinc/84/86/00/486848600.db2.gz BWMQTCFLSNQFLJ-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CCN(CCC[NH3+])CCC1CC1 83926177 486848606 /nfs/dbraw/zinc/84/86/06/486848606.db2.gz BWMQTCFLSNQFLJ-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CCCCCN1CC[C@@]2(CC[NH2+]C2)C1 83983411 486850928 /nfs/dbraw/zinc/85/09/28/486850928.db2.gz FUYYPGVBPWBEMP-GFCCVEGCSA-N 1 3 196.338 1.862 20 0 ADADHO CCCCCN1CC[C@]2(CC[NH2+]C2)C1 83983410 486851578 /nfs/dbraw/zinc/85/15/78/486851578.db2.gz FUYYPGVBPWBEMP-LBPRGKRZSA-N 1 3 196.338 1.862 20 0 ADADHO CNCCC[N@@H+]1CCC[C@H]1C(C)C 84125612 486854163 /nfs/dbraw/zinc/85/41/63/486854163.db2.gz WIZMBXWMWCFUMS-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@H+]1CCC[C@H]1C(C)C 84125612 486854166 /nfs/dbraw/zinc/85/41/66/486854166.db2.gz WIZMBXWMWCFUMS-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@@H+]1CCC[C@@H]1C(C)C 84125614 486854340 /nfs/dbraw/zinc/85/43/40/486854340.db2.gz WIZMBXWMWCFUMS-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@H+]1CCC[C@@H]1C(C)C 84125614 486854343 /nfs/dbraw/zinc/85/43/43/486854343.db2.gz WIZMBXWMWCFUMS-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CCC[NH2+][C@H]1CCCC[C@@H]1CN 84215331 486854802 /nfs/dbraw/zinc/85/48/02/486854802.db2.gz YWBIZGJAWYTCGL-ZJUUUORDSA-N 1 3 170.300 1.504 20 0 ADADHO CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN 84215398 486854842 /nfs/dbraw/zinc/85/48/42/486854842.db2.gz VYTJYMYTPYORND-HBNTYKKESA-N 1 3 184.327 1.892 20 0 ADADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC1 84215437 486854852 /nfs/dbraw/zinc/85/48/52/486854852.db2.gz CXTIJBYCWLLVPX-QWRGUYRKSA-N 1 3 182.311 1.504 20 0 ADADHO CCCC[NH2+][C@@H]1CCCC[C@@H]1CN 84215490 486854896 /nfs/dbraw/zinc/85/48/96/486854896.db2.gz ARAOEVZMPCXBOI-GHMZBOCLSA-N 1 3 184.327 1.894 20 0 ADADHO CC(C)C[NH2+][C@H]1CCCC[C@@H]1CN 84215408 486854961 /nfs/dbraw/zinc/85/49/61/486854961.db2.gz IYZKPKCDUHOMHW-MNOVXSKESA-N 1 3 184.327 1.750 20 0 ADADHO CC(C)C[NH2+][C@H]1CCCC[C@H]1CN 84215413 486855032 /nfs/dbraw/zinc/85/50/32/486855032.db2.gz IYZKPKCDUHOMHW-QWRGUYRKSA-N 1 3 184.327 1.750 20 0 ADADHO CCC[NH2+][C@H]1CCCC[C@H]1CN 84215334 486855070 /nfs/dbraw/zinc/85/50/70/486855070.db2.gz YWBIZGJAWYTCGL-UWVGGRQHSA-N 1 3 170.300 1.504 20 0 ADADHO CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN 84215403 486855143 /nfs/dbraw/zinc/85/51/43/486855143.db2.gz VYTJYMYTPYORND-AXFHLTTASA-N 1 3 184.327 1.892 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCCC[C@@H]1CN 84215406 486855190 /nfs/dbraw/zinc/85/51/90/486855190.db2.gz IYZKPKCDUHOMHW-GHMZBOCLSA-N 1 3 184.327 1.750 20 0 ADADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CC1 84215440 486855243 /nfs/dbraw/zinc/85/52/43/486855243.db2.gz CXTIJBYCWLLVPX-MNOVXSKESA-N 1 3 182.311 1.504 20 0 ADADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 84215438 486855253 /nfs/dbraw/zinc/85/52/53/486855253.db2.gz CXTIJBYCWLLVPX-WDEREUQCSA-N 1 3 182.311 1.504 20 0 ADADHO CCC[NH2+][C@@H]1CCCC[C@H]1CN 84215333 486855364 /nfs/dbraw/zinc/85/53/64/486855364.db2.gz YWBIZGJAWYTCGL-VHSXEESVSA-N 1 3 170.300 1.504 20 0 ADADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CC1 84215441 486855415 /nfs/dbraw/zinc/85/54/15/486855415.db2.gz CXTIJBYCWLLVPX-GHMZBOCLSA-N 1 3 182.311 1.504 20 0 ADADHO CCC[NH2+][C@@H]1CCCC[C@@H]1CN 84215330 486855482 /nfs/dbraw/zinc/85/54/82/486855482.db2.gz YWBIZGJAWYTCGL-NXEZZACHSA-N 1 3 170.300 1.504 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCCC[C@H]1CN 84215411 486855493 /nfs/dbraw/zinc/85/54/93/486855493.db2.gz IYZKPKCDUHOMHW-WDEREUQCSA-N 1 3 184.327 1.750 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CCC1 84218644 486855700 /nfs/dbraw/zinc/85/57/00/486855700.db2.gz FPGMVTBYXWGKKG-QWRGUYRKSA-N 1 3 182.311 1.504 20 0 ADADHO CCC[NH2+][C@H]1CCC[C@@H]1CN 84217213 486855731 /nfs/dbraw/zinc/85/57/31/486855731.db2.gz ZDSWSHZHEUXRAU-BDAKNGLRSA-N 1 3 156.273 1.113 20 0 ADADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1CC1 84217370 486855750 /nfs/dbraw/zinc/85/57/50/486855750.db2.gz UENGUFMABWOGJT-ZJUUUORDSA-N 1 3 168.284 1.113 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CC1 84215989 486855762 /nfs/dbraw/zinc/85/57/62/486855762.db2.gz WDHVUFQSVGWQJR-YUSALJHKSA-N 1 3 196.338 1.892 20 0 ADADHO NC[C@H]1CCC[C@H]1[NH2+]CC1CC1 84217367 486855787 /nfs/dbraw/zinc/85/57/87/486855787.db2.gz UENGUFMABWOGJT-NXEZZACHSA-N 1 3 168.284 1.113 20 0 ADADHO CCCCC[NH2+][C@H]1CCC[C@@H]1CN 84217427 486855797 /nfs/dbraw/zinc/85/57/97/486855797.db2.gz IQNKKXMFRBKHRQ-MNOVXSKESA-N 1 3 184.327 1.894 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CC1 84215987 486855807 /nfs/dbraw/zinc/85/58/07/486855807.db2.gz WDHVUFQSVGWQJR-MVWJERBFSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)C[NH2+][C@H]1CCC[C@@H]1CN 84217340 486855817 /nfs/dbraw/zinc/85/58/17/486855817.db2.gz RYIFSMGGKPEPMX-ZJUUUORDSA-N 1 3 170.300 1.359 20 0 ADADHO CCCC[NH2+][C@@H]1CCCC[C@H]1CN 84215494 486855827 /nfs/dbraw/zinc/85/58/27/486855827.db2.gz ARAOEVZMPCXBOI-WDEREUQCSA-N 1 3 184.327 1.894 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN 84216604 486855842 /nfs/dbraw/zinc/85/58/42/486855842.db2.gz UMVODYGDPHYRDB-VWYCJHECSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CC1 84218841 486855884 /nfs/dbraw/zinc/85/58/84/486855884.db2.gz QXHFRUSESIQXJE-GDPRMGEGSA-N 1 3 182.311 1.502 20 0 ADADHO NC[C@H]1CCC[C@H]1[NH2+]CC1CCC1 84218637 486855894 /nfs/dbraw/zinc/85/58/94/486855894.db2.gz FPGMVTBYXWGKKG-GHMZBOCLSA-N 1 3 182.311 1.504 20 0 ADADHO CCC[NH2+][C@@H]1CCC[C@H]1CN 84217214 486855910 /nfs/dbraw/zinc/85/59/10/486855910.db2.gz ZDSWSHZHEUXRAU-DTWKUNHWSA-N 1 3 156.273 1.113 20 0 ADADHO CCCC[NH2+][C@H]1CCC[C@H]1CN 84217512 486855932 /nfs/dbraw/zinc/85/59/32/486855932.db2.gz WBXAROVMSBPNCF-UWVGGRQHSA-N 1 3 170.300 1.504 20 0 ADADHO CCC[NH2+][C@@H]1CCC[C@@H]1CN 84217211 486855967 /nfs/dbraw/zinc/85/59/67/486855967.db2.gz ZDSWSHZHEUXRAU-RKDXNWHRSA-N 1 3 156.273 1.113 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CC1 84215993 486855987 /nfs/dbraw/zinc/85/59/87/486855987.db2.gz WDHVUFQSVGWQJR-JLLWLGSASA-N 1 3 196.338 1.892 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CC1 84218839 486855993 /nfs/dbraw/zinc/85/59/93/486855993.db2.gz QXHFRUSESIQXJE-FBIMIBRVSA-N 1 3 182.311 1.502 20 0 ADADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 84215899 486856004 /nfs/dbraw/zinc/85/60/04/486856004.db2.gz QCAUPSNZJGTTRO-NWDGAFQWSA-N 1 3 196.338 1.894 20 0 ADADHO CCCCC[NH2+][C@@H]1CCC[C@@H]1CN 84217425 486856041 /nfs/dbraw/zinc/85/60/41/486856041.db2.gz IQNKKXMFRBKHRQ-GHMZBOCLSA-N 1 3 184.327 1.894 20 0 ADADHO CCCC[NH2+][C@@H]1CCC[C@@H]1CN 84217506 486856085 /nfs/dbraw/zinc/85/60/85/486856085.db2.gz WBXAROVMSBPNCF-NXEZZACHSA-N 1 3 170.300 1.504 20 0 ADADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1CCC1 84218640 486856101 /nfs/dbraw/zinc/85/61/01/486856101.db2.gz FPGMVTBYXWGKKG-MNOVXSKESA-N 1 3 182.311 1.504 20 0 ADADHO CCCC[NH2+][C@H]1CCC[C@@H]1CN 84217508 486856140 /nfs/dbraw/zinc/85/61/40/486856140.db2.gz WBXAROVMSBPNCF-ZJUUUORDSA-N 1 3 170.300 1.504 20 0 ADADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1CCCC1 84218707 486856187 /nfs/dbraw/zinc/85/61/87/486856187.db2.gz PLVISLRCAYZZTL-NEPJUHHUSA-N 1 3 196.338 1.894 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CC1 84218834 486856210 /nfs/dbraw/zinc/85/62/10/486856210.db2.gz QXHFRUSESIQXJE-JMJZKYOTSA-N 1 3 182.311 1.502 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CC1 84218845 486856217 /nfs/dbraw/zinc/85/62/17/486856217.db2.gz QXHFRUSESIQXJE-IEBDPFPHSA-N 1 3 182.311 1.502 20 0 ADADHO CC(C)CC[NH2+][C@@H]1CCC[C@@H]1CN 84217565 486856240 /nfs/dbraw/zinc/85/62/40/486856240.db2.gz MJJMFAVRUTULCC-GHMZBOCLSA-N 1 3 184.327 1.750 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCC[C@@H]1CN 84217338 486856267 /nfs/dbraw/zinc/85/62/67/486856267.db2.gz RYIFSMGGKPEPMX-NXEZZACHSA-N 1 3 170.300 1.359 20 0 ADADHO CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN 84220363 486856278 /nfs/dbraw/zinc/85/62/78/486856278.db2.gz LULUJUJVFFFZAM-NXEZZACHSA-N 1 3 184.327 1.750 20 0 ADADHO CC(C)CC[NH2+][C@@H]1CCC[C@H]1CN 84217571 486856302 /nfs/dbraw/zinc/85/63/02/486856302.db2.gz MJJMFAVRUTULCC-WDEREUQCSA-N 1 3 184.327 1.750 20 0 ADADHO NC[C@H]1CCC[C@H]1[NH2+]CC1CCCC1 84218687 486856326 /nfs/dbraw/zinc/85/63/26/486856326.db2.gz PLVISLRCAYZZTL-VXGBXAGGSA-N 1 3 196.338 1.894 20 0 ADADHO CCCC[NH2+][C@@H]1CCC[C@H]1CN 84217510 486856336 /nfs/dbraw/zinc/85/63/36/486856336.db2.gz WBXAROVMSBPNCF-VHSXEESVSA-N 1 3 170.300 1.504 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1CC1 84217368 486856347 /nfs/dbraw/zinc/85/63/47/486856347.db2.gz UENGUFMABWOGJT-VHSXEESVSA-N 1 3 168.284 1.113 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1CCCC1 84218710 486856390 /nfs/dbraw/zinc/85/63/90/486856390.db2.gz PLVISLRCAYZZTL-NWDGAFQWSA-N 1 3 196.338 1.894 20 0 ADADHO CCCC[NH2+][C@H]1CCCC[C@@H]1CN 84215492 486856404 /nfs/dbraw/zinc/85/64/04/486856404.db2.gz ARAOEVZMPCXBOI-MNOVXSKESA-N 1 3 184.327 1.894 20 0 ADADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1CC1 84217151 486856455 /nfs/dbraw/zinc/85/64/55/486856455.db2.gz KFXZSVFEJNCHCK-NEPJUHHUSA-N 1 3 196.338 1.894 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN 84216600 486856494 /nfs/dbraw/zinc/85/64/94/486856494.db2.gz UMVODYGDPHYRDB-MXWKQRLJSA-N 1 3 196.338 1.892 20 0 ADADHO CCCCC[NH2+][C@@H]1CCC[C@H]1CN 84217429 486856506 /nfs/dbraw/zinc/85/65/06/486856506.db2.gz IQNKKXMFRBKHRQ-WDEREUQCSA-N 1 3 184.327 1.894 20 0 ADADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CC1 84215991 486856523 /nfs/dbraw/zinc/85/65/23/486856523.db2.gz WDHVUFQSVGWQJR-WCQGTBRESA-N 1 3 196.338 1.892 20 0 ADADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC1 84215897 486856530 /nfs/dbraw/zinc/85/65/30/486856530.db2.gz QCAUPSNZJGTTRO-RYUDHWBXSA-N 1 3 196.338 1.894 20 0 ADADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1CC1 84217148 486856537 /nfs/dbraw/zinc/85/65/37/486856537.db2.gz KFXZSVFEJNCHCK-RYUDHWBXSA-N 1 3 196.338 1.894 20 0 ADADHO CCCCC[NH2+][C@H]1CCC[C@H]1CN 84217430 486856544 /nfs/dbraw/zinc/85/65/44/486856544.db2.gz IQNKKXMFRBKHRQ-QWRGUYRKSA-N 1 3 184.327 1.894 20 0 ADADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CCC1 84215903 486856550 /nfs/dbraw/zinc/85/65/50/486856550.db2.gz QCAUPSNZJGTTRO-VXGBXAGGSA-N 1 3 196.338 1.894 20 0 ADADHO CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN 84220367 486856565 /nfs/dbraw/zinc/85/65/65/486856565.db2.gz LULUJUJVFFFZAM-ZJUUUORDSA-N 1 3 184.327 1.750 20 0 ADADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 84217149 486856573 /nfs/dbraw/zinc/85/65/73/486856573.db2.gz KFXZSVFEJNCHCK-NWDGAFQWSA-N 1 3 196.338 1.894 20 0 ADADHO CC(C)C[NH2+][C@H]1CCC[C@H]1CN 84217345 486856580 /nfs/dbraw/zinc/85/65/80/486856580.db2.gz RYIFSMGGKPEPMX-UWVGGRQHSA-N 1 3 170.300 1.359 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1CCC1 84218643 486856593 /nfs/dbraw/zinc/85/65/93/486856593.db2.gz FPGMVTBYXWGKKG-WDEREUQCSA-N 1 3 182.311 1.504 20 0 ADADHO CCCC[NH2+][C@H]1CCCC[C@H]1CN 84215496 486856600 /nfs/dbraw/zinc/85/66/00/486856600.db2.gz ARAOEVZMPCXBOI-QWRGUYRKSA-N 1 3 184.327 1.894 20 0 ADADHO CCC[NH2+][C@H]1CCC[C@H]1CN 84217216 486856614 /nfs/dbraw/zinc/85/66/14/486856614.db2.gz ZDSWSHZHEUXRAU-IUCAKERBSA-N 1 3 156.273 1.113 20 0 ADADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CCC1 84215901 486856644 /nfs/dbraw/zinc/85/66/44/486856644.db2.gz QCAUPSNZJGTTRO-NEPJUHHUSA-N 1 3 196.338 1.894 20 0 ADADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1CC1 84217154 486856651 /nfs/dbraw/zinc/85/66/51/486856651.db2.gz KFXZSVFEJNCHCK-VXGBXAGGSA-N 1 3 196.338 1.894 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCC[C@H]1CN 84217342 486856658 /nfs/dbraw/zinc/85/66/58/486856658.db2.gz RYIFSMGGKPEPMX-VHSXEESVSA-N 1 3 170.300 1.359 20 0 ADADHO CC(C)CC[NH2+][C@H]1CCC[C@H]1CN 84217574 486856666 /nfs/dbraw/zinc/85/66/66/486856666.db2.gz MJJMFAVRUTULCC-QWRGUYRKSA-N 1 3 184.327 1.750 20 0 ADADHO CC(C)CC[NH2+][C@H]1CCC[C@@H]1CN 84217568 486856674 /nfs/dbraw/zinc/85/66/74/486856674.db2.gz MJJMFAVRUTULCC-MNOVXSKESA-N 1 3 184.327 1.750 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CCCC1 84218713 486856682 /nfs/dbraw/zinc/85/66/82/486856682.db2.gz PLVISLRCAYZZTL-RYUDHWBXSA-N 1 3 196.338 1.894 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CC1 84217372 486856691 /nfs/dbraw/zinc/85/66/91/486856691.db2.gz UENGUFMABWOGJT-UWVGGRQHSA-N 1 3 168.284 1.113 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN 84221208 486856956 /nfs/dbraw/zinc/85/69/56/486856956.db2.gz MAMKRWVKUQMUHV-UTLUCORTSA-N 1 3 182.311 1.502 20 0 ADADHO CC(C)(C)C[NH2+][C@H]1CCC[C@H]1CN 84220374 486856967 /nfs/dbraw/zinc/85/69/67/486856967.db2.gz LULUJUJVFFFZAM-UWVGGRQHSA-N 1 3 184.327 1.750 20 0 ADADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC1CC1 84223060 486857098 /nfs/dbraw/zinc/85/70/98/486857098.db2.gz WTHRLUUKOIZWRU-MNOVXSKESA-N 1 3 182.311 1.504 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC1 84223063 486857163 /nfs/dbraw/zinc/85/71/63/486857163.db2.gz WTHRLUUKOIZWRU-QWRGUYRKSA-N 1 3 182.311 1.504 20 0 ADADHO CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN 84220371 486857190 /nfs/dbraw/zinc/85/71/90/486857190.db2.gz LULUJUJVFFFZAM-VHSXEESVSA-N 1 3 184.327 1.750 20 0 ADADHO CC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CN 84221599 486857252 /nfs/dbraw/zinc/85/72/52/486857252.db2.gz LXBHOXDTOWIRNZ-AXFHLTTASA-N 1 3 184.327 1.750 20 0 ADADHO NC[C@H]1CCC[C@H]1[NH2+]CCC1CC1 84223050 486857290 /nfs/dbraw/zinc/85/72/90/486857290.db2.gz WTHRLUUKOIZWRU-GHMZBOCLSA-N 1 3 182.311 1.504 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC1CC1 84223056 486857437 /nfs/dbraw/zinc/85/74/37/486857437.db2.gz WTHRLUUKOIZWRU-WDEREUQCSA-N 1 3 182.311 1.504 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CN 84221202 486857444 /nfs/dbraw/zinc/85/74/44/486857444.db2.gz MAMKRWVKUQMUHV-BBBLOLIVSA-N 1 3 182.311 1.502 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC=CCC1 84223121 486857654 /nfs/dbraw/zinc/85/76/54/486857654.db2.gz SHXYGLBCWKQRMO-SRVKXCTJSA-N 1 3 194.322 1.812 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC=CCC1 84223109 486857688 /nfs/dbraw/zinc/85/76/88/486857688.db2.gz SHXYGLBCWKQRMO-SDDRHHMPSA-N 1 3 194.322 1.812 20 0 ADADHO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CN 84221592 486857704 /nfs/dbraw/zinc/85/77/04/486857704.db2.gz LXBHOXDTOWIRNZ-HBNTYKKESA-N 1 3 184.327 1.750 20 0 ADADHO CCN(CC)CC[C@@H]1CCC[N@@H+]1C 676223352 486857895 /nfs/dbraw/zinc/85/78/95/486857895.db2.gz IYNKTVBNEUEMEV-NSHDSACASA-N 1 3 184.327 1.813 20 0 ADADHO CCN(CC)CC[C@@H]1CCC[N@H+]1C 676223352 486857900 /nfs/dbraw/zinc/85/79/00/486857900.db2.gz IYNKTVBNEUEMEV-NSHDSACASA-N 1 3 184.327 1.813 20 0 ADADHO CCN(CC[C@@H]1CCC[N@@H+]1C)C1CC1 676223417 486857986 /nfs/dbraw/zinc/85/79/86/486857986.db2.gz OBWBFQHZFRBVRM-NSHDSACASA-N 1 3 196.338 1.955 20 0 ADADHO CCN(CC[C@@H]1CCC[N@H+]1C)C1CC1 676223417 486857992 /nfs/dbraw/zinc/85/79/92/486857992.db2.gz OBWBFQHZFRBVRM-NSHDSACASA-N 1 3 196.338 1.955 20 0 ADADHO CCN(CC)CC[C@H]1CCC[N@@H+]1C 676223351 486858079 /nfs/dbraw/zinc/85/80/79/486858079.db2.gz IYNKTVBNEUEMEV-LLVKDONJSA-N 1 3 184.327 1.813 20 0 ADADHO CCN(CC)CC[C@H]1CCC[N@H+]1C 676223351 486858085 /nfs/dbraw/zinc/85/80/85/486858085.db2.gz IYNKTVBNEUEMEV-LLVKDONJSA-N 1 3 184.327 1.813 20 0 ADADHO CCN(CC[C@H]1CCC[N@@H+]1C)C1CC1 676223416 486858772 /nfs/dbraw/zinc/85/87/72/486858772.db2.gz OBWBFQHZFRBVRM-LLVKDONJSA-N 1 3 196.338 1.955 20 0 ADADHO CCN(CC[C@H]1CCC[N@H+]1C)C1CC1 676223416 486858777 /nfs/dbraw/zinc/85/87/77/486858777.db2.gz OBWBFQHZFRBVRM-LLVKDONJSA-N 1 3 196.338 1.955 20 0 ADADHO Cc1ccc(C[NH2+]CC(C)(C)N)cc1 84453544 486862108 /nfs/dbraw/zinc/86/21/08/486862108.db2.gz XWFPPZSJJMNKSW-UHFFFAOYSA-N 1 3 192.306 1.822 20 0 ADADHO CC[C@@H](C)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 85282022 486867586 /nfs/dbraw/zinc/86/75/86/486867586.db2.gz WNSMBAWUZBSKIA-MXWKQRLJSA-N 1 3 182.311 1.184 20 0 ADADHO CC[C@H](C)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 85282023 486868364 /nfs/dbraw/zinc/86/83/64/486868364.db2.gz WNSMBAWUZBSKIA-GARJFASQSA-N 1 3 182.311 1.184 20 0 ADADHO C[C@@H]1C[NH+](C[C@@H]2CCCNC2)C[C@H]1C 86010064 486871196 /nfs/dbraw/zinc/87/11/96/486871196.db2.gz LZSXEXRRSUYFCV-IJLUTSLNSA-N 1 3 196.338 1.574 20 0 ADADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)C[C@@H]1C 86010060 486871696 /nfs/dbraw/zinc/87/16/96/486871696.db2.gz LZSXEXRRSUYFCV-GRYCIOLGSA-N 1 3 196.338 1.574 20 0 ADADHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)C[C@@H]1C 86010060 486871701 /nfs/dbraw/zinc/87/17/01/486871701.db2.gz LZSXEXRRSUYFCV-GRYCIOLGSA-N 1 3 196.338 1.574 20 0 ADADHO CCC[NH2+][C@@H]1CCC[C@@H](N)C1 86401512 486877498 /nfs/dbraw/zinc/87/74/98/486877498.db2.gz DNLGRSYYGVCONU-RKDXNWHRSA-N 1 3 156.273 1.256 20 0 ADADHO CCC[NH2+][C@@H]1CCC[C@H](N)C1 86401509 486877616 /nfs/dbraw/zinc/87/76/16/486877616.db2.gz DNLGRSYYGVCONU-DTWKUNHWSA-N 1 3 156.273 1.256 20 0 ADADHO CCC[NH2+][C@H]1CCC[C@@H](N)C1 86401514 486877647 /nfs/dbraw/zinc/87/76/47/486877647.db2.gz DNLGRSYYGVCONU-BDAKNGLRSA-N 1 3 156.273 1.256 20 0 ADADHO CC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 86401619 486877714 /nfs/dbraw/zinc/87/77/14/486877714.db2.gz PMHLRPDSXUHYSL-LPEHRKFASA-N 1 3 170.300 1.644 20 0 ADADHO CC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 86401622 486877822 /nfs/dbraw/zinc/87/78/22/486877822.db2.gz PMHLRPDSXUHYSL-GUBZILKMSA-N 1 3 170.300 1.644 20 0 ADADHO CCC[NH2+][C@H]1CCC[C@H](N)C1 86401510 486877936 /nfs/dbraw/zinc/87/79/36/486877936.db2.gz DNLGRSYYGVCONU-IUCAKERBSA-N 1 3 156.273 1.256 20 0 ADADHO CC(C)CC[NH2+][C@@H]1CCC[C@H](N)C1 86401835 486879098 /nfs/dbraw/zinc/87/90/98/486879098.db2.gz JBLBDYCZFOAUHX-WDEREUQCSA-N 1 3 184.327 1.892 20 0 ADADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CCC2)C1 86402675 486878659 /nfs/dbraw/zinc/87/86/59/486878659.db2.gz ATPBONZRADMQRP-GHMZBOCLSA-N 1 3 182.311 1.646 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CC1 86402778 486878686 /nfs/dbraw/zinc/87/86/86/486878686.db2.gz UBNGJSVYMQIOSC-MIMYLULJSA-N 1 3 182.311 1.644 20 0 ADADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CC1 86402777 486878709 /nfs/dbraw/zinc/87/87/09/486878709.db2.gz UBNGJSVYMQIOSC-LSJOCFKGSA-N 1 3 182.311 1.644 20 0 ADADHO N[C@H]1CCC[C@H]([NH2+]CC2CCC2)C1 86402673 486878756 /nfs/dbraw/zinc/87/87/56/486878756.db2.gz ATPBONZRADMQRP-QWRGUYRKSA-N 1 3 182.311 1.646 20 0 ADADHO N[C@H]1CCC[C@H]([NH2+]C2CCC2)C1 86403970 486878771 /nfs/dbraw/zinc/87/87/71/486878771.db2.gz YHRQZWFQAQYCOG-WPRPVWTQSA-N 1 3 168.284 1.398 20 0 ADADHO CC[C@H](C)C[NH2+][C@H]1CCC[C@H](N)C1 86404035 486878791 /nfs/dbraw/zinc/87/87/91/486878791.db2.gz CEMFRIKXZGBFDJ-DCAQKATOSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CC1 86402773 486878812 /nfs/dbraw/zinc/87/88/12/486878812.db2.gz UBNGJSVYMQIOSC-INTQDDNPSA-N 1 3 182.311 1.644 20 0 ADADHO CC(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 86403458 486878822 /nfs/dbraw/zinc/87/88/22/486878822.db2.gz REOBBOJALCSHFR-ZJUUUORDSA-N 1 3 184.327 1.892 20 0 ADADHO CC(C)CC[NH2+][C@H]1CCC[C@@H](N)C1 86401841 486878830 /nfs/dbraw/zinc/87/88/30/486878830.db2.gz JBLBDYCZFOAUHX-MNOVXSKESA-N 1 3 184.327 1.892 20 0 ADADHO N[C@H]1CCC[C@H]([NH2+]C2CCOCC2)C1 86402922 486878835 /nfs/dbraw/zinc/87/88/35/486878835.db2.gz UOSGFBYXYZJVGZ-ONGXEEELSA-N 1 3 198.310 1.025 20 0 ADADHO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 86402625 486878841 /nfs/dbraw/zinc/87/88/41/486878841.db2.gz RCVOHQADXWJDHW-DCAQKATOSA-N 1 3 184.327 1.890 20 0 ADADHO N[C@H]1CCC[C@@H]([NH2+]C2CCOCC2)C1 86402917 486878878 /nfs/dbraw/zinc/87/88/78/486878878.db2.gz UOSGFBYXYZJVGZ-GXSJLCMTSA-N 1 3 198.310 1.025 20 0 ADADHO N[C@H]1CCC[C@@H]([NH2+]C2CCC2)C1 86403968 486878883 /nfs/dbraw/zinc/87/88/83/486878883.db2.gz YHRQZWFQAQYCOG-WCBMZHEXSA-N 1 3 168.284 1.398 20 0 ADADHO CC(C)CC[NH2+][C@@H]1CCC[C@@H](N)C1 86401840 486878903 /nfs/dbraw/zinc/87/89/03/486878903.db2.gz JBLBDYCZFOAUHX-GHMZBOCLSA-N 1 3 184.327 1.892 20 0 ADADHO N[C@H]1CCC[C@@H]([NH2+]CC2CCC2)C1 86402671 486878914 /nfs/dbraw/zinc/87/89/14/486878914.db2.gz ATPBONZRADMQRP-WDEREUQCSA-N 1 3 182.311 1.646 20 0 ADADHO N[C@@H]1CCC[C@H]([NH2+]CC2CCC2)C1 86402676 486878925 /nfs/dbraw/zinc/87/89/25/486878925.db2.gz ATPBONZRADMQRP-MNOVXSKESA-N 1 3 182.311 1.646 20 0 ADADHO CCCC[NH2+][C@@H]1CCC[C@H](N)C1 86401786 486878928 /nfs/dbraw/zinc/87/89/28/486878928.db2.gz RSSGDRWSCFDJNC-VHSXEESVSA-N 1 3 170.300 1.646 20 0 ADADHO CCCC[NH2+][C@@H]1CCC[C@@H](N)C1 86401790 486878930 /nfs/dbraw/zinc/87/89/30/486878930.db2.gz RSSGDRWSCFDJNC-NXEZZACHSA-N 1 3 170.300 1.646 20 0 ADADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCO2)C1 86402158 486878938 /nfs/dbraw/zinc/87/89/38/486878938.db2.gz PGVMHKDORNATET-MXWKQRLJSA-N 1 3 198.310 1.025 20 0 ADADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCO2)C1 86402163 486878959 /nfs/dbraw/zinc/87/89/59/486878959.db2.gz PGVMHKDORNATET-VWYCJHECSA-N 1 3 198.310 1.025 20 0 ADADHO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 86402621 486878993 /nfs/dbraw/zinc/87/89/93/486878993.db2.gz RCVOHQADXWJDHW-GARJFASQSA-N 1 3 184.327 1.890 20 0 ADADHO N[C@@H]1CCC[C@H]([NH2+]C2CCOCC2)C1 86402923 486879001 /nfs/dbraw/zinc/87/90/01/486879001.db2.gz UOSGFBYXYZJVGZ-KOLCDFICSA-N 1 3 198.310 1.025 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 86403854 486879035 /nfs/dbraw/zinc/87/90/35/486879035.db2.gz ARFLSAAAZHWRSV-GUBZILKMSA-N 1 3 182.311 1.644 20 0 ADADHO CC1(C)C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 86403854 486879037 /nfs/dbraw/zinc/87/90/37/486879037.db2.gz ARFLSAAAZHWRSV-GUBZILKMSA-N 1 3 182.311 1.644 20 0 ADADHO CCCC[NH2+][C@H]1CCC[C@H](N)C1 86401788 486879088 /nfs/dbraw/zinc/87/90/88/486879088.db2.gz RSSGDRWSCFDJNC-UWVGGRQHSA-N 1 3 170.300 1.646 20 0 ADADHO CC(C)CC[NH2+][C@H]1CCC[C@H](N)C1 86401837 486879129 /nfs/dbraw/zinc/87/91/29/486879129.db2.gz JBLBDYCZFOAUHX-QWRGUYRKSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H](N)C1 86404029 486879159 /nfs/dbraw/zinc/87/91/59/486879159.db2.gz CEMFRIKXZGBFDJ-GARJFASQSA-N 1 3 184.327 1.892 20 0 ADADHO CCCC[NH2+][C@H]1CCC[C@@H](N)C1 86401792 486879200 /nfs/dbraw/zinc/87/92/00/486879200.db2.gz RSSGDRWSCFDJNC-ZJUUUORDSA-N 1 3 170.300 1.646 20 0 ADADHO N[C@@H]1CCC[C@H]([NH2+]C2CCC2)C1 86403974 486879245 /nfs/dbraw/zinc/87/92/45/486879245.db2.gz YHRQZWFQAQYCOG-SCZZXKLOSA-N 1 3 168.284 1.398 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 86403851 486879257 /nfs/dbraw/zinc/87/92/57/486879257.db2.gz ARFLSAAAZHWRSV-AEJSXWLSSA-N 1 3 182.311 1.644 20 0 ADADHO CC1(C)C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 86403851 486879264 /nfs/dbraw/zinc/87/92/64/486879264.db2.gz ARFLSAAAZHWRSV-AEJSXWLSSA-N 1 3 182.311 1.644 20 0 ADADHO CC(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 86403454 486879274 /nfs/dbraw/zinc/87/92/74/486879274.db2.gz REOBBOJALCSHFR-UWVGGRQHSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CC1 86402775 486879296 /nfs/dbraw/zinc/87/92/96/486879296.db2.gz UBNGJSVYMQIOSC-DVVUODLYSA-N 1 3 182.311 1.644 20 0 ADADHO CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 86403456 486879306 /nfs/dbraw/zinc/87/93/06/486879306.db2.gz REOBBOJALCSHFR-NXEZZACHSA-N 1 3 184.327 1.892 20 0 ADADHO CC(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 86403452 486879394 /nfs/dbraw/zinc/87/93/94/486879394.db2.gz REOBBOJALCSHFR-VHSXEESVSA-N 1 3 184.327 1.892 20 0 ADADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCOCC2)C1 86402919 486879486 /nfs/dbraw/zinc/87/94/86/486879486.db2.gz UOSGFBYXYZJVGZ-MWLCHTKSSA-N 1 3 198.310 1.025 20 0 ADADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCC2)C1 86403972 486879503 /nfs/dbraw/zinc/87/95/03/486879503.db2.gz YHRQZWFQAQYCOG-PSASIEDQSA-N 1 3 168.284 1.398 20 0 ADADHO N[C@H]1CCC[C@@H]([NH2+]CCC2CC2)C1 86404694 486880059 /nfs/dbraw/zinc/88/00/59/486880059.db2.gz OTUSTPRQXXSMAZ-WDEREUQCSA-N 1 3 182.311 1.646 20 0 ADADHO N[C@H]1CCC[C@H]([NH2+]CCC2CC2)C1 86404698 486880420 /nfs/dbraw/zinc/88/04/20/486880420.db2.gz OTUSTPRQXXSMAZ-QWRGUYRKSA-N 1 3 182.311 1.646 20 0 ADADHO N[C@@H]1CCC[C@@H]([NH2+]CCC2CC2)C1 86404696 486880613 /nfs/dbraw/zinc/88/06/13/486880613.db2.gz OTUSTPRQXXSMAZ-GHMZBOCLSA-N 1 3 182.311 1.646 20 0 ADADHO N[C@@H]1CCC[C@H]([NH2+]CCC2CC2)C1 86404700 486880657 /nfs/dbraw/zinc/88/06/57/486880657.db2.gz OTUSTPRQXXSMAZ-MNOVXSKESA-N 1 3 182.311 1.646 20 0 ADADHO CC[C@@H](C)CN(CC)C[C@@H]1CC[NH2+]C1 86437734 486881261 /nfs/dbraw/zinc/88/12/61/486881261.db2.gz GUYBVRARIGYMTK-VXGBXAGGSA-N 1 3 198.354 1.964 20 0 ADADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCC1CC1 86496594 486881293 /nfs/dbraw/zinc/88/12/93/486881293.db2.gz HINFTUMGJNDCOW-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCC1CC1 86496596 486881357 /nfs/dbraw/zinc/88/13/57/486881357.db2.gz HINFTUMGJNDCOW-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C1C[NH2+][C@H]([C@H]2CCC[C@@H]2NC2CC2)C1 86494065 486881413 /nfs/dbraw/zinc/88/14/13/486881413.db2.gz JTKAQDVALDYULJ-WOPDTQHZSA-N 1 3 194.322 1.659 20 0 ADADHO C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2NC2CC2)C1 86494067 486881541 /nfs/dbraw/zinc/88/15/41/486881541.db2.gz JTKAQDVALDYULJ-SRVKXCTJSA-N 1 3 194.322 1.659 20 0 ADADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCC1CC1 86496598 486881596 /nfs/dbraw/zinc/88/15/96/486881596.db2.gz HINFTUMGJNDCOW-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H](C)N[C@H](C)C[C@@H]1CCC[NH2+]1 86494763 486881708 /nfs/dbraw/zinc/88/17/08/486881708.db2.gz SSUGTEAZWXFGTA-AXFHLTTASA-N 1 3 184.327 1.905 20 0 ADADHO CC[C@H](C)C[N@H+](CC)CCCNC 86437415 486881826 /nfs/dbraw/zinc/88/18/26/486881826.db2.gz NYGNJFSTYJFIAD-NSHDSACASA-N 1 3 186.343 1.964 20 0 ADADHO CC[C@H](C)C[N@@H+](CC)CCCNC 86437415 486881830 /nfs/dbraw/zinc/88/18/30/486881830.db2.gz NYGNJFSTYJFIAD-NSHDSACASA-N 1 3 186.343 1.964 20 0 ADADHO CC[C@@H](C)C[N@H+](CC)CCCNC 86437413 486881925 /nfs/dbraw/zinc/88/19/25/486881925.db2.gz NYGNJFSTYJFIAD-LLVKDONJSA-N 1 3 186.343 1.964 20 0 ADADHO CC[C@@H](C)C[N@@H+](CC)CCCNC 86437413 486881931 /nfs/dbraw/zinc/88/19/31/486881931.db2.gz NYGNJFSTYJFIAD-LLVKDONJSA-N 1 3 186.343 1.964 20 0 ADADHO CC[C@H](C)CN(CC)C[C@@H]1CC[NH2+]C1 86437736 486882038 /nfs/dbraw/zinc/88/20/38/486882038.db2.gz GUYBVRARIGYMTK-NWDGAFQWSA-N 1 3 198.354 1.964 20 0 ADADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCC1CC1 86496600 486882066 /nfs/dbraw/zinc/88/20/66/486882066.db2.gz HINFTUMGJNDCOW-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H](C)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 86663204 486882815 /nfs/dbraw/zinc/88/28/15/486882815.db2.gz ZRSANKAZBGSNOS-NFLHVTIKSA-N 1 3 182.311 1.658 20 0 ADADHO C1C[NH2+][C@H]([C@H]2CCC[C@H]2NC2CC2)C1 86494062 486882103 /nfs/dbraw/zinc/88/21/03/486882103.db2.gz JTKAQDVALDYULJ-GRYCIOLGSA-N 1 3 194.322 1.659 20 0 ADADHO CC[C@H](C)N[C@@H](C)C[C@@H]1CCC[NH2+]1 86494760 486882156 /nfs/dbraw/zinc/88/21/56/486882156.db2.gz SSUGTEAZWXFGTA-DCAQKATOSA-N 1 3 184.327 1.905 20 0 ADADHO C1C[NH2+][C@H]([C@@H]2CCC[C@H]2NC2CC2)C1 86494063 486882201 /nfs/dbraw/zinc/88/22/01/486882201.db2.gz JTKAQDVALDYULJ-SDDRHHMPSA-N 1 3 194.322 1.659 20 0 ADADHO CC[C@H](C)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 86663205 486883236 /nfs/dbraw/zinc/88/32/36/486883236.db2.gz ZRSANKAZBGSNOS-GKDVJIACSA-N 1 3 182.311 1.658 20 0 ADADHO CC(C)[NH2+][C@@H]1CCNC2(CCC2)C1 86662815 486883254 /nfs/dbraw/zinc/88/32/54/486883254.db2.gz XHFXRCBVJDPHGJ-SNVBAGLBSA-N 1 3 182.311 1.659 20 0 ADADHO CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 86663334 486883308 /nfs/dbraw/zinc/88/33/08/486883308.db2.gz ZIPWDHRNXDFYHC-HBNTYKKESA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)NCc1ccc(C[NH3+])cc1F 86682304 486883328 /nfs/dbraw/zinc/88/33/28/486883328.db2.gz OWQSSBBJBZGTRJ-UHFFFAOYSA-N 1 3 196.269 1.782 20 0 ADADHO CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 86663332 486883399 /nfs/dbraw/zinc/88/33/99/486883399.db2.gz ZIPWDHRNXDFYHC-GARJFASQSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)[NH2+][C@H]1CCNC2(CCC2)C1 86662816 486883423 /nfs/dbraw/zinc/88/34/23/486883423.db2.gz XHFXRCBVJDPHGJ-JTQLQIEISA-N 1 3 182.311 1.659 20 0 ADADHO CC(C)CC[C@@H](C)[NH2+][C@H]1CCNC1 86725126 486883988 /nfs/dbraw/zinc/88/39/88/486883988.db2.gz XWPZHBNUWHWJTG-MNOVXSKESA-N 1 3 184.327 1.763 20 0 ADADHO CCC[C@H](C)[NH2+][C@H]1CCNC1 86724460 486884047 /nfs/dbraw/zinc/88/40/47/486884047.db2.gz WLUALNMKTCECQB-IUCAKERBSA-N 1 3 156.273 1.127 20 0 ADADHO CC(C)C[C@@H](C)[NH2+][C@@H]1CCNC1 86726234 486884086 /nfs/dbraw/zinc/88/40/86/486884086.db2.gz NKPSHSXIHZHCDF-NXEZZACHSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)[C@@H]1C 86724955 486884111 /nfs/dbraw/zinc/88/41/11/486884111.db2.gz UPZLLRKPULOMHB-DDHJBXDOSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)C1 86726212 486884130 /nfs/dbraw/zinc/88/41/30/486884130.db2.gz PAFZCRBMVZESSH-OUAUKWLOSA-N 1 3 182.311 1.517 20 0 ADADHO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCNC1 86725119 486884143 /nfs/dbraw/zinc/88/41/43/486884143.db2.gz XWPZHBNUWHWJTG-GHMZBOCLSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1 86724824 486884149 /nfs/dbraw/zinc/88/41/49/486884149.db2.gz CMQZCSMEZYFUCE-GMTAPVOTSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1 86727223 486884168 /nfs/dbraw/zinc/88/41/68/486884168.db2.gz YUJIHQASICKFNZ-QJPTWQEYSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)C1 86726218 486884174 /nfs/dbraw/zinc/88/41/74/486884174.db2.gz PAFZCRBMVZESSH-GMTAPVOTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC1 86724819 486884195 /nfs/dbraw/zinc/88/41/95/486884195.db2.gz CMQZCSMEZYFUCE-MXWKQRLJSA-N 1 3 182.311 1.517 20 0 ADADHO C1C[C@H]([NH2+]C(C2CC2)C2CC2)CN1 86725310 486884204 /nfs/dbraw/zinc/88/42/04/486884204.db2.gz YFNXVCXBYOPTPS-JTQLQIEISA-N 1 3 180.295 1.127 20 0 ADADHO CC(C)CC[C@H](C)[NH2+][C@H]1CCNC1 86725129 486884209 /nfs/dbraw/zinc/88/42/09/486884209.db2.gz XWPZHBNUWHWJTG-QWRGUYRKSA-N 1 3 184.327 1.763 20 0 ADADHO CCC[C@H](C)[NH2+][C@@H]1CCNC1 86724456 486884214 /nfs/dbraw/zinc/88/42/14/486884214.db2.gz WLUALNMKTCECQB-DTWKUNHWSA-N 1 3 156.273 1.127 20 0 ADADHO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC1 86724822 486884225 /nfs/dbraw/zinc/88/42/25/486884225.db2.gz CMQZCSMEZYFUCE-AXFHLTTASA-N 1 3 182.311 1.517 20 0 ADADHO CCC[C@@H](C)[NH2+][C@@H]1CCNC1 86724452 486884259 /nfs/dbraw/zinc/88/42/59/486884259.db2.gz WLUALNMKTCECQB-RKDXNWHRSA-N 1 3 156.273 1.127 20 0 ADADHO C1C[C@@H]([NH2+]C(C2CC2)C2CC2)CN1 86725308 486884269 /nfs/dbraw/zinc/88/42/69/486884269.db2.gz YFNXVCXBYOPTPS-SNVBAGLBSA-N 1 3 180.295 1.127 20 0 ADADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC1 86727214 486884294 /nfs/dbraw/zinc/88/42/94/486884294.db2.gz YUJIHQASICKFNZ-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)C1 86726219 486884303 /nfs/dbraw/zinc/88/43/03/486884303.db2.gz PAFZCRBMVZESSH-HBNTYKKESA-N 1 3 182.311 1.517 20 0 ADADHO CC(C)CC[C@H](C)[NH2+][C@@H]1CCNC1 86725122 486884321 /nfs/dbraw/zinc/88/43/21/486884321.db2.gz XWPZHBNUWHWJTG-WDEREUQCSA-N 1 3 184.327 1.763 20 0 ADADHO CCC[C@@H](C)[NH2+][C@H]1CCNC1 86724457 486884365 /nfs/dbraw/zinc/88/43/65/486884365.db2.gz WLUALNMKTCECQB-BDAKNGLRSA-N 1 3 156.273 1.127 20 0 ADADHO CC(C)C[C@H](C)[NH2+][C@@H]1CCNC1 86726237 486884489 /nfs/dbraw/zinc/88/44/89/486884489.db2.gz NKPSHSXIHZHCDF-VHSXEESVSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)C1 86726214 486884526 /nfs/dbraw/zinc/88/45/26/486884526.db2.gz PAFZCRBMVZESSH-GARJFASQSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1 86727219 486884574 /nfs/dbraw/zinc/88/45/74/486884574.db2.gz YUJIHQASICKFNZ-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC1 86727216 486884637 /nfs/dbraw/zinc/88/46/37/486884637.db2.gz YUJIHQASICKFNZ-TUAOUCFPSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)[C@@H]1C 86724950 486884782 /nfs/dbraw/zinc/88/47/82/486884782.db2.gz UPZLLRKPULOMHB-KKOKHZNYSA-N 1 3 196.338 1.763 20 0 ADADHO C1CCC(CC[NH2+][C@@H]2CCNC2)CC1 86728379 486886187 /nfs/dbraw/zinc/88/61/87/486886187.db2.gz FAGSPMOYCKDCTF-GFCCVEGCSA-N 1 3 196.338 1.908 20 0 ADADHO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1 86724827 486884909 /nfs/dbraw/zinc/88/49/09/486884909.db2.gz CMQZCSMEZYFUCE-HBNTYKKESA-N 1 3 182.311 1.517 20 0 ADADHO CC(C)C[C@@H](C)[NH2+][C@H]1CCNC1 86726240 486884966 /nfs/dbraw/zinc/88/49/66/486884966.db2.gz NKPSHSXIHZHCDF-ZJUUUORDSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)C[C@H](C)[NH2+][C@H]1CCNC1 86726242 486885028 /nfs/dbraw/zinc/88/50/28/486885028.db2.gz NKPSHSXIHZHCDF-UWVGGRQHSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1 86729447 486885327 /nfs/dbraw/zinc/88/53/27/486885327.db2.gz LGONDIROOLAWST-IJLUTSLNSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@H]([NH2+][C@H]1CCNC1)C(C)C 86729279 486885405 /nfs/dbraw/zinc/88/54/05/486885405.db2.gz VIRGNKMAXAOOAO-UWVGGRQHSA-N 1 3 170.300 1.373 20 0 ADADHO CC[C@@H]([NH2+][C@@H]1CCNC1)C(C)C 86729278 486885438 /nfs/dbraw/zinc/88/54/38/486885438.db2.gz VIRGNKMAXAOOAO-NXEZZACHSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 86730043 486885451 /nfs/dbraw/zinc/88/54/51/486885451.db2.gz IYFFANINOMPMND-AEJSXWLSSA-N 1 3 168.284 1.127 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCNC1 86729259 486885477 /nfs/dbraw/zinc/88/54/77/486885477.db2.gz RLTXLWDDLHLQPY-IVZWLZJFSA-N 1 3 170.300 1.373 20 0 ADADHO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCNC1 86729255 486885490 /nfs/dbraw/zinc/88/54/90/486885490.db2.gz RLTXLWDDLHLQPY-OPRDCNLKSA-N 1 3 170.300 1.373 20 0 ADADHO CCC[C@@H](CC)[NH2+][C@H]1CCNC1 86729685 486885519 /nfs/dbraw/zinc/88/55/19/486885519.db2.gz OWBHUVLYJLORAE-ZJUUUORDSA-N 1 3 170.300 1.517 20 0 ADADHO C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CCNC1 86729452 486885574 /nfs/dbraw/zinc/88/55/74/486885574.db2.gz LGONDIROOLAWST-SDDRHHMPSA-N 1 3 196.338 1.764 20 0 ADADHO CCCC[C@@H](C)[NH2+][C@H]1CCNC1 86729702 486885597 /nfs/dbraw/zinc/88/55/97/486885597.db2.gz YYIZYBSADSXCOB-ZJUUUORDSA-N 1 3 170.300 1.517 20 0 ADADHO CCCC[C@H](C)[NH2+][C@H]1CCNC1 86729707 486885628 /nfs/dbraw/zinc/88/56/28/486885628.db2.gz YYIZYBSADSXCOB-UWVGGRQHSA-N 1 3 170.300 1.517 20 0 ADADHO CC[C@@H]([NH2+][C@H]1CCNC1)C(C)C 86729281 486885650 /nfs/dbraw/zinc/88/56/50/486885650.db2.gz VIRGNKMAXAOOAO-VHSXEESVSA-N 1 3 170.300 1.373 20 0 ADADHO CC[C@H]([NH2+][C@@H]1CCNC1)C(C)C 86729276 486885702 /nfs/dbraw/zinc/88/57/02/486885702.db2.gz VIRGNKMAXAOOAO-ZJUUUORDSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@@H](CC1CC1)[NH2+][C@@H]1CCNC1 86730227 486885805 /nfs/dbraw/zinc/88/58/05/486885805.db2.gz IWMVHCBRMLUUBQ-WCBMZHEXSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCNC1 86729451 486885842 /nfs/dbraw/zinc/88/58/42/486885842.db2.gz LGONDIROOLAWST-GRYCIOLGSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 86730050 486885900 /nfs/dbraw/zinc/88/59/00/486885900.db2.gz IYFFANINOMPMND-IVZWLZJFSA-N 1 3 168.284 1.127 20 0 ADADHO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCNC1 86729261 486885927 /nfs/dbraw/zinc/88/59/27/486885927.db2.gz RLTXLWDDLHLQPY-KXUCPTDWSA-N 1 3 170.300 1.373 20 0 ADADHO CCC[C@@H](CC)[NH2+][C@@H]1CCNC1 86729682 486885980 /nfs/dbraw/zinc/88/59/80/486885980.db2.gz OWBHUVLYJLORAE-NXEZZACHSA-N 1 3 170.300 1.517 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 86730041 486886046 /nfs/dbraw/zinc/88/60/46/486886046.db2.gz IYFFANINOMPMND-BBBLOLIVSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H](CC1CC1)[NH2+][C@H]1CCNC1 86730231 486886067 /nfs/dbraw/zinc/88/60/67/486886067.db2.gz IWMVHCBRMLUUBQ-WPRPVWTQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCNC1 86730229 486886149 /nfs/dbraw/zinc/88/61/49/486886149.db2.gz IWMVHCBRMLUUBQ-PSASIEDQSA-N 1 3 168.284 1.127 20 0 ADADHO CCCC[C@@H](C)[NH2+][C@@H]1CCNC1 86729698 486886166 /nfs/dbraw/zinc/88/61/66/486886166.db2.gz YYIZYBSADSXCOB-NXEZZACHSA-N 1 3 170.300 1.517 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 86730047 486886178 /nfs/dbraw/zinc/88/61/78/486886178.db2.gz IYFFANINOMPMND-OPRDCNLKSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1 86729449 486886227 /nfs/dbraw/zinc/88/62/27/486886227.db2.gz LGONDIROOLAWST-QJPTWQEYSA-N 1 3 196.338 1.764 20 0 ADADHO CCCC[C@H](C)[NH2+][C@@H]1CCNC1 86729701 486886268 /nfs/dbraw/zinc/88/62/68/486886268.db2.gz YYIZYBSADSXCOB-VHSXEESVSA-N 1 3 170.300 1.517 20 0 ADADHO CC(C)CCC[NH2+][C@@H]1CCNC1 86729055 486886281 /nfs/dbraw/zinc/88/62/81/486886281.db2.gz UJYSQAOPUUVHDS-SNVBAGLBSA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC1 86729263 486886314 /nfs/dbraw/zinc/88/63/14/486886314.db2.gz RLTXLWDDLHLQPY-LPEHRKFASA-N 1 3 170.300 1.373 20 0 ADADHO CCC[C@H](CC)[NH2+][C@@H]1CCNC1 86729684 486886333 /nfs/dbraw/zinc/88/63/33/486886333.db2.gz OWBHUVLYJLORAE-VHSXEESVSA-N 1 3 170.300 1.517 20 0 ADADHO CCC[C@H](CC)[NH2+][C@H]1CCNC1 86729686 486886344 /nfs/dbraw/zinc/88/63/44/486886344.db2.gz OWBHUVLYJLORAE-UWVGGRQHSA-N 1 3 170.300 1.517 20 0 ADADHO C1CCC(CC[NH2+][C@H]2CCNC2)CC1 86728384 486886376 /nfs/dbraw/zinc/88/63/76/486886376.db2.gz FAGSPMOYCKDCTF-LBPRGKRZSA-N 1 3 196.338 1.908 20 0 ADADHO CC(C)CCC[NH2+][C@H]1CCNC1 86729058 486886411 /nfs/dbraw/zinc/88/64/11/486886411.db2.gz UJYSQAOPUUVHDS-JTQLQIEISA-N 1 3 170.300 1.374 20 0 ADADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2)CC[C@H]1C 86730479 486886917 /nfs/dbraw/zinc/88/69/17/486886917.db2.gz OIVCMDPJYMFWID-NOOOWODRSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC([NH2+][C@@H]2CCNC2)C[C@@H](C)C1 86730474 486887013 /nfs/dbraw/zinc/88/70/13/486887013.db2.gz MRTJMTGHHVXQIN-GARJFASQSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)C1 86730492 486887187 /nfs/dbraw/zinc/88/71/87/486887187.db2.gz MJINFQXSDFPESX-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC2)[C@H](C)C1 86730248 486887430 /nfs/dbraw/zinc/88/74/30/486887430.db2.gz ZKVWULVLUGKKST-KKOKHZNYSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)C1 86730487 486887483 /nfs/dbraw/zinc/88/74/83/486887483.db2.gz MJINFQXSDFPESX-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)C1 86730494 486887494 /nfs/dbraw/zinc/88/74/94/486887494.db2.gz MJINFQXSDFPESX-QJPTWQEYSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCNC2)CC[C@H]1C 86730483 486887503 /nfs/dbraw/zinc/88/75/03/486887503.db2.gz OIVCMDPJYMFWID-WRWGMCAJSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CC([NH2+][C@@H]2CCNC2)C[C@H](C)C1 86730476 486887526 /nfs/dbraw/zinc/88/75/26/486887526.db2.gz MRTJMTGHHVXQIN-GMTAPVOTSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](CC1CC1)[NH2+][C@H]1CCNC1 86730232 486887586 /nfs/dbraw/zinc/88/75/86/486887586.db2.gz IWMVHCBRMLUUBQ-SCZZXKLOSA-N 1 3 168.284 1.127 20 0 ADADHO CC[C@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)C1 86730490 486887624 /nfs/dbraw/zinc/88/76/24/486887624.db2.gz MJINFQXSDFPESX-SDDRHHMPSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC2)[C@H](C)C1 86730251 486887635 /nfs/dbraw/zinc/88/76/35/486887635.db2.gz ZKVWULVLUGKKST-DDHJBXDOSA-N 1 3 196.338 1.763 20 0 ADADHO CCC(CC)[N@H+](CCCN)C1CC1 87156890 486891626 /nfs/dbraw/zinc/89/16/26/486891626.db2.gz RYZLSFUBFALCFI-UHFFFAOYSA-N 1 3 184.327 1.988 20 0 ADADHO CCC(CC)[N@@H+](CCCN)C1CC1 87156890 486891632 /nfs/dbraw/zinc/89/16/32/486891632.db2.gz RYZLSFUBFALCFI-UHFFFAOYSA-N 1 3 184.327 1.988 20 0 ADADHO CCCN(C)CCC[NH+]1CCCC1 677681632 486892184 /nfs/dbraw/zinc/89/21/84/486892184.db2.gz JOCAHTRINSQKBC-UHFFFAOYSA-N 1 3 184.327 1.814 20 0 ADADHO CN(CCC[NH+]1CCCC1)CC1CC1 677675544 486892779 /nfs/dbraw/zinc/89/27/79/486892779.db2.gz GUSXGLOWOZIUAP-UHFFFAOYSA-N 1 3 196.338 1.814 20 0 ADADHO CCC(CC)C[N@H+](C)CCCNC 87472321 486896136 /nfs/dbraw/zinc/89/61/36/486896136.db2.gz KNWJPXVZVNCDLT-UHFFFAOYSA-N 1 3 186.343 1.964 20 0 ADADHO CCC(CC)C[N@@H+](C)CCCNC 87472321 486896141 /nfs/dbraw/zinc/89/61/41/486896141.db2.gz KNWJPXVZVNCDLT-UHFFFAOYSA-N 1 3 186.343 1.964 20 0 ADADHO CCC(CC)CN(C)CCC[NH2+]C 87472321 486896143 /nfs/dbraw/zinc/89/61/43/486896143.db2.gz KNWJPXVZVNCDLT-UHFFFAOYSA-N 1 3 186.343 1.964 20 0 ADADHO C[NH2+]CCCN(C)[C@H](C)C1(C)CC1 87472199 486896756 /nfs/dbraw/zinc/89/67/56/486896756.db2.gz IUGJRNPVBIOSHA-SNVBAGLBSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@H+](C)[C@H](C)C1(C)CC1 87472199 486896758 /nfs/dbraw/zinc/89/67/58/486896758.db2.gz IUGJRNPVBIOSHA-SNVBAGLBSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@@H+](C)[C@H](C)C1(C)CC1 87472199 486896762 /nfs/dbraw/zinc/89/67/62/486896762.db2.gz IUGJRNPVBIOSHA-SNVBAGLBSA-N 1 3 184.327 1.716 20 0 ADADHO C[NH2+]CCCN(C)C1CCC1 87472401 486896786 /nfs/dbraw/zinc/89/67/86/486896786.db2.gz ZDHBFDRJCHWYMX-UHFFFAOYSA-N 1 3 156.273 1.080 20 0 ADADHO CNCCC[N@H+](C)C1CCC1 87472401 486896789 /nfs/dbraw/zinc/89/67/89/486896789.db2.gz ZDHBFDRJCHWYMX-UHFFFAOYSA-N 1 3 156.273 1.080 20 0 ADADHO CNCCC[N@@H+](C)C1CCC1 87472401 486896791 /nfs/dbraw/zinc/89/67/91/486896791.db2.gz ZDHBFDRJCHWYMX-UHFFFAOYSA-N 1 3 156.273 1.080 20 0 ADADHO C[NH2+]CCCN(C)[C@@H](C)C1(C)CC1 87472198 486896885 /nfs/dbraw/zinc/89/68/85/486896885.db2.gz IUGJRNPVBIOSHA-JTQLQIEISA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@H+](C)[C@@H](C)C1(C)CC1 87472198 486896891 /nfs/dbraw/zinc/89/68/91/486896891.db2.gz IUGJRNPVBIOSHA-JTQLQIEISA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@@H+](C)[C@@H](C)C1(C)CC1 87472198 486896896 /nfs/dbraw/zinc/89/68/96/486896896.db2.gz IUGJRNPVBIOSHA-JTQLQIEISA-N 1 3 184.327 1.716 20 0 ADADHO C[NH2+]CCCN(C)CCC(C)(C)C 87472400 486896921 /nfs/dbraw/zinc/89/69/21/486896921.db2.gz PCQNVUCOQFUFRQ-UHFFFAOYSA-N 1 3 186.343 1.964 20 0 ADADHO CNCCC[N@H+](C)CCC(C)(C)C 87472400 486896925 /nfs/dbraw/zinc/89/69/25/486896925.db2.gz PCQNVUCOQFUFRQ-UHFFFAOYSA-N 1 3 186.343 1.964 20 0 ADADHO CNCCC[N@@H+](C)CCC(C)(C)C 87472400 486896929 /nfs/dbraw/zinc/89/69/29/486896929.db2.gz PCQNVUCOQFUFRQ-UHFFFAOYSA-N 1 3 186.343 1.964 20 0 ADADHO CC[C@H](C)CN(C)C1CC([NH3+])C1 87653204 486898904 /nfs/dbraw/zinc/89/89/04/486898904.db2.gz QCWZVVYMQRCLBE-IDKOKCKLSA-N 1 3 170.300 1.454 20 0 ADADHO CN(CC1CCCCC1)C1CC([NH3+])C1 87653335 486898997 /nfs/dbraw/zinc/89/89/97/486898997.db2.gz XXJZFDHMKFLAHH-UHFFFAOYSA-N 1 3 196.338 1.988 20 0 ADADHO CCC[C@H](C)[NH2+]C[C@H]1CCCNC1 87645975 486899018 /nfs/dbraw/zinc/89/90/18/486899018.db2.gz KKGXYELYJOMJNE-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCNC1 87647185 486899059 /nfs/dbraw/zinc/89/90/59/486899059.db2.gz SUERVAFEZGSQIK-IJLUTSLNSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]([NH2+]C[C@H]1CCCNC1)C1CC1 87646399 486899148 /nfs/dbraw/zinc/89/91/48/486899148.db2.gz BJYWWJUFTPIZMF-ZJUUUORDSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCNC1 87647277 486899190 /nfs/dbraw/zinc/89/91/90/486899190.db2.gz GWQQPNBGQOPWFK-CMPLNLGQSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)CCN(C)C1CC([NH3+])C1 87653316 486899253 /nfs/dbraw/zinc/89/92/53/486899253.db2.gz YFOAWANWPGXTTA-UHFFFAOYSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)CC[N@H+](C)C1CC(N)C1 87653316 486899256 /nfs/dbraw/zinc/89/92/56/486899256.db2.gz YFOAWANWPGXTTA-UHFFFAOYSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)CC[N@@H+](C)C1CC(N)C1 87653316 486899261 /nfs/dbraw/zinc/89/92/61/486899261.db2.gz YFOAWANWPGXTTA-UHFFFAOYSA-N 1 3 170.300 1.454 20 0 ADADHO CCC[C@@H](C)[NH2+]C[C@@H]1CCCNC1 87645968 486899272 /nfs/dbraw/zinc/89/92/72/486899272.db2.gz KKGXYELYJOMJNE-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 87646394 486899286 /nfs/dbraw/zinc/89/92/86/486899286.db2.gz BJYWWJUFTPIZMF-VHSXEESVSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 87647181 486899306 /nfs/dbraw/zinc/89/93/06/486899306.db2.gz SUERVAFEZGSQIK-UTUOFQBUSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCNC1 87647279 486899321 /nfs/dbraw/zinc/89/93/21/486899321.db2.gz GWQQPNBGQOPWFK-ZYHUDNBSSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCNC1 87647284 486899338 /nfs/dbraw/zinc/89/93/38/486899338.db2.gz GWQQPNBGQOPWFK-PWSUYJOCSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]([NH2+]C[C@H]1CCCNC1)C1CC1 87646397 486899362 /nfs/dbraw/zinc/89/93/62/486899362.db2.gz BJYWWJUFTPIZMF-UWVGGRQHSA-N 1 3 182.311 1.374 20 0 ADADHO CCC[C@@H](C)[NH2+]C[C@H]1CCCNC1 87645972 486899432 /nfs/dbraw/zinc/89/94/32/486899432.db2.gz KKGXYELYJOMJNE-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H](C)CN(C)C1CC([NH3+])C1 87653203 486899452 /nfs/dbraw/zinc/89/94/52/486899452.db2.gz QCWZVVYMQRCLBE-XNWIYYODSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)[C@@H](C)[NH2+]C[C@H]1CCCNC1 87646304 486899465 /nfs/dbraw/zinc/89/94/65/486899465.db2.gz JEAPVCABHMBKBY-MNOVXSKESA-N 1 3 184.327 1.620 20 0 ADADHO CCC[C@H](C)[NH2+]C[C@@H]1CCCNC1 87645971 486899482 /nfs/dbraw/zinc/89/94/82/486899482.db2.gz KKGXYELYJOMJNE-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)[C@H](C)[NH2+]C[C@@H]1CCCNC1 87646302 486899575 /nfs/dbraw/zinc/89/95/75/486899575.db2.gz JEAPVCABHMBKBY-WDEREUQCSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 87646396 486899584 /nfs/dbraw/zinc/89/95/84/486899584.db2.gz BJYWWJUFTPIZMF-NXEZZACHSA-N 1 3 182.311 1.374 20 0 ADADHO CC(C)[C@H](C)[NH2+]C[C@H]1CCCNC1 87646305 486899593 /nfs/dbraw/zinc/89/95/93/486899593.db2.gz JEAPVCABHMBKBY-QWRGUYRKSA-N 1 3 184.327 1.620 20 0 ADADHO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCNC1 87646299 486899686 /nfs/dbraw/zinc/89/96/86/486899686.db2.gz JEAPVCABHMBKBY-GHMZBOCLSA-N 1 3 184.327 1.620 20 0 ADADHO CCCCCN(C)C1CC([NH3+])C1 87653202 486899727 /nfs/dbraw/zinc/89/97/27/486899727.db2.gz RNOHHGYJXWYOLI-UHFFFAOYSA-N 1 3 170.300 1.598 20 0 ADADHO CCCCC[N@H+](C)C1CC(N)C1 87653202 486899731 /nfs/dbraw/zinc/89/97/31/486899731.db2.gz RNOHHGYJXWYOLI-UHFFFAOYSA-N 1 3 170.300 1.598 20 0 ADADHO CCCCC[N@@H+](C)C1CC(N)C1 87653202 486899734 /nfs/dbraw/zinc/89/97/34/486899734.db2.gz RNOHHGYJXWYOLI-UHFFFAOYSA-N 1 3 170.300 1.598 20 0 ADADHO C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCNC1 87647282 486899742 /nfs/dbraw/zinc/89/97/42/486899742.db2.gz GWQQPNBGQOPWFK-JQWIXIFHSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]([NH3+])[C@H]1CCCN(CCCF)C1 88023889 486905602 /nfs/dbraw/zinc/90/56/02/486905602.db2.gz YLRLWGBPRZNSMB-UWVGGRQHSA-N 1 3 188.290 1.405 20 0 ADADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCCF 88023912 486905640 /nfs/dbraw/zinc/90/56/40/486905640.db2.gz IKRWBNYVANOXNS-ZJUUUORDSA-N 1 3 188.290 1.548 20 0 ADADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCCF 88023912 486905648 /nfs/dbraw/zinc/90/56/48/486905648.db2.gz IKRWBNYVANOXNS-ZJUUUORDSA-N 1 3 188.290 1.548 20 0 ADADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCF)C1 88023888 486905781 /nfs/dbraw/zinc/90/57/81/486905781.db2.gz YLRLWGBPRZNSMB-NXEZZACHSA-N 1 3 188.290 1.405 20 0 ADADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCCF 88023914 486906062 /nfs/dbraw/zinc/90/60/62/486906062.db2.gz IKRWBNYVANOXNS-NXEZZACHSA-N 1 3 188.290 1.548 20 0 ADADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCCF 88023914 486906063 /nfs/dbraw/zinc/90/60/63/486906063.db2.gz IKRWBNYVANOXNS-NXEZZACHSA-N 1 3 188.290 1.548 20 0 ADADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCF)C1 88023887 486906097 /nfs/dbraw/zinc/90/60/97/486906097.db2.gz YLRLWGBPRZNSMB-VHSXEESVSA-N 1 3 188.290 1.405 20 0 ADADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCF)C1 88023890 486906171 /nfs/dbraw/zinc/90/61/71/486906171.db2.gz YLRLWGBPRZNSMB-ZJUUUORDSA-N 1 3 188.290 1.405 20 0 ADADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCCF 88023913 486906224 /nfs/dbraw/zinc/90/62/24/486906224.db2.gz IKRWBNYVANOXNS-VHSXEESVSA-N 1 3 188.290 1.548 20 0 ADADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCCF 88023913 486906228 /nfs/dbraw/zinc/90/62/28/486906228.db2.gz IKRWBNYVANOXNS-VHSXEESVSA-N 1 3 188.290 1.548 20 0 ADADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCCF 88023911 486906288 /nfs/dbraw/zinc/90/62/88/486906288.db2.gz IKRWBNYVANOXNS-UWVGGRQHSA-N 1 3 188.290 1.548 20 0 ADADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCCF 88023911 486906293 /nfs/dbraw/zinc/90/62/93/486906293.db2.gz IKRWBNYVANOXNS-UWVGGRQHSA-N 1 3 188.290 1.548 20 0 ADADHO NCC[C@@H]1CCCC[N@@H+]1CCCF 88026371 486907111 /nfs/dbraw/zinc/90/71/11/486907111.db2.gz QUQZDYSISXOTPC-JTQLQIEISA-N 1 3 188.290 1.549 20 0 ADADHO NCC[C@@H]1CCCC[N@H+]1CCCF 88026371 486907116 /nfs/dbraw/zinc/90/71/16/486907116.db2.gz QUQZDYSISXOTPC-JTQLQIEISA-N 1 3 188.290 1.549 20 0 ADADHO [NH3+]CC[C@@H]1CCCCN1CCCF 88026371 486907120 /nfs/dbraw/zinc/90/71/20/486907120.db2.gz QUQZDYSISXOTPC-JTQLQIEISA-N 1 3 188.290 1.549 20 0 ADADHO NCC[C@H]1CCCC[N@@H+]1CCCF 88026372 486907163 /nfs/dbraw/zinc/90/71/63/486907163.db2.gz QUQZDYSISXOTPC-SNVBAGLBSA-N 1 3 188.290 1.549 20 0 ADADHO NCC[C@H]1CCCC[N@H+]1CCCF 88026372 486907167 /nfs/dbraw/zinc/90/71/67/486907167.db2.gz QUQZDYSISXOTPC-SNVBAGLBSA-N 1 3 188.290 1.549 20 0 ADADHO [NH3+]CC[C@H]1CCCCN1CCCF 88026372 486907168 /nfs/dbraw/zinc/90/71/68/486907168.db2.gz QUQZDYSISXOTPC-SNVBAGLBSA-N 1 3 188.290 1.549 20 0 ADADHO CN(CCCF)C1CC[NH2+]CC1 88026312 486907186 /nfs/dbraw/zinc/90/71/86/486907186.db2.gz IQJWHDPXDZHXSS-UHFFFAOYSA-N 1 3 174.263 1.030 20 0 ADADHO C[N@H+](CCCF)C1CCNCC1 88026312 486907188 /nfs/dbraw/zinc/90/71/88/486907188.db2.gz IQJWHDPXDZHXSS-UHFFFAOYSA-N 1 3 174.263 1.030 20 0 ADADHO C[N@@H+](CCCF)C1CCNCC1 88026312 486907190 /nfs/dbraw/zinc/90/71/90/486907190.db2.gz IQJWHDPXDZHXSS-UHFFFAOYSA-N 1 3 174.263 1.030 20 0 ADADHO C[NH2+]C[C@@H]1CCCN(CCCF)C1 88025645 486907254 /nfs/dbraw/zinc/90/72/54/486907254.db2.gz IJBGDJOQXJKEOS-JTQLQIEISA-N 1 3 188.290 1.277 20 0 ADADHO C[NH2+]C[C@H]1CCCN(CCCF)C1 88025646 486907380 /nfs/dbraw/zinc/90/73/80/486907380.db2.gz IJBGDJOQXJKEOS-SNVBAGLBSA-N 1 3 188.290 1.277 20 0 ADADHO NC1(C[NH2+]Cc2cccs2)CCC1 88051825 486908808 /nfs/dbraw/zinc/90/88/08/486908808.db2.gz NGQMKLOVABYKEX-UHFFFAOYSA-N 1 3 196.319 1.719 20 0 ADADHO CC[C@@H]1C[N@@H+](C(C)C)CC[C@@H]1N 89065031 486910716 /nfs/dbraw/zinc/91/07/16/486910716.db2.gz YMGXWYLGNVEXDY-ZJUUUORDSA-N 1 3 170.300 1.454 20 0 ADADHO CC[C@@H]1C[N@H+](C(C)C)CC[C@@H]1N 89065031 486910722 /nfs/dbraw/zinc/91/07/22/486910722.db2.gz YMGXWYLGNVEXDY-ZJUUUORDSA-N 1 3 170.300 1.454 20 0 ADADHO CC[C@@H]1CN(C(C)C)CC[C@@H]1[NH3+] 89065031 486910724 /nfs/dbraw/zinc/91/07/24/486910724.db2.gz YMGXWYLGNVEXDY-ZJUUUORDSA-N 1 3 170.300 1.454 20 0 ADADHO CC[C@H]1CN(CC)CC[C@@H]1[NH3+] 89065030 486910947 /nfs/dbraw/zinc/91/09/47/486910947.db2.gz XPFVOJPNTIEVNC-IUCAKERBSA-N 1 3 156.273 1.066 20 0 ADADHO CC[C@@H]1CN(CC)CC[C@@H]1[NH3+] 89065029 486910962 /nfs/dbraw/zinc/91/09/62/486910962.db2.gz XPFVOJPNTIEVNC-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO CC[C@H]1C[N@@H+](C(C)C)CC[C@@H]1N 89065032 486911043 /nfs/dbraw/zinc/91/10/43/486911043.db2.gz YMGXWYLGNVEXDY-UWVGGRQHSA-N 1 3 170.300 1.454 20 0 ADADHO CC[C@H]1C[N@H+](C(C)C)CC[C@@H]1N 89065032 486911047 /nfs/dbraw/zinc/91/10/47/486911047.db2.gz YMGXWYLGNVEXDY-UWVGGRQHSA-N 1 3 170.300 1.454 20 0 ADADHO CC[C@H]1CN(C(C)C)CC[C@@H]1[NH3+] 89065032 486911054 /nfs/dbraw/zinc/91/10/54/486911054.db2.gz YMGXWYLGNVEXDY-UWVGGRQHSA-N 1 3 170.300 1.454 20 0 ADADHO C[C@@H]1CCC[C@@H](CN2CC[C@H]([NH3+])C2)C1 91375463 486912043 /nfs/dbraw/zinc/91/20/43/486912043.db2.gz GYLHSAHYVQCKII-UTUOFQBUSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CCC[C@H](CN2CC[C@H]([NH3+])C2)C1 91375460 486912092 /nfs/dbraw/zinc/91/20/92/486912092.db2.gz GYLHSAHYVQCKII-SRVKXCTJSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CCC[C@@H](CN2CC[C@H]([NH3+])C2)C1 91375465 486912147 /nfs/dbraw/zinc/91/21/47/486912147.db2.gz GYLHSAHYVQCKII-TUAOUCFPSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CCC[C@H](CN2CC[C@H]([NH3+])C2)C1 91375459 486912455 /nfs/dbraw/zinc/91/24/55/486912455.db2.gz GYLHSAHYVQCKII-WOPDTQHZSA-N 1 3 196.338 1.846 20 0 ADADHO CN(CC[C@H]1CCC[N@@H+]1C)C1CCC1 678079343 486916272 /nfs/dbraw/zinc/91/62/72/486916272.db2.gz VKXFNJFBUHSGAH-GFCCVEGCSA-N 1 3 196.338 1.955 20 0 ADADHO CN(CC[C@H]1CCC[N@H+]1C)C1CCC1 678079343 486916276 /nfs/dbraw/zinc/91/62/76/486916276.db2.gz VKXFNJFBUHSGAH-GFCCVEGCSA-N 1 3 196.338 1.955 20 0 ADADHO CCCN(C)CC[C@@H]1CCC[N@@H+]1C 678074554 486916316 /nfs/dbraw/zinc/91/63/16/486916316.db2.gz MVJZDEWYEXXBMI-NSHDSACASA-N 1 3 184.327 1.813 20 0 ADADHO CCCN(C)CC[C@@H]1CCC[N@H+]1C 678074554 486916322 /nfs/dbraw/zinc/91/63/22/486916322.db2.gz MVJZDEWYEXXBMI-NSHDSACASA-N 1 3 184.327 1.813 20 0 ADADHO CN(CC[C@@H]1CCC[N@@H+]1C)C1CCC1 678079345 486916542 /nfs/dbraw/zinc/91/65/42/486916542.db2.gz VKXFNJFBUHSGAH-LBPRGKRZSA-N 1 3 196.338 1.955 20 0 ADADHO CN(CC[C@@H]1CCC[N@H+]1C)C1CCC1 678079345 486916547 /nfs/dbraw/zinc/91/65/47/486916547.db2.gz VKXFNJFBUHSGAH-LBPRGKRZSA-N 1 3 196.338 1.955 20 0 ADADHO CCCN(C)CC[C@H]1CCC[N@@H+]1C 678074553 486916673 /nfs/dbraw/zinc/91/66/73/486916673.db2.gz MVJZDEWYEXXBMI-LLVKDONJSA-N 1 3 184.327 1.813 20 0 ADADHO CCCN(C)CC[C@H]1CCC[N@H+]1C 678074553 486916676 /nfs/dbraw/zinc/91/66/76/486916676.db2.gz MVJZDEWYEXXBMI-LLVKDONJSA-N 1 3 184.327 1.813 20 0 ADADHO CC[C@H](N)C[NH2+]Cc1ccc(C)cc1 107778245 486921316 /nfs/dbraw/zinc/92/13/16/486921316.db2.gz PZEDLFBDCHJWPW-LBPRGKRZSA-N 1 3 192.306 1.822 20 0 ADADHO CC[NH2+]CCNCC(CC)CC 107801837 486921351 /nfs/dbraw/zinc/92/13/51/486921351.db2.gz RDRSWXXLDFZLTC-UHFFFAOYSA-N 1 3 172.316 1.622 20 0 ADADHO CC[C@@H](N)C[NH2+]Cc1ccc(C)cc1 107778249 486921495 /nfs/dbraw/zinc/92/14/95/486921495.db2.gz PZEDLFBDCHJWPW-GFCCVEGCSA-N 1 3 192.306 1.822 20 0 ADADHO CC(C)(C)[C@@H]1CC[N@H+](CCCN)C1 108297439 486922291 /nfs/dbraw/zinc/92/22/91/486922291.db2.gz GFPHHZWAYNRDBE-SNVBAGLBSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)(C)[C@@H]1CC[N@@H+](CCCN)C1 108297439 486922295 /nfs/dbraw/zinc/92/22/95/486922295.db2.gz GFPHHZWAYNRDBE-SNVBAGLBSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)[C@@H]1CCCC[N@@H+]1CCCN 108297446 486922322 /nfs/dbraw/zinc/92/23/22/486922322.db2.gz KSBFJHARKOZRSD-NSHDSACASA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)[C@@H]1CCCC[N@H+]1CCCN 108297446 486922323 /nfs/dbraw/zinc/92/23/23/486922323.db2.gz KSBFJHARKOZRSD-NSHDSACASA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)(C)[C@H]1CC[N@H+](CCCN)C1 108297443 486922338 /nfs/dbraw/zinc/92/23/38/486922338.db2.gz GFPHHZWAYNRDBE-JTQLQIEISA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)(C)[C@H]1CC[N@@H+](CCCN)C1 108297443 486922340 /nfs/dbraw/zinc/92/23/40/486922340.db2.gz GFPHHZWAYNRDBE-JTQLQIEISA-N 1 3 184.327 1.703 20 0 ADADHO CC[C@@H]1CC[N@H+](CCCN)C1 108283815 486922413 /nfs/dbraw/zinc/92/24/13/486922413.db2.gz YGECCMOEQJCUBZ-SECBINFHSA-N 1 3 156.273 1.067 20 0 ADADHO CC[C@@H]1CC[N@@H+](CCCN)C1 108283815 486922414 /nfs/dbraw/zinc/92/24/14/486922414.db2.gz YGECCMOEQJCUBZ-SECBINFHSA-N 1 3 156.273 1.067 20 0 ADADHO CC(C)(C)[C@@H]1CCC[N@@H+]1CCCN 108297452 486922519 /nfs/dbraw/zinc/92/25/19/486922519.db2.gz JHWWPFIGEDNJND-JTQLQIEISA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)(C)[C@@H]1CCC[N@H+]1CCCN 108297452 486922522 /nfs/dbraw/zinc/92/25/22/486922522.db2.gz JHWWPFIGEDNJND-JTQLQIEISA-N 1 3 184.327 1.846 20 0 ADADHO CC[C@H]1CC[N@H+](CCCN)C1 108283818 486922639 /nfs/dbraw/zinc/92/26/39/486922639.db2.gz YGECCMOEQJCUBZ-VIFPVBQESA-N 1 3 156.273 1.067 20 0 ADADHO CC[C@H]1CC[N@@H+](CCCN)C1 108283818 486922643 /nfs/dbraw/zinc/92/26/43/486922643.db2.gz YGECCMOEQJCUBZ-VIFPVBQESA-N 1 3 156.273 1.067 20 0 ADADHO CC(C)[C@H]1CCCC[N@@H+]1CCCN 108297448 486922696 /nfs/dbraw/zinc/92/26/96/486922696.db2.gz KSBFJHARKOZRSD-LLVKDONJSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)[C@H]1CCCC[N@H+]1CCCN 108297448 486922701 /nfs/dbraw/zinc/92/27/01/486922701.db2.gz KSBFJHARKOZRSD-LLVKDONJSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)(C)[C@H]1CCC[N@@H+]1CCCN 108297456 486922751 /nfs/dbraw/zinc/92/27/51/486922751.db2.gz JHWWPFIGEDNJND-SNVBAGLBSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)(C)[C@H]1CCC[N@H+]1CCCN 108297456 486922756 /nfs/dbraw/zinc/92/27/56/486922756.db2.gz JHWWPFIGEDNJND-SNVBAGLBSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)C1CCN(CCC[NH3+])CC1 108297434 486922865 /nfs/dbraw/zinc/92/28/65/486922865.db2.gz CTHZLVWZFYPPIL-UHFFFAOYSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)C1CC[NH+](CCCN)CC1 108297434 486922868 /nfs/dbraw/zinc/92/28/68/486922868.db2.gz CTHZLVWZFYPPIL-UHFFFAOYSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)CCC[N@H+](C)CCCN 116324022 486926675 /nfs/dbraw/zinc/92/66/75/486926675.db2.gz LPJOROUCWXKJJR-UHFFFAOYSA-N 1 3 172.316 1.703 20 0 ADADHO CC(C)CCC[N@@H+](C)CCCN 116324022 486926678 /nfs/dbraw/zinc/92/66/78/486926678.db2.gz LPJOROUCWXKJJR-UHFFFAOYSA-N 1 3 172.316 1.703 20 0 ADADHO CC(C)CCCN(C)CCC[NH3+] 116324022 486926683 /nfs/dbraw/zinc/92/66/83/486926683.db2.gz LPJOROUCWXKJJR-UHFFFAOYSA-N 1 3 172.316 1.703 20 0 ADADHO CCCCC[N@@H+]1C[C@@H](CN)C[C@@H]1C 122335655 486932184 /nfs/dbraw/zinc/93/21/84/486932184.db2.gz ILPFTGVKDDKZSK-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@H+]1C[C@@H](CN)C[C@@H]1C 122335655 486932189 /nfs/dbraw/zinc/93/21/89/486932189.db2.gz ILPFTGVKDDKZSK-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CC[C@H](C)C[N@@H+]1C[C@H](CN)C[C@@H]1C 122330373 486932363 /nfs/dbraw/zinc/93/23/63/486932363.db2.gz JMLRZNLLJORRML-DCAQKATOSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@H+]1C[C@H](CN)C[C@@H]1C 122330373 486932366 /nfs/dbraw/zinc/93/23/66/486932366.db2.gz JMLRZNLLJORRML-DCAQKATOSA-N 1 3 184.327 1.702 20 0 ADADHO CCCCC[N@@H+]1C[C@H](CN)C[C@@H]1C 122335431 486932830 /nfs/dbraw/zinc/93/28/30/486932830.db2.gz ILPFTGVKDDKZSK-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@H+]1C[C@H](CN)C[C@@H]1C 122335431 486932833 /nfs/dbraw/zinc/93/28/33/486932833.db2.gz ILPFTGVKDDKZSK-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CNCCC[NH+]1C[C@@H]2CCC[C@H]2C1 122484635 486933462 /nfs/dbraw/zinc/93/34/62/486933462.db2.gz RTANQUGDEIOFOI-QWRGUYRKSA-N 1 3 182.311 1.328 20 0 ADADHO CNCCC[N@H+]1C[C@H]2CCC[C@H]2C1 122484233 486933927 /nfs/dbraw/zinc/93/39/27/486933927.db2.gz RTANQUGDEIOFOI-PHIMTYICSA-N 1 3 182.311 1.328 20 0 ADADHO CNCCC[N@@H+]1C[C@H]2CCC[C@H]2C1 122484233 486933930 /nfs/dbraw/zinc/93/39/30/486933930.db2.gz RTANQUGDEIOFOI-PHIMTYICSA-N 1 3 182.311 1.328 20 0 ADADHO CNCCC[NH+]1C[C@H]2CCC[C@@H]2C1 122484414 486933953 /nfs/dbraw/zinc/93/39/53/486933953.db2.gz RTANQUGDEIOFOI-GHMZBOCLSA-N 1 3 182.311 1.328 20 0 ADADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 134535369 486941469 /nfs/dbraw/zinc/94/14/69/486941469.db2.gz NNBURUSNJXVKQH-MMWGEVLESA-N 1 3 198.310 1.023 20 0 ADADHO C[C@H](Cc1cccs1)[NH2+]CCCN 135277999 486942230 /nfs/dbraw/zinc/94/22/30/486942230.db2.gz UFZPMVBKOCRSNH-SECBINFHSA-N 1 3 198.335 1.618 20 0 ADADHO C[C@H](Cc1cccs1)NCCC[NH3+] 135277999 486942237 /nfs/dbraw/zinc/94/22/37/486942237.db2.gz UFZPMVBKOCRSNH-SECBINFHSA-N 1 3 198.335 1.618 20 0 ADADHO C[C@@H](Cc1cccs1)NCCC[NH3+] 135277980 486942498 /nfs/dbraw/zinc/94/24/98/486942498.db2.gz UFZPMVBKOCRSNH-VIFPVBQESA-N 1 3 198.335 1.618 20 0 ADADHO C[C@@H](Cc1cccs1)[NH2+]CCCN 135277980 486942496 /nfs/dbraw/zinc/94/24/96/486942496.db2.gz UFZPMVBKOCRSNH-VIFPVBQESA-N 1 3 198.335 1.618 20 0 ADADHO Cc1ccccc1CC[NH2+]CCCN 135310302 486942668 /nfs/dbraw/zinc/94/26/68/486942668.db2.gz CYDDRVVFIYKOBP-UHFFFAOYSA-N 1 3 192.306 1.476 20 0 ADADHO Cc1ccccc1CCNCCC[NH3+] 135310302 486942674 /nfs/dbraw/zinc/94/26/74/486942674.db2.gz CYDDRVVFIYKOBP-UHFFFAOYSA-N 1 3 192.306 1.476 20 0 ADADHO [NH3+]CCCNCCc1ccccc1F 135257514 486943028 /nfs/dbraw/zinc/94/30/28/486943028.db2.gz ADJWGSCGGUMPCC-UHFFFAOYSA-N 1 3 196.269 1.307 20 0 ADADHO NCCC[NH2+]CCc1ccccc1F 135257514 486943031 /nfs/dbraw/zinc/94/30/31/486943031.db2.gz ADJWGSCGGUMPCC-UHFFFAOYSA-N 1 3 196.269 1.307 20 0 ADADHO C[C@@H](CCN)[NH2+]CC(C)(C)C 136134103 486945800 /nfs/dbraw/zinc/94/58/00/486945800.db2.gz FWOSCARNLRUBMW-QMMMGPOBSA-N 1 3 158.289 1.359 20 0 ADADHO C[C@H](CCN)[NH2+]CC(C)(C)C 136134130 486946013 /nfs/dbraw/zinc/94/60/13/486946013.db2.gz FWOSCARNLRUBMW-MRVPVSSYSA-N 1 3 158.289 1.359 20 0 ADADHO CC(C)C[NH2+][C@H](C)C[C@H](C)N 140751705 486947549 /nfs/dbraw/zinc/94/75/49/486947549.db2.gz YPYQUNVSORNKMP-DTWKUNHWSA-N 1 3 158.289 1.358 20 0 ADADHO CC(C)C[NH2+][C@H](C)C[C@@H](C)N 140751361 486947821 /nfs/dbraw/zinc/94/78/21/486947821.db2.gz YPYQUNVSORNKMP-RKDXNWHRSA-N 1 3 158.289 1.358 20 0 ADADHO CC(C)C[NH2+][C@@H](C)C[C@H](C)N 140751543 486947830 /nfs/dbraw/zinc/94/78/30/486947830.db2.gz YPYQUNVSORNKMP-IUCAKERBSA-N 1 3 158.289 1.358 20 0 ADADHO CC(C)C[NH2+][C@@H](C)C[C@@H](C)N 140751178 486947963 /nfs/dbraw/zinc/94/79/63/486947963.db2.gz YPYQUNVSORNKMP-BDAKNGLRSA-N 1 3 158.289 1.358 20 0 ADADHO CC[C@@H](C)[C@H](C)NCC[NH2+]C 144521880 486950196 /nfs/dbraw/zinc/95/01/96/486950196.db2.gz SDGMQXRHQYBRNH-BDAKNGLRSA-N 1 3 158.289 1.230 20 0 ADADHO CC[C@@H](C)[C@@H](C)NCC[NH2+]C 144521507 486950335 /nfs/dbraw/zinc/95/03/35/486950335.db2.gz SDGMQXRHQYBRNH-RKDXNWHRSA-N 1 3 158.289 1.230 20 0 ADADHO CC[C@H](C)[C@H](C)NCC[NH2+]C 144522077 486950587 /nfs/dbraw/zinc/95/05/87/486950587.db2.gz SDGMQXRHQYBRNH-IUCAKERBSA-N 1 3 158.289 1.230 20 0 ADADHO CC[C@H](C)[C@@H](C)NCC[NH2+]C 144521698 486950657 /nfs/dbraw/zinc/95/06/57/486950657.db2.gz SDGMQXRHQYBRNH-DTWKUNHWSA-N 1 3 158.289 1.230 20 0 ADADHO CN1CCC[C@H]1CC[N@H+]1CC=CCC1 679321624 486958405 /nfs/dbraw/zinc/95/84/05/486958405.db2.gz LGJHXGBKBHZNLP-LBPRGKRZSA-N 1 3 194.322 1.733 20 0 ADADHO CN1CCC[C@H]1CC[N@@H+]1CC=CCC1 679321624 486958411 /nfs/dbraw/zinc/95/84/11/486958411.db2.gz LGJHXGBKBHZNLP-LBPRGKRZSA-N 1 3 194.322 1.733 20 0 ADADHO CN1CCC[C@@H]1CC[N@H+]1CC=CCC1 679321623 486959130 /nfs/dbraw/zinc/95/91/30/486959130.db2.gz LGJHXGBKBHZNLP-GFCCVEGCSA-N 1 3 194.322 1.733 20 0 ADADHO CN1CCC[C@@H]1CC[N@@H+]1CC=CCC1 679321623 486959135 /nfs/dbraw/zinc/95/91/35/486959135.db2.gz LGJHXGBKBHZNLP-GFCCVEGCSA-N 1 3 194.322 1.733 20 0 ADADHO CCC(CC)C[N@H+]1CC[C@@H](NC)C1 150051634 486960725 /nfs/dbraw/zinc/96/07/25/486960725.db2.gz NICQDLNWZUGRLA-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CCC(CC)C[N@@H+]1CC[C@@H](NC)C1 150051634 486960719 /nfs/dbraw/zinc/96/07/19/486960719.db2.gz NICQDLNWZUGRLA-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CCC(CC)C[N@@H+]1CC[C@H](NC)C1 150051436 486961072 /nfs/dbraw/zinc/96/10/72/486961072.db2.gz NICQDLNWZUGRLA-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO CCC(CC)C[N@H+]1CC[C@H](NC)C1 150051436 486961079 /nfs/dbraw/zinc/96/10/79/486961079.db2.gz NICQDLNWZUGRLA-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO C[C@@H]([NH3+])[C@H]1CCN(CCCF)C1 157390291 486963322 /nfs/dbraw/zinc/96/33/22/486963322.db2.gz KGBWYCOWDPONAZ-BDAKNGLRSA-N 1 3 174.263 1.015 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCC1CC1 156875113 486963449 /nfs/dbraw/zinc/96/34/49/486963449.db2.gz FWCAJCSZTUJEAE-RYUDHWBXSA-N 1 3 196.338 1.894 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCC1CC1 156874824 486963463 /nfs/dbraw/zinc/96/34/63/486963463.db2.gz FWCAJCSZTUJEAE-NWDGAFQWSA-N 1 3 196.338 1.894 20 0 ADADHO C[C@H](Cc1ccc(F)cc1)NCC[NH3+] 157228700 486963982 /nfs/dbraw/zinc/96/39/82/486963982.db2.gz MKDXSEGTHMPSNH-SECBINFHSA-N 1 3 196.269 1.305 20 0 ADADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCC1CC1 156874963 486964025 /nfs/dbraw/zinc/96/40/25/486964025.db2.gz FWCAJCSZTUJEAE-NEPJUHHUSA-N 1 3 196.338 1.894 20 0 ADADHO NC[C@H]1CCC[C@H]1[NH2+]CCCC1CC1 156874671 486964070 /nfs/dbraw/zinc/96/40/70/486964070.db2.gz FWCAJCSZTUJEAE-VXGBXAGGSA-N 1 3 196.338 1.894 20 0 ADADHO C[C@H]([NH3+])[C@@H]1CCN(CCCF)C1 157389827 486964162 /nfs/dbraw/zinc/96/41/62/486964162.db2.gz KGBWYCOWDPONAZ-DTWKUNHWSA-N 1 3 174.263 1.015 20 0 ADADHO C[C@@H](Cc1ccc(F)cc1)NCC[NH3+] 157228555 486964182 /nfs/dbraw/zinc/96/41/82/486964182.db2.gz MKDXSEGTHMPSNH-VIFPVBQESA-N 1 3 196.269 1.305 20 0 ADADHO C[C@H]([NH3+])[C@H]1CCN(CCCF)C1 157390137 486964191 /nfs/dbraw/zinc/96/41/91/486964191.db2.gz KGBWYCOWDPONAZ-IUCAKERBSA-N 1 3 174.263 1.015 20 0 ADADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCF)C1 157389967 486964217 /nfs/dbraw/zinc/96/42/17/486964217.db2.gz KGBWYCOWDPONAZ-RKDXNWHRSA-N 1 3 174.263 1.015 20 0 ADADHO Cc1cccc(CC[NH2+]CCCN)c1 158558988 486970892 /nfs/dbraw/zinc/97/08/92/486970892.db2.gz RWKTWYGYRFPSKU-UHFFFAOYSA-N 1 3 192.306 1.476 20 0 ADADHO Cc1cccc(CCNCCC[NH3+])c1 158558988 486970897 /nfs/dbraw/zinc/97/08/97/486970897.db2.gz RWKTWYGYRFPSKU-UHFFFAOYSA-N 1 3 192.306 1.476 20 0 ADADHO C[NH2+]C[C@H](C)NCC(C)(C)C 162150664 486982977 /nfs/dbraw/zinc/98/29/77/486982977.db2.gz XIHKZPJLGQKWID-QMMMGPOBSA-N 1 3 158.289 1.230 20 0 ADADHO Cc1ccc(C[NH2+][C@H](C)CN)cc1F 162004139 486980939 /nfs/dbraw/zinc/98/09/39/486980939.db2.gz IRBGTMUWDCIJMN-SECBINFHSA-N 1 3 196.269 1.571 20 0 ADADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CN 162039654 486981011 /nfs/dbraw/zinc/98/10/11/486981011.db2.gz TZJWOAWUOIOMRI-SECBINFHSA-N 1 3 196.269 1.571 20 0 ADADHO CC[C@@H](C)CN[C@@H](C)C[NH2+]C 162104106 486981278 /nfs/dbraw/zinc/98/12/78/486981278.db2.gz OMGRXSAFJGGKCX-BDAKNGLRSA-N 1 3 158.289 1.230 20 0 ADADHO C[NH2+]C[C@@H](C)NCC1CCCCC1 162110253 486982101 /nfs/dbraw/zinc/98/21/01/486982101.db2.gz UFIIKQVLQHTWTJ-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]C[C@@H](C)NCCC(C)(C)C 162108626 486982501 /nfs/dbraw/zinc/98/25/01/486982501.db2.gz PMVBFZAFNGCGTF-SECBINFHSA-N 1 3 172.316 1.620 20 0 ADADHO C[NH2+]C[C@H](C)NCC1CCCCC1 162110139 486982586 /nfs/dbraw/zinc/98/25/86/486982586.db2.gz UFIIKQVLQHTWTJ-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@H](C)CN[C@H](C)C[NH2+]C 162104466 486982685 /nfs/dbraw/zinc/98/26/85/486982685.db2.gz OMGRXSAFJGGKCX-DTWKUNHWSA-N 1 3 158.289 1.230 20 0 ADADHO C[NH2+]C[C@H](C)NCCC(C)(C)C 162108504 486982709 /nfs/dbraw/zinc/98/27/09/486982709.db2.gz PMVBFZAFNGCGTF-VIFPVBQESA-N 1 3 172.316 1.620 20 0 ADADHO CC[C@@H](C)CN[C@H](C)C[NH2+]C 162104342 486982725 /nfs/dbraw/zinc/98/27/25/486982725.db2.gz OMGRXSAFJGGKCX-RKDXNWHRSA-N 1 3 158.289 1.230 20 0 ADADHO C[NH2+]C[C@@H](C)NCC(C)(C)C 162150788 486982661 /nfs/dbraw/zinc/98/26/61/486982661.db2.gz XIHKZPJLGQKWID-MRVPVSSYSA-N 1 3 158.289 1.230 20 0 ADADHO C[NH2+]C[C@@H](C)NCCCC(C)C 162181481 486982852 /nfs/dbraw/zinc/98/28/52/486982852.db2.gz CHDQDTALTGFJGW-SNVBAGLBSA-N 1 3 172.316 1.620 20 0 ADADHO CC[C@H](C)CN[C@@H](C)C[NH2+]C 162104216 486982897 /nfs/dbraw/zinc/98/28/97/486982897.db2.gz OMGRXSAFJGGKCX-IUCAKERBSA-N 1 3 158.289 1.230 20 0 ADADHO C[NH2+]C[C@H](C)NCCCC(C)C 162181399 486982914 /nfs/dbraw/zinc/98/29/14/486982914.db2.gz CHDQDTALTGFJGW-JTQLQIEISA-N 1 3 172.316 1.620 20 0 ADADHO CCC(CC)CN[C@@H](C)C[NH2+]C 162109205 486983046 /nfs/dbraw/zinc/98/30/46/486983046.db2.gz WGBOPNSKGKPZTI-VIFPVBQESA-N 1 3 172.316 1.620 20 0 ADADHO CCC(CC)CN[C@H](C)C[NH2+]C 162109285 486983162 /nfs/dbraw/zinc/98/31/62/486983162.db2.gz WGBOPNSKGKPZTI-SECBINFHSA-N 1 3 172.316 1.620 20 0 ADADHO C[C@H](C[NH2+][C@H]1CCNC1)C(C)(C)C 162598620 486984032 /nfs/dbraw/zinc/98/40/32/486984032.db2.gz IPPFAWLIHKEAFN-ZJUUUORDSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@@H](C[NH2+][C@H]1CCNC1)C(C)(C)C 162598509 486984060 /nfs/dbraw/zinc/98/40/60/486984060.db2.gz IPPFAWLIHKEAFN-UWVGGRQHSA-N 1 3 184.327 1.620 20 0 ADADHO CC[NH2+]CCNC[C@H](C)C(C)(C)C 162979833 486984750 /nfs/dbraw/zinc/98/47/50/486984750.db2.gz IROIJUJZFDUTNR-JTQLQIEISA-N 1 3 186.343 1.868 20 0 ADADHO CNCCC[NH2+]C[C@@H](C)C(C)(C)C 162952655 486984760 /nfs/dbraw/zinc/98/47/60/486984760.db2.gz VIRRHSDBBKIPFL-SNVBAGLBSA-N 1 3 186.343 1.868 20 0 ADADHO C[C@@H](CN)C[NH2+]C[C@H](C)C(C)(C)C 162980879 486984838 /nfs/dbraw/zinc/98/48/38/486984838.db2.gz FURQPTPKVFKLPF-UWVGGRQHSA-N 1 3 186.343 1.853 20 0 ADADHO C[C@H](CN)C[NH2+]C[C@H](C)C(C)(C)C 162980967 486984846 /nfs/dbraw/zinc/98/48/46/486984846.db2.gz FURQPTPKVFKLPF-ZJUUUORDSA-N 1 3 186.343 1.853 20 0 ADADHO CNCCC[NH2+]C[C@H](C)C(C)(C)C 162952560 486985033 /nfs/dbraw/zinc/98/50/33/486985033.db2.gz VIRRHSDBBKIPFL-JTQLQIEISA-N 1 3 186.343 1.868 20 0 ADADHO CCC(C)(C)C[NH2+]CCCN 163284732 486985060 /nfs/dbraw/zinc/98/50/60/486985060.db2.gz NEAQITMSTSWSGF-UHFFFAOYSA-N 1 3 158.289 1.361 20 0 ADADHO C[C@@H](CN)C[NH2+]C[C@@H](C)C(C)(C)C 162980707 486985328 /nfs/dbraw/zinc/98/53/28/486985328.db2.gz FURQPTPKVFKLPF-VHSXEESVSA-N 1 3 186.343 1.853 20 0 ADADHO CC[NH2+]CCNC[C@@H](C)C(C)(C)C 162979724 486985426 /nfs/dbraw/zinc/98/54/26/486985426.db2.gz IROIJUJZFDUTNR-SNVBAGLBSA-N 1 3 186.343 1.868 20 0 ADADHO C[C@@H](C[N@@H+]1CC[C@H](CN)C1)C(C)(C)C 162991048 486985487 /nfs/dbraw/zinc/98/54/87/486985487.db2.gz ZFYXQTUTZIMOIK-WDEREUQCSA-N 1 3 198.354 1.949 20 0 ADADHO C[C@@H](C[N@H+]1CC[C@H](CN)C1)C(C)(C)C 162991048 486985492 /nfs/dbraw/zinc/98/54/92/486985492.db2.gz ZFYXQTUTZIMOIK-WDEREUQCSA-N 1 3 198.354 1.949 20 0 ADADHO C[C@H](C[N@@H+]1CC[C@H](CN)C1)C(C)(C)C 162991164 486985510 /nfs/dbraw/zinc/98/55/10/486985510.db2.gz ZFYXQTUTZIMOIK-GHMZBOCLSA-N 1 3 198.354 1.949 20 0 ADADHO C[C@H](C[N@H+]1CC[C@H](CN)C1)C(C)(C)C 162991164 486985516 /nfs/dbraw/zinc/98/55/16/486985516.db2.gz ZFYXQTUTZIMOIK-GHMZBOCLSA-N 1 3 198.354 1.949 20 0 ADADHO C[NH2+]CCNC[C@H](C)C(C)(C)C 162990821 486985578 /nfs/dbraw/zinc/98/55/78/486985578.db2.gz NKNBLKTXEHMHGR-VIFPVBQESA-N 1 3 172.316 1.478 20 0 ADADHO C[C@H](C[NH2+]C[C@H](C)CN)C(C)(C)C 162980815 486985651 /nfs/dbraw/zinc/98/56/51/486985651.db2.gz FURQPTPKVFKLPF-NXEZZACHSA-N 1 3 186.343 1.853 20 0 ADADHO C[NH2+]CCNC[C@@H](C)C(C)(C)C 162990930 486985667 /nfs/dbraw/zinc/98/56/67/486985667.db2.gz NKNBLKTXEHMHGR-SECBINFHSA-N 1 3 172.316 1.478 20 0 ADADHO CC(C)CCCN1C[C@@H]2C[NH2+]C[C@@H]2C1 165548436 486992008 /nfs/dbraw/zinc/99/20/08/486992008.db2.gz KBSGTOFNMBHTSA-TXEJJXNPSA-N 1 3 196.338 1.574 20 0 ADADHO C[NH2+]CCCN(C)CCCC(C)C 165552519 486992067 /nfs/dbraw/zinc/99/20/67/486992067.db2.gz CBWRIOJYPVVSIG-UHFFFAOYSA-N 1 3 186.343 1.964 20 0 ADADHO CNCCC[N@H+](C)CCCC(C)C 165552519 486992074 /nfs/dbraw/zinc/99/20/74/486992074.db2.gz CBWRIOJYPVVSIG-UHFFFAOYSA-N 1 3 186.343 1.964 20 0 ADADHO CNCCC[N@@H+](C)CCCC(C)C 165552519 486992078 /nfs/dbraw/zinc/99/20/78/486992078.db2.gz CBWRIOJYPVVSIG-UHFFFAOYSA-N 1 3 186.343 1.964 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1CN 166777723 486995132 /nfs/dbraw/zinc/99/51/32/486995132.db2.gz AQJMVYJSBZYWKK-DDHJBXDOSA-N 1 3 196.338 1.750 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCCNC1 166846023 486995822 /nfs/dbraw/zinc/99/58/22/486995822.db2.gz SKWODSXNPBXRTF-MXWKQRLJSA-N 1 3 182.311 1.232 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CN 166793185 486995918 /nfs/dbraw/zinc/99/59/18/486995918.db2.gz MPLLRBLHAIIZHU-GWOFURMSSA-N 1 3 182.311 1.359 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H](N)C1 166780890 486996224 /nfs/dbraw/zinc/99/62/24/486996224.db2.gz MEWXLLQSWWPHSO-CHWFTXMASA-N 1 3 182.311 1.502 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCNC1 166845807 486996452 /nfs/dbraw/zinc/99/64/52/486996452.db2.gz SKWODSXNPBXRTF-GMTAPVOTSA-N 1 3 182.311 1.232 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCNCC1 166811650 486996574 /nfs/dbraw/zinc/99/65/74/486996574.db2.gz JQDBGNJGGORQIX-OUAUKWLOSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCNCC1 166811439 486996640 /nfs/dbraw/zinc/99/66/40/486996640.db2.gz JQDBGNJGGORQIX-GMTAPVOTSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1C[C@H]1CNC[C@@H]1CCCC[NH2+]1 167542782 487000455 /nfs/dbraw/zinc/00/04/55/487000455.db2.gz WDJIAVGDVCMIHG-VWYCJHECSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+]C[C@]1(C)CCCNC1 167519895 487000465 /nfs/dbraw/zinc/00/04/65/487000465.db2.gz LMSMQHIBVLQYJP-GRYCIOLGSA-N 1 3 196.338 1.622 20 0 ADADHO C[C@@H]1C[C@@H]1CNC[C@@H]1CCCC[NH2+]1 167542593 487000751 /nfs/dbraw/zinc/00/07/51/487000751.db2.gz WDJIAVGDVCMIHG-MXWKQRLJSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@]1(C)CCCNC1 167519699 487000890 /nfs/dbraw/zinc/00/08/90/487000890.db2.gz LMSMQHIBVLQYJP-IJLUTSLNSA-N 1 3 196.338 1.622 20 0 ADADHO C[C@H]1C[C@H]([NH3+])CCN1CCCF 168975289 487007090 /nfs/dbraw/zinc/00/70/90/487007090.db2.gz VENQSXKQJHXCRI-DTWKUNHWSA-N 1 3 174.263 1.158 20 0 ADADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCF 168975190 487007152 /nfs/dbraw/zinc/00/71/52/487007152.db2.gz VENQSXKQJHXCRI-RKDXNWHRSA-N 1 3 174.263 1.158 20 0 ADADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCF 168975466 487007383 /nfs/dbraw/zinc/00/73/83/487007383.db2.gz VENQSXKQJHXCRI-IUCAKERBSA-N 1 3 174.263 1.158 20 0 ADADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCF 168975374 487007697 /nfs/dbraw/zinc/00/76/97/487007697.db2.gz VENQSXKQJHXCRI-BDAKNGLRSA-N 1 3 174.263 1.158 20 0 ADADHO C[C@H]1CCCN1C[C@H]1CC[NH2+]C1 201530554 487017394 /nfs/dbraw/zinc/01/73/94/487017394.db2.gz LPYNCKMTSXWOJE-UWVGGRQHSA-N 1 3 168.284 1.080 20 0 ADADHO Cc1cc(N(C)CCN(C)C)cc[nH+]1 681388318 487020053 /nfs/dbraw/zinc/02/00/53/487020053.db2.gz UUPWKXPMYQRHHV-UHFFFAOYSA-N 1 3 193.294 1.388 20 0 ADADHO CNCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 211139417 487020931 /nfs/dbraw/zinc/02/09/31/487020931.db2.gz FSSLZJMTMQHBDT-RYUDHWBXSA-N 1 3 196.338 1.860 20 0 ADADHO CNCCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 211139417 487020937 /nfs/dbraw/zinc/02/09/37/487020937.db2.gz FSSLZJMTMQHBDT-RYUDHWBXSA-N 1 3 196.338 1.860 20 0 ADADHO CCC[C@@H]1CCCC[N@@H+]1CCCN 212987322 487023564 /nfs/dbraw/zinc/02/35/64/487023564.db2.gz BZDNRZWKHNGEFP-LLVKDONJSA-N 1 3 184.327 1.990 20 0 ADADHO CCC[C@@H]1CCCC[N@H+]1CCCN 212987322 487023568 /nfs/dbraw/zinc/02/35/68/487023568.db2.gz BZDNRZWKHNGEFP-LLVKDONJSA-N 1 3 184.327 1.990 20 0 ADADHO CCC[C@H]1CCCC[N@@H+]1CCCN 212987376 487023616 /nfs/dbraw/zinc/02/36/16/487023616.db2.gz BZDNRZWKHNGEFP-NSHDSACASA-N 1 3 184.327 1.990 20 0 ADADHO CCC[C@H]1CCCC[N@H+]1CCCN 212987376 487023618 /nfs/dbraw/zinc/02/36/18/487023618.db2.gz BZDNRZWKHNGEFP-NSHDSACASA-N 1 3 184.327 1.990 20 0 ADADHO Cc1ccccc1C1([NH2+]CCN)CC1 215655358 487026856 /nfs/dbraw/zinc/02/68/56/487026856.db2.gz LWQDJLCQBVCNLK-UHFFFAOYSA-N 1 3 190.290 1.532 20 0 ADADHO CCCCCN1CCC(C)([NH3+])CC1 219133754 487029578 /nfs/dbraw/zinc/02/95/78/487029578.db2.gz GGJKHXVFILMTPT-UHFFFAOYSA-N 1 3 184.327 1.990 20 0 ADADHO C[C@H](CCN)[NH2+]CC1CCCCC1 220536894 487030226 /nfs/dbraw/zinc/03/02/26/487030226.db2.gz PANAWIRNOHVCRF-SNVBAGLBSA-N 1 3 184.327 1.894 20 0 ADADHO Cc1ccc(CN[C@H](C)CC[NH3+])s1 220536116 487030233 /nfs/dbraw/zinc/03/02/33/487030233.db2.gz JHTQJHHUAUOTIF-MRVPVSSYSA-N 1 3 198.335 1.883 20 0 ADADHO CCC(CC)C[NH2+][C@H](C)CCN 220538493 487030258 /nfs/dbraw/zinc/03/02/58/487030258.db2.gz BMICAXBWSLOXST-SECBINFHSA-N 1 3 172.316 1.750 20 0 ADADHO Cc1ccccc1CN[C@H](C)CC[NH3+] 220537204 487030280 /nfs/dbraw/zinc/03/02/80/487030280.db2.gz QQAWGDKFMRGWEJ-LLVKDONJSA-N 1 3 192.306 1.822 20 0 ADADHO CC(C)CCC[NH2+][C@H](C)CCN 220521387 487030286 /nfs/dbraw/zinc/03/02/86/487030286.db2.gz XXEIZJHJMJCITD-SNVBAGLBSA-N 1 3 172.316 1.750 20 0 ADADHO Cc1ccsc1CN[C@H](C)CC[NH3+] 220530323 487030295 /nfs/dbraw/zinc/03/02/95/487030295.db2.gz RQNGUXBGVOBMGB-SECBINFHSA-N 1 3 198.335 1.883 20 0 ADADHO Cc1ccccc1CN[C@@H](C)CC[NH3+] 220537144 487030301 /nfs/dbraw/zinc/03/03/01/487030301.db2.gz QQAWGDKFMRGWEJ-NSHDSACASA-N 1 3 192.306 1.822 20 0 ADADHO C[C@@H](CCN)[NH2+]CCC(C)(C)C 220506671 487030329 /nfs/dbraw/zinc/03/03/29/487030329.db2.gz CMWMOFJQHRSRHG-VIFPVBQESA-N 1 3 172.316 1.750 20 0 ADADHO CC(C)CCC[NH2+][C@@H](C)CCN 220521325 487030354 /nfs/dbraw/zinc/03/03/54/487030354.db2.gz XXEIZJHJMJCITD-JTQLQIEISA-N 1 3 172.316 1.750 20 0 ADADHO C[C@H](CC[NH3+])NCc1ccc(F)cc1 220486586 487030439 /nfs/dbraw/zinc/03/04/39/487030439.db2.gz RLOBJSDZUSESJV-SECBINFHSA-N 1 3 196.269 1.653 20 0 ADADHO C[C@H](CCN)[NH2+]CCC(C)(C)C 220506761 487030450 /nfs/dbraw/zinc/03/04/50/487030450.db2.gz CMWMOFJQHRSRHG-SECBINFHSA-N 1 3 172.316 1.750 20 0 ADADHO Cc1ccc(CN[C@@H](C)CC[NH3+])cc1 220486815 487030471 /nfs/dbraw/zinc/03/04/71/487030471.db2.gz YLMFHGNUIGEUPQ-NSHDSACASA-N 1 3 192.306 1.822 20 0 ADADHO Cc1ccsc1CN[C@@H](C)CC[NH3+] 220530258 487030546 /nfs/dbraw/zinc/03/05/46/487030546.db2.gz RQNGUXBGVOBMGB-VIFPVBQESA-N 1 3 198.335 1.883 20 0 ADADHO CC[C@H](C)C[NH2+][C@@H](C)CCN 220485472 487030627 /nfs/dbraw/zinc/03/06/27/487030627.db2.gz CTSRCTVADHROFE-IUCAKERBSA-N 1 3 158.289 1.359 20 0 ADADHO CC[C@H](C)C[NH2+][C@H](C)CCN 220485605 487030656 /nfs/dbraw/zinc/03/06/56/487030656.db2.gz CTSRCTVADHROFE-DTWKUNHWSA-N 1 3 158.289 1.359 20 0 ADADHO Cc1ccc(CN[C@@H](C)CC[NH3+])s1 220536059 487030698 /nfs/dbraw/zinc/03/06/98/487030698.db2.gz JHTQJHHUAUOTIF-QMMMGPOBSA-N 1 3 198.335 1.883 20 0 ADADHO CC[C@@H](C)C[NH2+][C@H](C)CCN 220485534 487030716 /nfs/dbraw/zinc/03/07/16/487030716.db2.gz CTSRCTVADHROFE-RKDXNWHRSA-N 1 3 158.289 1.359 20 0 ADADHO C[C@@H](CC[NH3+])NCc1ccc(F)cc1 220486525 487030797 /nfs/dbraw/zinc/03/07/97/487030797.db2.gz RLOBJSDZUSESJV-VIFPVBQESA-N 1 3 196.269 1.653 20 0 ADADHO Cc1cccc(CN[C@H](C)CC[NH3+])c1 220496800 487030816 /nfs/dbraw/zinc/03/08/16/487030816.db2.gz DZJVNIIMGLYZNC-LLVKDONJSA-N 1 3 192.306 1.822 20 0 ADADHO CC[C@@H](C)C[NH2+][C@@H](C)CCN 220485403 487030925 /nfs/dbraw/zinc/03/09/25/487030925.db2.gz CTSRCTVADHROFE-BDAKNGLRSA-N 1 3 158.289 1.359 20 0 ADADHO CCC(CC)C[NH2+][C@@H](C)CCN 220538422 487030998 /nfs/dbraw/zinc/03/09/98/487030998.db2.gz BMICAXBWSLOXST-VIFPVBQESA-N 1 3 172.316 1.750 20 0 ADADHO C[C@@H](CCN)[NH2+]CC1CCCCC1 220536822 487031036 /nfs/dbraw/zinc/03/10/36/487031036.db2.gz PANAWIRNOHVCRF-JTQLQIEISA-N 1 3 184.327 1.894 20 0 ADADHO Cc1cccc(CN[C@@H](C)CC[NH3+])c1 220496744 487031166 /nfs/dbraw/zinc/03/11/66/487031166.db2.gz DZJVNIIMGLYZNC-NSHDSACASA-N 1 3 192.306 1.822 20 0 ADADHO Cc1ccc(CN[C@H](C)CC[NH3+])cc1 220486887 487031194 /nfs/dbraw/zinc/03/11/94/487031194.db2.gz YLMFHGNUIGEUPQ-LLVKDONJSA-N 1 3 192.306 1.822 20 0 ADADHO CNCCC[NH2+][C@H](C)CC1CC1 221533572 487033155 /nfs/dbraw/zinc/03/31/55/487033155.db2.gz FEIAUBPUDKWZLQ-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@H](C[N@@H+]1CC[C@@H](CN)C1)C(C)(C)C 221516762 487033187 /nfs/dbraw/zinc/03/31/87/487033187.db2.gz ZFYXQTUTZIMOIK-MNOVXSKESA-N 1 3 198.354 1.949 20 0 ADADHO C[C@H](C[N@H+]1CC[C@@H](CN)C1)C(C)(C)C 221516762 487033191 /nfs/dbraw/zinc/03/31/91/487033191.db2.gz ZFYXQTUTZIMOIK-MNOVXSKESA-N 1 3 198.354 1.949 20 0 ADADHO CNCCC[NH2+][C@@H](C)CC1CC1 221533510 487033399 /nfs/dbraw/zinc/03/33/99/487033399.db2.gz FEIAUBPUDKWZLQ-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO C[C@@H](C[N@@H+]1CC[C@@H](CN)C1)C(C)(C)C 221516708 487033444 /nfs/dbraw/zinc/03/34/44/487033444.db2.gz ZFYXQTUTZIMOIK-QWRGUYRKSA-N 1 3 198.354 1.949 20 0 ADADHO C[C@@H](C[N@H+]1CC[C@@H](CN)C1)C(C)(C)C 221516708 487033446 /nfs/dbraw/zinc/03/34/46/487033446.db2.gz ZFYXQTUTZIMOIK-QWRGUYRKSA-N 1 3 198.354 1.949 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@@H](CN)C1 224205544 487038045 /nfs/dbraw/zinc/03/80/45/487038045.db2.gz ZMTJTDGBFDHKFA-UWVGGRQHSA-N 1 3 170.300 1.313 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@@H](CN)C1 224205544 487038051 /nfs/dbraw/zinc/03/80/51/487038051.db2.gz ZMTJTDGBFDHKFA-UWVGGRQHSA-N 1 3 170.300 1.313 20 0 ADADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](CN)C1 224205487 487038948 /nfs/dbraw/zinc/03/89/48/487038948.db2.gz ZMTJTDGBFDHKFA-ZJUUUORDSA-N 1 3 170.300 1.313 20 0 ADADHO CC[C@@H](C)C[N@H+]1CC[C@@H](CN)C1 224205487 487038951 /nfs/dbraw/zinc/03/89/51/487038951.db2.gz ZMTJTDGBFDHKFA-ZJUUUORDSA-N 1 3 170.300 1.313 20 0 ADADHO CN(CCC[NH3+])C[C@@H]1CCSC1 224622163 487040535 /nfs/dbraw/zinc/04/05/35/487040535.db2.gz LRHFZJIFQVMKHY-VIFPVBQESA-N 1 3 188.340 1.020 20 0 ADADHO C[N@H+](CCCN)C[C@@H]1CCSC1 224622163 487040541 /nfs/dbraw/zinc/04/05/41/487040541.db2.gz LRHFZJIFQVMKHY-VIFPVBQESA-N 1 3 188.340 1.020 20 0 ADADHO C[N@@H+](CCCN)C[C@@H]1CCSC1 224622163 487040544 /nfs/dbraw/zinc/04/05/44/487040544.db2.gz LRHFZJIFQVMKHY-VIFPVBQESA-N 1 3 188.340 1.020 20 0 ADADHO CNCCC[N@H+]1CCC[C@@H](C)[C@@H]1C 224716051 487041096 /nfs/dbraw/zinc/04/10/96/487041096.db2.gz CPFYSOWKGWFGJI-MNOVXSKESA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@@H+]1CCC[C@H](C)[C@@H]1C 224716096 487040888 /nfs/dbraw/zinc/04/08/88/487040888.db2.gz CPFYSOWKGWFGJI-QWRGUYRKSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@H+]1CCC[C@H](C)[C@@H]1C 224716096 487040891 /nfs/dbraw/zinc/04/08/91/487040891.db2.gz CPFYSOWKGWFGJI-QWRGUYRKSA-N 1 3 184.327 1.716 20 0 ADADHO CN(CCC[NH3+])C[C@H]1CCSC1 224622204 487041052 /nfs/dbraw/zinc/04/10/52/487041052.db2.gz LRHFZJIFQVMKHY-SECBINFHSA-N 1 3 188.340 1.020 20 0 ADADHO C[N@H+](CCCN)C[C@H]1CCSC1 224622204 487041053 /nfs/dbraw/zinc/04/10/53/487041053.db2.gz LRHFZJIFQVMKHY-SECBINFHSA-N 1 3 188.340 1.020 20 0 ADADHO C[N@@H+](CCCN)C[C@H]1CCSC1 224622204 487041054 /nfs/dbraw/zinc/04/10/54/487041054.db2.gz LRHFZJIFQVMKHY-SECBINFHSA-N 1 3 188.340 1.020 20 0 ADADHO CNCCC[N@@H+]1CCC[C@@H](C)[C@@H]1C 224716051 487041094 /nfs/dbraw/zinc/04/10/94/487041094.db2.gz CPFYSOWKGWFGJI-MNOVXSKESA-N 1 3 184.327 1.716 20 0 ADADHO CCCC[N@@H+]1CC[C@@H](N)[C@@H](CC)C1 226013062 487045368 /nfs/dbraw/zinc/04/53/68/487045368.db2.gz OUVJYMWCEHKUPE-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CCCC[N@H+]1CC[C@@H](N)[C@@H](CC)C1 226013062 487045373 /nfs/dbraw/zinc/04/53/73/487045373.db2.gz OUVJYMWCEHKUPE-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCN1CC[C@@H]([NH3+])[C@@H](CC)C1 226013062 487045380 /nfs/dbraw/zinc/04/53/80/487045380.db2.gz OUVJYMWCEHKUPE-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CCCC[N@@H+]1CC[C@H](N)[C@@H](CC)C1 226013076 487045697 /nfs/dbraw/zinc/04/56/97/487045697.db2.gz OUVJYMWCEHKUPE-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CCCC[N@H+]1CC[C@H](N)[C@@H](CC)C1 226013076 487045700 /nfs/dbraw/zinc/04/57/00/487045700.db2.gz OUVJYMWCEHKUPE-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCN1CC[C@H]([NH3+])[C@@H](CC)C1 226013076 487045703 /nfs/dbraw/zinc/04/57/03/487045703.db2.gz OUVJYMWCEHKUPE-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CCC[N@@H+]1CC[C@@H](N)[C@@H](CC)C1 226015644 487045786 /nfs/dbraw/zinc/04/57/86/487045786.db2.gz WVWDQIGKUMKKJG-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@H+]1CC[C@@H](N)[C@@H](CC)C1 226015644 487045791 /nfs/dbraw/zinc/04/57/91/487045791.db2.gz WVWDQIGKUMKKJG-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CCCN1CC[C@@H]([NH3+])[C@@H](CC)C1 226015644 487045796 /nfs/dbraw/zinc/04/57/96/487045796.db2.gz WVWDQIGKUMKKJG-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@@H+]1CC[C@H](N)[C@@H](CC)C1 226015659 487045870 /nfs/dbraw/zinc/04/58/70/487045870.db2.gz WVWDQIGKUMKKJG-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@H+]1CC[C@H](N)[C@@H](CC)C1 226015659 487045874 /nfs/dbraw/zinc/04/58/74/487045874.db2.gz WVWDQIGKUMKKJG-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCN1CC[C@H]([NH3+])[C@@H](CC)C1 226015659 487045878 /nfs/dbraw/zinc/04/58/78/487045878.db2.gz WVWDQIGKUMKKJG-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)[N@H+](C[C@H]1CCCNC1)C1CC1 226436257 487051402 /nfs/dbraw/zinc/05/14/02/487051402.db2.gz FUZBSYGGVDLBOQ-NSHDSACASA-N 1 3 196.338 1.859 20 0 ADADHO CC(C)[N@@H+](C[C@H]1CCCNC1)C1CC1 226436257 487051407 /nfs/dbraw/zinc/05/14/07/487051407.db2.gz FUZBSYGGVDLBOQ-NSHDSACASA-N 1 3 196.338 1.859 20 0 ADADHO CC(C)N(C[C@H]1CCC[NH2+]C1)C1CC1 226436257 487051413 /nfs/dbraw/zinc/05/14/13/487051413.db2.gz FUZBSYGGVDLBOQ-NSHDSACASA-N 1 3 196.338 1.859 20 0 ADADHO CC(C)[N@H+](C[C@@H]1CCCNC1)C1CC1 226436252 487051788 /nfs/dbraw/zinc/05/17/88/487051788.db2.gz FUZBSYGGVDLBOQ-LLVKDONJSA-N 1 3 196.338 1.859 20 0 ADADHO CC(C)[N@@H+](C[C@@H]1CCCNC1)C1CC1 226436252 487051790 /nfs/dbraw/zinc/05/17/90/487051790.db2.gz FUZBSYGGVDLBOQ-LLVKDONJSA-N 1 3 196.338 1.859 20 0 ADADHO CC(C)N(C[C@@H]1CCC[NH2+]C1)C1CC1 226436252 487051794 /nfs/dbraw/zinc/05/17/94/487051794.db2.gz FUZBSYGGVDLBOQ-LLVKDONJSA-N 1 3 196.338 1.859 20 0 ADADHO C[C@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCNC1 226441046 487052451 /nfs/dbraw/zinc/05/24/51/487052451.db2.gz ZKVWULVLUGKKST-WRWGMCAJSA-N 1 3 196.338 1.763 20 0 ADADHO CC[N@H+](C[C@@H]1CCCNC1)C1CCC1 226438807 487052502 /nfs/dbraw/zinc/05/25/02/487052502.db2.gz JKLKDTVTFMUYNW-LLVKDONJSA-N 1 3 196.338 1.860 20 0 ADADHO CC[N@@H+](C[C@@H]1CCCNC1)C1CCC1 226438807 487052504 /nfs/dbraw/zinc/05/25/04/487052504.db2.gz JKLKDTVTFMUYNW-LLVKDONJSA-N 1 3 196.338 1.860 20 0 ADADHO C[C@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCNC1 226441051 487052587 /nfs/dbraw/zinc/05/25/87/487052587.db2.gz ZKVWULVLUGKKST-KXNHARMFSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](C)[N@@H+]1CC[C@@H](CNC)C1 226628927 487052624 /nfs/dbraw/zinc/05/26/24/487052624.db2.gz OGGVKEPFCSHHDO-UWVGGRQHSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@H](C)[N@H+]1CC[C@@H](CNC)C1 226628927 487052625 /nfs/dbraw/zinc/05/26/25/487052625.db2.gz OGGVKEPFCSHHDO-UWVGGRQHSA-N 1 3 170.300 1.326 20 0 ADADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 226441266 487052796 /nfs/dbraw/zinc/05/27/96/487052796.db2.gz NNBURUSNJXVKQH-ZDCRXTMVSA-N 1 3 198.310 1.023 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@@H]([C@@H](C)N)C1 226541201 487052832 /nfs/dbraw/zinc/05/28/32/487052832.db2.gz XVSXDGYOQUOTRW-HBNTYKKESA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@@H]([C@@H](C)N)C1 226541201 487052835 /nfs/dbraw/zinc/05/28/35/487052835.db2.gz XVSXDGYOQUOTRW-HBNTYKKESA-N 1 3 184.327 1.702 20 0 ADADHO CC[N@H+](C[C@H]1CCCNC1)C1CCC1 226438813 487052863 /nfs/dbraw/zinc/05/28/63/487052863.db2.gz JKLKDTVTFMUYNW-NSHDSACASA-N 1 3 196.338 1.860 20 0 ADADHO CC[N@@H+](C[C@H]1CCCNC1)C1CCC1 226438813 487052865 /nfs/dbraw/zinc/05/28/65/487052865.db2.gz JKLKDTVTFMUYNW-NSHDSACASA-N 1 3 196.338 1.860 20 0 ADADHO CC[C@@H](C)[N@@H+]1CC[C@@H](CNC)C1 226628921 487052927 /nfs/dbraw/zinc/05/29/27/487052927.db2.gz OGGVKEPFCSHHDO-ZJUUUORDSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@@H](C)[N@H+]1CC[C@@H](CNC)C1 226628921 487052930 /nfs/dbraw/zinc/05/29/30/487052930.db2.gz OGGVKEPFCSHHDO-ZJUUUORDSA-N 1 3 170.300 1.326 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC=CCC1 227062998 487053526 /nfs/dbraw/zinc/05/35/26/487053526.db2.gz SHXYGLBCWKQRMO-TUAOUCFPSA-N 1 3 194.322 1.812 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC=CCC1 227063008 487054051 /nfs/dbraw/zinc/05/40/51/487054051.db2.gz SHXYGLBCWKQRMO-QJPTWQEYSA-N 1 3 194.322 1.812 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@@H](N)[C@@H](C)C1 227207767 487054646 /nfs/dbraw/zinc/05/46/46/487054646.db2.gz GVXRJRMTWIRHML-GARJFASQSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@@H](N)[C@@H](C)C1 227207767 487054647 /nfs/dbraw/zinc/05/46/47/487054647.db2.gz GVXRJRMTWIRHML-GARJFASQSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)CN1CC[C@@H]([NH3+])[C@@H](C)C1 227207767 487054648 /nfs/dbraw/zinc/05/46/48/487054648.db2.gz GVXRJRMTWIRHML-GARJFASQSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@@H](NC)C1 227311542 487054668 /nfs/dbraw/zinc/05/46/68/487054668.db2.gz HICAUSYXOBNYNG-VHSXEESVSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@@H](NC)C1 227311542 487054669 /nfs/dbraw/zinc/05/46/69/487054669.db2.gz HICAUSYXOBNYNG-VHSXEESVSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@@H](CNC)C1 227208648 487054707 /nfs/dbraw/zinc/05/47/07/487054707.db2.gz BIQCKLFNCVIKNV-QWRGUYRKSA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@@H](CNC)C1 227208648 487054710 /nfs/dbraw/zinc/05/47/10/487054710.db2.gz BIQCKLFNCVIKNV-QWRGUYRKSA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC)C1 227208639 487054725 /nfs/dbraw/zinc/05/47/25/487054725.db2.gz BIQCKLFNCVIKNV-MNOVXSKESA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@@H](C)C[N@H+]1CC[C@@H](CNC)C1 227208639 487054730 /nfs/dbraw/zinc/05/47/30/487054730.db2.gz BIQCKLFNCVIKNV-MNOVXSKESA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](NC)C1 227311531 487054796 /nfs/dbraw/zinc/05/47/96/487054796.db2.gz HICAUSYXOBNYNG-NXEZZACHSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@@H](C)C[N@H+]1CC[C@@H](NC)C1 227311531 487054800 /nfs/dbraw/zinc/05/48/00/487054800.db2.gz HICAUSYXOBNYNG-NXEZZACHSA-N 1 3 170.300 1.326 20 0 ADADHO C[N@H+](CCCN)[C@@H]1CCC(C)(C)C1 227743385 487055533 /nfs/dbraw/zinc/05/55/33/487055533.db2.gz HVQFNPCUBYFRFC-SNVBAGLBSA-N 1 3 184.327 1.846 20 0 ADADHO C[N@@H+](CCCN)[C@@H]1CCC(C)(C)C1 227743385 487055534 /nfs/dbraw/zinc/05/55/34/487055534.db2.gz HVQFNPCUBYFRFC-SNVBAGLBSA-N 1 3 184.327 1.846 20 0 ADADHO C[N@H+](CCCN)[C@H]1CCC(C)(C)C1 227743392 487055737 /nfs/dbraw/zinc/05/57/37/487055737.db2.gz HVQFNPCUBYFRFC-JTQLQIEISA-N 1 3 184.327 1.846 20 0 ADADHO C[N@@H+](CCCN)[C@H]1CCC(C)(C)C1 227743392 487055744 /nfs/dbraw/zinc/05/57/44/487055744.db2.gz HVQFNPCUBYFRFC-JTQLQIEISA-N 1 3 184.327 1.846 20 0 ADADHO CCC(CC)C[N@H+](C)CCCN 227745295 487056132 /nfs/dbraw/zinc/05/61/32/487056132.db2.gz HOOLJOZKAGFMLZ-UHFFFAOYSA-N 1 3 172.316 1.703 20 0 ADADHO CCC(CC)C[N@@H+](C)CCCN 227745295 487056137 /nfs/dbraw/zinc/05/61/37/487056137.db2.gz HOOLJOZKAGFMLZ-UHFFFAOYSA-N 1 3 172.316 1.703 20 0 ADADHO CCC(CC)CN(C)CCC[NH3+] 227745295 487056144 /nfs/dbraw/zinc/05/61/44/487056144.db2.gz HOOLJOZKAGFMLZ-UHFFFAOYSA-N 1 3 172.316 1.703 20 0 ADADHO C[C@@H]([N@H+](C)CCCN)C1(C)CC1 227743163 487056484 /nfs/dbraw/zinc/05/64/84/487056484.db2.gz CQHHCERFWYVJRB-SECBINFHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@@H]([N@@H+](C)CCCN)C1(C)CC1 227743163 487056488 /nfs/dbraw/zinc/05/64/88/487056488.db2.gz CQHHCERFWYVJRB-SECBINFHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@@H](N(C)CCC[NH3+])C1(C)CC1 227743163 487056491 /nfs/dbraw/zinc/05/64/91/487056491.db2.gz CQHHCERFWYVJRB-SECBINFHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]([N@H+](C)CCCN)C1(C)CC1 227743171 487056500 /nfs/dbraw/zinc/05/65/00/487056500.db2.gz CQHHCERFWYVJRB-VIFPVBQESA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]([N@@H+](C)CCCN)C1(C)CC1 227743171 487056502 /nfs/dbraw/zinc/05/65/02/487056502.db2.gz CQHHCERFWYVJRB-VIFPVBQESA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H](N(C)CCC[NH3+])C1(C)CC1 227743171 487056505 /nfs/dbraw/zinc/05/65/05/487056505.db2.gz CQHHCERFWYVJRB-VIFPVBQESA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@H](C)C[N@@H+]1C[C@@H](CN)C[C@@H]1C 228076841 487057338 /nfs/dbraw/zinc/05/73/38/487057338.db2.gz JMLRZNLLJORRML-GARJFASQSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@H+]1C[C@@H](CN)C[C@@H]1C 228076841 487057343 /nfs/dbraw/zinc/05/73/43/487057343.db2.gz JMLRZNLLJORRML-GARJFASQSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1C[C@@H]1C 228486072 487058115 /nfs/dbraw/zinc/05/81/15/487058115.db2.gz NMALXKZFXCQGEV-SDDRHHMPSA-N 1 3 198.354 1.948 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](N)C1 228698748 487060475 /nfs/dbraw/zinc/06/04/75/487060475.db2.gz MEWXLLQSWWPHSO-GWOFURMSSA-N 1 3 182.311 1.502 20 0 ADADHO NCCC[N@H+](CC1CC1)C1CCC1 228581631 487061217 /nfs/dbraw/zinc/06/12/17/487061217.db2.gz YQUSNAKXUVZQJX-UHFFFAOYSA-N 1 3 182.311 1.600 20 0 ADADHO NCCC[N@@H+](CC1CC1)C1CCC1 228581631 487061224 /nfs/dbraw/zinc/06/12/24/487061224.db2.gz YQUSNAKXUVZQJX-UHFFFAOYSA-N 1 3 182.311 1.600 20 0 ADADHO CC[N@H+](CCCN)C1CCC1 228581647 487061278 /nfs/dbraw/zinc/06/12/78/487061278.db2.gz FZWAYBZZFQLDRI-UHFFFAOYSA-N 1 3 156.273 1.210 20 0 ADADHO CC[N@@H+](CCCN)C1CCC1 228581647 487061286 /nfs/dbraw/zinc/06/12/86/487061286.db2.gz FZWAYBZZFQLDRI-UHFFFAOYSA-N 1 3 156.273 1.210 20 0 ADADHO CCN(CCC[NH3+])C1CCC1 228581647 487061294 /nfs/dbraw/zinc/06/12/94/487061294.db2.gz FZWAYBZZFQLDRI-UHFFFAOYSA-N 1 3 156.273 1.210 20 0 ADADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)C1CC1 228754929 487061702 /nfs/dbraw/zinc/06/17/02/487061702.db2.gz JJUMKJHGZOMSGR-JLLWLGSASA-N 1 3 196.338 1.892 20 0 ADADHO CNC[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2C)C1 228724222 487061751 /nfs/dbraw/zinc/06/17/51/487061751.db2.gz MKZINSNVGULXOA-DCAQKATOSA-N 1 3 182.311 1.184 20 0 ADADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 228724222 487061752 /nfs/dbraw/zinc/06/17/52/487061752.db2.gz MKZINSNVGULXOA-DCAQKATOSA-N 1 3 182.311 1.184 20 0 ADADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2C[C@@H]2C)C1 228724222 487061758 /nfs/dbraw/zinc/06/17/58/487061758.db2.gz MKZINSNVGULXOA-DCAQKATOSA-N 1 3 182.311 1.184 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@@]1(C)CCCNC1 228790473 487062106 /nfs/dbraw/zinc/06/21/06/487062106.db2.gz LMSMQHIBVLQYJP-UTUOFQBUSA-N 1 3 196.338 1.622 20 0 ADADHO CC(C)=CCN[C@@H]1CCC[C@@H]([NH3+])C1 228835973 487062123 /nfs/dbraw/zinc/06/21/23/487062123.db2.gz AJFAKEDNACVBOS-GHMZBOCLSA-N 1 3 182.311 1.812 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+]C[C@@]1(C)CCCNC1 228790492 487062201 /nfs/dbraw/zinc/06/22/01/487062201.db2.gz LMSMQHIBVLQYJP-WOPDTQHZSA-N 1 3 196.338 1.622 20 0 ADADHO CC(C)=CCN[C@@H]1CCC[C@H]([NH3+])C1 228835996 487062245 /nfs/dbraw/zinc/06/22/45/487062245.db2.gz AJFAKEDNACVBOS-WDEREUQCSA-N 1 3 182.311 1.812 20 0 ADADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)C1CC1 228754908 487062426 /nfs/dbraw/zinc/06/24/26/487062426.db2.gz JJUMKJHGZOMSGR-YUSALJHKSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)=CCN[C@H]1CCC[C@H]([NH3+])C1 228836008 487062455 /nfs/dbraw/zinc/06/24/55/487062455.db2.gz AJFAKEDNACVBOS-QWRGUYRKSA-N 1 3 182.311 1.812 20 0 ADADHO CC(C)=CCN[C@H]1CCC[C@@H]([NH3+])C1 228835984 487062632 /nfs/dbraw/zinc/06/26/32/487062632.db2.gz AJFAKEDNACVBOS-MNOVXSKESA-N 1 3 182.311 1.812 20 0 ADADHO CC(C)=CCN[C@@H]1CCC[C@H]1C[NH3+] 228873640 487063067 /nfs/dbraw/zinc/06/30/67/487063067.db2.gz JCZIATHTAOLLCS-WDEREUQCSA-N 1 3 182.311 1.670 20 0 ADADHO CC(C)=CC[NH2+][C@@H]1CCC[C@H]1CN 228873640 487063069 /nfs/dbraw/zinc/06/30/69/487063069.db2.gz JCZIATHTAOLLCS-WDEREUQCSA-N 1 3 182.311 1.670 20 0 ADADHO CC(C)=CCN[C@H]1CCC[C@H]1C[NH3+] 228873651 487063170 /nfs/dbraw/zinc/06/31/70/487063170.db2.gz JCZIATHTAOLLCS-QWRGUYRKSA-N 1 3 182.311 1.670 20 0 ADADHO CC(C)=CC[NH2+][C@H]1CCC[C@H]1CN 228873651 487063175 /nfs/dbraw/zinc/06/31/75/487063175.db2.gz JCZIATHTAOLLCS-QWRGUYRKSA-N 1 3 182.311 1.670 20 0 ADADHO CC(C)=CCN[C@H]1CCC[C@@H]1C[NH3+] 228873632 487063183 /nfs/dbraw/zinc/06/31/83/487063183.db2.gz JCZIATHTAOLLCS-MNOVXSKESA-N 1 3 182.311 1.670 20 0 ADADHO CC(C)=CC[NH2+][C@H]1CCC[C@@H]1CN 228873632 487063189 /nfs/dbraw/zinc/06/31/89/487063189.db2.gz JCZIATHTAOLLCS-MNOVXSKESA-N 1 3 182.311 1.670 20 0 ADADHO CC(C)=CCN[C@@H]1CCC[C@@H]1C[NH3+] 228873620 487063258 /nfs/dbraw/zinc/06/32/58/487063258.db2.gz JCZIATHTAOLLCS-GHMZBOCLSA-N 1 3 182.311 1.670 20 0 ADADHO CC(C)=CC[NH2+][C@@H]1CCC[C@@H]1CN 228873620 487063260 /nfs/dbraw/zinc/06/32/60/487063260.db2.gz JCZIATHTAOLLCS-GHMZBOCLSA-N 1 3 182.311 1.670 20 0 ADADHO C[C@H]1C[N@H+](CCC2CCC2)CC[C@@H]1N 229112905 487063839 /nfs/dbraw/zinc/06/38/39/487063839.db2.gz AIXDMBBANZEDPP-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1N 229112905 487063843 /nfs/dbraw/zinc/06/38/43/487063843.db2.gz AIXDMBBANZEDPP-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CN(CCC2CCC2)CC[C@@H]1[NH3+] 229112905 487063845 /nfs/dbraw/zinc/06/38/45/487063845.db2.gz AIXDMBBANZEDPP-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO CNC[C@H]1CC[N@H+](CCC2CCC2)C1 229113958 487063886 /nfs/dbraw/zinc/06/38/86/487063886.db2.gz ROIOLBLTGPJWIL-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CNC[C@H]1CC[N@@H+](CCC2CCC2)C1 229113958 487063889 /nfs/dbraw/zinc/06/38/89/487063889.db2.gz ROIOLBLTGPJWIL-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO C[NH2+]C[C@H]1CCN(CCC2CCC2)C1 229113958 487063892 /nfs/dbraw/zinc/06/38/92/487063892.db2.gz ROIOLBLTGPJWIL-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1C[N@H+](CCC2CCC2)CC[C@@H]1N 229112896 487064194 /nfs/dbraw/zinc/06/41/94/487064194.db2.gz AIXDMBBANZEDPP-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1N 229112896 487064199 /nfs/dbraw/zinc/06/41/99/487064199.db2.gz AIXDMBBANZEDPP-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CN(CCC2CCC2)CC[C@@H]1[NH3+] 229112896 487064202 /nfs/dbraw/zinc/06/42/02/487064202.db2.gz AIXDMBBANZEDPP-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO CNC[C@@H]1CC[N@H+](CCC2CCC2)C1 229113949 487064232 /nfs/dbraw/zinc/06/42/32/487064232.db2.gz ROIOLBLTGPJWIL-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO CNC[C@@H]1CC[N@@H+](CCC2CCC2)C1 229113949 487064236 /nfs/dbraw/zinc/06/42/36/487064236.db2.gz ROIOLBLTGPJWIL-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO C[NH2+]C[C@@H]1CCN(CCC2CCC2)C1 229113949 487064239 /nfs/dbraw/zinc/06/42/39/487064239.db2.gz ROIOLBLTGPJWIL-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO NC[C@H]1CC[N@H+](CCC2CCC2)C1 229113930 487064345 /nfs/dbraw/zinc/06/43/45/487064345.db2.gz DMEPDMSLIDVTAY-LLVKDONJSA-N 1 3 182.311 1.457 20 0 ADADHO NC[C@H]1CC[N@@H+](CCC2CCC2)C1 229113930 487064353 /nfs/dbraw/zinc/06/43/53/487064353.db2.gz DMEPDMSLIDVTAY-LLVKDONJSA-N 1 3 182.311 1.457 20 0 ADADHO NC[C@@H]1CC[N@H+](CCC2CCC2)C1 229113922 487064763 /nfs/dbraw/zinc/06/47/63/487064763.db2.gz DMEPDMSLIDVTAY-NSHDSACASA-N 1 3 182.311 1.457 20 0 ADADHO NC[C@@H]1CC[N@@H+](CCC2CCC2)C1 229113922 487064765 /nfs/dbraw/zinc/06/47/65/487064765.db2.gz DMEPDMSLIDVTAY-NSHDSACASA-N 1 3 182.311 1.457 20 0 ADADHO C1CCC(C[NH2+]C[C@H]2CCCN2)CC1 229293218 487065145 /nfs/dbraw/zinc/06/51/45/487065145.db2.gz QFIXNWLSSUFQBU-GFCCVEGCSA-N 1 3 196.338 1.908 20 0 ADADHO C1CCC(C[NH2+]C[C@@H]2CCCN2)CC1 229293210 487065326 /nfs/dbraw/zinc/06/53/26/487065326.db2.gz QFIXNWLSSUFQBU-LBPRGKRZSA-N 1 3 196.338 1.908 20 0 ADADHO CCCC[C@H](CC)[NH2+][C@@H]1CCNC1 231202153 487076361 /nfs/dbraw/zinc/07/63/61/487076361.db2.gz LRBQBHXKUGLJBA-WDEREUQCSA-N 1 3 184.327 1.907 20 0 ADADHO CCCC[C@@H](CC)[NH2+][C@@H]1CCNC1 231202147 487076433 /nfs/dbraw/zinc/07/64/33/487076433.db2.gz LRBQBHXKUGLJBA-GHMZBOCLSA-N 1 3 184.327 1.907 20 0 ADADHO CC(C)(NCCC[NH3+])c1ccccc1 231150572 487077068 /nfs/dbraw/zinc/07/70/68/487077068.db2.gz REMUUIZRLVXVHK-UHFFFAOYSA-N 1 3 192.306 1.860 20 0 ADADHO CCCC[C@H](CC)[NH2+][C@H]1CCNC1 231202161 487077399 /nfs/dbraw/zinc/07/73/99/487077399.db2.gz LRBQBHXKUGLJBA-QWRGUYRKSA-N 1 3 184.327 1.907 20 0 ADADHO CCCC[C@@H](CC)[NH2+][C@H]1CCNC1 231202157 487077488 /nfs/dbraw/zinc/07/74/88/487077488.db2.gz LRBQBHXKUGLJBA-MNOVXSKESA-N 1 3 184.327 1.907 20 0 ADADHO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCN1 232695389 487084109 /nfs/dbraw/zinc/08/41/09/487084109.db2.gz VELWHWGWFBIGQE-ZJUUUORDSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)[C@H](C)NC[C@@H]1CCCC[NH2+]1 232704258 487084152 /nfs/dbraw/zinc/08/41/52/487084152.db2.gz XVQFGFZDCWIQIH-QWRGUYRKSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)[C@H](C)[NH2+]C[C@@H]1CCCN1 232704323 487084205 /nfs/dbraw/zinc/08/42/05/487084205.db2.gz VELWHWGWFBIGQE-UWVGGRQHSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)[C@@H](C)[NH2+]C[C@H]1CCCN1 232696095 487084429 /nfs/dbraw/zinc/08/44/29/487084429.db2.gz VELWHWGWFBIGQE-NXEZZACHSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)[C@H](C)NC[C@H]1CCCC[NH2+]1 232705031 487084464 /nfs/dbraw/zinc/08/44/64/487084464.db2.gz XVQFGFZDCWIQIH-WDEREUQCSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)[C@H](C)[NH2+]C[C@H]1CCCN1 232705080 487084540 /nfs/dbraw/zinc/08/45/40/487084540.db2.gz VELWHWGWFBIGQE-VHSXEESVSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)[C@@H](C)NC[C@H]1CCCC[NH2+]1 232696046 487084594 /nfs/dbraw/zinc/08/45/94/487084594.db2.gz XVQFGFZDCWIQIH-GHMZBOCLSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)[C@@H](C)NC[C@@H]1CCCC[NH2+]1 232695315 487084802 /nfs/dbraw/zinc/08/48/02/487084802.db2.gz XVQFGFZDCWIQIH-MNOVXSKESA-N 1 3 184.327 1.763 20 0 ADADHO CC1(C[N@@H+]2CC[C@H](CN)C2)CC1 232827780 487085573 /nfs/dbraw/zinc/08/55/73/487085573.db2.gz ZQADFDFBAWRIQR-SECBINFHSA-N 1 3 168.284 1.067 20 0 ADADHO CC1(C[N@H+]2CC[C@H](CN)C2)CC1 232827780 487085576 /nfs/dbraw/zinc/08/55/76/487085576.db2.gz ZQADFDFBAWRIQR-SECBINFHSA-N 1 3 168.284 1.067 20 0 ADADHO CC1(CN2CC[C@H](C[NH3+])C2)CC1 232827780 487085581 /nfs/dbraw/zinc/08/55/81/487085581.db2.gz ZQADFDFBAWRIQR-SECBINFHSA-N 1 3 168.284 1.067 20 0 ADADHO CC1(C[NH2+]CCCNC2CC2)CC1 232863147 487085859 /nfs/dbraw/zinc/08/58/59/487085859.db2.gz QDAZTSSAEXJKJJ-UHFFFAOYSA-N 1 3 182.311 1.518 20 0 ADADHO CC1(C[N@@H+]2CC[C@@H](CN)C2)CC1 232827117 487085946 /nfs/dbraw/zinc/08/59/46/487085946.db2.gz ZQADFDFBAWRIQR-VIFPVBQESA-N 1 3 168.284 1.067 20 0 ADADHO CC1(C[N@H+]2CC[C@@H](CN)C2)CC1 232827117 487085947 /nfs/dbraw/zinc/08/59/47/487085947.db2.gz ZQADFDFBAWRIQR-VIFPVBQESA-N 1 3 168.284 1.067 20 0 ADADHO CC1(CN2CC[C@@H](C[NH3+])C2)CC1 232827117 487085953 /nfs/dbraw/zinc/08/59/53/487085953.db2.gz ZQADFDFBAWRIQR-VIFPVBQESA-N 1 3 168.284 1.067 20 0 ADADHO CCC(C)(C)C[NH2+]C1CCNCC1 232864615 487086164 /nfs/dbraw/zinc/08/61/64/487086164.db2.gz TZMFALSARDUEDI-UHFFFAOYSA-N 1 3 184.327 1.764 20 0 ADADHO CC1(CNC[C@@H]2CCCC[NH2+]2)CC1 232889596 487086505 /nfs/dbraw/zinc/08/65/05/487086505.db2.gz KTNURMSIVNXRQM-JTQLQIEISA-N 1 3 182.311 1.518 20 0 ADADHO CCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 232884487 487086526 /nfs/dbraw/zinc/08/65/26/487086526.db2.gz OXIHQIBAQNTTMS-MNOVXSKESA-N 1 3 196.338 1.894 20 0 ADADHO CC1(CNC[C@H]2CCCC[NH2+]2)CC1 232908226 487086596 /nfs/dbraw/zinc/08/65/96/487086596.db2.gz KTNURMSIVNXRQM-SNVBAGLBSA-N 1 3 182.311 1.518 20 0 ADADHO CCC1(C[NH2+][C@H]2CCC[C@H]2CN)CC1 232886676 487086627 /nfs/dbraw/zinc/08/66/27/487086627.db2.gz OXIHQIBAQNTTMS-QWRGUYRKSA-N 1 3 196.338 1.894 20 0 ADADHO CC1(C[NH2+]C[C@H]2CCCNC2)CC1 232909568 487086753 /nfs/dbraw/zinc/08/67/53/487086753.db2.gz YEZWBPBCHOWWQZ-JTQLQIEISA-N 1 3 182.311 1.376 20 0 ADADHO CC1(C[NH2+]C[C@@]2(C)CCCNC2)CC1 232897648 487087008 /nfs/dbraw/zinc/08/70/08/487087008.db2.gz LCJWDJCOXUYDPY-LBPRGKRZSA-N 1 3 196.338 1.766 20 0 ADADHO CC1(C[NH2+]C[C@]2(C)CCCNC2)CC1 232915151 487087031 /nfs/dbraw/zinc/08/70/31/487087031.db2.gz LCJWDJCOXUYDPY-GFCCVEGCSA-N 1 3 196.338 1.766 20 0 ADADHO CC1(C[NH2+]C[C@@H]2CCCNC2)CC1 232891280 487087157 /nfs/dbraw/zinc/08/71/57/487087157.db2.gz YEZWBPBCHOWWQZ-SNVBAGLBSA-N 1 3 182.311 1.376 20 0 ADADHO CCC(C)(C)C[NH2+][C@H]1CCNC1 233002181 487087578 /nfs/dbraw/zinc/08/75/78/487087578.db2.gz WJVUXKLENLGKOU-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CC1(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 233027929 487087626 /nfs/dbraw/zinc/08/76/26/487087626.db2.gz TTWHXXIQJVPCCO-QWRGUYRKSA-N 1 3 196.338 1.894 20 0 ADADHO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](N)C1 232958245 487087665 /nfs/dbraw/zinc/08/76/65/487087665.db2.gz PSXGTNWRJOTEOJ-GMTAPVOTSA-N 1 3 196.338 1.892 20 0 ADADHO CC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 233021817 487087679 /nfs/dbraw/zinc/08/76/79/487087679.db2.gz FSTGLPXLQXXQGX-NXEZZACHSA-N 1 3 182.311 1.646 20 0 ADADHO CC1(CN[C@H]2CCC[NH2+]C2)CC1 233028300 487087690 /nfs/dbraw/zinc/08/76/90/487087690.db2.gz KIFYUGGYMPWSKS-VIFPVBQESA-N 1 3 168.284 1.128 20 0 ADADHO CC1(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 233029129 487087701 /nfs/dbraw/zinc/08/77/01/487087701.db2.gz KLGQQWHJFUYLSG-ZJUUUORDSA-N 1 3 182.311 1.504 20 0 ADADHO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CN 232958368 487087720 /nfs/dbraw/zinc/08/77/20/487087720.db2.gz VWNSFZMSSGXEON-GMTAPVOTSA-N 1 3 196.338 1.750 20 0 ADADHO CCC(C)(C)C[NH2+][C@@H]1CCNC1 232983484 487087735 /nfs/dbraw/zinc/08/77/35/487087735.db2.gz WJVUXKLENLGKOU-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO CCC([NH3+])(CC)CNCC1(C)CC1 232989549 487087751 /nfs/dbraw/zinc/08/77/51/487087751.db2.gz OKOPBDIEJWSMLC-UHFFFAOYSA-N 1 3 184.327 1.894 20 0 ADADHO CC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 233022920 487087786 /nfs/dbraw/zinc/08/77/86/487087786.db2.gz FSTGLPXLQXXQGX-VHSXEESVSA-N 1 3 182.311 1.646 20 0 ADADHO CC1(C)C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CN 232962586 487087803 /nfs/dbraw/zinc/08/78/03/487087803.db2.gz VWNSFZMSSGXEON-MXWKQRLJSA-N 1 3 196.338 1.750 20 0 ADADHO CC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 233019443 487087848 /nfs/dbraw/zinc/08/78/48/487087848.db2.gz TTWHXXIQJVPCCO-GHMZBOCLSA-N 1 3 196.338 1.894 20 0 ADADHO CCC(C)(C)CN[C@@H]1CCC[NH2+]C1 232980926 487088121 /nfs/dbraw/zinc/08/81/21/487088121.db2.gz ZXIHMBGACJSKQN-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 233027320 487088148 /nfs/dbraw/zinc/08/81/48/487088148.db2.gz TTWHXXIQJVPCCO-MNOVXSKESA-N 1 3 196.338 1.894 20 0 ADADHO CC1(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 233023160 487088167 /nfs/dbraw/zinc/08/81/67/487088167.db2.gz KLGQQWHJFUYLSG-VHSXEESVSA-N 1 3 182.311 1.504 20 0 ADADHO CC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 233022205 487088176 /nfs/dbraw/zinc/08/81/76/487088176.db2.gz KLGQQWHJFUYLSG-NXEZZACHSA-N 1 3 182.311 1.504 20 0 ADADHO CC1(C)C[C@@H]1C[NH2+][C@H]1CCC[C@@H](N)C1 232962465 487088210 /nfs/dbraw/zinc/08/82/10/487088210.db2.gz PSXGTNWRJOTEOJ-MXWKQRLJSA-N 1 3 196.338 1.892 20 0 ADADHO CC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 233028893 487088223 /nfs/dbraw/zinc/08/82/23/487088223.db2.gz FSTGLPXLQXXQGX-ZJUUUORDSA-N 1 3 182.311 1.646 20 0 ADADHO CC1(CN[C@@H]2CCC[NH2+]C2)CC1 233020846 487088301 /nfs/dbraw/zinc/08/83/01/487088301.db2.gz KIFYUGGYMPWSKS-SECBINFHSA-N 1 3 168.284 1.128 20 0 ADADHO CCC(C)(C)CN[C@H]1CCC[NH2+]C1 233000294 487088400 /nfs/dbraw/zinc/08/84/00/487088400.db2.gz ZXIHMBGACJSKQN-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 233020289 487088460 /nfs/dbraw/zinc/08/84/60/487088460.db2.gz TTWHXXIQJVPCCO-WDEREUQCSA-N 1 3 196.338 1.894 20 0 ADADHO CCC[C@@H](C)[NH2+]C[C@@H](C)CN 233281010 487088722 /nfs/dbraw/zinc/08/87/22/487088722.db2.gz CKNCGEXEQBEWSA-DTWKUNHWSA-N 1 3 158.289 1.359 20 0 ADADHO CCC[C@@H](C)[NH2+]CCCNCC 233279901 487088784 /nfs/dbraw/zinc/08/87/84/487088784.db2.gz CYOBKLAQZQCCOH-SNVBAGLBSA-N 1 3 172.316 1.764 20 0 ADADHO CCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 233089541 487088801 /nfs/dbraw/zinc/08/88/01/487088801.db2.gz OXIHQIBAQNTTMS-WDEREUQCSA-N 1 3 196.338 1.894 20 0 ADADHO CC1(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 233029703 487088935 /nfs/dbraw/zinc/08/89/35/487088935.db2.gz FSTGLPXLQXXQGX-UWVGGRQHSA-N 1 3 182.311 1.646 20 0 ADADHO CCC[C@@H](C)[NH2+]CCCNC 233279892 487088975 /nfs/dbraw/zinc/08/89/75/487088975.db2.gz QOHOIUUZPWOTEC-SECBINFHSA-N 1 3 158.289 1.374 20 0 ADADHO CCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 233089103 487089114 /nfs/dbraw/zinc/08/91/14/487089114.db2.gz OXIHQIBAQNTTMS-GHMZBOCLSA-N 1 3 196.338 1.894 20 0 ADADHO CCC[C@@H](C)[NH2+]C[C@H](C)CN 233281757 487089122 /nfs/dbraw/zinc/08/91/22/487089122.db2.gz CKNCGEXEQBEWSA-RKDXNWHRSA-N 1 3 158.289 1.359 20 0 ADADHO CC1(C[NH2+][C@H]2CCC[C@H]2CN)CC1 233029911 487089137 /nfs/dbraw/zinc/08/91/37/487089137.db2.gz KLGQQWHJFUYLSG-UWVGGRQHSA-N 1 3 182.311 1.504 20 0 ADADHO CCC[C@@H](C)[NH2+]CCCNC1CC1 233279898 487089368 /nfs/dbraw/zinc/08/93/68/487089368.db2.gz GKSNHXRHHIVAQF-SNVBAGLBSA-N 1 3 184.327 1.907 20 0 ADADHO CCC[C@@H](C)NC[C@@H]1CCCC[NH2+]1 233281641 487089467 /nfs/dbraw/zinc/08/94/67/487089467.db2.gz QBGSSXNAEWAGGF-MNOVXSKESA-N 1 3 184.327 1.907 20 0 ADADHO CCC[C@@H](C)NC[C@H]1CCCC[NH2+]1 233277322 487089658 /nfs/dbraw/zinc/08/96/58/487089658.db2.gz QBGSSXNAEWAGGF-GHMZBOCLSA-N 1 3 184.327 1.907 20 0 ADADHO CCC[C@H](C)[NH2+]CCCNC1CC1 233336817 487090182 /nfs/dbraw/zinc/09/01/82/487090182.db2.gz GKSNHXRHHIVAQF-JTQLQIEISA-N 1 3 184.327 1.907 20 0 ADADHO CCC[C@@H](CC)[NH2+]C[C@H]1CCCN1 233287152 487090284 /nfs/dbraw/zinc/09/02/84/487090284.db2.gz DWGWLHILGADYAG-GHMZBOCLSA-N 1 3 184.327 1.907 20 0 ADADHO CCC[C@@H](CC)[NH2+]C[C@@H]1CCCN1 233286919 487090301 /nfs/dbraw/zinc/09/03/01/487090301.db2.gz DWGWLHILGADYAG-MNOVXSKESA-N 1 3 184.327 1.907 20 0 ADADHO CCC[C@H](C)NC[C@H]1CCCC[NH2+]1 233337451 487090387 /nfs/dbraw/zinc/09/03/87/487090387.db2.gz QBGSSXNAEWAGGF-WDEREUQCSA-N 1 3 184.327 1.907 20 0 ADADHO CCC[C@H](C)NC[C@@H]1CCCC[NH2+]1 233338180 487090406 /nfs/dbraw/zinc/09/04/06/487090406.db2.gz QBGSSXNAEWAGGF-QWRGUYRKSA-N 1 3 184.327 1.907 20 0 ADADHO CCC[C@H](C)[NH2+]C[C@H](C)CN 233338307 487090545 /nfs/dbraw/zinc/09/05/45/487090545.db2.gz CKNCGEXEQBEWSA-BDAKNGLRSA-N 1 3 158.289 1.359 20 0 ADADHO CCC[C@H](C)[NH2+]C[C@@H](C)CN 233337597 487090640 /nfs/dbraw/zinc/09/06/40/487090640.db2.gz CKNCGEXEQBEWSA-IUCAKERBSA-N 1 3 158.289 1.359 20 0 ADADHO CCC[C@H](C)[NH2+]CCCNCC 233336821 487090703 /nfs/dbraw/zinc/09/07/03/487090703.db2.gz CYOBKLAQZQCCOH-JTQLQIEISA-N 1 3 172.316 1.764 20 0 ADADHO CCC[C@H](C)[NH2+]CCCNC 233336813 487090763 /nfs/dbraw/zinc/09/07/63/487090763.db2.gz QOHOIUUZPWOTEC-VIFPVBQESA-N 1 3 158.289 1.374 20 0 ADADHO CCC[C@H](CC)[NH2+]C[C@@H]1CCCN1 233345312 487091322 /nfs/dbraw/zinc/09/13/22/487091322.db2.gz DWGWLHILGADYAG-QWRGUYRKSA-N 1 3 184.327 1.907 20 0 ADADHO CCC[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 233339092 487091433 /nfs/dbraw/zinc/09/14/33/487091433.db2.gz PRNGPHLYFXPFJB-DCAQKATOSA-N 1 3 184.327 1.905 20 0 ADADHO CCC[C@H](CC)[NH2+]C[C@H]1CCCN1 233345540 487091539 /nfs/dbraw/zinc/09/15/39/487091539.db2.gz DWGWLHILGADYAG-WDEREUQCSA-N 1 3 184.327 1.907 20 0 ADADHO CCC[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 233338763 487091746 /nfs/dbraw/zinc/09/17/46/487091746.db2.gz PRNGPHLYFXPFJB-GARJFASQSA-N 1 3 184.327 1.905 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN1 233992674 487093819 /nfs/dbraw/zinc/09/38/19/487093819.db2.gz OQMCYZPIOJPNEF-DCAQKATOSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@@H](NC[C@H]1CCC[NH2+]1)C(C)C 233892617 487092854 /nfs/dbraw/zinc/09/28/54/487092854.db2.gz WZIMOYKLCUXMGN-GHMZBOCLSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@@H]([NH2+]C[C@H]1CCCN1)C(C)C 233892617 487092858 /nfs/dbraw/zinc/09/28/58/487092858.db2.gz WZIMOYKLCUXMGN-GHMZBOCLSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 233986666 487093583 /nfs/dbraw/zinc/09/35/83/487093583.db2.gz QUXVJXDCSWSFAF-GUBZILKMSA-N 1 3 170.300 1.515 20 0 ADADHO CC[C@@H](NC[C@@H]1CCC[NH2+]1)C(C)C 233900773 487093891 /nfs/dbraw/zinc/09/38/91/487093891.db2.gz WZIMOYKLCUXMGN-WDEREUQCSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@@H]([NH2+]C[C@@H]1CCCN1)C(C)C 233900773 487093896 /nfs/dbraw/zinc/09/38/96/487093896.db2.gz WZIMOYKLCUXMGN-WDEREUQCSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN1 234021308 487094422 /nfs/dbraw/zinc/09/44/22/487094422.db2.gz OQMCYZPIOJPNEF-AXFHLTTASA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 234005370 487094489 /nfs/dbraw/zinc/09/44/89/487094489.db2.gz QUXVJXDCSWSFAF-LPEHRKFASA-N 1 3 170.300 1.515 20 0 ADADHO CC[C@H](NC[C@H]1CCC[NH2+]1)C(C)C 234054102 487094676 /nfs/dbraw/zinc/09/46/76/487094676.db2.gz WZIMOYKLCUXMGN-MNOVXSKESA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@H]1CCCN1)C(C)C 234054102 487094684 /nfs/dbraw/zinc/09/46/84/487094684.db2.gz WZIMOYKLCUXMGN-MNOVXSKESA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](NC[C@@H]1CCC[NH2+]1)C(C)C 234037707 487094985 /nfs/dbraw/zinc/09/49/85/487094985.db2.gz WZIMOYKLCUXMGN-QWRGUYRKSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@@H]1CCCN1)C(C)C 234037707 487094990 /nfs/dbraw/zinc/09/49/90/487094990.db2.gz WZIMOYKLCUXMGN-QWRGUYRKSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@@H]1CCN(CC2(C)CC2)C1 234406528 487095494 /nfs/dbraw/zinc/09/54/94/487095494.db2.gz ZFEPEXCVBCBTNX-JTQLQIEISA-N 1 3 182.311 1.328 20 0 ADADHO C[NH2+]C[C@H]1CCN(CC2(C)CC2)C1 234406143 487096245 /nfs/dbraw/zinc/09/62/45/487096245.db2.gz ZFEPEXCVBCBTNX-SNVBAGLBSA-N 1 3 182.311 1.328 20 0 ADADHO C[NH+](C)C[C@H]1CCN(CC2(C)CC2)C1 683830924 487099848 /nfs/dbraw/zinc/09/98/48/487099848.db2.gz ZQMLVGDTZZFXSI-LLVKDONJSA-N 1 3 196.338 1.670 20 0 ADADHO C[C@@H](NC[C@H]1CCCC[NH2+]1)C1CC1 235204313 487100144 /nfs/dbraw/zinc/10/01/44/487100144.db2.gz WNVFNAQXEWRNRW-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]([NH2+]C[C@H]1CCCN1)C1CCC1 235212480 487100195 /nfs/dbraw/zinc/10/01/95/487100195.db2.gz KNISWMAQLSRZAV-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]([NH2+]C[C@@H]1CCCN1)C1CCC1 235188096 487100353 /nfs/dbraw/zinc/10/03/53/487100353.db2.gz KNISWMAQLSRZAV-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]([NH2+]C[C@@H]1CCCN1)C1CC1 235188058 487100494 /nfs/dbraw/zinc/10/04/94/487100494.db2.gz FUQQIZIKHSLXDU-SCZZXKLOSA-N 1 3 168.284 1.127 20 0 ADADHO C[NH+](C)C[C@@H]1CCN(CC2(C)CC2)C1 683830925 487100505 /nfs/dbraw/zinc/10/05/05/487100505.db2.gz ZQMLVGDTZZFXSI-NSHDSACASA-N 1 3 196.338 1.670 20 0 ADADHO C[C@@H]([NH2+]C[C@@H]1CCCN1)C1CCCC1 235188140 487100555 /nfs/dbraw/zinc/10/05/55/487100555.db2.gz DVCPVXDZLWBTEY-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCN1 235071757 487100591 /nfs/dbraw/zinc/10/05/91/487100591.db2.gz JPPFZVQFIUUXNY-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](CC1CC1)NC[C@@H]1CCCC[NH2+]1 235070993 487100663 /nfs/dbraw/zinc/10/06/63/487100663.db2.gz DLZMZYUMHQAKCC-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+]C[C@H]1CCCN1)C1CCCC1 235212505 487100691 /nfs/dbraw/zinc/10/06/91/487100691.db2.gz DVCPVXDZLWBTEY-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](NC[C@H]1CCCC[NH2+]1)C1CCC1 235204355 487100749 /nfs/dbraw/zinc/10/07/49/487100749.db2.gz VNRCRPISNMMJBE-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](CC1CC1)NC[C@H]1CCCC[NH2+]1 235071711 487100785 /nfs/dbraw/zinc/10/07/85/487100785.db2.gz DLZMZYUMHQAKCC-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+]C[C@H]1CCCN1)C1CC1 235212449 487100927 /nfs/dbraw/zinc/10/09/27/487100927.db2.gz FUQQIZIKHSLXDU-PSASIEDQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCN1 235071045 487100993 /nfs/dbraw/zinc/10/09/93/487100993.db2.gz JPPFZVQFIUUXNY-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CCCC[C@H]1NC[C@@H]1CCC[NH2+]1 235272032 487101383 /nfs/dbraw/zinc/10/13/83/487101383.db2.gz UDKYBYCSTYSKBS-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCN1 235272032 487101385 /nfs/dbraw/zinc/10/13/85/487101385.db2.gz UDKYBYCSTYSKBS-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1 235266776 487101567 /nfs/dbraw/zinc/10/15/67/487101567.db2.gz SNJJUIUUBCTKNR-VWYCJHECSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](NC[C@@H]1CCCC[NH2+]1)C1CCC1 235222909 487101608 /nfs/dbraw/zinc/10/16/08/487101608.db2.gz VNRCRPISNMMJBE-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN1 235260806 487101862 /nfs/dbraw/zinc/10/18/62/487101862.db2.gz SNJJUIUUBCTKNR-OUAUKWLOSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](NC[C@@H]1CCCC[NH2+]1)C1CC1 235222885 487102040 /nfs/dbraw/zinc/10/20/40/487102040.db2.gz WNVFNAQXEWRNRW-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN2)C1 235302198 487102140 /nfs/dbraw/zinc/10/21/40/487102140.db2.gz XRYHAGJRUAQOCV-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCNC2)C1 235322066 487103053 /nfs/dbraw/zinc/10/30/53/487103053.db2.gz ITBUYFWLURONLY-IJLUTSLNSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN2)C1 235311680 487103157 /nfs/dbraw/zinc/10/31/57/487103157.db2.gz XRYHAGJRUAQOCV-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](CCc1ccco1)N[C@H](C)C[NH3+] 235458599 487103244 /nfs/dbraw/zinc/10/32/44/487103244.db2.gz OYJUJARDMUJPRC-VHSXEESVSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)CC1 235343755 487103274 /nfs/dbraw/zinc/10/32/74/487103274.db2.gz RAVLUQQVFHYFPY-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCN1 235431391 487103303 /nfs/dbraw/zinc/10/33/03/487103303.db2.gz JPPFZVQFIUUXNY-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](CC1CC1)NC[C@H]1CCCC[NH2+]1 235432165 487103454 /nfs/dbraw/zinc/10/34/54/487103454.db2.gz DLZMZYUMHQAKCC-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](Cc1ccsc1)N[C@H](C)C[NH3+] 235458884 487103527 /nfs/dbraw/zinc/10/35/27/487103527.db2.gz UAPCHGCKPHCAGQ-DTWKUNHWSA-N 1 3 198.335 1.616 20 0 ADADHO C[C@H](CC1CC1)NC[C@@H]1CCCC[NH2+]1 235431342 487103544 /nfs/dbraw/zinc/10/35/44/487103544.db2.gz DLZMZYUMHQAKCC-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](Cc1cccs1)N[C@H](C)C[NH3+] 235458874 487103613 /nfs/dbraw/zinc/10/36/13/487103613.db2.gz DONVIJZLVIOPRZ-DTWKUNHWSA-N 1 3 198.335 1.616 20 0 ADADHO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCN1 235432213 487103741 /nfs/dbraw/zinc/10/37/41/487103741.db2.gz JPPFZVQFIUUXNY-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)CC1 235345075 487103771 /nfs/dbraw/zinc/10/37/71/487103771.db2.gz RAVLUQQVFHYFPY-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+]C[C@H]1CCCN1)C1CCCC1 235515952 487104694 /nfs/dbraw/zinc/10/46/94/487104694.db2.gz DVCPVXDZLWBTEY-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](NC[C@H]1CCCC[NH2+]1)C1CCC1 235509928 487104743 /nfs/dbraw/zinc/10/47/43/487104743.db2.gz VNRCRPISNMMJBE-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](NC[C@@H]1CCCC[NH2+]1)C1CC1 235523586 487104823 /nfs/dbraw/zinc/10/48/23/487104823.db2.gz WNVFNAQXEWRNRW-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]([NH2+]C[C@H]1CCCN1)C1CCC1 235515946 487104842 /nfs/dbraw/zinc/10/48/42/487104842.db2.gz KNISWMAQLSRZAV-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](NC[C@@H]1CCCC[NH2+]1)C1CCC1 235523599 487104860 /nfs/dbraw/zinc/10/48/60/487104860.db2.gz VNRCRPISNMMJBE-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](NC[C@H]1CCCC[NH2+]1)C1CC1 235509914 487104870 /nfs/dbraw/zinc/10/48/70/487104870.db2.gz WNVFNAQXEWRNRW-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](C[NH3+])N[C@H](C)Cc1cccs1 235461744 487104878 /nfs/dbraw/zinc/10/48/78/487104878.db2.gz DONVIJZLVIOPRZ-RKDXNWHRSA-N 1 3 198.335 1.616 20 0 ADADHO C[C@H](C[NH3+])N[C@H](C)CCc1ccco1 235461452 487104906 /nfs/dbraw/zinc/10/49/06/487104906.db2.gz OYJUJARDMUJPRC-NXEZZACHSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@H]([NH2+]C[C@H]1CCCN1)C1CC1 235515938 487105124 /nfs/dbraw/zinc/10/51/24/487105124.db2.gz FUQQIZIKHSLXDU-WCBMZHEXSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H](C[NH3+])N[C@H](C)Cc1ccsc1 235461760 487105151 /nfs/dbraw/zinc/10/51/51/487105151.db2.gz UAPCHGCKPHCAGQ-RKDXNWHRSA-N 1 3 198.335 1.616 20 0 ADADHO C[C@H]([NH2+]C[C@@H]1CCCN1)C1CCCC1 235530353 487106083 /nfs/dbraw/zinc/10/60/83/487106083.db2.gz DVCPVXDZLWBTEY-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+]C[C@@H]1CCCN1)C1CC1 235530332 487106167 /nfs/dbraw/zinc/10/61/67/487106167.db2.gz FUQQIZIKHSLXDU-WPRPVWTQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]([NH2+]C[C@@H]1CCCN1)C1CCC1 235530343 487106211 /nfs/dbraw/zinc/10/62/11/487106211.db2.gz KNISWMAQLSRZAV-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1CCC[C@H](C[NH2+][C@@H]2CCNC2)C1 235645387 487106791 /nfs/dbraw/zinc/10/67/91/487106791.db2.gz ITBUYFWLURONLY-SDDRHHMPSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]1CCC[C@@H](C[NH2+][C@@H]2CCNC2)C1 235623366 487107180 /nfs/dbraw/zinc/10/71/80/487107180.db2.gz ITBUYFWLURONLY-QJPTWQEYSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)=CCC[N@@H+]1CC[C@H](CN)C1 238145846 487108232 /nfs/dbraw/zinc/10/82/32/487108232.db2.gz IGHZPDFZBYJKPU-LLVKDONJSA-N 1 3 182.311 1.623 20 0 ADADHO CC(C)=CCC[N@H+]1CC[C@H](CN)C1 238145846 487108235 /nfs/dbraw/zinc/10/82/35/487108235.db2.gz IGHZPDFZBYJKPU-LLVKDONJSA-N 1 3 182.311 1.623 20 0 ADADHO CC(C)=CCC[N@H+]1CC[C@@H](CN)C1 238145759 487108477 /nfs/dbraw/zinc/10/84/77/487108477.db2.gz IGHZPDFZBYJKPU-NSHDSACASA-N 1 3 182.311 1.623 20 0 ADADHO CC(C)=CCC[N@@H+]1CC[C@@H](CN)C1 238145759 487108473 /nfs/dbraw/zinc/10/84/73/487108473.db2.gz IGHZPDFZBYJKPU-NSHDSACASA-N 1 3 182.311 1.623 20 0 ADADHO CC(C)=CCCN1CCC[C@@H]1C[NH3+] 238145547 487108734 /nfs/dbraw/zinc/10/87/34/487108734.db2.gz BHUJTKHVUYVEKY-LLVKDONJSA-N 1 3 182.311 1.766 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1CN 251155268 487115592 /nfs/dbraw/zinc/11/55/92/487115592.db2.gz MAMKRWVKUQMUHV-GUBZILKMSA-N 1 3 182.311 1.502 20 0 ADADHO CCC[C@H](C)N(C)C[C@H]1CC[NH2+]C1 251301681 487117299 /nfs/dbraw/zinc/11/72/99/487117299.db2.gz JCHINENIWKTVFE-QWRGUYRKSA-N 1 3 184.327 1.716 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN 251155266 487115790 /nfs/dbraw/zinc/11/57/90/487115790.db2.gz MAMKRWVKUQMUHV-AEJSXWLSSA-N 1 3 182.311 1.502 20 0 ADADHO NC[C@@H]1CC[N@H+](CC2CC=CC2)C1 238569852 487109743 /nfs/dbraw/zinc/10/97/43/487109743.db2.gz IREJYQOCNORYFJ-NSHDSACASA-N 1 3 180.295 1.233 20 0 ADADHO NC[C@@H]1CC[N@@H+](CC2CC=CC2)C1 238569852 487109746 /nfs/dbraw/zinc/10/97/46/487109746.db2.gz IREJYQOCNORYFJ-NSHDSACASA-N 1 3 180.295 1.233 20 0 ADADHO [NH3+]C[C@H]1CCCN1CCC1CCCC1 238554023 487109985 /nfs/dbraw/zinc/10/99/85/487109985.db2.gz KEHXDQUJCHDWDU-GFCCVEGCSA-N 1 3 196.338 1.990 20 0 ADADHO NC[C@H]1CC[N@H+](CC2CC=CC2)C1 238569398 487110001 /nfs/dbraw/zinc/11/00/01/487110001.db2.gz IREJYQOCNORYFJ-LLVKDONJSA-N 1 3 180.295 1.233 20 0 ADADHO NC[C@H]1CC[N@@H+](CC2CC=CC2)C1 238569398 487110007 /nfs/dbraw/zinc/11/00/07/487110007.db2.gz IREJYQOCNORYFJ-LLVKDONJSA-N 1 3 180.295 1.233 20 0 ADADHO CCCC[N@@H+]1CCC[C@@H]([C@H](C)N)C1 249901580 487112523 /nfs/dbraw/zinc/11/25/23/487112523.db2.gz WMSSBWBIMSIQSL-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CCCC[N@H+]1CCC[C@@H]([C@H](C)N)C1 249901580 487112527 /nfs/dbraw/zinc/11/25/27/487112527.db2.gz WMSSBWBIMSIQSL-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@@H+]1CC[C@H](N)C[C@H]1C 249912212 487112538 /nfs/dbraw/zinc/11/25/38/487112538.db2.gz YZGVPLUWPCLUHP-MNOVXSKESA-N 1 3 184.327 1.988 20 0 ADADHO CCCCC[N@H+]1CC[C@H](N)C[C@H]1C 249912212 487112541 /nfs/dbraw/zinc/11/25/41/487112541.db2.gz YZGVPLUWPCLUHP-MNOVXSKESA-N 1 3 184.327 1.988 20 0 ADADHO CCCCCN1CC[C@H]([NH3+])C[C@H]1C 249912212 487112543 /nfs/dbraw/zinc/11/25/43/487112543.db2.gz YZGVPLUWPCLUHP-MNOVXSKESA-N 1 3 184.327 1.988 20 0 ADADHO CCCCC[N@@H+]1CC[C@@H](N)C[C@H]1C 249912208 487112651 /nfs/dbraw/zinc/11/26/51/487112651.db2.gz YZGVPLUWPCLUHP-GHMZBOCLSA-N 1 3 184.327 1.988 20 0 ADADHO CCCCC[N@H+]1CC[C@@H](N)C[C@H]1C 249912208 487112653 /nfs/dbraw/zinc/11/26/53/487112653.db2.gz YZGVPLUWPCLUHP-GHMZBOCLSA-N 1 3 184.327 1.988 20 0 ADADHO CCCCCN1CC[C@@H]([NH3+])C[C@H]1C 249912208 487112655 /nfs/dbraw/zinc/11/26/55/487112655.db2.gz YZGVPLUWPCLUHP-GHMZBOCLSA-N 1 3 184.327 1.988 20 0 ADADHO CCCC[N@@H+]1CCC[C@H]([C@H](C)N)C1 249901578 487112679 /nfs/dbraw/zinc/11/26/79/487112679.db2.gz WMSSBWBIMSIQSL-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CCCC[N@H+]1CCC[C@H]([C@H](C)N)C1 249901578 487112685 /nfs/dbraw/zinc/11/26/85/487112685.db2.gz WMSSBWBIMSIQSL-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCO2)C1 250659549 487114022 /nfs/dbraw/zinc/11/40/22/487114022.db2.gz PGVMHKDORNATET-OUAUKWLOSA-N 1 3 198.310 1.025 20 0 ADADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCO2)C1 250659546 487114050 /nfs/dbraw/zinc/11/40/50/487114050.db2.gz PGVMHKDORNATET-GMTAPVOTSA-N 1 3 198.310 1.025 20 0 ADADHO C[C@H](N(C)C[C@H]1CC[NH2+]C1)C(C)(C)C 251026903 487114175 /nfs/dbraw/zinc/11/41/75/487114175.db2.gz GMTZSDFPTPBOQC-QWRGUYRKSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H](N(C)C[C@H]1CC[NH2+]C1)C(C)(C)C 251026902 487114379 /nfs/dbraw/zinc/11/43/79/487114379.db2.gz GMTZSDFPTPBOQC-MNOVXSKESA-N 1 3 198.354 1.962 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN 251197516 487116105 /nfs/dbraw/zinc/11/61/05/487116105.db2.gz UMVODYGDPHYRDB-AXFHLTTASA-N 1 3 196.338 1.892 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN 251197517 487116403 /nfs/dbraw/zinc/11/64/03/487116403.db2.gz UMVODYGDPHYRDB-DCAQKATOSA-N 1 3 196.338 1.892 20 0 ADADHO CC[C@H](C)N[C@@H](C)C[C@H]1CCC[NH2+]1 251380326 487116943 /nfs/dbraw/zinc/11/69/43/487116943.db2.gz SSUGTEAZWXFGTA-GARJFASQSA-N 1 3 184.327 1.905 20 0 ADADHO CC(C)[C@@H](C)N(C)C[C@H]1CC[NH2+]C1 251300403 487116956 /nfs/dbraw/zinc/11/69/56/487116956.db2.gz HXITZCFLOQHYOR-MNOVXSKESA-N 1 3 184.327 1.572 20 0 ADADHO CC(C)[C@H](C)[N@H+](C)C[C@H]1CCCNC1 251358455 487116999 /nfs/dbraw/zinc/11/69/99/487116999.db2.gz UWHBXBAYBHMBQZ-RYUDHWBXSA-N 1 3 198.354 1.962 20 0 ADADHO CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCCNC1 251358455 487117005 /nfs/dbraw/zinc/11/70/05/487117005.db2.gz UWHBXBAYBHMBQZ-RYUDHWBXSA-N 1 3 198.354 1.962 20 0 ADADHO CCC[C@@H](C)N(C)C[C@H]1CC[NH2+]C1 251301679 487117114 /nfs/dbraw/zinc/11/71/14/487117114.db2.gz JCHINENIWKTVFE-MNOVXSKESA-N 1 3 184.327 1.716 20 0 ADADHO CC(C)[C@@H](C)[N@H+](C)C[C@H]1CCCNC1 251358452 487117137 /nfs/dbraw/zinc/11/71/37/487117137.db2.gz UWHBXBAYBHMBQZ-NEPJUHHUSA-N 1 3 198.354 1.962 20 0 ADADHO CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CCCNC1 251358452 487117141 /nfs/dbraw/zinc/11/71/41/487117141.db2.gz UWHBXBAYBHMBQZ-NEPJUHHUSA-N 1 3 198.354 1.962 20 0 ADADHO CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN 251389176 487117219 /nfs/dbraw/zinc/11/72/19/487117219.db2.gz VYTJYMYTPYORND-DCAQKATOSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN 251389544 487117338 /nfs/dbraw/zinc/11/73/38/487117338.db2.gz VYTJYMYTPYORND-GARJFASQSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@H](C)N[C@H](C)C[C@H]1CCC[NH2+]1 251380329 487117380 /nfs/dbraw/zinc/11/73/80/487117380.db2.gz SSUGTEAZWXFGTA-HBNTYKKESA-N 1 3 184.327 1.905 20 0 ADADHO CC(C)[C@H](C)N(C)C[C@H]1CC[NH2+]C1 251300407 487117607 /nfs/dbraw/zinc/11/76/07/487117607.db2.gz HXITZCFLOQHYOR-QWRGUYRKSA-N 1 3 184.327 1.572 20 0 ADADHO CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 251402376 487117918 /nfs/dbraw/zinc/11/79/18/487117918.db2.gz ZIPWDHRNXDFYHC-DCAQKATOSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 251402372 487118037 /nfs/dbraw/zinc/11/80/37/487118037.db2.gz ZIPWDHRNXDFYHC-AXFHLTTASA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CC1 251686122 487119044 /nfs/dbraw/zinc/11/90/44/487119044.db2.gz WDHVUFQSVGWQJR-DLOVCJGASA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CC1 251686125 487119277 /nfs/dbraw/zinc/11/92/77/487119277.db2.gz WDHVUFQSVGWQJR-ZMLRMANQSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CC1 251627883 487119311 /nfs/dbraw/zinc/11/93/11/487119311.db2.gz QXHFRUSESIQXJE-INTQDDNPSA-N 1 3 182.311 1.502 20 0 ADADHO C[C@@H](C1CC1)[N@H+](C)C[C@H]1CCCNC1 251631006 487119409 /nfs/dbraw/zinc/11/94/09/487119409.db2.gz REDAFIKCWZJBGC-QWRGUYRKSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H](C1CC1)[N@@H+](C)C[C@H]1CCCNC1 251631006 487119412 /nfs/dbraw/zinc/11/94/12/487119412.db2.gz REDAFIKCWZJBGC-QWRGUYRKSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H](C1CC1)[N@H+](C)C[C@H]1CCCNC1 251631002 487119526 /nfs/dbraw/zinc/11/95/26/487119526.db2.gz REDAFIKCWZJBGC-MNOVXSKESA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H](C1CC1)[N@@H+](C)C[C@H]1CCCNC1 251631002 487119530 /nfs/dbraw/zinc/11/95/30/487119530.db2.gz REDAFIKCWZJBGC-MNOVXSKESA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H]([NH2+][C@H]1CCC[C@H]1CN)C1CC1 251627886 487119551 /nfs/dbraw/zinc/11/95/51/487119551.db2.gz QXHFRUSESIQXJE-LSJOCFKGSA-N 1 3 182.311 1.502 20 0 ADADHO C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)[C@H](C)C1 251619102 487119615 /nfs/dbraw/zinc/11/96/15/487119615.db2.gz CKSPUKSXQGKTNG-UTUOFQBUSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H]1C[C@@H](C)C[C@H]([NH2+]CCCN)C1 251669289 487119698 /nfs/dbraw/zinc/11/96/98/487119698.db2.gz ABBRAEQLSBAMCO-URLYPYJESA-N 1 3 184.327 1.750 20 0 ADADHO CC[C@H](C)CN(CC)C[C@H]1CC[NH2+]C1 251749319 487120108 /nfs/dbraw/zinc/12/01/08/487120108.db2.gz GUYBVRARIGYMTK-RYUDHWBXSA-N 1 3 198.354 1.964 20 0 ADADHO C[C@H]1C[C@@H]([NH2+][C@H]2CCNC2)CC[C@H]1C 251842912 487120147 /nfs/dbraw/zinc/12/01/47/487120147.db2.gz OIVCMDPJYMFWID-RHYQMDGZSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]1C[N@H+](CC2CCC2)CC[C@H]1N 251812871 487120168 /nfs/dbraw/zinc/12/01/68/487120168.db2.gz OSTYIDDEJUWLPX-NWDGAFQWSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@H]1C[N@@H+](CC2CCC2)CC[C@H]1N 251812871 487120173 /nfs/dbraw/zinc/12/01/73/487120173.db2.gz OSTYIDDEJUWLPX-NWDGAFQWSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@H]1CN(CC2CCC2)CC[C@H]1[NH3+] 251812871 487120176 /nfs/dbraw/zinc/12/01/76/487120176.db2.gz OSTYIDDEJUWLPX-NWDGAFQWSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H](C)[N@H+](C)C[C@H]1CCCNC1 251764292 487120341 /nfs/dbraw/zinc/12/03/41/487120341.db2.gz HVYCVWBFIAYVFK-MNOVXSKESA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H](C)[N@@H+](C)C[C@H]1CCCNC1 251764292 487120344 /nfs/dbraw/zinc/12/03/44/487120344.db2.gz HVYCVWBFIAYVFK-MNOVXSKESA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CN 251844016 487120469 /nfs/dbraw/zinc/12/04/69/487120469.db2.gz LXBHOXDTOWIRNZ-GARJFASQSA-N 1 3 184.327 1.750 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCNC1 251932150 487120488 /nfs/dbraw/zinc/12/04/88/487120488.db2.gz RLTXLWDDLHLQPY-GUBZILKMSA-N 1 3 170.300 1.373 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@@H](N)[C@H](C)C1 251750236 487120499 /nfs/dbraw/zinc/12/04/99/487120499.db2.gz GVXRJRMTWIRHML-HBNTYKKESA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@@H](N)[C@H](C)C1 251750236 487120502 /nfs/dbraw/zinc/12/05/02/487120502.db2.gz GVXRJRMTWIRHML-HBNTYKKESA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)CN1CC[C@@H]([NH3+])[C@H](C)C1 251750236 487120505 /nfs/dbraw/zinc/12/05/05/487120505.db2.gz GVXRJRMTWIRHML-HBNTYKKESA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@H](N)[C@@H](C)C1 251750234 487120596 /nfs/dbraw/zinc/12/05/96/487120596.db2.gz GVXRJRMTWIRHML-DCAQKATOSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@H](N)[C@@H](C)C1 251750234 487120601 /nfs/dbraw/zinc/12/06/01/487120601.db2.gz GVXRJRMTWIRHML-DCAQKATOSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)CN1CC[C@H]([NH3+])[C@@H](C)C1 251750234 487120605 /nfs/dbraw/zinc/12/06/05/487120605.db2.gz GVXRJRMTWIRHML-DCAQKATOSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@@H](C)CN(CC)C[C@H]1CC[NH2+]C1 251749317 487120680 /nfs/dbraw/zinc/12/06/80/487120680.db2.gz GUYBVRARIGYMTK-NEPJUHHUSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@@H]1C[N@H+](CC2CCC2)CC[C@H]1N 251812875 487120696 /nfs/dbraw/zinc/12/06/96/487120696.db2.gz OSTYIDDEJUWLPX-VXGBXAGGSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H]1C[N@@H+](CC2CCC2)CC[C@H]1N 251812875 487120700 /nfs/dbraw/zinc/12/07/00/487120700.db2.gz OSTYIDDEJUWLPX-VXGBXAGGSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H]1CN(CC2CCC2)CC[C@H]1[NH3+] 251812875 487120703 /nfs/dbraw/zinc/12/07/03/487120703.db2.gz OSTYIDDEJUWLPX-VXGBXAGGSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC2)C[C@H]1C 251842914 487121011 /nfs/dbraw/zinc/12/10/11/487121011.db2.gz OIVCMDPJYMFWID-WYUUTHIRSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCNC1 251932148 487121103 /nfs/dbraw/zinc/12/11/03/487121103.db2.gz RLTXLWDDLHLQPY-AEJSXWLSSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC2)[C@@H]1C 251920781 487121127 /nfs/dbraw/zinc/12/11/27/487121127.db2.gz UPZLLRKPULOMHB-WYUUTHIRSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](C)[N@H+](C)C[C@H]1CCCNC1 251764295 487121183 /nfs/dbraw/zinc/12/11/83/487121183.db2.gz HVYCVWBFIAYVFK-QWRGUYRKSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@H](C)[N@@H+](C)C[C@H]1CCCNC1 251764295 487121187 /nfs/dbraw/zinc/12/11/87/487121187.db2.gz HVYCVWBFIAYVFK-QWRGUYRKSA-N 1 3 184.327 1.716 20 0 ADADHO C[C@@H]1[C@@H]([NH2+][C@H]2CCNC2)CCC[C@H]1C 251920780 487121209 /nfs/dbraw/zinc/12/12/09/487121209.db2.gz UPZLLRKPULOMHB-RHYQMDGZSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC1 251925743 487121238 /nfs/dbraw/zinc/12/12/38/487121238.db2.gz YUJIHQASICKFNZ-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H](C)C[NH2+][C@H]1CCC[C@H]1CN 251844014 487121269 /nfs/dbraw/zinc/12/12/69/487121269.db2.gz LXBHOXDTOWIRNZ-DCAQKATOSA-N 1 3 184.327 1.750 20 0 ADADHO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1 251925742 487121292 /nfs/dbraw/zinc/12/12/92/487121292.db2.gz YUJIHQASICKFNZ-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H](C)CN(C)C[C@H]1CC[NH2+]C1 251935575 487121671 /nfs/dbraw/zinc/12/16/71/487121671.db2.gz RWKOBOBUPWHJHT-MNOVXSKESA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@H](C)CN(C)C[C@H]1CC[NH2+]C1 251935577 487121705 /nfs/dbraw/zinc/12/17/05/487121705.db2.gz RWKOBOBUPWHJHT-QWRGUYRKSA-N 1 3 184.327 1.574 20 0 ADADHO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCNC1 252134296 487122001 /nfs/dbraw/zinc/12/20/01/487122001.db2.gz LGONDIROOLAWST-WOPDTQHZSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@H]2CCNC2)C1 252137284 487122226 /nfs/dbraw/zinc/12/22/26/487122226.db2.gz MRTJMTGHHVXQIN-WHOHXGKFSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCNC1 252134295 487122325 /nfs/dbraw/zinc/12/23/25/487122325.db2.gz LGONDIROOLAWST-UTUOFQBUSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@H](C)N(CC)C[C@H]1CC[NH2+]C1 251961449 487122374 /nfs/dbraw/zinc/12/23/74/487122374.db2.gz VRXLDAVSZIJAPU-QWRGUYRKSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H](C)N(CC)C[C@H]1CC[NH2+]C1 251961447 487122397 /nfs/dbraw/zinc/12/23/97/487122397.db2.gz VRXLDAVSZIJAPU-MNOVXSKESA-N 1 3 184.327 1.716 20 0 ADADHO C[C@H]1CC([NH2+][C@H]2CCNC2)C[C@H](C)C1 252137283 487122468 /nfs/dbraw/zinc/12/24/68/487122468.db2.gz MRTJMTGHHVXQIN-MXWKQRLJSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1C[C@H]1C 252142942 487122789 /nfs/dbraw/zinc/12/27/89/487122789.db2.gz NMALXKZFXCQGEV-IJLUTSLNSA-N 1 3 198.354 1.948 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCNC1 252198675 487122817 /nfs/dbraw/zinc/12/28/17/487122817.db2.gz SUERVAFEZGSQIK-GRYCIOLGSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1C[C@H]1C 252142941 487123348 /nfs/dbraw/zinc/12/33/48/487123348.db2.gz NMALXKZFXCQGEV-GRYCIOLGSA-N 1 3 198.354 1.948 20 0 ADADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1C[C@@H]1C 252142944 487123412 /nfs/dbraw/zinc/12/34/12/487123412.db2.gz NMALXKZFXCQGEV-QJPTWQEYSA-N 1 3 198.354 1.948 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCNC1 252198676 487123439 /nfs/dbraw/zinc/12/34/39/487123439.db2.gz SUERVAFEZGSQIK-WOPDTQHZSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@@H](C)C[N@H+](C)C[C@H]1CCCNC1 252435778 487124164 /nfs/dbraw/zinc/12/41/64/487124164.db2.gz LGSKNOJYBMXWGY-NEPJUHHUSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCNC1 252435778 487124168 /nfs/dbraw/zinc/12/41/68/487124168.db2.gz LGSKNOJYBMXWGY-NEPJUHHUSA-N 1 3 198.354 1.964 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC2)[C@H](C)C1 252216927 487124225 /nfs/dbraw/zinc/12/42/25/487124225.db2.gz ZKVWULVLUGKKST-WYUUTHIRSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCNC1 252216926 487124395 /nfs/dbraw/zinc/12/43/95/487124395.db2.gz ZKVWULVLUGKKST-RHYQMDGZSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](C)C[N@H+](C)C[C@H]1CCCNC1 252435779 487124415 /nfs/dbraw/zinc/12/44/15/487124415.db2.gz LGSKNOJYBMXWGY-RYUDHWBXSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@H](C)C[N@@H+](C)C[C@H]1CCCNC1 252435779 487124417 /nfs/dbraw/zinc/12/44/17/487124417.db2.gz LGSKNOJYBMXWGY-RYUDHWBXSA-N 1 3 198.354 1.964 20 0 ADADHO Cc1c[nH+]ccc1N(C)CCN(C)C 684574669 487124685 /nfs/dbraw/zinc/12/46/85/487124685.db2.gz MGNXWDSCCKZTFF-UHFFFAOYSA-N 1 3 193.294 1.388 20 0 ADADHO C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CCCNC2)C1 252686685 487125365 /nfs/dbraw/zinc/12/53/65/487125365.db2.gz KDQZVHIZUWXLBD-UTUOFQBUSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CCCNC2)C1 252686685 487125369 /nfs/dbraw/zinc/12/53/69/487125369.db2.gz KDQZVHIZUWXLBD-UTUOFQBUSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCCNC1 252686686 487125436 /nfs/dbraw/zinc/12/54/36/487125436.db2.gz KDQZVHIZUWXLBD-WOPDTQHZSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CCCNC1 252686686 487125437 /nfs/dbraw/zinc/12/54/37/487125437.db2.gz KDQZVHIZUWXLBD-WOPDTQHZSA-N 1 3 196.338 1.716 20 0 ADADHO CCCCC[N@@H+]1C[C@@H](CN)C[C@H]1C 252697624 487126162 /nfs/dbraw/zinc/12/61/62/487126162.db2.gz ILPFTGVKDDKZSK-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@H+]1C[C@@H](CN)C[C@H]1C 252697624 487126164 /nfs/dbraw/zinc/12/61/64/487126164.db2.gz ILPFTGVKDDKZSK-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CC[C@H](C)C[N@@H+]1C[C@@H](CN)C[C@H]1C 252697800 487126220 /nfs/dbraw/zinc/12/62/20/487126220.db2.gz JMLRZNLLJORRML-HBNTYKKESA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@H+]1C[C@@H](CN)C[C@H]1C 252697800 487126225 /nfs/dbraw/zinc/12/62/25/487126225.db2.gz JMLRZNLLJORRML-HBNTYKKESA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@@H+]1C[C@H](CN)C[C@H]1C 252697799 487126503 /nfs/dbraw/zinc/12/65/03/487126503.db2.gz JMLRZNLLJORRML-AXFHLTTASA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@H+]1C[C@H](CN)C[C@H]1C 252697799 487126506 /nfs/dbraw/zinc/12/65/06/487126506.db2.gz JMLRZNLLJORRML-AXFHLTTASA-N 1 3 184.327 1.702 20 0 ADADHO CCCC[N@@H+]1C[C@@H](CN)C[C@H]1C 252699862 487126546 /nfs/dbraw/zinc/12/65/46/487126546.db2.gz WPPAXPRIJAQYBB-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCC[N@H+]1C[C@@H](CN)C[C@H]1C 252699862 487126548 /nfs/dbraw/zinc/12/65/48/487126548.db2.gz WPPAXPRIJAQYBB-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCCC[N@@H+]1C[C@H](CN)C[C@H]1C 252697625 487126566 /nfs/dbraw/zinc/12/65/66/487126566.db2.gz ILPFTGVKDDKZSK-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@H+]1C[C@H](CN)C[C@H]1C 252697625 487126569 /nfs/dbraw/zinc/12/65/69/487126569.db2.gz ILPFTGVKDDKZSK-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO C[C@H](NC[C@H](C)C[NH3+])c1ccccc1 258819612 487136089 /nfs/dbraw/zinc/13/60/89/487136089.db2.gz UZNBZXGHISZIDZ-MNOVXSKESA-N 1 3 192.306 1.932 20 0 ADADHO CCCC[N@@H+]1C[C@H](CN)C[C@H]1C 252699863 487126796 /nfs/dbraw/zinc/12/67/96/487126796.db2.gz WPPAXPRIJAQYBB-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CCCC[N@H+]1C[C@H](CN)C[C@H]1C 252699863 487126800 /nfs/dbraw/zinc/12/68/00/487126800.db2.gz WPPAXPRIJAQYBB-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@@H]1OCC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 252744391 487127743 /nfs/dbraw/zinc/12/77/43/487127743.db2.gz NNBURUSNJXVKQH-VLEAKVRGSA-N 1 3 198.310 1.023 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@@H]([C@H](C)N)C1 252789418 487127828 /nfs/dbraw/zinc/12/78/28/487127828.db2.gz XVSXDGYOQUOTRW-GARJFASQSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@@H]([C@H](C)N)C1 252789418 487127835 /nfs/dbraw/zinc/12/78/35/487127835.db2.gz XVSXDGYOQUOTRW-GARJFASQSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@H]([C@H](C)N)C1 252789416 487127877 /nfs/dbraw/zinc/12/78/77/487127877.db2.gz XVSXDGYOQUOTRW-DCAQKATOSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@H]([C@H](C)N)C1 252789416 487127880 /nfs/dbraw/zinc/12/78/80/487127880.db2.gz XVSXDGYOQUOTRW-DCAQKATOSA-N 1 3 184.327 1.702 20 0 ADADHO C[C@@H]1OCC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 252744390 487127889 /nfs/dbraw/zinc/12/78/89/487127889.db2.gz NNBURUSNJXVKQH-NAKRPEOUSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CN 252947844 487129167 /nfs/dbraw/zinc/12/91/67/487129167.db2.gz AQJMVYJSBZYWKK-KXNHARMFSA-N 1 3 196.338 1.750 20 0 ADADHO CNC[C@@H]1CC[N@H+](C[C@H]2C[C@H]2C)C1 252959743 487129221 /nfs/dbraw/zinc/12/92/21/487129221.db2.gz MKZINSNVGULXOA-OUAUKWLOSA-N 1 3 182.311 1.184 20 0 ADADHO CNC[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 252959743 487129223 /nfs/dbraw/zinc/12/92/23/487129223.db2.gz MKZINSNVGULXOA-OUAUKWLOSA-N 1 3 182.311 1.184 20 0 ADADHO C[NH2+]C[C@@H]1CCN(C[C@H]2C[C@H]2C)C1 252959743 487129228 /nfs/dbraw/zinc/12/92/28/487129228.db2.gz MKZINSNVGULXOA-OUAUKWLOSA-N 1 3 182.311 1.184 20 0 ADADHO C[C@H]1C[N@H+](CCC2CCC2)CC[C@H]1N 252930271 487129267 /nfs/dbraw/zinc/12/92/67/487129267.db2.gz AIXDMBBANZEDPP-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[N@@H+](CCC2CCC2)CC[C@H]1N 252930271 487129268 /nfs/dbraw/zinc/12/92/68/487129268.db2.gz AIXDMBBANZEDPP-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CN(CCC2CCC2)CC[C@H]1[NH3+] 252930271 487129271 /nfs/dbraw/zinc/12/92/71/487129271.db2.gz AIXDMBBANZEDPP-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCNCC1 252956555 487129278 /nfs/dbraw/zinc/12/92/78/487129278.db2.gz JQDBGNJGGORQIX-VWYCJHECSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)C1CC1 252912546 487129302 /nfs/dbraw/zinc/12/93/02/487129302.db2.gz KYICYMAVOCPZQD-USWWRNFRSA-N 1 3 196.338 1.750 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCNCC1 252956554 487129330 /nfs/dbraw/zinc/12/93/30/487129330.db2.gz JQDBGNJGGORQIX-MXWKQRLJSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)C1CC1 252912545 487129357 /nfs/dbraw/zinc/12/93/57/487129357.db2.gz KYICYMAVOCPZQD-ADEWGFFLSA-N 1 3 196.338 1.750 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@H](N)C1 252959390 487129427 /nfs/dbraw/zinc/12/94/27/487129427.db2.gz MEWXLLQSWWPHSO-ZNSHCXBVSA-N 1 3 182.311 1.502 20 0 ADADHO C[C@@H]1C[N@H+](CCC2CCC2)CC[C@H]1N 252930272 487129436 /nfs/dbraw/zinc/12/94/36/487129436.db2.gz AIXDMBBANZEDPP-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[N@@H+](CCC2CCC2)CC[C@H]1N 252930272 487129437 /nfs/dbraw/zinc/12/94/37/487129437.db2.gz AIXDMBBANZEDPP-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CN(CCC2CCC2)CC[C@H]1[NH3+] 252930272 487129441 /nfs/dbraw/zinc/12/94/41/487129441.db2.gz AIXDMBBANZEDPP-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CN 252959824 487129467 /nfs/dbraw/zinc/12/94/67/487129467.db2.gz MPLLRBLHAIIZHU-LMLFDSFASA-N 1 3 182.311 1.359 20 0 ADADHO CNC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C1 252959745 487129477 /nfs/dbraw/zinc/12/94/77/487129477.db2.gz MKZINSNVGULXOA-VWYCJHECSA-N 1 3 182.311 1.184 20 0 ADADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 252959745 487129481 /nfs/dbraw/zinc/12/94/81/487129481.db2.gz MKZINSNVGULXOA-VWYCJHECSA-N 1 3 182.311 1.184 20 0 ADADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2C[C@H]2C)C1 252959745 487129485 /nfs/dbraw/zinc/12/94/85/487129485.db2.gz MKZINSNVGULXOA-VWYCJHECSA-N 1 3 182.311 1.184 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CN 252959823 487129503 /nfs/dbraw/zinc/12/95/03/487129503.db2.gz MPLLRBLHAIIZHU-DBIOUOCHSA-N 1 3 182.311 1.359 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@@H](N)C1 252959389 487129521 /nfs/dbraw/zinc/12/95/21/487129521.db2.gz MEWXLLQSWWPHSO-DBIOUOCHSA-N 1 3 182.311 1.502 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1CN 252947846 487129525 /nfs/dbraw/zinc/12/95/25/487129525.db2.gz AQJMVYJSBZYWKK-WRWGMCAJSA-N 1 3 196.338 1.750 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@H]1CN 252959825 487129530 /nfs/dbraw/zinc/12/95/30/487129530.db2.gz MPLLRBLHAIIZHU-YTWAJWBKSA-N 1 3 182.311 1.359 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1CN 252947843 487129570 /nfs/dbraw/zinc/12/95/70/487129570.db2.gz AQJMVYJSBZYWKK-KKOKHZNYSA-N 1 3 196.338 1.750 20 0 ADADHO CNC[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2C)C1 252959741 487129596 /nfs/dbraw/zinc/12/95/96/487129596.db2.gz MKZINSNVGULXOA-GARJFASQSA-N 1 3 182.311 1.184 20 0 ADADHO CNC[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C)C1 252959741 487129600 /nfs/dbraw/zinc/12/96/00/487129600.db2.gz MKZINSNVGULXOA-GARJFASQSA-N 1 3 182.311 1.184 20 0 ADADHO C[NH2+]C[C@@H]1CCN(C[C@H]2C[C@@H]2C)C1 252959741 487129602 /nfs/dbraw/zinc/12/96/02/487129602.db2.gz MKZINSNVGULXOA-GARJFASQSA-N 1 3 182.311 1.184 20 0 ADADHO C[C@@H]1C[C@@H]1CNC[C@H]1CCCC[NH2+]1 252969554 487130026 /nfs/dbraw/zinc/13/00/26/487130026.db2.gz WDJIAVGDVCMIHG-GMTAPVOTSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCNC1 252966178 487130244 /nfs/dbraw/zinc/13/02/44/487130244.db2.gz SKWODSXNPBXRTF-VWYCJHECSA-N 1 3 182.311 1.232 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCNC1 252966177 487130452 /nfs/dbraw/zinc/13/04/52/487130452.db2.gz SKWODSXNPBXRTF-OUAUKWLOSA-N 1 3 182.311 1.232 20 0 ADADHO C[C@@H]1C[C@H]1CNC[C@H]1CCCC[NH2+]1 252969555 487130634 /nfs/dbraw/zinc/13/06/34/487130634.db2.gz WDJIAVGDVCMIHG-OUAUKWLOSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 253259908 487132354 /nfs/dbraw/zinc/13/23/54/487132354.db2.gz HPZNYEXMFPBCKI-WYUUTHIRSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@@H]1CCN(CCCF)C[C@H]1C[NH3+] 253201278 487132368 /nfs/dbraw/zinc/13/23/68/487132368.db2.gz XUOMWGPGFKTCJH-NXEZZACHSA-N 1 3 188.290 1.263 20 0 ADADHO C[C@@H]1CC[N@H+](CCCF)C[C@H]1CN 253201278 487132369 /nfs/dbraw/zinc/13/23/69/487132369.db2.gz XUOMWGPGFKTCJH-NXEZZACHSA-N 1 3 188.290 1.263 20 0 ADADHO C[C@@H]1CC[N@@H+](CCCF)C[C@H]1CN 253201278 487132373 /nfs/dbraw/zinc/13/23/73/487132373.db2.gz XUOMWGPGFKTCJH-NXEZZACHSA-N 1 3 188.290 1.263 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 253229577 487132385 /nfs/dbraw/zinc/13/23/85/487132385.db2.gz LJDQWZMIEKBGJN-QJPTWQEYSA-N 1 3 198.354 1.949 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](CN)C1 253229577 487132389 /nfs/dbraw/zinc/13/23/89/487132389.db2.gz LJDQWZMIEKBGJN-QJPTWQEYSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 253206523 487132423 /nfs/dbraw/zinc/13/24/23/487132423.db2.gz GJPJKWXGVBRHKL-VXGBXAGGSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)CC[N@H+]1CC[C@@H](C)[C@H](CN)C1 253206523 487132427 /nfs/dbraw/zinc/13/24/27/487132427.db2.gz GJPJKWXGVBRHKL-VXGBXAGGSA-N 1 3 198.354 1.949 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 253259905 487132566 /nfs/dbraw/zinc/13/25/66/487132566.db2.gz HPZNYEXMFPBCKI-NOOOWODRSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@H](C)[C@H](CN)C1 253206522 487132703 /nfs/dbraw/zinc/13/27/03/487132703.db2.gz GJPJKWXGVBRHKL-NWDGAFQWSA-N 1 3 198.354 1.949 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H](CN)C1 253229578 487132657 /nfs/dbraw/zinc/13/26/57/487132657.db2.gz LJDQWZMIEKBGJN-SRVKXCTJSA-N 1 3 198.354 1.949 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](CN)C1 253229578 487132659 /nfs/dbraw/zinc/13/26/59/487132659.db2.gz LJDQWZMIEKBGJN-SRVKXCTJSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)CC[N@H+]1CC[C@H](C)[C@H](CN)C1 253206522 487132707 /nfs/dbraw/zinc/13/27/07/487132707.db2.gz GJPJKWXGVBRHKL-NWDGAFQWSA-N 1 3 198.354 1.949 20 0 ADADHO C[C@H]1CC[C@@H]([NH2+]C[C@H](C)CN)C1 253284335 487132729 /nfs/dbraw/zinc/13/27/29/487132729.db2.gz MUKOPDYFZSTODM-IVZWLZJFSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@H]1CC[C@H]([NH2+]C[C@H](C)CN)C1 253284334 487132771 /nfs/dbraw/zinc/13/27/71/487132771.db2.gz MUKOPDYFZSTODM-AEJSXWLSSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCNCC2)C1 253199159 487132793 /nfs/dbraw/zinc/13/27/93/487132793.db2.gz AMANJTILYPSCNE-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CCN(CCCF)C[C@H]1C[NH3+] 253201279 487132835 /nfs/dbraw/zinc/13/28/35/487132835.db2.gz XUOMWGPGFKTCJH-VHSXEESVSA-N 1 3 188.290 1.263 20 0 ADADHO C[C@H]1CC[N@H+](CCCF)C[C@H]1CN 253201279 487132840 /nfs/dbraw/zinc/13/28/40/487132840.db2.gz XUOMWGPGFKTCJH-VHSXEESVSA-N 1 3 188.290 1.263 20 0 ADADHO C[C@H]1CC[N@@H+](CCCF)C[C@H]1CN 253201279 487132843 /nfs/dbraw/zinc/13/28/43/487132843.db2.gz XUOMWGPGFKTCJH-VHSXEESVSA-N 1 3 188.290 1.263 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 253259907 487132897 /nfs/dbraw/zinc/13/28/97/487132897.db2.gz HPZNYEXMFPBCKI-RHYQMDGZSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCNCC2)C1 253199162 487132906 /nfs/dbraw/zinc/13/29/06/487132906.db2.gz AMANJTILYPSCNE-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO Cc1ccccc1C[NH2+]CC(C)(C)N 258715497 487134621 /nfs/dbraw/zinc/13/46/21/487134621.db2.gz DCBNLJYHRLXUDP-UHFFFAOYSA-N 1 3 192.306 1.822 20 0 ADADHO CC(C)CCC[NH2+]C[C@@H](C)CN 258767621 487134649 /nfs/dbraw/zinc/13/46/49/487134649.db2.gz NUZAEWHMROHHPI-JTQLQIEISA-N 1 3 172.316 1.607 20 0 ADADHO Cc1cccc(CNC[C@H](C)C[NH3+])c1 258690186 487134799 /nfs/dbraw/zinc/13/47/99/487134799.db2.gz FUNKDDVMUNUABO-LLVKDONJSA-N 1 3 192.306 1.679 20 0 ADADHO Cc1ccccc1CNC[C@@H](C)C[NH3+] 258677888 487134884 /nfs/dbraw/zinc/13/48/84/487134884.db2.gz DPKRCMLTNNKPRR-JTQLQIEISA-N 1 3 192.306 1.679 20 0 ADADHO C[N@H+](CCCN)CCC1CCC1 258741840 487134820 /nfs/dbraw/zinc/13/48/20/487134820.db2.gz LCOMISHTROXIDE-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO C[N@@H+](CCCN)CCC1CCC1 258741840 487134822 /nfs/dbraw/zinc/13/48/22/487134822.db2.gz LCOMISHTROXIDE-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CN(CCC[NH3+])CCC1CCC1 258741840 487134824 /nfs/dbraw/zinc/13/48/24/487134824.db2.gz LCOMISHTROXIDE-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO Cc1cccc(CNC[C@@H](C)C[NH3+])c1 258690189 487134922 /nfs/dbraw/zinc/13/49/22/487134922.db2.gz FUNKDDVMUNUABO-NSHDSACASA-N 1 3 192.306 1.679 20 0 ADADHO C[C@@H](CN)C[NH2+]CC1CCCCC1 258753394 487135006 /nfs/dbraw/zinc/13/50/06/487135006.db2.gz MIJKZJVCASYGBR-JTQLQIEISA-N 1 3 184.327 1.751 20 0 ADADHO CC(C)CCC[NH2+]C[C@H](C)CN 258767622 487135024 /nfs/dbraw/zinc/13/50/24/487135024.db2.gz NUZAEWHMROHHPI-SNVBAGLBSA-N 1 3 172.316 1.607 20 0 ADADHO C[NH2+]CCCN(C)CCC1CCC1 258724832 487135066 /nfs/dbraw/zinc/13/50/66/487135066.db2.gz JFXDVXYOLFGQTN-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[N@H+](C)CCC1CCC1 258724832 487135070 /nfs/dbraw/zinc/13/50/70/487135070.db2.gz JFXDVXYOLFGQTN-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[N@@H+](C)CCC1CCC1 258724832 487135074 /nfs/dbraw/zinc/13/50/74/487135074.db2.gz JFXDVXYOLFGQTN-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO C[C@@H](CN)C[NH2+]CCC(C)(C)C 258694331 487135081 /nfs/dbraw/zinc/13/50/81/487135081.db2.gz GFGSYOQEEZGTNM-VIFPVBQESA-N 1 3 172.316 1.607 20 0 ADADHO Cc1ccccc1CNC[C@H](C)C[NH3+] 258677892 487135088 /nfs/dbraw/zinc/13/50/88/487135088.db2.gz DPKRCMLTNNKPRR-SNVBAGLBSA-N 1 3 192.306 1.679 20 0 ADADHO C[C@H](CN)C[NH2+]CCC(C)(C)C 258694330 487135130 /nfs/dbraw/zinc/13/51/30/487135130.db2.gz GFGSYOQEEZGTNM-SECBINFHSA-N 1 3 172.316 1.607 20 0 ADADHO C[C@H](CN)C[NH2+]CC1CCCCC1 258753396 487135164 /nfs/dbraw/zinc/13/51/64/487135164.db2.gz MIJKZJVCASYGBR-SNVBAGLBSA-N 1 3 184.327 1.751 20 0 ADADHO C[C@@H](C[NH3+])CN[C@H](C)c1ccccc1 258819617 487135518 /nfs/dbraw/zinc/13/55/18/487135518.db2.gz UZNBZXGHISZIDZ-WDEREUQCSA-N 1 3 192.306 1.932 20 0 ADADHO C[C@H](C[NH3+])CNCc1ccc(F)cc1 258860533 487135713 /nfs/dbraw/zinc/13/57/13/487135713.db2.gz YMBCOUGEAHLOGN-SECBINFHSA-N 1 3 196.269 1.510 20 0 ADADHO C[C@@H](C[NH3+])CNCc1cccc(F)c1 258805182 487135889 /nfs/dbraw/zinc/13/58/89/487135889.db2.gz RVCYAVBEECCMLL-VIFPVBQESA-N 1 3 196.269 1.510 20 0 ADADHO C[N@H+](CCCN)CCC1CCCC1 258774143 487135969 /nfs/dbraw/zinc/13/59/69/487135969.db2.gz OLGLQNKYDUHWDS-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO C[N@@H+](CCCN)CCC1CCCC1 258774143 487135974 /nfs/dbraw/zinc/13/59/74/487135974.db2.gz OLGLQNKYDUHWDS-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO CN(CCC[NH3+])CCC1CCCC1 258774143 487135976 /nfs/dbraw/zinc/13/59/76/487135976.db2.gz OLGLQNKYDUHWDS-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO C[C@H](C[NH3+])CNCc1cccc(F)c1 258805181 487135982 /nfs/dbraw/zinc/13/59/82/487135982.db2.gz RVCYAVBEECCMLL-SECBINFHSA-N 1 3 196.269 1.510 20 0 ADADHO Cc1ccc(CNC[C@@H](C)C[NH3+])cc1 258873171 487136040 /nfs/dbraw/zinc/13/60/40/487136040.db2.gz ZVAKDNRDAUOOKC-NSHDSACASA-N 1 3 192.306 1.679 20 0 ADADHO Cc1ccc(CNC[C@H](C)C[NH3+])cc1 258873169 487136097 /nfs/dbraw/zinc/13/60/97/487136097.db2.gz ZVAKDNRDAUOOKC-LLVKDONJSA-N 1 3 192.306 1.679 20 0 ADADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccccc1 258819615 487136130 /nfs/dbraw/zinc/13/61/30/487136130.db2.gz UZNBZXGHISZIDZ-QWRGUYRKSA-N 1 3 192.306 1.932 20 0 ADADHO C[C@H](C[NH3+])CN[C@H](C)c1ccccc1 258819611 487136234 /nfs/dbraw/zinc/13/62/34/487136234.db2.gz UZNBZXGHISZIDZ-GHMZBOCLSA-N 1 3 192.306 1.932 20 0 ADADHO C[C@@H](C[NH3+])CNCc1ccc(F)cc1 258860534 487136289 /nfs/dbraw/zinc/13/62/89/487136289.db2.gz YMBCOUGEAHLOGN-VIFPVBQESA-N 1 3 196.269 1.510 20 0 ADADHO CN(CCC(C)(C)C)C[C@@H]1CC[NH2+]C1 258954412 487137093 /nfs/dbraw/zinc/13/70/93/487137093.db2.gz RQQKBBXJOBPXQU-LLVKDONJSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)([NH3+])CNCCc1cccs1 258913976 487137245 /nfs/dbraw/zinc/13/72/45/487137245.db2.gz SYNMHNYSLLUJGW-UHFFFAOYSA-N 1 3 198.335 1.618 20 0 ADADHO CN(CCC(C)(C)C)C[C@H]1CC[NH2+]C1 258954413 487137330 /nfs/dbraw/zinc/13/73/30/487137330.db2.gz RQQKBBXJOBPXQU-NSHDSACASA-N 1 3 198.354 1.964 20 0 ADADHO Cc1cccc(C[NH2+]CC(C)(C)N)c1 258972071 487137339 /nfs/dbraw/zinc/13/73/39/487137339.db2.gz YVYIGHJONMAKHF-UHFFFAOYSA-N 1 3 192.306 1.822 20 0 ADADHO CN(CCC1CCC1)C1CC[NH2+]CC1 259218090 487138283 /nfs/dbraw/zinc/13/82/83/487138283.db2.gz XMDRONGCHBOOFJ-UHFFFAOYSA-N 1 3 196.338 1.860 20 0 ADADHO C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[NH2+]1 300057940 487141444 /nfs/dbraw/zinc/14/14/44/487141444.db2.gz UDKYBYCSTYSKBS-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCN1 300057940 487141447 /nfs/dbraw/zinc/14/14/47/487141447.db2.gz UDKYBYCSTYSKBS-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCCC[C@H]1NC[C@H]1CCC[NH2+]1 300057938 487141510 /nfs/dbraw/zinc/14/15/10/487141510.db2.gz UDKYBYCSTYSKBS-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN1 300057938 487141516 /nfs/dbraw/zinc/14/15/16/487141516.db2.gz UDKYBYCSTYSKBS-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1 300057847 487141614 /nfs/dbraw/zinc/14/16/14/487141614.db2.gz SNJJUIUUBCTKNR-GMTAPVOTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1 300057848 487141730 /nfs/dbraw/zinc/14/17/30/487141730.db2.gz SNJJUIUUBCTKNR-MXWKQRLJSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[NH2+]1 300057939 487141779 /nfs/dbraw/zinc/14/17/79/487141779.db2.gz UDKYBYCSTYSKBS-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN1 300057939 487141783 /nfs/dbraw/zinc/14/17/83/487141783.db2.gz UDKYBYCSTYSKBS-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNC2)C1 300361848 487142761 /nfs/dbraw/zinc/14/27/61/487142761.db2.gz ITBUYFWLURONLY-WOPDTQHZSA-N 1 3 196.338 1.764 20 0 ADADHO CCC[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 300349062 487142827 /nfs/dbraw/zinc/14/28/27/487142827.db2.gz PRNGPHLYFXPFJB-AXFHLTTASA-N 1 3 184.327 1.905 20 0 ADADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN2)C1 300058492 487142883 /nfs/dbraw/zinc/14/28/83/487142883.db2.gz XRYHAGJRUAQOCV-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO CCC[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 300349063 487142891 /nfs/dbraw/zinc/14/28/91/487142891.db2.gz PRNGPHLYFXPFJB-HBNTYKKESA-N 1 3 184.327 1.905 20 0 ADADHO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCNC2)C1 300361845 487142914 /nfs/dbraw/zinc/14/29/14/487142914.db2.gz ITBUYFWLURONLY-UTUOFQBUSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN2)C1 300058593 487143012 /nfs/dbraw/zinc/14/30/12/487143012.db2.gz XRYHAGJRUAQOCV-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)C[C@@H]1C[NH2+][C@H]1CCC[C@H](N)C1 300384224 487143546 /nfs/dbraw/zinc/14/35/46/487143546.db2.gz PSXGTNWRJOTEOJ-VWYCJHECSA-N 1 3 196.338 1.892 20 0 ADADHO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@H](N)C1 300384223 487143635 /nfs/dbraw/zinc/14/36/35/487143635.db2.gz PSXGTNWRJOTEOJ-OUAUKWLOSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCNCC1(C)C 300806228 487144407 /nfs/dbraw/zinc/14/44/07/487144407.db2.gz GIRDVOAXXWKWHM-VWYCJHECSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNCC1(C)C 300806222 487144477 /nfs/dbraw/zinc/14/44/77/487144477.db2.gz GIRDVOAXXWKWHM-GMTAPVOTSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNCC1(C)C 300806226 487144615 /nfs/dbraw/zinc/14/46/15/487144615.db2.gz GIRDVOAXXWKWHM-OUAUKWLOSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNCC1(C)C 300806224 487144590 /nfs/dbraw/zinc/14/45/90/487144590.db2.gz GIRDVOAXXWKWHM-MXWKQRLJSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]1CSCCN(CCC[NH3+])C1 306828748 487167104 /nfs/dbraw/zinc/16/71/04/487167104.db2.gz IXQMHRKCPIUQCU-SECBINFHSA-N 1 3 188.340 1.020 20 0 ADADHO C[C@H]1CSCC[N@H+](CCCN)C1 306828748 487167109 /nfs/dbraw/zinc/16/71/09/487167109.db2.gz IXQMHRKCPIUQCU-SECBINFHSA-N 1 3 188.340 1.020 20 0 ADADHO C[C@H]1CSCC[N@@H+](CCCN)C1 306828748 487167114 /nfs/dbraw/zinc/16/71/14/487167114.db2.gz IXQMHRKCPIUQCU-SECBINFHSA-N 1 3 188.340 1.020 20 0 ADADHO C[C@@H]1CSCCN(CCC[NH3+])C1 306828749 487167321 /nfs/dbraw/zinc/16/73/21/487167321.db2.gz IXQMHRKCPIUQCU-VIFPVBQESA-N 1 3 188.340 1.020 20 0 ADADHO C[C@@H]1CSCC[N@H+](CCCN)C1 306828749 487167326 /nfs/dbraw/zinc/16/73/26/487167326.db2.gz IXQMHRKCPIUQCU-VIFPVBQESA-N 1 3 188.340 1.020 20 0 ADADHO C[C@@H]1CSCC[N@@H+](CCCN)C1 306828749 487167329 /nfs/dbraw/zinc/16/73/29/487167329.db2.gz IXQMHRKCPIUQCU-VIFPVBQESA-N 1 3 188.340 1.020 20 0 ADADHO N[C@@H](C[NH2+]Cc1ccccc1)C1CC1 306864228 487168479 /nfs/dbraw/zinc/16/84/79/487168479.db2.gz JYRYETKMZOCHBP-LBPRGKRZSA-N 1 3 190.290 1.514 20 0 ADADHO N[C@H](C[NH2+]Cc1ccccc1)C1CC1 306864227 487168572 /nfs/dbraw/zinc/16/85/72/487168572.db2.gz JYRYETKMZOCHBP-GFCCVEGCSA-N 1 3 190.290 1.514 20 0 ADADHO C1CC(CCN2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 306899459 487169125 /nfs/dbraw/zinc/16/91/25/487169125.db2.gz DMKNHEQWPOFEQG-TXEJJXNPSA-N 1 3 194.322 1.328 20 0 ADADHO C[C@H]1[NH2+]CCC[C@H]1NCC1(C)CC1 307017457 487171893 /nfs/dbraw/zinc/17/18/93/487171893.db2.gz SIXOLIZKPBXBCE-NXEZZACHSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@H]1NCC1(C)CC1 307017459 487172004 /nfs/dbraw/zinc/17/20/04/487172004.db2.gz SIXOLIZKPBXBCE-VHSXEESVSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1[NH2+]CCC[C@@H]1NCC1(C)CC1 307017460 487172093 /nfs/dbraw/zinc/17/20/93/487172093.db2.gz SIXOLIZKPBXBCE-ZJUUUORDSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1(C)CC1 307017458 487172393 /nfs/dbraw/zinc/17/23/93/487172393.db2.gz SIXOLIZKPBXBCE-UWVGGRQHSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1[NH2+]CCC[C@@H]1NCC(C)(C)C 307081082 487173302 /nfs/dbraw/zinc/17/33/02/487173302.db2.gz GVMWJPXKLFSZML-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC(C)(C)C 307081080 487173327 /nfs/dbraw/zinc/17/33/27/487173327.db2.gz GVMWJPXKLFSZML-UWVGGRQHSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H]1[NH2+]CCC[C@H]1NCC(C)(C)C 307081079 487173419 /nfs/dbraw/zinc/17/34/19/487173419.db2.gz GVMWJPXKLFSZML-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@H]1NCC(C)(C)C 307081081 487173703 /nfs/dbraw/zinc/17/37/03/487173703.db2.gz GVMWJPXKLFSZML-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1CN(CCC2CCC2)C[C@H]1[NH3+] 307381626 487180232 /nfs/dbraw/zinc/18/02/32/487180232.db2.gz ACZAXIUAZNUWGH-MWLCHTKSSA-N 1 3 182.311 1.456 20 0 ADADHO C[NH2+]C[C@@H](C)NC1CCCC1 307678863 487187635 /nfs/dbraw/zinc/18/76/35/487187635.db2.gz PLICOUALLHNBCE-MRVPVSSYSA-N 1 3 156.273 1.127 20 0 ADADHO C[NH2+]C[C@H](C)NC1CCCC1 307678864 487187651 /nfs/dbraw/zinc/18/76/51/487187651.db2.gz PLICOUALLHNBCE-QMMMGPOBSA-N 1 3 156.273 1.127 20 0 ADADHO CCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307718089 487189608 /nfs/dbraw/zinc/18/96/08/487189608.db2.gz OMTYINGFRQUGAW-AXFHLTTASA-N 1 3 184.327 1.702 20 0 ADADHO CCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307718089 487189610 /nfs/dbraw/zinc/18/96/10/487189610.db2.gz OMTYINGFRQUGAW-AXFHLTTASA-N 1 3 184.327 1.702 20 0 ADADHO CCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307718090 487189630 /nfs/dbraw/zinc/18/96/30/487189630.db2.gz OMTYINGFRQUGAW-DCAQKATOSA-N 1 3 184.327 1.702 20 0 ADADHO CCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307718090 487189632 /nfs/dbraw/zinc/18/96/32/487189632.db2.gz OMTYINGFRQUGAW-DCAQKATOSA-N 1 3 184.327 1.702 20 0 ADADHO CCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 307718092 487189722 /nfs/dbraw/zinc/18/97/22/487189722.db2.gz OMTYINGFRQUGAW-VWYCJHECSA-N 1 3 184.327 1.702 20 0 ADADHO CCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 307718092 487189725 /nfs/dbraw/zinc/18/97/25/487189725.db2.gz OMTYINGFRQUGAW-VWYCJHECSA-N 1 3 184.327 1.702 20 0 ADADHO CCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 307718091 487189738 /nfs/dbraw/zinc/18/97/38/487189738.db2.gz OMTYINGFRQUGAW-MXWKQRLJSA-N 1 3 184.327 1.702 20 0 ADADHO CCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 307718091 487189742 /nfs/dbraw/zinc/18/97/42/487189742.db2.gz OMTYINGFRQUGAW-MXWKQRLJSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)C[C@@H]1CC[N@H+](CCCN)C1 307806366 487191786 /nfs/dbraw/zinc/19/17/86/487191786.db2.gz HUMSJHRARNDBDP-NSHDSACASA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)C[C@@H]1CC[N@@H+](CCCN)C1 307806366 487191789 /nfs/dbraw/zinc/19/17/89/487191789.db2.gz HUMSJHRARNDBDP-NSHDSACASA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)C[C@H]1CC[N@H+](CCCN)C1 307806364 487191847 /nfs/dbraw/zinc/19/18/47/487191847.db2.gz HUMSJHRARNDBDP-LLVKDONJSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)C[C@H]1CC[N@@H+](CCCN)C1 307806364 487191850 /nfs/dbraw/zinc/19/18/50/487191850.db2.gz HUMSJHRARNDBDP-LLVKDONJSA-N 1 3 184.327 1.703 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H](C)CC1CC1 307972314 487192304 /nfs/dbraw/zinc/19/23/04/487192304.db2.gz YUXLPRNPJRODNU-DTWKUNHWSA-N 1 3 170.300 1.359 20 0 ADADHO N[C@@H]1CCC[C@H]([NH2+]CCCF)C1 307959293 487192440 /nfs/dbraw/zinc/19/24/40/487192440.db2.gz JBXVCIZTMTUWJW-BDAKNGLRSA-N 1 3 174.263 1.206 20 0 ADADHO [NH3+][C@@H]1CCC[C@H](NCCCF)C1 307959293 487192442 /nfs/dbraw/zinc/19/24/42/487192442.db2.gz JBXVCIZTMTUWJW-BDAKNGLRSA-N 1 3 174.263 1.206 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H](C)CC1CC1 307972316 487192453 /nfs/dbraw/zinc/19/24/53/487192453.db2.gz YUXLPRNPJRODNU-IUCAKERBSA-N 1 3 170.300 1.359 20 0 ADADHO N[C@@H]1CCC[C@@H]([NH2+]CCCF)C1 307959296 487192528 /nfs/dbraw/zinc/19/25/28/487192528.db2.gz JBXVCIZTMTUWJW-RKDXNWHRSA-N 1 3 174.263 1.206 20 0 ADADHO [NH3+][C@@H]1CCC[C@@H](NCCCF)C1 307959296 487192529 /nfs/dbraw/zinc/19/25/29/487192529.db2.gz JBXVCIZTMTUWJW-RKDXNWHRSA-N 1 3 174.263 1.206 20 0 ADADHO N[C@H]1CCC[C@@H]([NH2+]CCCF)C1 307959294 487192540 /nfs/dbraw/zinc/19/25/40/487192540.db2.gz JBXVCIZTMTUWJW-DTWKUNHWSA-N 1 3 174.263 1.206 20 0 ADADHO [NH3+][C@H]1CCC[C@@H](NCCCF)C1 307959294 487192543 /nfs/dbraw/zinc/19/25/43/487192543.db2.gz JBXVCIZTMTUWJW-DTWKUNHWSA-N 1 3 174.263 1.206 20 0 ADADHO N[C@H]1CCC[C@H]([NH2+]CCCF)C1 307959295 487192548 /nfs/dbraw/zinc/19/25/48/487192548.db2.gz JBXVCIZTMTUWJW-IUCAKERBSA-N 1 3 174.263 1.206 20 0 ADADHO [NH3+][C@H]1CCC[C@H](NCCCF)C1 307959295 487192550 /nfs/dbraw/zinc/19/25/50/487192550.db2.gz JBXVCIZTMTUWJW-IUCAKERBSA-N 1 3 174.263 1.206 20 0 ADADHO C[C@H](CN)C[NH2+][C@H](C)CC1CC1 307972317 487192501 /nfs/dbraw/zinc/19/25/01/487192501.db2.gz YUXLPRNPJRODNU-RKDXNWHRSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@@H](CC1CC1)[NH2+]C[C@H](C)CN 307972312 487192810 /nfs/dbraw/zinc/19/28/10/487192810.db2.gz YUXLPRNPJRODNU-BDAKNGLRSA-N 1 3 170.300 1.359 20 0 ADADHO NCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 308016647 487193044 /nfs/dbraw/zinc/19/30/44/487193044.db2.gz SBBZNZHXYPWXCE-KXUCPTDWSA-N 1 3 168.284 1.113 20 0 ADADHO C[NH2+]C[C@H](C)NC1CCCCC1 308034593 487193141 /nfs/dbraw/zinc/19/31/41/487193141.db2.gz JYJLXFDBZYACEU-VIFPVBQESA-N 1 3 170.300 1.517 20 0 ADADHO C[NH2+]C[C@@H](C)NC1CCCCC1 308034592 487193442 /nfs/dbraw/zinc/19/34/42/487193442.db2.gz JYJLXFDBZYACEU-SECBINFHSA-N 1 3 170.300 1.517 20 0 ADADHO CCC[C@@H](CC)[NH2+]C[C@H](C)CN 308128080 487193859 /nfs/dbraw/zinc/19/38/59/487193859.db2.gz WHGIAWYICLPKET-NXEZZACHSA-N 1 3 172.316 1.750 20 0 ADADHO CCC[C@H](CC)[NH2+]C[C@H](C)CN 308128083 487193924 /nfs/dbraw/zinc/19/39/24/487193924.db2.gz WHGIAWYICLPKET-ZJUUUORDSA-N 1 3 172.316 1.750 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H]1C 308127471 487194013 /nfs/dbraw/zinc/19/40/13/487194013.db2.gz VYRRQQYINLRKLU-BBBLOLIVSA-N 1 3 170.300 1.359 20 0 ADADHO CCC[C@H](CC)[NH2+]C[C@@H](C)CN 308128081 487194066 /nfs/dbraw/zinc/19/40/66/487194066.db2.gz WHGIAWYICLPKET-UWVGGRQHSA-N 1 3 172.316 1.750 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H]1C 308127473 487194284 /nfs/dbraw/zinc/19/42/84/487194284.db2.gz VYRRQQYINLRKLU-OPRDCNLKSA-N 1 3 170.300 1.359 20 0 ADADHO CCC[C@@H](CC)[NH2+]C[C@@H](C)CN 308128082 487194311 /nfs/dbraw/zinc/19/43/11/487194311.db2.gz WHGIAWYICLPKET-VHSXEESVSA-N 1 3 172.316 1.750 20 0 ADADHO C[C@H]1CCC[C@H]1[NH2+]C[C@H](C)CN 308127472 487194388 /nfs/dbraw/zinc/19/43/88/487194388.db2.gz VYRRQQYINLRKLU-KXUCPTDWSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN 308127474 487194411 /nfs/dbraw/zinc/19/44/11/487194411.db2.gz VYRRQQYINLRKLU-UTLUCORTSA-N 1 3 170.300 1.359 20 0 ADADHO CC(C)C[C@@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 308199866 487196626 /nfs/dbraw/zinc/19/66/26/487196626.db2.gz ULPKZJUQMJQZML-ZNSHCXBVSA-N 1 3 182.311 1.228 20 0 ADADHO CC(C)C[C@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 308199865 487196853 /nfs/dbraw/zinc/19/68/53/487196853.db2.gz ULPKZJUQMJQZML-UKKRHICBSA-N 1 3 182.311 1.228 20 0 ADADHO CC[N@H+](CCCN)[C@H](C)C(C)C 319071305 487209140 /nfs/dbraw/zinc/20/91/40/487209140.db2.gz YMVRPCBKBXRHPT-SNVBAGLBSA-N 1 3 172.316 1.702 20 0 ADADHO C[C@H]1CCC[C@H](C[NH2+]C[C@H](C)CN)C1 308493681 487201763 /nfs/dbraw/zinc/20/17/63/487201763.db2.gz AXHOJBDXLKZRBX-TUAOUCFPSA-N 1 3 198.354 1.997 20 0 ADADHO C[C@H]1CCC[C@@H](C[NH2+]C[C@H](C)CN)C1 308493680 487201789 /nfs/dbraw/zinc/20/17/89/487201789.db2.gz AXHOJBDXLKZRBX-QJPTWQEYSA-N 1 3 198.354 1.997 20 0 ADADHO C[C@H](CN)C[NH2+]C[C@H]1CCC[C@@H](C)C1 308493682 487201920 /nfs/dbraw/zinc/20/19/20/487201920.db2.gz AXHOJBDXLKZRBX-UTUOFQBUSA-N 1 3 198.354 1.997 20 0 ADADHO C[C@H](CN)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 308493679 487202194 /nfs/dbraw/zinc/20/21/94/487202194.db2.gz AXHOJBDXLKZRBX-IJLUTSLNSA-N 1 3 198.354 1.997 20 0 ADADHO C[C@H]1CCC[C@@H]([NH2+]C[C@H](C)CN)[C@@H]1C 308582700 487203823 /nfs/dbraw/zinc/20/38/23/487203823.db2.gz QDSLNHPRGFMYCZ-WRWGMCAJSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H]1CC[C@@H]([NH2+]C[C@H](C)CN)[C@H](C)C1 308570586 487203869 /nfs/dbraw/zinc/20/38/69/487203869.db2.gz JZWSGWFMOMMXHL-IRCOFANPSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H](CN)C[NH2+]C1C[C@H](C)C[C@@H](C)C1 308583632 487203903 /nfs/dbraw/zinc/20/39/03/487203903.db2.gz QPICBTCOHOSATK-GMTAPVOTSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 308570585 487203977 /nfs/dbraw/zinc/20/39/77/487203977.db2.gz JZWSGWFMOMMXHL-DDHJBXDOSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@@H]1CC([NH2+]C[C@H](C)CN)C[C@@H](C)C1 308583630 487204049 /nfs/dbraw/zinc/20/40/49/487204049.db2.gz QPICBTCOHOSATK-GARJFASQSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H]1CC[C@@H]([NH2+]C[C@H](C)CN)[C@@H](C)C1 308570587 487204136 /nfs/dbraw/zinc/20/41/36/487204136.db2.gz JZWSGWFMOMMXHL-WHOHXGKFSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H]1[C@H](C)CCC[C@H]1[NH2+]C[C@H](C)CN 308582699 487204158 /nfs/dbraw/zinc/20/41/58/487204158.db2.gz QDSLNHPRGFMYCZ-WISYIIOYSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 308582697 487204171 /nfs/dbraw/zinc/20/41/71/487204171.db2.gz QDSLNHPRGFMYCZ-DDHJBXDOSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H]1CCC[C@@H]([NH2+]C[C@H](C)CN)[C@H]1C 308582698 487204182 /nfs/dbraw/zinc/20/41/82/487204182.db2.gz QDSLNHPRGFMYCZ-NOOOWODRSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](C)CN 308570588 487204188 /nfs/dbraw/zinc/20/41/88/487204188.db2.gz JZWSGWFMOMMXHL-WISYIIOYSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H](CN)C[NH2+]C[C@H]1CCCC[C@H]1C 308593414 487204430 /nfs/dbraw/zinc/20/44/30/487204430.db2.gz WYSYBERTYBQGEC-IJLUTSLNSA-N 1 3 198.354 1.997 20 0 ADADHO C[C@H]1C[C@H]([NH2+]C[C@H](C)CN)CC[C@H]1C 308595312 487204472 /nfs/dbraw/zinc/20/44/72/487204472.db2.gz YJRAVDSLKGYZRL-WISYIIOYSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H]1CCCC[C@H]1C[NH2+]C[C@H](C)CN 308593416 487204551 /nfs/dbraw/zinc/20/45/51/487204551.db2.gz WYSYBERTYBQGEC-WOPDTQHZSA-N 1 3 198.354 1.997 20 0 ADADHO C[C@H]1CC[C@@H]([NH2+]C[C@H](C)CN)C[C@H]1C 308595313 487204497 /nfs/dbraw/zinc/20/44/97/487204497.db2.gz YJRAVDSLKGYZRL-WRWGMCAJSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H]1C[C@@H](C)C[C@H]([NH2+]C[C@H](C)CN)C1 308583634 487204703 /nfs/dbraw/zinc/20/47/03/487204703.db2.gz QPICBTCOHOSATK-KXNHARMFSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H](CN)C[NH2+]C[C@@H]1CCCC[C@H]1C 308593415 487204786 /nfs/dbraw/zinc/20/47/86/487204786.db2.gz WYSYBERTYBQGEC-UTUOFQBUSA-N 1 3 198.354 1.997 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 308595310 487204844 /nfs/dbraw/zinc/20/48/44/487204844.db2.gz YJRAVDSLKGYZRL-DDHJBXDOSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H]1CCCC[C@@H]1C[NH2+]C[C@H](C)CN 308593413 487204859 /nfs/dbraw/zinc/20/48/59/487204859.db2.gz WYSYBERTYBQGEC-GRYCIOLGSA-N 1 3 198.354 1.997 20 0 ADADHO C[C@H]1CC[C@@H]([NH2+]C[C@H](C)CN)C[C@@H]1C 308595311 487204868 /nfs/dbraw/zinc/20/48/68/487204868.db2.gz YJRAVDSLKGYZRL-NOOOWODRSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 308583636 487204874 /nfs/dbraw/zinc/20/48/74/487204874.db2.gz QPICBTCOHOSATK-WHOHXGKFSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H]1CCCC[C@@]1(C)[NH2+]CCCN 308714708 487207388 /nfs/dbraw/zinc/20/73/88/487207388.db2.gz NRANNLAODJXEJJ-WDEREUQCSA-N 1 3 184.327 1.894 20 0 ADADHO C[C@@H]1CCCC[C@]1(C)[NH2+]CCCN 308714706 487207608 /nfs/dbraw/zinc/20/76/08/487207608.db2.gz NRANNLAODJXEJJ-MNOVXSKESA-N 1 3 184.327 1.894 20 0 ADADHO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCCN 308714704 487207703 /nfs/dbraw/zinc/20/77/03/487207703.db2.gz NRANNLAODJXEJJ-GHMZBOCLSA-N 1 3 184.327 1.894 20 0 ADADHO C[C@H]1CCCC[C@]1(C)[NH2+]CCCN 308714707 487207835 /nfs/dbraw/zinc/20/78/35/487207835.db2.gz NRANNLAODJXEJJ-QWRGUYRKSA-N 1 3 184.327 1.894 20 0 ADADHO CC[C@H](C)[C@H](C)N[C@@H](C)C[NH2+]C 319471518 487208867 /nfs/dbraw/zinc/20/88/67/487208867.db2.gz WNYXTIDICGUQRN-GUBZILKMSA-N 1 3 172.316 1.619 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@H](C)C(C)C 319109188 487208896 /nfs/dbraw/zinc/20/88/96/487208896.db2.gz GOJAATDIZVBIGT-RKDXNWHRSA-N 1 3 158.289 1.228 20 0 ADADHO CC[C@H](C)[C@@H](C)N[C@H](C)C[NH2+]C 319471520 487208936 /nfs/dbraw/zinc/20/89/36/487208936.db2.gz WNYXTIDICGUQRN-IVZWLZJFSA-N 1 3 172.316 1.619 20 0 ADADHO CC(C)[C@@H](C)[N@H+](CCCN)C1CC1 319006367 487208963 /nfs/dbraw/zinc/20/89/63/487208963.db2.gz ODADGWBGLJJMFU-SNVBAGLBSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)[C@@H](C)[N@@H+](CCCN)C1CC1 319006367 487208965 /nfs/dbraw/zinc/20/89/65/487208965.db2.gz ODADGWBGLJJMFU-SNVBAGLBSA-N 1 3 184.327 1.844 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@@H](C)C(C)C 319109185 487208992 /nfs/dbraw/zinc/20/89/92/487208992.db2.gz GOJAATDIZVBIGT-BDAKNGLRSA-N 1 3 158.289 1.228 20 0 ADADHO CC[C@H](C)[C@H](C)N[C@H](C)C[NH2+]C 319471514 487209056 /nfs/dbraw/zinc/20/90/56/487209056.db2.gz WNYXTIDICGUQRN-AEJSXWLSSA-N 1 3 172.316 1.619 20 0 ADADHO CC(C)[C@H](C)[N@H+](CCCN)C1CC1 319006366 487209073 /nfs/dbraw/zinc/20/90/73/487209073.db2.gz ODADGWBGLJJMFU-JTQLQIEISA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)[C@H](C)[N@@H+](CCCN)C1CC1 319006366 487209075 /nfs/dbraw/zinc/20/90/75/487209075.db2.gz ODADGWBGLJJMFU-JTQLQIEISA-N 1 3 184.327 1.844 20 0 ADADHO CC[N@H+](CCCN)[C@@H](C)C(C)C 319071304 487209112 /nfs/dbraw/zinc/20/91/12/487209112.db2.gz YMVRPCBKBXRHPT-JTQLQIEISA-N 1 3 172.316 1.702 20 0 ADADHO CC[N@@H+](CCCN)[C@@H](C)C(C)C 319071304 487209114 /nfs/dbraw/zinc/20/91/14/487209114.db2.gz YMVRPCBKBXRHPT-JTQLQIEISA-N 1 3 172.316 1.702 20 0 ADADHO CC[C@H](C)[C@@H](C)N[C@@H](C)C[NH2+]C 319471523 487209121 /nfs/dbraw/zinc/20/91/21/487209121.db2.gz WNYXTIDICGUQRN-LPEHRKFASA-N 1 3 172.316 1.619 20 0 ADADHO CC[N@@H+](CCCN)[C@H](C)C(C)C 319071305 487209142 /nfs/dbraw/zinc/20/91/42/487209142.db2.gz YMVRPCBKBXRHPT-SNVBAGLBSA-N 1 3 172.316 1.702 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H](C)C(C)C 319109187 487209183 /nfs/dbraw/zinc/20/91/83/487209183.db2.gz GOJAATDIZVBIGT-IUCAKERBSA-N 1 3 158.289 1.228 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H](C)C(C)C 319109186 487209242 /nfs/dbraw/zinc/20/92/42/487209242.db2.gz GOJAATDIZVBIGT-DTWKUNHWSA-N 1 3 158.289 1.228 20 0 ADADHO C[C@H]1CC(C)(C)C[N@@H+]1CCCN 334851276 487229161 /nfs/dbraw/zinc/22/91/61/487229161.db2.gz BPPPAXITEKXYNI-VIFPVBQESA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1CC(C)(C)C[N@H+]1CCCN 334851276 487229163 /nfs/dbraw/zinc/22/91/63/487229163.db2.gz BPPPAXITEKXYNI-VIFPVBQESA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)C[NH2+]C1(C)CCNCC1 334844869 487229175 /nfs/dbraw/zinc/22/91/75/487229175.db2.gz VTGZSYHSJVFJFL-UHFFFAOYSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@@H]1CC(C)(C)C[N@@H+]1CCCN 334851274 487229334 /nfs/dbraw/zinc/22/93/34/487229334.db2.gz BPPPAXITEKXYNI-SECBINFHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@@H]1CC(C)(C)C[N@H+]1CCCN 334851274 487229337 /nfs/dbraw/zinc/22/93/37/487229337.db2.gz BPPPAXITEKXYNI-SECBINFHSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[C@@H](C)N[C@@H](C)C[NH2+]C 379152279 487236855 /nfs/dbraw/zinc/23/68/55/487236855.db2.gz COXCQHCEZGQHJZ-BDAKNGLRSA-N 1 3 158.289 1.373 20 0 ADADHO CCC[C@H](C)N[C@H](C)C[NH2+]C 379152280 487237193 /nfs/dbraw/zinc/23/71/93/487237193.db2.gz COXCQHCEZGQHJZ-DTWKUNHWSA-N 1 3 158.289 1.373 20 0 ADADHO CCC[C@H](C)N[C@@H](C)C[NH2+]C 379152283 487237305 /nfs/dbraw/zinc/23/73/05/487237305.db2.gz COXCQHCEZGQHJZ-IUCAKERBSA-N 1 3 158.289 1.373 20 0 ADADHO CCC[C@@H](C)N[C@H](C)C[NH2+]C 379152284 487237327 /nfs/dbraw/zinc/23/73/27/487237327.db2.gz COXCQHCEZGQHJZ-RKDXNWHRSA-N 1 3 158.289 1.373 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H](C)C1CCC1 379326773 487238174 /nfs/dbraw/zinc/23/81/74/487238174.db2.gz IYXWDZGGJDHKIF-IUCAKERBSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H](C)C1CCC1 379326772 487238219 /nfs/dbraw/zinc/23/82/19/487238219.db2.gz IYXWDZGGJDHKIF-DTWKUNHWSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@H](CN)C[NH2+][C@H](C)C1CCC1 379326774 487238431 /nfs/dbraw/zinc/23/84/31/487238431.db2.gz IYXWDZGGJDHKIF-RKDXNWHRSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@H]([NH2+]C[C@H](C)CN)C1CCC1 379326771 487238446 /nfs/dbraw/zinc/23/84/46/487238446.db2.gz IYXWDZGGJDHKIF-BDAKNGLRSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CCCC1(C)C 379384365 487241197 /nfs/dbraw/zinc/24/11/97/487241197.db2.gz NVOXPKJTTNJBQN-NXEZZACHSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H]1CCCC1(C)C 379384366 487241232 /nfs/dbraw/zinc/24/12/32/487241232.db2.gz NVOXPKJTTNJBQN-UWVGGRQHSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H]1CCCC1(C)C 379384367 487241346 /nfs/dbraw/zinc/24/13/46/487241346.db2.gz NVOXPKJTTNJBQN-VHSXEESVSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CCCC1(C)C 379384368 487241354 /nfs/dbraw/zinc/24/13/54/487241354.db2.gz NVOXPKJTTNJBQN-ZJUUUORDSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@H](C[NH3+])CN[C@H](C)c1cccs1 379392260 487242290 /nfs/dbraw/zinc/24/22/90/487242290.db2.gz RMAWTYHHJWGGMA-RKDXNWHRSA-N 1 3 198.335 1.994 20 0 ADADHO C[C@@H](C[NH3+])CN[C@H](C)c1cccs1 379392259 487242319 /nfs/dbraw/zinc/24/23/19/487242319.db2.gz RMAWTYHHJWGGMA-DTWKUNHWSA-N 1 3 198.335 1.994 20 0 ADADHO CC1CCC([NH2+]C[C@@H](C)CN)CC1 379396507 487243144 /nfs/dbraw/zinc/24/31/44/487243144.db2.gz CTDZBXRTAUMJCM-YVNMAJEFSA-N 1 3 184.327 1.750 20 0 ADADHO CC1CCC([NH2+]C[C@H](C)CN)CC1 379396504 487243211 /nfs/dbraw/zinc/24/32/11/487243211.db2.gz CTDZBXRTAUMJCM-HSOILSAZSA-N 1 3 184.327 1.750 20 0 ADADHO C[N@H+](CCCN)C[C@H]1CC1(C)C 381991876 487249062 /nfs/dbraw/zinc/24/90/62/487249062.db2.gz SMQLAIIINXUXGP-SECBINFHSA-N 1 3 170.300 1.313 20 0 ADADHO C[N@@H+](CCCN)C[C@H]1CC1(C)C 381991876 487249063 /nfs/dbraw/zinc/24/90/63/487249063.db2.gz SMQLAIIINXUXGP-SECBINFHSA-N 1 3 170.300 1.313 20 0 ADADHO CN(CCC[NH3+])C[C@H]1CC1(C)C 381991876 487249065 /nfs/dbraw/zinc/24/90/65/487249065.db2.gz SMQLAIIINXUXGP-SECBINFHSA-N 1 3 170.300 1.313 20 0 ADADHO C[N@H+](CCCN)CC1CC=CC1 381993791 487249105 /nfs/dbraw/zinc/24/91/05/487249105.db2.gz VSBRLLQEVPFVRB-UHFFFAOYSA-N 1 3 168.284 1.233 20 0 ADADHO C[N@@H+](CCCN)CC1CC=CC1 381993791 487249106 /nfs/dbraw/zinc/24/91/06/487249106.db2.gz VSBRLLQEVPFVRB-UHFFFAOYSA-N 1 3 168.284 1.233 20 0 ADADHO CN(CCC[NH3+])CC1CC=CC1 381993791 487249107 /nfs/dbraw/zinc/24/91/07/487249107.db2.gz VSBRLLQEVPFVRB-UHFFFAOYSA-N 1 3 168.284 1.233 20 0 ADADHO C[N@H+](CCCN)C[C@@H]1CC1(C)C 381991877 487249177 /nfs/dbraw/zinc/24/91/77/487249177.db2.gz SMQLAIIINXUXGP-VIFPVBQESA-N 1 3 170.300 1.313 20 0 ADADHO C[N@@H+](CCCN)C[C@@H]1CC1(C)C 381991877 487249182 /nfs/dbraw/zinc/24/91/82/487249182.db2.gz SMQLAIIINXUXGP-VIFPVBQESA-N 1 3 170.300 1.313 20 0 ADADHO CN(CCC[NH3+])C[C@@H]1CC1(C)C 381991877 487249185 /nfs/dbraw/zinc/24/91/85/487249185.db2.gz SMQLAIIINXUXGP-VIFPVBQESA-N 1 3 170.300 1.313 20 0 ADADHO NCCC[NH2+][C@H]1CCC[C@@H]2C[C@H]12 382406197 487249751 /nfs/dbraw/zinc/24/97/51/487249751.db2.gz SBBZNZHXYPWXCE-UTLUCORTSA-N 1 3 168.284 1.113 20 0 ADADHO C[C@@H](CC1CC1)[NH2+]CCCNC1CC1 382586407 487250402 /nfs/dbraw/zinc/25/04/02/487250402.db2.gz UIACXSGJOXXQBJ-JTQLQIEISA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CCC[C@H]1[NH2+]CCCNC1CC1 382589002 487250411 /nfs/dbraw/zinc/25/04/11/487250411.db2.gz XORLKJPYUGOVOX-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 382589004 487250773 /nfs/dbraw/zinc/25/07/73/487250773.db2.gz XORLKJPYUGOVOX-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](CC1CC1)[NH2+]CCCNC1CC1 382586408 487250878 /nfs/dbraw/zinc/25/08/78/487250878.db2.gz UIACXSGJOXXQBJ-SNVBAGLBSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+]CCCNC1CC1)C1CCC1 382577682 487250885 /nfs/dbraw/zinc/25/08/85/487250885.db2.gz HPCVXTLJYNULNN-SNVBAGLBSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+]CCCNC1CC1 382589012 487250895 /nfs/dbraw/zinc/25/08/95/487250895.db2.gz XORLKJPYUGOVOX-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 382589009 487250943 /nfs/dbraw/zinc/25/09/43/487250943.db2.gz XORLKJPYUGOVOX-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+]CCCNC1CC1)C1CCC1 382577681 487250949 /nfs/dbraw/zinc/25/09/49/487250949.db2.gz HPCVXTLJYNULNN-JTQLQIEISA-N 1 3 196.338 1.907 20 0 ADADHO C[NH2+]CCNC[C@@H]1CCC[C@H](C)C1 383083129 487251588 /nfs/dbraw/zinc/25/15/88/487251588.db2.gz AHGOESKGTGNYKZ-WDEREUQCSA-N 1 3 184.327 1.622 20 0 ADADHO C[NH2+]CCNC[C@H]1CCC[C@H](C)C1 383083128 487251757 /nfs/dbraw/zinc/25/17/57/487251757.db2.gz AHGOESKGTGNYKZ-QWRGUYRKSA-N 1 3 184.327 1.622 20 0 ADADHO C[NH2+]CCNC[C@@H]1CCC[C@@H](C)C1 383083126 487251797 /nfs/dbraw/zinc/25/17/97/487251797.db2.gz AHGOESKGTGNYKZ-GHMZBOCLSA-N 1 3 184.327 1.622 20 0 ADADHO C[NH2+]CCNC[C@H]1CCC[C@@H](C)C1 383083127 487251826 /nfs/dbraw/zinc/25/18/26/487251826.db2.gz AHGOESKGTGNYKZ-MNOVXSKESA-N 1 3 184.327 1.622 20 0 ADADHO CCOCCC[N@H+](C)CC(C)(C)N 382949591 487251958 /nfs/dbraw/zinc/25/19/58/487251958.db2.gz LKFMEJRUAJQVDI-UHFFFAOYSA-N 1 3 188.315 1.082 20 0 ADADHO CCOCCC[N@@H+](C)CC(C)(C)N 382949591 487251960 /nfs/dbraw/zinc/25/19/60/487251960.db2.gz LKFMEJRUAJQVDI-UHFFFAOYSA-N 1 3 188.315 1.082 20 0 ADADHO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCNC1 384663057 487252158 /nfs/dbraw/zinc/25/21/58/487252158.db2.gz OXNVXZCXXXNXCN-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H]1[C@@H](C)CC[N@@H+]1CCCN 383905347 487252209 /nfs/dbraw/zinc/25/22/09/487252209.db2.gz QLNIGRGLOCAVBI-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@H]1[C@@H](C)CC[N@H+]1CCCN 383905347 487252213 /nfs/dbraw/zinc/25/22/13/487252213.db2.gz QLNIGRGLOCAVBI-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCNC1 384663055 487252491 /nfs/dbraw/zinc/25/24/91/487252491.db2.gz OXNVXZCXXXNXCN-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@@H]1[C@H](C)CC[N@@H+]1CCCN 383905346 487252511 /nfs/dbraw/zinc/25/25/11/487252511.db2.gz QLNIGRGLOCAVBI-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@@H]1[C@H](C)CC[N@H+]1CCCN 383905346 487252515 /nfs/dbraw/zinc/25/25/15/487252515.db2.gz QLNIGRGLOCAVBI-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCN 383905348 487252606 /nfs/dbraw/zinc/25/26/06/487252606.db2.gz QLNIGRGLOCAVBI-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@@H]1[C@@H](C)CC[N@H+]1CCCN 383905348 487252608 /nfs/dbraw/zinc/25/26/08/487252608.db2.gz QLNIGRGLOCAVBI-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@H]1[C@H](C)CC[N@@H+]1CCCN 383905349 487252630 /nfs/dbraw/zinc/25/26/30/487252630.db2.gz QLNIGRGLOCAVBI-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@H]1[C@H](C)CC[N@H+]1CCCN 383905349 487252632 /nfs/dbraw/zinc/25/26/32/487252632.db2.gz QLNIGRGLOCAVBI-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCNC1 384663058 487252744 /nfs/dbraw/zinc/25/27/44/487252744.db2.gz OXNVXZCXXXNXCN-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCNC1 384663056 487252758 /nfs/dbraw/zinc/25/27/58/487252758.db2.gz OXNVXZCXXXNXCN-UWVGGRQHSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H](CCN)[NH2+]CC1(C)CC1 388119343 487258436 /nfs/dbraw/zinc/25/84/36/487258436.db2.gz JKNUWXSIWMAHLR-MRVPVSSYSA-N 1 3 156.273 1.113 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H](N)C1 388208091 487258601 /nfs/dbraw/zinc/25/86/01/487258601.db2.gz NXPVTYPVDCUUOY-WRWGMCAJSA-N 1 3 196.338 1.892 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@@H](N)C1 388208087 487258767 /nfs/dbraw/zinc/25/87/67/487258767.db2.gz NXPVTYPVDCUUOY-KXNHARMFSA-N 1 3 196.338 1.892 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@H](N)C1 388208090 487258832 /nfs/dbraw/zinc/25/88/32/487258832.db2.gz NXPVTYPVDCUUOY-RHYQMDGZSA-N 1 3 196.338 1.892 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H](N)C1 388208088 487258837 /nfs/dbraw/zinc/25/88/37/487258837.db2.gz NXPVTYPVDCUUOY-NOOOWODRSA-N 1 3 196.338 1.892 20 0 ADADHO C[NH2+]C[C@@H](C)NC1CCCCCC1 388161065 487258843 /nfs/dbraw/zinc/25/88/43/487258843.db2.gz KDXLTLVULZGZAE-SNVBAGLBSA-N 1 3 184.327 1.907 20 0 ADADHO C[N@H+](CCCN)C(C1CC1)C1CC1 388119687 487258862 /nfs/dbraw/zinc/25/88/62/487258862.db2.gz NRVSQMGDDXITGI-UHFFFAOYSA-N 1 3 182.311 1.456 20 0 ADADHO C[N@@H+](CCCN)C(C1CC1)C1CC1 388119687 487258863 /nfs/dbraw/zinc/25/88/63/487258863.db2.gz NRVSQMGDDXITGI-UHFFFAOYSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H](CCN)[NH2+]CC1(C)CC1 388119345 487258884 /nfs/dbraw/zinc/25/88/84/487258884.db2.gz JKNUWXSIWMAHLR-QMMMGPOBSA-N 1 3 156.273 1.113 20 0 ADADHO C[NH2+]C[C@H](C)NC1CCCCCC1 388161064 487258893 /nfs/dbraw/zinc/25/88/93/487258893.db2.gz KDXLTLVULZGZAE-JTQLQIEISA-N 1 3 184.327 1.907 20 0 ADADHO C[C@H]1CCCC[C@H]1[NH2+]C[C@H](C)CN 388745349 487261007 /nfs/dbraw/zinc/26/10/07/487261007.db2.gz YWGKAFAWKCFMSL-OUAUKWLOSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CCCC[C@H]1C 388745347 487261101 /nfs/dbraw/zinc/26/11/01/487261101.db2.gz YWGKAFAWKCFMSL-MXWKQRLJSA-N 1 3 184.327 1.750 20 0 ADADHO CC(C)CC[C@H](C)[NH2+]C[C@@H](C)CN 388781652 487261127 /nfs/dbraw/zinc/26/11/27/487261127.db2.gz JQNQFJVFZFVPJZ-QWRGUYRKSA-N 1 3 186.343 1.996 20 0 ADADHO CC(C)CC[C@H](C)[NH2+]C[C@H](C)CN 388781649 487261044 /nfs/dbraw/zinc/26/10/44/487261044.db2.gz JQNQFJVFZFVPJZ-MNOVXSKESA-N 1 3 186.343 1.996 20 0 ADADHO CC(C)CC[C@@H](C)[NH2+]C[C@H](C)CN 388781647 487261348 /nfs/dbraw/zinc/26/13/48/487261348.db2.gz JQNQFJVFZFVPJZ-GHMZBOCLSA-N 1 3 186.343 1.996 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@H]1C 388745344 487261364 /nfs/dbraw/zinc/26/13/64/487261364.db2.gz YWGKAFAWKCFMSL-GMTAPVOTSA-N 1 3 184.327 1.750 20 0 ADADHO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)CN 388781669 487261455 /nfs/dbraw/zinc/26/14/55/487261455.db2.gz JQNQFJVFZFVPJZ-WDEREUQCSA-N 1 3 186.343 1.996 20 0 ADADHO C[C@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CN 388745350 487261574 /nfs/dbraw/zinc/26/15/74/487261574.db2.gz YWGKAFAWKCFMSL-VWYCJHECSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@@H](C[NH2+][C@@H](C)CC1CC1)CN(C)C 393655661 487267416 /nfs/dbraw/zinc/26/74/16/487267416.db2.gz HEUMKMINIWZDCO-QWRGUYRKSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H](CC1CC1)[NH2+]C[C@@H](C)CN(C)C 393655660 487267427 /nfs/dbraw/zinc/26/74/27/487267427.db2.gz HEUMKMINIWZDCO-MNOVXSKESA-N 1 3 198.354 1.962 20 0 ADADHO C[C@H](C[NH2+][C@H](C)CC1CC1)CN(C)C 393655659 487267457 /nfs/dbraw/zinc/26/74/57/487267457.db2.gz HEUMKMINIWZDCO-GHMZBOCLSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H](C[NH2+][C@H](C)CC1CC1)CN(C)C 393655664 487267534 /nfs/dbraw/zinc/26/75/34/487267534.db2.gz HEUMKMINIWZDCO-WDEREUQCSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@H]1CCC[C@H]([NH2+]C[C@H](C)CN)C1 393714093 487268868 /nfs/dbraw/zinc/26/88/68/487268868.db2.gz HOAOETNJGXFOBQ-AXFHLTTASA-N 1 3 184.327 1.750 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H](C)C1 393714094 487268944 /nfs/dbraw/zinc/26/89/44/487268944.db2.gz HOAOETNJGXFOBQ-GMTAPVOTSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@H]1CCC[C@@H]([NH2+]C[C@H](C)CN)C1 393714095 487269180 /nfs/dbraw/zinc/26/91/80/487269180.db2.gz HOAOETNJGXFOBQ-HBNTYKKESA-N 1 3 184.327 1.750 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H](C)C1 393714096 487269302 /nfs/dbraw/zinc/26/93/02/487269302.db2.gz HOAOETNJGXFOBQ-MXWKQRLJSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@@H](CC(C)(C)C)[NH2+]CCCN 395088645 487272140 /nfs/dbraw/zinc/27/21/40/487272140.db2.gz WRFVBSMMKGUJNE-VIFPVBQESA-N 1 3 172.316 1.750 20 0 ADADHO CN(CCC[NH3+])C1CC(C)(C)C1 395165120 487272248 /nfs/dbraw/zinc/27/22/48/487272248.db2.gz CASINKGTGCTMPT-UHFFFAOYSA-N 1 3 170.300 1.456 20 0 ADADHO C[N@H+](CCCN)C1CC(C)(C)C1 395165120 487272251 /nfs/dbraw/zinc/27/22/51/487272251.db2.gz CASINKGTGCTMPT-UHFFFAOYSA-N 1 3 170.300 1.456 20 0 ADADHO C[N@@H+](CCCN)C1CC(C)(C)C1 395165120 487272253 /nfs/dbraw/zinc/27/22/53/487272253.db2.gz CASINKGTGCTMPT-UHFFFAOYSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H](CC(C)(C)C)[NH2+]CCCN 395088642 487272366 /nfs/dbraw/zinc/27/23/66/487272366.db2.gz WRFVBSMMKGUJNE-SECBINFHSA-N 1 3 172.316 1.750 20 0 ADADHO CC/C=C\CN[C@@H]1CCC[C@@H]([NH3+])C1 395376173 487272932 /nfs/dbraw/zinc/27/29/32/487272932.db2.gz PRWZTJQUEVGOOW-ANDSXOESSA-N 1 3 182.311 1.812 20 0 ADADHO CC/C=C\CN[C@@H]1CCC[C@H]([NH3+])C1 395376175 487273140 /nfs/dbraw/zinc/27/31/40/487273140.db2.gz PRWZTJQUEVGOOW-CBZSPVTBSA-N 1 3 182.311 1.812 20 0 ADADHO CC/C=C/CN[C@@H]1CCC[C@@H]([NH3+])C1 395376179 487273226 /nfs/dbraw/zinc/27/32/26/487273226.db2.gz PRWZTJQUEVGOOW-YIZUVKHSSA-N 1 3 182.311 1.812 20 0 ADADHO CC/C=C/CN[C@@H]1CCC[C@H]([NH3+])C1 395376176 487273238 /nfs/dbraw/zinc/27/32/38/487273238.db2.gz PRWZTJQUEVGOOW-MJKAUQOVSA-N 1 3 182.311 1.812 20 0 ADADHO CC(C)OCC(C)(C)NCCC[NH3+] 396321927 487273906 /nfs/dbraw/zinc/27/39/06/487273906.db2.gz LDMPIQRWKOGGPG-UHFFFAOYSA-N 1 3 188.315 1.128 20 0 ADADHO CC(C)OCC(C)(C)[NH2+]CCCN 396321927 487273910 /nfs/dbraw/zinc/27/39/10/487273910.db2.gz LDMPIQRWKOGGPG-UHFFFAOYSA-N 1 3 188.315 1.128 20 0 ADADHO C[C@@H](CCC1CC1)N[C@H]1CCC[NH2+]C1 398086296 487282256 /nfs/dbraw/zinc/28/22/56/487282256.db2.gz NWCLZVZVIFMNPW-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](CN)C[NH2+][C@H](C)CCC1CC1 398105721 487282292 /nfs/dbraw/zinc/28/22/92/487282292.db2.gz VNFLXCZRKVJNOI-NXEZZACHSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@H](CCC1CC1)N[C@H]1CCC[NH2+]C1 398086300 487282320 /nfs/dbraw/zinc/28/23/20/487282320.db2.gz NWCLZVZVIFMNPW-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO CNCCC[NH2+][C@@H](C)CCC1CC1 398102067 487282378 /nfs/dbraw/zinc/28/23/78/487282378.db2.gz TWTVKTBKYPOKBM-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO C[C@@H](CCC1CC1)[NH2+]C1CCNCC1 398060600 487282423 /nfs/dbraw/zinc/28/24/23/487282423.db2.gz FWBVVGSJWWZEOI-JTQLQIEISA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](CCC1CC1)N[C@@H]1CCC[NH2+]C1 398086302 487282432 /nfs/dbraw/zinc/28/24/32/487282432.db2.gz NWCLZVZVIFMNPW-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](CCC1CC1)[NH2+][C@H]1CCNC1 398102293 487282512 /nfs/dbraw/zinc/28/25/12/487282512.db2.gz UELMJJQPBKUJCT-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](CCC1CC1)N[C@@H]1CCC[NH2+]C1 398086295 487282561 /nfs/dbraw/zinc/28/25/61/487282561.db2.gz NWCLZVZVIFMNPW-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H](C)CCC1CC1 398105724 487282498 /nfs/dbraw/zinc/28/24/98/487282498.db2.gz VNFLXCZRKVJNOI-VHSXEESVSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@@H](CCC1CC1)[NH2+]C[C@H](C)CN 398105725 487282635 /nfs/dbraw/zinc/28/26/35/487282635.db2.gz VNFLXCZRKVJNOI-ZJUUUORDSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H](C)CCC1CC1 398105723 487282643 /nfs/dbraw/zinc/28/26/43/487282643.db2.gz VNFLXCZRKVJNOI-UWVGGRQHSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@H](CCC1CC1)[NH2+]C1CCNCC1 398060602 487282688 /nfs/dbraw/zinc/28/26/88/487282688.db2.gz FWBVVGSJWWZEOI-SNVBAGLBSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](CCC1CC1)[NH2+][C@H]1CCNC1 398102295 487282779 /nfs/dbraw/zinc/28/27/79/487282779.db2.gz UELMJJQPBKUJCT-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO CNCCC[NH2+][C@H](C)CCC1CC1 398102068 487282826 /nfs/dbraw/zinc/28/28/26/487282826.db2.gz TWTVKTBKYPOKBM-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO C[C@]1([NH2+]CCCN)CC=CCC1 398418736 487284758 /nfs/dbraw/zinc/28/47/58/487284758.db2.gz OXWXNHQSMPTGLI-JTQLQIEISA-N 1 3 168.284 1.424 20 0 ADADHO C[C@@]1([NH2+]CCCN)CC=CCC1 398418737 487285105 /nfs/dbraw/zinc/28/51/05/487285105.db2.gz OXWXNHQSMPTGLI-SNVBAGLBSA-N 1 3 168.284 1.424 20 0 ADADHO [NH3+]C[C@H]1CCCN1CCC1CCC1 398795943 487285715 /nfs/dbraw/zinc/28/57/15/487285715.db2.gz ULNWDOUDHNENAM-LLVKDONJSA-N 1 3 182.311 1.600 20 0 ADADHO C[NH2+]C[C@H](C)NC[C@H](C)C(C)(C)C 399139898 487285742 /nfs/dbraw/zinc/28/57/42/487285742.db2.gz WVPRZCDDVXWWDK-UWVGGRQHSA-N 1 3 186.343 1.866 20 0 ADADHO C[C@@H](CCN)[NH2+]C[C@H](C)C(C)(C)C 399132342 487285798 /nfs/dbraw/zinc/28/57/98/487285798.db2.gz RWPNSWXELDFMMD-UWVGGRQHSA-N 1 3 186.343 1.996 20 0 ADADHO C[C@@H](CCN)[NH2+]C[C@@H](C)C(C)(C)C 399132344 487285817 /nfs/dbraw/zinc/28/58/17/487285817.db2.gz RWPNSWXELDFMMD-ZJUUUORDSA-N 1 3 186.343 1.996 20 0 ADADHO CN(CCC1CCC1)C1CC([NH3+])C1 398933297 487285968 /nfs/dbraw/zinc/28/59/68/487285968.db2.gz RPHLOCBJFRAFRH-UHFFFAOYSA-N 1 3 182.311 1.598 20 0 ADADHO C[N@H+](CCC1CCC1)C1CC(N)C1 398933297 487285971 /nfs/dbraw/zinc/28/59/71/487285971.db2.gz RPHLOCBJFRAFRH-UHFFFAOYSA-N 1 3 182.311 1.598 20 0 ADADHO C[N@@H+](CCC1CCC1)C1CC(N)C1 398933297 487285974 /nfs/dbraw/zinc/28/59/74/487285974.db2.gz RPHLOCBJFRAFRH-UHFFFAOYSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC1CCC1 398723433 487286022 /nfs/dbraw/zinc/28/60/22/487286022.db2.gz QNRWILHLUQUDEO-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC1CCC1 398723433 487286025 /nfs/dbraw/zinc/28/60/25/487286025.db2.gz QNRWILHLUQUDEO-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H](CCN)[NH2+]C[C@H](C)C(C)(C)C 399132343 487286053 /nfs/dbraw/zinc/28/60/53/487286053.db2.gz RWPNSWXELDFMMD-VHSXEESVSA-N 1 3 186.343 1.996 20 0 ADADHO N[C@@H](C[NH2+]Cc1cccs1)C1CC1 399183520 487286068 /nfs/dbraw/zinc/28/60/68/487286068.db2.gz DZHOEBVVSXXLOL-JTQLQIEISA-N 1 3 196.319 1.575 20 0 ADADHO C[NH2+]C[C@H](C)NC[C@@H](C)C(C)(C)C 399139900 487286080 /nfs/dbraw/zinc/28/60/80/487286080.db2.gz WVPRZCDDVXWWDK-ZJUUUORDSA-N 1 3 186.343 1.866 20 0 ADADHO N[C@H](C[NH2+]Cc1cccs1)C1CC1 399183521 487286096 /nfs/dbraw/zinc/28/60/96/487286096.db2.gz DZHOEBVVSXXLOL-SNVBAGLBSA-N 1 3 196.319 1.575 20 0 ADADHO C[C@H](C[NH2+][C@H](C)CCN)C(C)(C)C 399132341 487286105 /nfs/dbraw/zinc/28/61/05/487286105.db2.gz RWPNSWXELDFMMD-NXEZZACHSA-N 1 3 186.343 1.996 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC1CCC1 398723432 487286128 /nfs/dbraw/zinc/28/61/28/487286128.db2.gz QNRWILHLUQUDEO-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC1CCC1 398723432 487286132 /nfs/dbraw/zinc/28/61/32/487286132.db2.gz QNRWILHLUQUDEO-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC1CCC1 398723429 487286164 /nfs/dbraw/zinc/28/61/64/487286164.db2.gz QNRWILHLUQUDEO-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC1CCC1 398723429 487286167 /nfs/dbraw/zinc/28/61/67/487286167.db2.gz QNRWILHLUQUDEO-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC1CCC1 398723430 487286209 /nfs/dbraw/zinc/28/62/09/487286209.db2.gz QNRWILHLUQUDEO-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC1CCC1 398723430 487286213 /nfs/dbraw/zinc/28/62/13/487286213.db2.gz QNRWILHLUQUDEO-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[NH2+]C[C@@H](C)NC[C@H](C)C(C)(C)C 399139899 487286270 /nfs/dbraw/zinc/28/62/70/487286270.db2.gz WVPRZCDDVXWWDK-VHSXEESVSA-N 1 3 186.343 1.866 20 0 ADADHO C[NH2+]C[C@@H](C)NC[C@@H](C)C(C)(C)C 399139897 487286303 /nfs/dbraw/zinc/28/63/03/487286303.db2.gz WVPRZCDDVXWWDK-NXEZZACHSA-N 1 3 186.343 1.866 20 0 ADADHO CNC[C@@H]1CCC[N@@H+]1CCC1CCC1 398747446 487286385 /nfs/dbraw/zinc/28/63/85/487286385.db2.gz ZFXPPWFYODPQPN-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO CNC[C@@H]1CCC[N@H+]1CCC1CCC1 398747446 487286389 /nfs/dbraw/zinc/28/63/89/487286389.db2.gz ZFXPPWFYODPQPN-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO CNC[C@H]1CCC[N@H+]1CCC1CCC1 398747444 487286481 /nfs/dbraw/zinc/28/64/81/487286481.db2.gz ZFXPPWFYODPQPN-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO CNC[C@H]1CCC[N@@H+]1CCC1CCC1 398747444 487286477 /nfs/dbraw/zinc/28/64/77/487286477.db2.gz ZFXPPWFYODPQPN-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO NCCC[N@@H+]1CC[C@@H](C2CC2)C1 400298446 487286715 /nfs/dbraw/zinc/28/67/15/487286715.db2.gz SHJVIIQTEGODPE-SNVBAGLBSA-N 1 3 168.284 1.067 20 0 ADADHO NCCC[N@H+]1CC[C@@H](C2CC2)C1 400298446 487286717 /nfs/dbraw/zinc/28/67/17/487286717.db2.gz SHJVIIQTEGODPE-SNVBAGLBSA-N 1 3 168.284 1.067 20 0 ADADHO CC[C@@]1(C)CC[N@H+](CCCN)C1 399749105 487287151 /nfs/dbraw/zinc/28/71/51/487287151.db2.gz NLVIJNMPOSDKPO-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO CC[C@@]1(C)CC[N@@H+](CCCN)C1 399749105 487287152 /nfs/dbraw/zinc/28/71/52/487287152.db2.gz NLVIJNMPOSDKPO-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO CC1CC(NC[C@H]([NH3+])C2CC2)C1 399200585 487286986 /nfs/dbraw/zinc/28/69/86/487286986.db2.gz NOPHYKYGPUEQKK-GDRRJGKNSA-N 1 3 168.284 1.112 20 0 ADADHO CC1CC(NC[C@@H]([NH3+])C2CC2)C1 399200590 487287052 /nfs/dbraw/zinc/28/70/52/487287052.db2.gz NOPHYKYGPUEQKK-YXGXMSFMSA-N 1 3 168.284 1.112 20 0 ADADHO CC[C@@]1(C)CCN(CCC[NH3+])C1 399749105 487287154 /nfs/dbraw/zinc/28/71/54/487287154.db2.gz NLVIJNMPOSDKPO-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO NCCC[N@@H+]1CC[C@H](C2CC2)C1 400298445 487287164 /nfs/dbraw/zinc/28/71/64/487287164.db2.gz SHJVIIQTEGODPE-JTQLQIEISA-N 1 3 168.284 1.067 20 0 ADADHO NCCC[N@H+]1CC[C@H](C2CC2)C1 400298445 487287166 /nfs/dbraw/zinc/28/71/66/487287166.db2.gz SHJVIIQTEGODPE-JTQLQIEISA-N 1 3 168.284 1.067 20 0 ADADHO CC[C@]1(C)CC[N@H+](CCCN)C1 399749106 487287230 /nfs/dbraw/zinc/28/72/30/487287230.db2.gz NLVIJNMPOSDKPO-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO CC[C@]1(C)CC[N@@H+](CCCN)C1 399749106 487287234 /nfs/dbraw/zinc/28/72/34/487287234.db2.gz NLVIJNMPOSDKPO-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO CC[C@]1(C)CCN(CCC[NH3+])C1 399749106 487287237 /nfs/dbraw/zinc/28/72/37/487287237.db2.gz NLVIJNMPOSDKPO-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CO1 402021530 487289226 /nfs/dbraw/zinc/28/92/26/487289226.db2.gz VSUAIMFJLBABBP-DBIOUOCHSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CO1 402021534 487289255 /nfs/dbraw/zinc/28/92/55/487289255.db2.gz VSUAIMFJLBABBP-YTWAJWBKSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CO1 402021532 487289657 /nfs/dbraw/zinc/28/96/57/487289657.db2.gz VSUAIMFJLBABBP-RCWTZXSCSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CO1 402021537 487289699 /nfs/dbraw/zinc/28/96/99/487289699.db2.gz VSUAIMFJLBABBP-ZNSHCXBVSA-N 1 3 198.310 1.023 20 0 ADADHO CN[C@H]1CC[N@H+](CC2CC=CC2)C1 642826358 487309358 /nfs/dbraw/zinc/30/93/58/487309358.db2.gz OOURQHQDKJTIKI-NSHDSACASA-N 1 3 180.295 1.246 20 0 ADADHO CN[C@H]1CC[N@@H+](CC2CC=CC2)C1 642826358 487309360 /nfs/dbraw/zinc/30/93/60/487309360.db2.gz OOURQHQDKJTIKI-NSHDSACASA-N 1 3 180.295 1.246 20 0 ADADHO CN(CC1CC=CC1)C1CC([NH3+])C1 642844836 487309426 /nfs/dbraw/zinc/30/94/26/487309426.db2.gz OXWPCWOCFQRHNZ-UHFFFAOYSA-N 1 3 180.295 1.374 20 0 ADADHO CC1([NH3+])CCN(CCCF)CC1 642828728 487309430 /nfs/dbraw/zinc/30/94/30/487309430.db2.gz MFNPTCRDADEZPO-UHFFFAOYSA-N 1 3 174.263 1.159 20 0 ADADHO CN[C@@H]1CC[N@H+](CC2CC=CC2)C1 642826357 487309482 /nfs/dbraw/zinc/30/94/82/487309482.db2.gz OOURQHQDKJTIKI-LLVKDONJSA-N 1 3 180.295 1.246 20 0 ADADHO CN[C@@H]1CC[N@@H+](CC2CC=CC2)C1 642826357 487309484 /nfs/dbraw/zinc/30/94/84/487309484.db2.gz OOURQHQDKJTIKI-LLVKDONJSA-N 1 3 180.295 1.246 20 0 ADADHO C[N@H+](CC1(C)CC1)C1CC(N)C1 642858166 487310380 /nfs/dbraw/zinc/31/03/80/487310380.db2.gz RZOVMTRNWBSONL-UHFFFAOYSA-N 1 3 168.284 1.208 20 0 ADADHO C[N@@H+](CC1(C)CC1)C1CC(N)C1 642858166 487310382 /nfs/dbraw/zinc/31/03/82/487310382.db2.gz RZOVMTRNWBSONL-UHFFFAOYSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@H]1C[C@H]1CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 666762282 487334937 /nfs/dbraw/zinc/33/49/37/487334937.db2.gz NXINHCXLVKUSTF-HJWVFBQESA-N 1 3 194.322 1.515 20 0 ADADHO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCCN1 666783896 487339331 /nfs/dbraw/zinc/33/93/31/487339331.db2.gz HGBFXXOIMNFQAU-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCN 666640299 487330802 /nfs/dbraw/zinc/33/08/02/487330802.db2.gz UZOYBTURBHVRKN-GRYCIOLGSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCN 666640299 487330803 /nfs/dbraw/zinc/33/08/03/487330803.db2.gz UZOYBTURBHVRKN-GRYCIOLGSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H](C1CC1)[N@H+](CCCN)C1CC1 666624701 487330864 /nfs/dbraw/zinc/33/08/64/487330864.db2.gz BDHOYYFHQGAWMW-SECBINFHSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H](C1CC1)[N@@H+](CCCN)C1CC1 666624701 487330868 /nfs/dbraw/zinc/33/08/68/487330868.db2.gz BDHOYYFHQGAWMW-SECBINFHSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCN 666640304 487330924 /nfs/dbraw/zinc/33/09/24/487330924.db2.gz UZOYBTURBHVRKN-UTUOFQBUSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCN 666640304 487330927 /nfs/dbraw/zinc/33/09/27/487330927.db2.gz UZOYBTURBHVRKN-UTUOFQBUSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCN 666640301 487330976 /nfs/dbraw/zinc/33/09/76/487330976.db2.gz UZOYBTURBHVRKN-IJLUTSLNSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCN 666640301 487330979 /nfs/dbraw/zinc/33/09/79/487330979.db2.gz UZOYBTURBHVRKN-IJLUTSLNSA-N 1 3 196.338 1.988 20 0 ADADHO [NH3+]CCCN1CCC[C@@H]1c1ccc[nH]1 666611653 487331178 /nfs/dbraw/zinc/33/11/78/487331178.db2.gz XTAJNHLBWBDMCJ-LLVKDONJSA-N 1 3 193.294 1.500 20 0 ADADHO NCCC[N@@H+]1CCC[C@H]1C1CCC1 666636292 487331195 /nfs/dbraw/zinc/33/11/95/487331195.db2.gz NXIVNHYYGROMHU-NSHDSACASA-N 1 3 182.311 1.600 20 0 ADADHO NCCC[N@H+]1CCC[C@H]1C1CCC1 666636292 487331200 /nfs/dbraw/zinc/33/12/00/487331200.db2.gz NXIVNHYYGROMHU-NSHDSACASA-N 1 3 182.311 1.600 20 0 ADADHO C[C@@H]1C[N@@H+](CCCN)[C@@H]2CCCC[C@@H]12 666654497 487332545 /nfs/dbraw/zinc/33/25/45/487332545.db2.gz JBTRPEFAILFAKB-GRYCIOLGSA-N 1 3 196.338 1.846 20 0 ADADHO [NH3+]CCCN1CCC[C@H]1c1ccc[nH]1 666611654 487331237 /nfs/dbraw/zinc/33/12/37/487331237.db2.gz XTAJNHLBWBDMCJ-NSHDSACASA-N 1 3 193.294 1.500 20 0 ADADHO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCN 666640307 487331429 /nfs/dbraw/zinc/33/14/29/487331429.db2.gz UZOYBTURBHVRKN-WOPDTQHZSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCN 666640307 487331432 /nfs/dbraw/zinc/33/14/32/487331432.db2.gz UZOYBTURBHVRKN-WOPDTQHZSA-N 1 3 196.338 1.988 20 0 ADADHO CC[C@]1(C)CCC[N@H+](CCCN)C1 666641002 487331460 /nfs/dbraw/zinc/33/14/60/487331460.db2.gz BRSRTGNVJQCMKW-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO CC[C@]1(C)CCC[N@@H+](CCCN)C1 666641002 487331463 /nfs/dbraw/zinc/33/14/63/487331463.db2.gz BRSRTGNVJQCMKW-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO CC[C@]1(C)CCCN(CCC[NH3+])C1 666641002 487331464 /nfs/dbraw/zinc/33/14/64/487331464.db2.gz BRSRTGNVJQCMKW-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO NCCC[N@@H+]1CCC[C@@H]1C1CCC1 666636291 487331500 /nfs/dbraw/zinc/33/15/00/487331500.db2.gz NXIVNHYYGROMHU-LLVKDONJSA-N 1 3 182.311 1.600 20 0 ADADHO NCCC[N@H+]1CCC[C@@H]1C1CCC1 666636291 487331503 /nfs/dbraw/zinc/33/15/03/487331503.db2.gz NXIVNHYYGROMHU-LLVKDONJSA-N 1 3 182.311 1.600 20 0 ADADHO C[C@@H](C1CC1)[N@H+](CCCN)C1CC1 666624703 487331538 /nfs/dbraw/zinc/33/15/38/487331538.db2.gz BDHOYYFHQGAWMW-VIFPVBQESA-N 1 3 182.311 1.598 20 0 ADADHO C[C@@H](C1CC1)[N@@H+](CCCN)C1CC1 666624703 487331540 /nfs/dbraw/zinc/33/15/40/487331540.db2.gz BDHOYYFHQGAWMW-VIFPVBQESA-N 1 3 182.311 1.598 20 0 ADADHO C[C@@H]1C[N@H+](CCCN)[C@H]2CCCC[C@@H]12 666654500 487331773 /nfs/dbraw/zinc/33/17/73/487331773.db2.gz JBTRPEFAILFAKB-WOPDTQHZSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[N@@H+](CCCN)[C@H]2CCCC[C@@H]12 666654500 487331776 /nfs/dbraw/zinc/33/17/76/487331776.db2.gz JBTRPEFAILFAKB-WOPDTQHZSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@]1(C)CCC[N@H+](CCCN)C1 666641003 487331852 /nfs/dbraw/zinc/33/18/52/487331852.db2.gz BRSRTGNVJQCMKW-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO CC[C@@]1(C)CCC[N@@H+](CCCN)C1 666641003 487331856 /nfs/dbraw/zinc/33/18/56/487331856.db2.gz BRSRTGNVJQCMKW-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO CC[C@@]1(C)CCCN(CCC[NH3+])C1 666641003 487331859 /nfs/dbraw/zinc/33/18/59/487331859.db2.gz BRSRTGNVJQCMKW-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO CC(C)[C@@H]1CCC[N@H+](CCCN)C1 666691972 487331890 /nfs/dbraw/zinc/33/18/90/487331890.db2.gz CIPIHMIYOBYPND-LLVKDONJSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)[C@@H]1CCC[N@@H+](CCCN)C1 666691972 487331893 /nfs/dbraw/zinc/33/18/93/487331893.db2.gz CIPIHMIYOBYPND-LLVKDONJSA-N 1 3 184.327 1.703 20 0 ADADHO CC1CCC(C)([NH2+]CCCN)CC1 666652167 487331928 /nfs/dbraw/zinc/33/19/28/487331928.db2.gz CGHXJEDWIQIKIN-UHFFFAOYSA-N 1 3 184.327 1.894 20 0 ADADHO CCC[C@H]1CCC[N@H+](CCCN)C1 666646041 487332147 /nfs/dbraw/zinc/33/21/47/487332147.db2.gz NEGVTXOPWTTYDF-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO CCC[C@H]1CCC[N@@H+](CCCN)C1 666646041 487332150 /nfs/dbraw/zinc/33/21/50/487332150.db2.gz NEGVTXOPWTTYDF-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO CCC[C@H]1CCCN(CCC[NH3+])C1 666646041 487332154 /nfs/dbraw/zinc/33/21/54/487332154.db2.gz NEGVTXOPWTTYDF-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO C[C@@H]1C[N@H+](CCCN)[C@@H]2CCCC[C@H]12 666654498 487332321 /nfs/dbraw/zinc/33/23/21/487332321.db2.gz JBTRPEFAILFAKB-IJLUTSLNSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[N@@H+](CCCN)[C@@H]2CCCC[C@H]12 666654498 487332322 /nfs/dbraw/zinc/33/23/22/487332322.db2.gz JBTRPEFAILFAKB-IJLUTSLNSA-N 1 3 196.338 1.846 20 0 ADADHO CCC[C@@H]1CCC[N@H+](CCCN)C1 666646040 487332376 /nfs/dbraw/zinc/33/23/76/487332376.db2.gz NEGVTXOPWTTYDF-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO CCC[C@@H]1CCC[N@@H+](CCCN)C1 666646040 487332379 /nfs/dbraw/zinc/33/23/79/487332379.db2.gz NEGVTXOPWTTYDF-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO CCC[C@@H]1CCCN(CCC[NH3+])C1 666646040 487332382 /nfs/dbraw/zinc/33/23/82/487332382.db2.gz NEGVTXOPWTTYDF-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO CC(C)[C@H]1CCC[N@H+](CCCN)C1 666691973 487332407 /nfs/dbraw/zinc/33/24/07/487332407.db2.gz CIPIHMIYOBYPND-NSHDSACASA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)[C@H]1CCC[N@@H+](CCCN)C1 666691973 487332409 /nfs/dbraw/zinc/33/24/09/487332409.db2.gz CIPIHMIYOBYPND-NSHDSACASA-N 1 3 184.327 1.703 20 0 ADADHO C[C@@H]1C[N@H+](CCCN)[C@H]2CCCC[C@H]12 666654499 487332417 /nfs/dbraw/zinc/33/24/17/487332417.db2.gz JBTRPEFAILFAKB-UTUOFQBUSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[N@@H+](CCCN)[C@H]2CCCC[C@H]12 666654499 487332419 /nfs/dbraw/zinc/33/24/19/487332419.db2.gz JBTRPEFAILFAKB-UTUOFQBUSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[N@H+](CCCN)[C@@H]2CCCC[C@@H]12 666654497 487332541 /nfs/dbraw/zinc/33/25/41/487332541.db2.gz JBTRPEFAILFAKB-GRYCIOLGSA-N 1 3 196.338 1.846 20 0 ADADHO NCCC[N@@H+](CC1CCC1)CC1CC1 666715315 487332963 /nfs/dbraw/zinc/33/29/63/487332963.db2.gz STGGPXGLXRUERL-UHFFFAOYSA-N 1 3 196.338 1.847 20 0 ADADHO NCCC[N@H+](CC1CCC1)CC1CC1 666715315 487332966 /nfs/dbraw/zinc/33/29/66/487332966.db2.gz STGGPXGLXRUERL-UHFFFAOYSA-N 1 3 196.338 1.847 20 0 ADADHO C[C@H](CC1CCC1)[NH2+]C1CCNCC1 666736522 487333459 /nfs/dbraw/zinc/33/34/59/487333459.db2.gz CMTJHLWLKUHVDN-SNVBAGLBSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](CC1CCC1)[NH2+]C1CCNCC1 666736521 487333528 /nfs/dbraw/zinc/33/35/28/487333528.db2.gz CMTJHLWLKUHVDN-JTQLQIEISA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1C[C@@H]1CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 666762285 487334854 /nfs/dbraw/zinc/33/48/54/487334854.db2.gz NXINHCXLVKUSTF-ZLZKJVMXSA-N 1 3 194.322 1.515 20 0 ADADHO C[C@@H]1C[C@@H]1CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 666762283 487334906 /nfs/dbraw/zinc/33/49/06/487334906.db2.gz NXINHCXLVKUSTF-JPIWQCGSSA-N 1 3 194.322 1.515 20 0 ADADHO C[C@@H]1C[C@H]1CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 666762284 487335155 /nfs/dbraw/zinc/33/51/55/487335155.db2.gz NXINHCXLVKUSTF-OGZKGVCFSA-N 1 3 194.322 1.515 20 0 ADADHO CC(C)CCNC1C[C@@H]2CC[C@H](C1)[NH2+]2 666762275 487335234 /nfs/dbraw/zinc/33/52/34/487335234.db2.gz LYJQFICRBLXUHG-FOSCPWQOSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+]C[C@H]1C[C@H]1C)[C@H]1CCCNC1 666774780 487335611 /nfs/dbraw/zinc/33/56/11/487335611.db2.gz TYJQIPKKQUBROR-NOOOWODRSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H](C)[C@H]1CCCNC1 666774781 487335636 /nfs/dbraw/zinc/33/56/36/487335636.db2.gz TYJQIPKKQUBROR-WISYIIOYSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]([NH2+]C[C@H]1C[C@H]1C)[C@@H]1CCCNC1 666774782 487335883 /nfs/dbraw/zinc/33/58/83/487335883.db2.gz TYJQIPKKQUBROR-WRWGMCAJSA-N 1 3 196.338 1.620 20 0 ADADHO CC(C)C[NH2+][C@H](C)[C@@H]1CCCNC1 666774232 487335968 /nfs/dbraw/zinc/33/59/68/487335968.db2.gz UYOBEOPOXYMFGW-GHMZBOCLSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCCNC1 666774241 487336093 /nfs/dbraw/zinc/33/60/93/487336093.db2.gz VTLNPNNTMDMNQY-GXSJLCMTSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCCNC1 666774242 487336234 /nfs/dbraw/zinc/33/62/34/487336234.db2.gz VTLNPNNTMDMNQY-KOLCDFICSA-N 1 3 182.311 1.374 20 0 ADADHO CC(C)C[NH2+][C@@H](C)[C@H]1CCCNC1 666774234 487336246 /nfs/dbraw/zinc/33/62/46/487336246.db2.gz UYOBEOPOXYMFGW-QWRGUYRKSA-N 1 3 184.327 1.620 20 0 ADADHO CC(C)C[NH2+][C@H](C)[C@H]1CCCNC1 666774233 487336292 /nfs/dbraw/zinc/33/62/92/487336292.db2.gz UYOBEOPOXYMFGW-MNOVXSKESA-N 1 3 184.327 1.620 20 0 ADADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCNC1 666774243 487336298 /nfs/dbraw/zinc/33/62/98/487336298.db2.gz VTLNPNNTMDMNQY-MWLCHTKSSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCNC1 666774779 487336314 /nfs/dbraw/zinc/33/63/14/487336314.db2.gz TYJQIPKKQUBROR-DDHJBXDOSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCCNC1 666774244 487336329 /nfs/dbraw/zinc/33/63/29/487336329.db2.gz VTLNPNNTMDMNQY-ONGXEEELSA-N 1 3 182.311 1.374 20 0 ADADHO CC(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 666774235 487336352 /nfs/dbraw/zinc/33/63/52/487336352.db2.gz UYOBEOPOXYMFGW-WDEREUQCSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCN[C@@H](C)CC1CCC1 666778884 487336742 /nfs/dbraw/zinc/33/67/42/487336742.db2.gz OOZOCWBFFWGPKP-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CCCC(CCC)NCC[NH2+]C 666779011 487336754 /nfs/dbraw/zinc/33/67/54/487336754.db2.gz XOSSIDMHRPIRFX-UHFFFAOYSA-N 1 3 172.316 1.764 20 0 ADADHO C[NH2+]CCNC1C[C@H](C)C[C@@H](C)C1 666778896 487336809 /nfs/dbraw/zinc/33/68/09/487336809.db2.gz QITDLWFWERVUHY-NXEZZACHSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCNC1C[C@@H](C)C[C@H](C)C1 666778899 487336829 /nfs/dbraw/zinc/33/68/29/487336829.db2.gz QITDLWFWERVUHY-UWVGGRQHSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCN[C@@H]1CC[C@H](C)[C@H](C)C1 666778879 487336856 /nfs/dbraw/zinc/33/68/56/487336856.db2.gz OGCFNCLULSJCNQ-HBNTYKKESA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCN[C@@H]1CC[C@@H](C)[C@@H](C)C1 666778880 487336872 /nfs/dbraw/zinc/33/68/72/487336872.db2.gz OGCFNCLULSJCNQ-OUAUKWLOSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCN[C@@H]1CC[C@@H](C)C[C@H]1C 666778992 487336906 /nfs/dbraw/zinc/33/69/06/487336906.db2.gz WGCKIQFZWRHILP-GMTAPVOTSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCNC[C@H]1CCCC[C@H]1C 666778324 487336914 /nfs/dbraw/zinc/33/69/14/487336914.db2.gz JZCWVZVHDAGXCD-GHMZBOCLSA-N 1 3 184.327 1.622 20 0 ADADHO C[NH2+]CCNC[C@@H]1CCCC[C@@H]1C 666778326 487336937 /nfs/dbraw/zinc/33/69/37/487336937.db2.gz JZCWVZVHDAGXCD-QWRGUYRKSA-N 1 3 184.327 1.622 20 0 ADADHO CCC1CCC(NCC[NH2+]C)CC1 666778847 487336944 /nfs/dbraw/zinc/33/69/44/487336944.db2.gz JFQFWQBXBPZAAO-UHFFFAOYSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@H]1CCCCC1(C)C 666779008 487336952 /nfs/dbraw/zinc/33/69/52/487336952.db2.gz XIORMBYDWNHLDK-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCNC[C@H]1CCCC[C@@H]1C 666778327 487336959 /nfs/dbraw/zinc/33/69/59/487336959.db2.gz JZCWVZVHDAGXCD-WDEREUQCSA-N 1 3 184.327 1.622 20 0 ADADHO C[NH2+]CCN[C@H](C)CC1CCC1 666778883 487336979 /nfs/dbraw/zinc/33/69/79/487336979.db2.gz OOZOCWBFFWGPKP-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@H]1CCCC1(C)C 666778998 487336995 /nfs/dbraw/zinc/33/69/95/487336995.db2.gz XDDQSPJAMXYWIF-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@@H]1CC[C@@H](C)[C@H](C)C1 666778877 487337044 /nfs/dbraw/zinc/33/70/44/487337044.db2.gz OGCFNCLULSJCNQ-GMTAPVOTSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCNC[C@@H]1CCCC[C@H]1C 666778325 487337049 /nfs/dbraw/zinc/33/70/49/487337049.db2.gz JZCWVZVHDAGXCD-MNOVXSKESA-N 1 3 184.327 1.622 20 0 ADADHO C[NH2+]CCN[C@@H]1CC[C@H](C)C[C@@H]1C 666778991 487337080 /nfs/dbraw/zinc/33/70/80/487337080.db2.gz WGCKIQFZWRHILP-GARJFASQSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCNC1CCC(C)(C)CC1 666778881 487337162 /nfs/dbraw/zinc/33/71/62/487337162.db2.gz OGEFMDHDIWNEKL-UHFFFAOYSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@@H]1CCCCC1(C)C 666779010 487337211 /nfs/dbraw/zinc/33/72/11/487337211.db2.gz XIORMBYDWNHLDK-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@@H]1CC[C@@H](C)C[C@@H]1C 666778995 487337225 /nfs/dbraw/zinc/33/72/25/487337225.db2.gz WGCKIQFZWRHILP-OUAUKWLOSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCN[C@@H]1C[C@@H](C)C[C@@H](C)C1 666778897 487337234 /nfs/dbraw/zinc/33/72/34/487337234.db2.gz QITDLWFWERVUHY-URLYPYJESA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCN[C@@H](C)CC1CCCC1 666778839 487337254 /nfs/dbraw/zinc/33/72/54/487337254.db2.gz HKYISLXJONTLMR-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@@H]1CC[C@H](C)[C@@H](C)C1 666778876 487337262 /nfs/dbraw/zinc/33/72/62/487337262.db2.gz OGCFNCLULSJCNQ-GARJFASQSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCN[C@H](C)CC1CCCC1 666778840 487337270 /nfs/dbraw/zinc/33/72/70/487337270.db2.gz HKYISLXJONTLMR-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@@H]1CC[C@H](C)C[C@H]1C 666778993 487337309 /nfs/dbraw/zinc/33/73/09/487337309.db2.gz WGCKIQFZWRHILP-HBNTYKKESA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCN[C@@H]1CCCC1(C)C 666778996 487337371 /nfs/dbraw/zinc/33/73/71/487337371.db2.gz XDDQSPJAMXYWIF-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@@H]1CCC[C@@H](C2CC2)C1 666779030 487337769 /nfs/dbraw/zinc/33/77/69/487337769.db2.gz ZCPJUAZDXLPGDR-VXGBXAGGSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@H]1CCC[C@H](NCC[NH2+]C)C1 666779035 487337665 /nfs/dbraw/zinc/33/76/65/487337665.db2.gz ZJHFXBCJCCIQNK-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@@H]1CCC[C@@H]1C 666781609 487337682 /nfs/dbraw/zinc/33/76/82/487337682.db2.gz YYVXNCIHKHZQPM-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@@H]1CCC[C@H](NCC[NH2+]C)C1 666779034 487337718 /nfs/dbraw/zinc/33/77/18/487337718.db2.gz ZJHFXBCJCCIQNK-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@@H]1CCC[C@H]1C 666781607 487337727 /nfs/dbraw/zinc/33/77/27/487337727.db2.gz YYVXNCIHKHZQPM-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@H](C)C1CCCCC1 666779473 487337737 /nfs/dbraw/zinc/33/77/37/487337737.db2.gz LWPXWBRFUCSQPV-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H]1CCC[C@@H](NCC[NH2+]C)C1 666779033 487337752 /nfs/dbraw/zinc/33/77/52/487337752.db2.gz ZJHFXBCJCCIQNK-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@H]1CCC[C@@H](NCC[NH2+]C)C1 666779036 487337760 /nfs/dbraw/zinc/33/77/60/487337760.db2.gz ZJHFXBCJCCIQNK-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@H]1CCC[C@H]1C 666781610 487337777 /nfs/dbraw/zinc/33/77/77/487337777.db2.gz YYVXNCIHKHZQPM-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@H]1CCC[C@@H]1C(C)C 666779496 487337821 /nfs/dbraw/zinc/33/78/21/487337821.db2.gz SKDLRKAHQIAIAW-MNOVXSKESA-N 1 3 184.327 1.620 20 0 ADADHO CC[NH2+]CCN[C@H]1CCCC1(C)C 666781595 487337858 /nfs/dbraw/zinc/33/78/58/487337858.db2.gz XUKAULJHIBXPMY-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@H](C)C1CCC1 666782333 487337863 /nfs/dbraw/zinc/33/78/63/487337863.db2.gz OTHPIEDKPFDETH-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCNC[C@@H](C)CC(C)C 666779506 487337877 /nfs/dbraw/zinc/33/78/77/487337877.db2.gz WPDKPDUYWPKBJD-JTQLQIEISA-N 1 3 172.316 1.478 20 0 ADADHO CCCC[C@@H](CC)NCC[NH2+]C 666779038 487337905 /nfs/dbraw/zinc/33/79/05/487337905.db2.gz ZJJHEKAJIBYVEQ-SNVBAGLBSA-N 1 3 172.316 1.764 20 0 ADADHO CCCC[C@H](CC)NCC[NH2+]C 666779037 487337963 /nfs/dbraw/zinc/33/79/63/487337963.db2.gz ZJJHEKAJIBYVEQ-JTQLQIEISA-N 1 3 172.316 1.764 20 0 ADADHO CC[NH2+]CCN[C@@H]1CCCC1(C)C 666781596 487337970 /nfs/dbraw/zinc/33/79/70/487337970.db2.gz XUKAULJHIBXPMY-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCNC[C@H](C)CC(C)C 666779507 487337984 /nfs/dbraw/zinc/33/79/84/487337984.db2.gz WPDKPDUYWPKBJD-SNVBAGLBSA-N 1 3 172.316 1.478 20 0 ADADHO CC[NH2+]CCN[C@H](C)CC1CCC1 666782318 487337999 /nfs/dbraw/zinc/33/79/99/487337999.db2.gz KPWLYFRNGGDOIJ-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@@H]1CCC[C@H](C2CC2)C1 666779028 487338006 /nfs/dbraw/zinc/33/80/06/487338006.db2.gz ZCPJUAZDXLPGDR-NWDGAFQWSA-N 1 3 196.338 1.764 20 0 ADADHO CC[NH2+]CCN[C@@H](C)C1CCC1 666782334 487338056 /nfs/dbraw/zinc/33/80/56/487338056.db2.gz OTHPIEDKPFDETH-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@@H]1CCC[C@H]1C(C)C 666779498 487338066 /nfs/dbraw/zinc/33/80/66/487338066.db2.gz SKDLRKAHQIAIAW-WDEREUQCSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCN[C@@H](C)C1CCCCC1 666779472 487338181 /nfs/dbraw/zinc/33/81/81/487338181.db2.gz LWPXWBRFUCSQPV-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CCC[C@H](CC)NCC[NH2+]CC 666782311 487338193 /nfs/dbraw/zinc/33/81/93/487338193.db2.gz JIPRBWYLDLSTBT-JTQLQIEISA-N 1 3 172.316 1.764 20 0 ADADHO CC[NH2+]CCNC[C@H](C)CC(C)C 666782352 487338234 /nfs/dbraw/zinc/33/82/34/487338234.db2.gz VYKYDJUCKQQTGN-LLVKDONJSA-N 1 3 186.343 1.868 20 0 ADADHO CC[NH2+]CCN[C@H](C)CC1CC1 666782297 487338243 /nfs/dbraw/zinc/33/82/43/487338243.db2.gz GJIFVTHILFFHDU-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@H]1CCC[C@H]1C(C)C 666779497 487338263 /nfs/dbraw/zinc/33/82/63/487338263.db2.gz SKDLRKAHQIAIAW-QWRGUYRKSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCN[C@H]1CCC[C@H](C2CC2)C1 666779029 487338283 /nfs/dbraw/zinc/33/82/83/487338283.db2.gz ZCPJUAZDXLPGDR-RYUDHWBXSA-N 1 3 196.338 1.764 20 0 ADADHO C[NH2+]CCN[C@@H]1CCC[C@@H]1C(C)C 666779495 487338311 /nfs/dbraw/zinc/33/83/11/487338311.db2.gz SKDLRKAHQIAIAW-GHMZBOCLSA-N 1 3 184.327 1.620 20 0 ADADHO CCC[C@@H](CC)NCC[NH2+]CC 666782312 487338353 /nfs/dbraw/zinc/33/83/53/487338353.db2.gz JIPRBWYLDLSTBT-SNVBAGLBSA-N 1 3 172.316 1.764 20 0 ADADHO CC[NH2+]CCN[C@@H](C)CC1CC1 666782298 487338392 /nfs/dbraw/zinc/33/83/92/487338392.db2.gz GJIFVTHILFFHDU-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CC[NH2+]CCN[C@@H](C)CC1CCC1 666782317 487338472 /nfs/dbraw/zinc/33/84/72/487338472.db2.gz KPWLYFRNGGDOIJ-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@H]1CCC[C@@H]1C 666781608 487338488 /nfs/dbraw/zinc/33/84/88/487338488.db2.gz YYVXNCIHKHZQPM-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@H]1CCC[C@@H](C2CC2)C1 666779027 487338445 /nfs/dbraw/zinc/33/84/45/487338445.db2.gz ZCPJUAZDXLPGDR-NEPJUHHUSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCCN1 666783899 487338700 /nfs/dbraw/zinc/33/87/00/487338700.db2.gz HGBFXXOIMNFQAU-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO CC[NH2+]CCNC[C@@H](C)CC(C)C 666782353 487339095 /nfs/dbraw/zinc/33/90/95/487339095.db2.gz VYKYDJUCKQQTGN-NSHDSACASA-N 1 3 186.343 1.868 20 0 ADADHO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCCN1 666783897 487339116 /nfs/dbraw/zinc/33/91/16/487339116.db2.gz HGBFXXOIMNFQAU-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCCN1 666783898 487339257 /nfs/dbraw/zinc/33/92/57/487339257.db2.gz HGBFXXOIMNFQAU-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO CNCCC[NH2+][C@@H]1CCC[C@H](C)C1 666807434 487339359 /nfs/dbraw/zinc/33/93/59/487339359.db2.gz LBHPSMNNZWOPGY-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@H](C)C1CCC1 666808056 487339379 /nfs/dbraw/zinc/33/93/79/487339379.db2.gz CVSUJKWXHDNAPQ-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[NH2+][C@@H]1CCC[C@H]1C 666807481 487339398 /nfs/dbraw/zinc/33/93/98/487339398.db2.gz OLDIYNQEKPPZRU-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO CCC[C@H](CC)[NH2+]CCCNC 666808126 487339424 /nfs/dbraw/zinc/33/94/24/487339424.db2.gz UTQNNNXNPQKXAG-JTQLQIEISA-N 1 3 172.316 1.764 20 0 ADADHO CNCCC[NH2+][C@H](C)CC1CCC1 666808143 487339442 /nfs/dbraw/zinc/33/94/42/487339442.db2.gz XQIKYCOMLMHYDE-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+]C[C@@H](C)CC(C)C 666808106 487339459 /nfs/dbraw/zinc/33/94/59/487339459.db2.gz OTLKEXXXOWGEFR-NSHDSACASA-N 1 3 186.343 1.868 20 0 ADADHO CNCCC[NH2+][C@@H]1CCC[C@@H]1C 666807483 487339466 /nfs/dbraw/zinc/33/94/66/487339466.db2.gz OLDIYNQEKPPZRU-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[NH2+][C@@H](C)CC1CCC1 666808142 487339557 /nfs/dbraw/zinc/33/95/57/487339557.db2.gz XQIKYCOMLMHYDE-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@@H](C)C1CCC1 666808057 487339611 /nfs/dbraw/zinc/33/96/11/487339611.db2.gz CVSUJKWXHDNAPQ-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[NH2+][C@H]1CCC[C@@H]1C 666807482 487339629 /nfs/dbraw/zinc/33/96/29/487339629.db2.gz OLDIYNQEKPPZRU-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[NH2+][C@H]1CCCC[C@@H]1C 666807711 487339670 /nfs/dbraw/zinc/33/96/70/487339670.db2.gz ZLIHAXPKWDCJGN-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CCC[C@@H](CC)[NH2+]CCCNC 666808127 487339696 /nfs/dbraw/zinc/33/96/96/487339696.db2.gz UTQNNNXNPQKXAG-SNVBAGLBSA-N 1 3 172.316 1.764 20 0 ADADHO CNCCC[NH2+][C@H]1CCCC1(C)C 666808045 487339726 /nfs/dbraw/zinc/33/97/26/487339726.db2.gz AHIXKFRWZNXRTI-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@@H]1CCC[C@@H](C)C1 666807429 487339752 /nfs/dbraw/zinc/33/97/52/487339752.db2.gz LBHPSMNNZWOPGY-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@@H]1CCCC[C@H]1C 666807708 487339836 /nfs/dbraw/zinc/33/98/36/487339836.db2.gz ZLIHAXPKWDCJGN-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@H]1CCCC[C@H]1C 666807710 487339873 /nfs/dbraw/zinc/33/98/73/487339873.db2.gz ZLIHAXPKWDCJGN-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@@H]1CCCC1(C)C 666808046 487339907 /nfs/dbraw/zinc/33/99/07/487339907.db2.gz AHIXKFRWZNXRTI-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@@H]1CCCC[C@@H]1C 666807713 487339969 /nfs/dbraw/zinc/33/99/69/487339969.db2.gz ZLIHAXPKWDCJGN-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+]C1CCC(C)CC1 666807645 487339992 /nfs/dbraw/zinc/33/99/92/487339992.db2.gz VUABKVLDHUWMMQ-UHFFFAOYSA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@H]1CCC[C@@H](C)C1 666807431 487340050 /nfs/dbraw/zinc/34/00/50/487340050.db2.gz LBHPSMNNZWOPGY-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@H]1CCC[C@H]1C 666807484 487340108 /nfs/dbraw/zinc/34/01/08/487340108.db2.gz OLDIYNQEKPPZRU-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[NH2+]C[C@H](C)CC(C)C 666808105 487340137 /nfs/dbraw/zinc/34/01/37/487340137.db2.gz OTLKEXXXOWGEFR-LLVKDONJSA-N 1 3 186.343 1.868 20 0 ADADHO CNCCC[NH2+][C@H]1CCC[C@H](C)C1 666807432 487340166 /nfs/dbraw/zinc/34/01/66/487340166.db2.gz LBHPSMNNZWOPGY-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO C[C@@H](CC1CCC1)N[C@@H]1CCC[NH2+]C1 666814513 487340343 /nfs/dbraw/zinc/34/03/43/487340343.db2.gz DUBDDDKJTFGZRN-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](CC1CCC1)N[C@@H]1CCC[NH2+]C1 666814516 487340380 /nfs/dbraw/zinc/34/03/80/487340380.db2.gz DUBDDDKJTFGZRN-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](CC1CCC1)N[C@H]1CCC[NH2+]C1 666814515 487340430 /nfs/dbraw/zinc/34/04/30/487340430.db2.gz DUBDDDKJTFGZRN-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN 666826665 487340439 /nfs/dbraw/zinc/34/04/39/487340439.db2.gz JQOUOMDFGKUPCP-WOPDTQHZSA-N 1 3 198.354 1.996 20 0 ADADHO CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@H](C)CN 666826663 487340594 /nfs/dbraw/zinc/34/05/94/487340594.db2.gz JQOUOMDFGKUPCP-IJLUTSLNSA-N 1 3 198.354 1.996 20 0 ADADHO CCC[NH2+]CCN[C@@H]1CCC[C@H]1C 666820066 487340466 /nfs/dbraw/zinc/34/04/66/487340466.db2.gz TVDGXIVPBKAQJP-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN 666826662 487340518 /nfs/dbraw/zinc/34/05/18/487340518.db2.gz JQOUOMDFGKUPCP-GRYCIOLGSA-N 1 3 198.354 1.996 20 0 ADADHO CCC[NH2+]CCN[C@H](C)C1CCC1 666820889 487340650 /nfs/dbraw/zinc/34/06/50/487340650.db2.gz QYVPFWPPZFKKFX-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H](C)CC1CCC1 666826697 487340871 /nfs/dbraw/zinc/34/08/71/487340871.db2.gz RGIPECAMZIKMBP-VHSXEESVSA-N 1 3 184.327 1.750 20 0 ADADHO CCC[NH2+]CCN[C@@H](C)C1CCC1 666820887 487340723 /nfs/dbraw/zinc/34/07/23/487340723.db2.gz QYVPFWPPZFKKFX-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO C[C@@H](CC1CCC1)[NH2+]C[C@H](C)CN 666826698 487340751 /nfs/dbraw/zinc/34/07/51/487340751.db2.gz RGIPECAMZIKMBP-ZJUUUORDSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCN[C@H](C)C1 666874241 487344611 /nfs/dbraw/zinc/34/46/11/487344611.db2.gz QSWNUHNQFKVZTH-IRCOFANPSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H](C)CC1CCC1 666826696 487340789 /nfs/dbraw/zinc/34/07/89/487340789.db2.gz RGIPECAMZIKMBP-UWVGGRQHSA-N 1 3 184.327 1.750 20 0 ADADHO CCC[NH2+]CCN[C@H]1CCC[C@H]1C 666820067 487340814 /nfs/dbraw/zinc/34/08/14/487340814.db2.gz TVDGXIVPBKAQJP-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO C[C@@H](CC1CCC1)N[C@H]1CCC[NH2+]C1 666814514 487340826 /nfs/dbraw/zinc/34/08/26/487340826.db2.gz DUBDDDKJTFGZRN-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](CN)C[NH2+][C@H](C)CC1CCC1 666826695 487340848 /nfs/dbraw/zinc/34/08/48/487340848.db2.gz RGIPECAMZIKMBP-NXEZZACHSA-N 1 3 184.327 1.750 20 0 ADADHO CCC[NH2+]CCN[C@@H]1CCC[C@@H]1C 666820069 487340862 /nfs/dbraw/zinc/34/08/62/487340862.db2.gz TVDGXIVPBKAQJP-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CCC[NH2+]CCN[C@H]1CCC[C@@H]1C 666820068 487340890 /nfs/dbraw/zinc/34/08/90/487340890.db2.gz TVDGXIVPBKAQJP-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN 666826664 487340896 /nfs/dbraw/zinc/34/08/96/487340896.db2.gz JQOUOMDFGKUPCP-UTUOFQBUSA-N 1 3 198.354 1.996 20 0 ADADHO CC(C)C[C@H](C)C[NH2+]C[C@H](C)CN 666827641 487341031 /nfs/dbraw/zinc/34/10/31/487341031.db2.gz XBEXQFNQKNIZJR-WDEREUQCSA-N 1 3 186.343 1.853 20 0 ADADHO C[C@H](CCN)[NH2+][C@H](C)C1CCC1 666833185 487341059 /nfs/dbraw/zinc/34/10/59/487341059.db2.gz IOCOCXYDFZSFIJ-RKDXNWHRSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@@H](CCN)[NH2+][C@@H](C)C1CCC1 666833184 487341165 /nfs/dbraw/zinc/34/11/65/487341165.db2.gz IOCOCXYDFZSFIJ-IUCAKERBSA-N 1 3 170.300 1.502 20 0 ADADHO CC(C)C[C@@H](C)C[NH2+]C[C@H](C)CN 666827638 487341314 /nfs/dbraw/zinc/34/13/14/487341314.db2.gz XBEXQFNQKNIZJR-GHMZBOCLSA-N 1 3 186.343 1.853 20 0 ADADHO CC(C)C[C@H](C)C[NH2+][C@@H](C)CCN 666833178 487341328 /nfs/dbraw/zinc/34/13/28/487341328.db2.gz GSMBPTMZTOUUKS-QWRGUYRKSA-N 1 3 186.343 1.996 20 0 ADADHO CC(C)C[C@@H](C)C[NH2+][C@H](C)CCN 666833176 487341362 /nfs/dbraw/zinc/34/13/62/487341362.db2.gz GSMBPTMZTOUUKS-GHMZBOCLSA-N 1 3 186.343 1.996 20 0 ADADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)CN 666827639 487341468 /nfs/dbraw/zinc/34/14/68/487341468.db2.gz XBEXQFNQKNIZJR-MNOVXSKESA-N 1 3 186.343 1.853 20 0 ADADHO C[C@H]([NH2+][C@H](C)CCN)C1CCC1 666833182 487341497 /nfs/dbraw/zinc/34/14/97/487341497.db2.gz IOCOCXYDFZSFIJ-BDAKNGLRSA-N 1 3 170.300 1.502 20 0 ADADHO CC(C)C[C@H](C)C[NH2+][C@H](C)CCN 666833179 487341547 /nfs/dbraw/zinc/34/15/47/487341547.db2.gz GSMBPTMZTOUUKS-WDEREUQCSA-N 1 3 186.343 1.996 20 0 ADADHO CC(C)C[C@@H](C)C[NH2+][C@@H](C)CCN 666833177 487341577 /nfs/dbraw/zinc/34/15/77/487341577.db2.gz GSMBPTMZTOUUKS-MNOVXSKESA-N 1 3 186.343 1.996 20 0 ADADHO C[C@@H](CCN)[NH2+][C@H](C)C1CCC1 666833183 487341584 /nfs/dbraw/zinc/34/15/84/487341584.db2.gz IOCOCXYDFZSFIJ-DTWKUNHWSA-N 1 3 170.300 1.502 20 0 ADADHO CC(C)C[C@H](C)C[NH2+]C[C@@H](C)CN 666827640 487341630 /nfs/dbraw/zinc/34/16/30/487341630.db2.gz XBEXQFNQKNIZJR-QWRGUYRKSA-N 1 3 186.343 1.853 20 0 ADADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)C)CCN1 666873242 487344040 /nfs/dbraw/zinc/34/40/40/487344040.db2.gz KUDFSAQYVNKWPD-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C)CCN1 666874250 487344044 /nfs/dbraw/zinc/34/40/44/487344044.db2.gz UCZVFDVHTOSTKM-CHWFTXMASA-N 1 3 182.311 1.373 20 0 ADADHO CC[C@H](C)C[NH2+][C@H]1CCN[C@@H](C)C1 666874223 487344050 /nfs/dbraw/zinc/34/40/50/487344050.db2.gz KBPRLRFASYUJBB-DCAQKATOSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H]1C[C@H]1C[NH2+][C@@H]1CCN[C@H](C)C1 666874253 487344066 /nfs/dbraw/zinc/34/40/66/487344066.db2.gz UCZVFDVHTOSTKM-ZRUFSTJUSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H]1C[C@H]([NH2+]CC2(C)CC2)CCN1 666874234 487344107 /nfs/dbraw/zinc/34/41/07/487344107.db2.gz MJRJCPUSTZOYKS-VHSXEESVSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C)CCN1 666873241 487344116 /nfs/dbraw/zinc/34/41/16/487344116.db2.gz KUDFSAQYVNKWPD-UWVGGRQHSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)CCN1 666874235 487344142 /nfs/dbraw/zinc/34/41/42/487344142.db2.gz MJRJCPUSTZOYKS-ZJUUUORDSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)CCN1 666874233 487344163 /nfs/dbraw/zinc/34/41/63/487344163.db2.gz MJRJCPUSTZOYKS-UWVGGRQHSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1C[C@H]([NH2+]CC2(C)CC2)CCN1 666874232 487344190 /nfs/dbraw/zinc/34/41/90/487344190.db2.gz MJRJCPUSTZOYKS-NXEZZACHSA-N 1 3 182.311 1.517 20 0 ADADHO CCCC[C@H](COC)N[C@H](C)C[NH3+] 666868662 487344197 /nfs/dbraw/zinc/34/41/97/487344197.db2.gz LHIWZEONPIPPQU-NXEZZACHSA-N 1 3 188.315 1.128 20 0 ADADHO C[C@H]1C[C@@H]1C[NH2+][C@@H]1CCN[C@H](C)C1 666874252 487344225 /nfs/dbraw/zinc/34/42/25/487344225.db2.gz UCZVFDVHTOSTKM-LNFKQOIKSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C)CCN1 666874242 487344245 /nfs/dbraw/zinc/34/42/45/487344245.db2.gz QSWNUHNQFKVZTH-KKOKHZNYSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1C[C@H]([NH2+][C@H](C)CC2CC2)CCN1 666874207 487344275 /nfs/dbraw/zinc/34/42/75/487344275.db2.gz CVKNMJMSVBVWOA-CKYFFXLPSA-N 1 3 196.338 1.905 20 0 ADADHO CCCC[C@@H](COC)N[C@H](C)C[NH3+] 666868663 487344322 /nfs/dbraw/zinc/34/43/22/487344322.db2.gz LHIWZEONPIPPQU-ZJUUUORDSA-N 1 3 188.315 1.128 20 0 ADADHO CC[C@H](C)C[NH2+][C@@H]1CCN[C@@H](C)C1 666874224 487344343 /nfs/dbraw/zinc/34/43/43/487344343.db2.gz KBPRLRFASYUJBB-GARJFASQSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C)CCN1 666873240 487344409 /nfs/dbraw/zinc/34/44/09/487344409.db2.gz KUDFSAQYVNKWPD-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 666874243 487344417 /nfs/dbraw/zinc/34/44/17/487344417.db2.gz QSWNUHNQFKVZTH-QCNOEVLYSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]2C)CCN1 666874251 487344425 /nfs/dbraw/zinc/34/44/25/487344425.db2.gz UCZVFDVHTOSTKM-GWOFURMSSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C)CCN1 666874240 487344487 /nfs/dbraw/zinc/34/44/87/487344487.db2.gz QSWNUHNQFKVZTH-DDHJBXDOSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1C[C@@H]([NH2+][C@H](C)CC2CC2)CCN1 666874208 487344547 /nfs/dbraw/zinc/34/45/47/487344547.db2.gz CVKNMJMSVBVWOA-FOGDFJRCSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)CCN1 666873243 487344506 /nfs/dbraw/zinc/34/45/06/487344506.db2.gz KUDFSAQYVNKWPD-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H](CC1CC1)[NH2+][C@@H]1CCN[C@H](C)C1 666874209 487344569 /nfs/dbraw/zinc/34/45/69/487344569.db2.gz CVKNMJMSVBVWOA-JFGNBEQYSA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@H](C)C[NH2+][C@@H]1CCN[C@H](C)C1 666874225 487344587 /nfs/dbraw/zinc/34/45/87/487344587.db2.gz KBPRLRFASYUJBB-HBNTYKKESA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](C)C[NH2+][C@H]1CCN[C@H](C)C1 666874222 487344675 /nfs/dbraw/zinc/34/46/75/487344675.db2.gz KBPRLRFASYUJBB-AXFHLTTASA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H](CC1CC1)[NH2+][C@H]1CCN[C@H](C)C1 666874210 487344684 /nfs/dbraw/zinc/34/46/84/487344684.db2.gz CVKNMJMSVBVWOA-SCVCMEIPSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)C2)CCN1 666874271 487344951 /nfs/dbraw/zinc/34/49/51/487344951.db2.gz ZQYZXUAZLALSPY-RHYQMDGZSA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@@H](C)C[NH2+]C1(C)CCNCC1 666882242 487344966 /nfs/dbraw/zinc/34/49/66/487344966.db2.gz KAORCEGYAOFCKD-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H](C)C1 666877373 487345034 /nfs/dbraw/zinc/34/50/34/487345034.db2.gz BFGPUINTHSETKZ-HBNTYKKESA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]1C 666877378 487345051 /nfs/dbraw/zinc/34/50/51/487345051.db2.gz CYOLOJUZGXFDGT-HBNTYKKESA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]1C 666877377 487345088 /nfs/dbraw/zinc/34/50/88/487345088.db2.gz CYOLOJUZGXFDGT-GMTAPVOTSA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H](C)C1CCC1 666878512 487345127 /nfs/dbraw/zinc/34/51/27/487345127.db2.gz BYHFOXDKHOMXNV-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+][C@H](C)CNC[C@@H]1C[C@@H]1C 666878568 487345138 /nfs/dbraw/zinc/34/51/38/487345138.db2.gz MOSJYVAOABNNGR-AEJSXWLSSA-N 1 3 170.300 1.230 20 0 ADADHO CC[NH2+][C@H](C)CNC[C@H]1C[C@H]1C 666878571 487345155 /nfs/dbraw/zinc/34/51/55/487345155.db2.gz MOSJYVAOABNNGR-OPRDCNLKSA-N 1 3 170.300 1.230 20 0 ADADHO CC[NH2+][C@H](C)CNC[C@@H]1C[C@H]1C 666878569 487345172 /nfs/dbraw/zinc/34/51/72/487345172.db2.gz MOSJYVAOABNNGR-BBBLOLIVSA-N 1 3 170.300 1.230 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H](C)C1 666877372 487345193 /nfs/dbraw/zinc/34/51/93/487345193.db2.gz BFGPUINTHSETKZ-GMTAPVOTSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](C)C[NH2+]C1(C)CCNCC1 666882241 487345105 /nfs/dbraw/zinc/34/51/05/487345105.db2.gz KAORCEGYAOFCKD-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H](C)C1CCC1 666878511 487345110 /nfs/dbraw/zinc/34/51/10/487345110.db2.gz BYHFOXDKHOMXNV-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 666874273 487345227 /nfs/dbraw/zinc/34/52/27/487345227.db2.gz ZQYZXUAZLALSPY-WYUUTHIRSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1C[C@H]([NH2+][C@H](C)C2CCC2)CCN1 666874827 487345381 /nfs/dbraw/zinc/34/53/81/487345381.db2.gz LOJFOMIJIHNPTR-CKYFFXLPSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCC1 666874830 487345391 /nfs/dbraw/zinc/34/53/91/487345391.db2.gz LOJFOMIJIHNPTR-SCVCMEIPSA-N 1 3 196.338 1.905 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H]1C 666877376 487345434 /nfs/dbraw/zinc/34/54/34/487345434.db2.gz CYOLOJUZGXFDGT-AXFHLTTASA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H](C)CC1CC1 666877383 487345327 /nfs/dbraw/zinc/34/53/27/487345327.db2.gz FEWSKVIPLZSBDR-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1C[C@@H]([NH2+][C@H](C)C2CCC2)CCN1 666874828 487345467 /nfs/dbraw/zinc/34/54/67/487345467.db2.gz LOJFOMIJIHNPTR-FOGDFJRCSA-N 1 3 196.338 1.905 20 0 ADADHO CC[NH2+][C@H](C)CNC[C@H](C)CC 666878523 487345512 /nfs/dbraw/zinc/34/55/12/487345512.db2.gz GCUKWSMEMOMQSY-NXEZZACHSA-N 1 3 172.316 1.620 20 0 ADADHO CC[NH2+][C@H](C)CNC[C@H]1C[C@@H]1C 666878570 487345572 /nfs/dbraw/zinc/34/55/72/487345572.db2.gz MOSJYVAOABNNGR-IVZWLZJFSA-N 1 3 170.300 1.230 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@H]1C 666877379 487345596 /nfs/dbraw/zinc/34/55/96/487345596.db2.gz CYOLOJUZGXFDGT-MXWKQRLJSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 666874272 487345649 /nfs/dbraw/zinc/34/56/49/487345649.db2.gz ZQYZXUAZLALSPY-WISYIIOYSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCC1 666874829 487345654 /nfs/dbraw/zinc/34/56/54/487345654.db2.gz LOJFOMIJIHNPTR-JFGNBEQYSA-N 1 3 196.338 1.905 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H](C)CC1CC1 666877382 487345690 /nfs/dbraw/zinc/34/56/90/487345690.db2.gz FEWSKVIPLZSBDR-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+][C@H](C)CNCC(C)(C)C 666877257 487345701 /nfs/dbraw/zinc/34/57/01/487345701.db2.gz WKKBRMFGACNWGE-SECBINFHSA-N 1 3 172.316 1.620 20 0 ADADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)C2)CCN1 666874270 487345708 /nfs/dbraw/zinc/34/57/08/487345708.db2.gz ZQYZXUAZLALSPY-NOOOWODRSA-N 1 3 196.338 1.905 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H]1CC[C@H](C)C1 666877371 487345726 /nfs/dbraw/zinc/34/57/26/487345726.db2.gz BFGPUINTHSETKZ-AXFHLTTASA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+][C@H](C)CNC[C@@H](C)CC 666878524 487345736 /nfs/dbraw/zinc/34/57/36/487345736.db2.gz GCUKWSMEMOMQSY-VHSXEESVSA-N 1 3 172.316 1.620 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H]1CC[C@@H](C)C1 666877374 487345782 /nfs/dbraw/zinc/34/57/82/487345782.db2.gz BFGPUINTHSETKZ-MXWKQRLJSA-N 1 3 184.327 1.763 20 0 ADADHO Cc1cc(N)cc(CNCCC[NH3+])c1 666906471 487348107 /nfs/dbraw/zinc/34/81/07/487348107.db2.gz GJAZHALZFQFOFO-UHFFFAOYSA-N 1 3 193.294 1.016 20 0 ADADHO CC[C@H](N)C[NH2+]Cc1cccc(C)c1 666909297 487348201 /nfs/dbraw/zinc/34/82/01/487348201.db2.gz ZVRGZOIRPOTLBL-LBPRGKRZSA-N 1 3 192.306 1.822 20 0 ADADHO CC[C@@H](N)C[NH2+]Cc1cccc(C)c1 666909296 487348268 /nfs/dbraw/zinc/34/82/68/487348268.db2.gz ZVRGZOIRPOTLBL-GFCCVEGCSA-N 1 3 192.306 1.822 20 0 ADADHO CC[C@@H](N)C[NH2+]Cc1ccccc1C 666909264 487348306 /nfs/dbraw/zinc/34/83/06/487348306.db2.gz HSYGLYZVBMQUAQ-GFCCVEGCSA-N 1 3 192.306 1.822 20 0 ADADHO CC[C@H](N)C[NH2+]Cc1ccccc1C 666909265 487348605 /nfs/dbraw/zinc/34/86/05/487348605.db2.gz HSYGLYZVBMQUAQ-LBPRGKRZSA-N 1 3 192.306 1.822 20 0 ADADHO C[C@H](CCC1CC1)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940419 487349652 /nfs/dbraw/zinc/34/96/52/487349652.db2.gz FYEFXEWOWSMYQF-YJQGPUDQSA-N 1 3 194.322 1.373 20 0 ADADHO CCCC[C@H](CC)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940432 487349672 /nfs/dbraw/zinc/34/96/72/487349672.db2.gz MCOVOWGUOUEQIR-NNYUYHANSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CCCC[C@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939723 487349680 /nfs/dbraw/zinc/34/96/80/487349680.db2.gz DEFVFCXBVFOPHV-PREPNJAASA-N 1 3 194.322 1.373 20 0 ADADHO CC(C)C[C@H](C)CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666941204 487349692 /nfs/dbraw/zinc/34/96/92/487349692.db2.gz GFANXHVNYBRSEE-NNYUYHANSA-N 1 3 196.338 1.476 20 0 ADADHO C[C@H]1CCC[C@@H](N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666939741 487349708 /nfs/dbraw/zinc/34/97/08/487349708.db2.gz IOEHMPAOZXBIBA-RNWYCLNJSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@@H](CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C 666941241 487349739 /nfs/dbraw/zinc/34/97/39/487349739.db2.gz SBTCSYIRHCWQPU-UKKRHICBSA-N 1 3 196.338 1.476 20 0 ADADHO C[C@@H]1CCC[C@@H](N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666939738 487349767 /nfs/dbraw/zinc/34/97/67/487349767.db2.gz IOEHMPAOZXBIBA-JCIQBVFBSA-N 1 3 194.322 1.373 20 0 ADADHO CC1(C)CC[C@@H](N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666940480 487349777 /nfs/dbraw/zinc/34/97/77/487349777.db2.gz ZXGFCOBMYNHMGS-ZNSHCXBVSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@@H]1CCCC[C@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939724 487349794 /nfs/dbraw/zinc/34/97/94/487349794.db2.gz DEFVFCXBVFOPHV-ZIQFBCGOSA-N 1 3 194.322 1.373 20 0 ADADHO CCCC[C@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940457 487349837 /nfs/dbraw/zinc/34/98/37/487349837.db2.gz UWTJLURAGQIBPV-UKKRHICBSA-N 1 3 182.311 1.373 20 0 ADADHO CCCC[C@@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940458 487349846 /nfs/dbraw/zinc/34/98/46/487349846.db2.gz UWTJLURAGQIBPV-ZNSHCXBVSA-N 1 3 182.311 1.373 20 0 ADADHO CCC[C@@H](CC)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940456 487349887 /nfs/dbraw/zinc/34/98/87/487349887.db2.gz UWMMJIMAEAMCLL-ZNSHCXBVSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H]1CCCC[C@@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939722 487349722 /nfs/dbraw/zinc/34/97/22/487349722.db2.gz DEFVFCXBVFOPHV-HHHUOAJASA-N 1 3 194.322 1.373 20 0 ADADHO CC1(C)CCC[C@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940434 487349950 /nfs/dbraw/zinc/34/99/50/487349950.db2.gz OAMRVZIXZQFSAP-YTWAJWBKSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@H](CC1CCC1)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940439 487349922 /nfs/dbraw/zinc/34/99/22/487349922.db2.gz PDFAKMWLLOEIHD-YJQGPUDQSA-N 1 3 194.322 1.373 20 0 ADADHO CC1(C)CCC[C@@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940435 487349957 /nfs/dbraw/zinc/34/99/57/487349957.db2.gz OAMRVZIXZQFSAP-ZRUFSTJUSA-N 1 3 194.322 1.373 20 0 ADADHO CCC[C@H](CC)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940455 487349962 /nfs/dbraw/zinc/34/99/62/487349962.db2.gz UWMMJIMAEAMCLL-UKKRHICBSA-N 1 3 182.311 1.373 20 0 ADADHO CCC[C@H](C)CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939717 487349969 /nfs/dbraw/zinc/34/99/69/487349969.db2.gz CMJWBWSJADTNRI-UKKRHICBSA-N 1 3 182.311 1.230 20 0 ADADHO CCCC[C@@H](CC)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940433 487349991 /nfs/dbraw/zinc/34/99/91/487349991.db2.gz MCOVOWGUOUEQIR-WYUUTHIRSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CCCC[C@@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939721 487349998 /nfs/dbraw/zinc/34/99/98/487349998.db2.gz DEFVFCXBVFOPHV-GCHJQGSQSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@H]1CCC[C@H](N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666939739 487350006 /nfs/dbraw/zinc/35/00/06/487350006.db2.gz IOEHMPAOZXBIBA-KKJSVHSVSA-N 1 3 194.322 1.373 20 0 ADADHO CCCC(CCC)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939766 487350011 /nfs/dbraw/zinc/35/00/11/487350011.db2.gz LKKGJZFCMTUOAE-GDNZZTSVSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)CC[C@@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940452 487350040 /nfs/dbraw/zinc/35/00/40/487350040.db2.gz UCTACKMITQURGS-WYUUTHIRSA-N 1 3 196.338 1.619 20 0 ADADHO C[C@H](CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C 666941242 487350053 /nfs/dbraw/zinc/35/00/53/487350053.db2.gz SBTCSYIRHCWQPU-ZNSHCXBVSA-N 1 3 196.338 1.476 20 0 ADADHO CC(C)C[C@@H](C)CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666941205 487350081 /nfs/dbraw/zinc/35/00/81/487350081.db2.gz GFANXHVNYBRSEE-WYUUTHIRSA-N 1 3 196.338 1.476 20 0 ADADHO CCC[C@@H](C)CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939720 487350104 /nfs/dbraw/zinc/35/01/04/487350104.db2.gz CMJWBWSJADTNRI-ZNSHCXBVSA-N 1 3 182.311 1.230 20 0 ADADHO CCC(CC)CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939744 487350138 /nfs/dbraw/zinc/35/01/38/487350138.db2.gz IYVUVUWDEOXGIR-URLYPYJESA-N 1 3 182.311 1.230 20 0 ADADHO C[C@@H](CCC1CC1)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940418 487350155 /nfs/dbraw/zinc/35/01/55/487350155.db2.gz FYEFXEWOWSMYQF-OHBODLIOSA-N 1 3 194.322 1.373 20 0 ADADHO CC1(C)CC[C@H](N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666940479 487350175 /nfs/dbraw/zinc/35/01/75/487350175.db2.gz ZXGFCOBMYNHMGS-UKKRHICBSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@@H]1CCC[C@H](N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666939740 487350188 /nfs/dbraw/zinc/35/01/88/487350188.db2.gz IOEHMPAOZXBIBA-LVEVGFFFSA-N 1 3 194.322 1.373 20 0 ADADHO CC(C)CC[C@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940451 487350219 /nfs/dbraw/zinc/35/02/19/487350219.db2.gz UCTACKMITQURGS-NNYUYHANSA-N 1 3 196.338 1.619 20 0 ADADHO C[C@@H](CC1CCC1)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940438 487350266 /nfs/dbraw/zinc/35/02/66/487350266.db2.gz PDFAKMWLLOEIHD-OHBODLIOSA-N 1 3 194.322 1.373 20 0 ADADHO CC(C)CCCN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940424 487350292 /nfs/dbraw/zinc/35/02/92/487350292.db2.gz HOPKWIBXABZJDY-URLYPYJESA-N 1 3 182.311 1.230 20 0 ADADHO CC(C)(C)CCN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940462 487350300 /nfs/dbraw/zinc/35/03/00/487350300.db2.gz VORKTMWBKYQZAO-MYJAWHEDSA-N 1 3 182.311 1.230 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNC1(C)C 666966519 487351949 /nfs/dbraw/zinc/35/19/49/487351949.db2.gz YYRKDACUKVENSX-OPRDCNLKSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNC1(C)C 666966518 487352045 /nfs/dbraw/zinc/35/20/45/487352045.db2.gz YYRKDACUKVENSX-KXUCPTDWSA-N 1 3 182.311 1.373 20 0 ADADHO CC[C@H](C)C[NH2+][C@@H]1CCNC1(C)C 666966113 487352133 /nfs/dbraw/zinc/35/21/33/487352133.db2.gz QSZFAFFZLWLFPH-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNC1(C)C 666966516 487352354 /nfs/dbraw/zinc/35/23/54/487352354.db2.gz YYRKDACUKVENSX-BBBLOLIVSA-N 1 3 182.311 1.373 20 0 ADADHO CC[C@@H](C)C[NH2+][C@@H]1CCNC1(C)C 666966111 487352409 /nfs/dbraw/zinc/35/24/09/487352409.db2.gz QSZFAFFZLWLFPH-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@@H](C)C[NH2+][C@H]1CCNC1(C)C 666966114 487352420 /nfs/dbraw/zinc/35/24/20/487352420.db2.gz QSZFAFFZLWLFPH-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCNC1(C)C 666966520 487352516 /nfs/dbraw/zinc/35/25/16/487352516.db2.gz YYRKDACUKVENSX-UTLUCORTSA-N 1 3 182.311 1.373 20 0 ADADHO CC[C@H](C)C[NH2+][C@H]1CCNC1(C)C 666966112 487352764 /nfs/dbraw/zinc/35/27/64/487352764.db2.gz QSZFAFFZLWLFPH-UWVGGRQHSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 667040092 487353095 /nfs/dbraw/zinc/35/30/95/487353095.db2.gz IAIWLFIVPOLYMZ-RHYQMDGZSA-N 1 3 196.338 1.559 20 0 ADADHO C[C@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 667040092 487353096 /nfs/dbraw/zinc/35/30/96/487353096.db2.gz IAIWLFIVPOLYMZ-RHYQMDGZSA-N 1 3 196.338 1.559 20 0 ADADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C[C@@H]1CN 667040094 487353112 /nfs/dbraw/zinc/35/31/12/487353112.db2.gz IAIWLFIVPOLYMZ-WYUUTHIRSA-N 1 3 196.338 1.559 20 0 ADADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C[C@@H]1CN 667040094 487353114 /nfs/dbraw/zinc/35/31/14/487353114.db2.gz IAIWLFIVPOLYMZ-WYUUTHIRSA-N 1 3 196.338 1.559 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCNC2(CCC2)C1 666997051 487353133 /nfs/dbraw/zinc/35/31/33/487353133.db2.gz UMMWRLGWTILZMM-LLVKDONJSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CC[N@H+](CC2(C)CC2)C[C@H]1CN 667040064 487353205 /nfs/dbraw/zinc/35/32/05/487353205.db2.gz ZGFVAZAWQCUVCG-GHMZBOCLSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@@H]1CC[N@@H+](CC2(C)CC2)C[C@H]1CN 667040064 487353207 /nfs/dbraw/zinc/35/32/07/487353207.db2.gz ZGFVAZAWQCUVCG-GHMZBOCLSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@@H]1CCN(CC2(C)CC2)C[C@H]1C[NH3+] 667040064 487353210 /nfs/dbraw/zinc/35/32/10/487353210.db2.gz ZGFVAZAWQCUVCG-GHMZBOCLSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@@H]1CC[N@H+](CC2(C)CC2)C[C@@H]1CN 667040065 487353243 /nfs/dbraw/zinc/35/32/43/487353243.db2.gz ZGFVAZAWQCUVCG-MNOVXSKESA-N 1 3 196.338 1.703 20 0 ADADHO C[C@@H]1CC[N@@H+](CC2(C)CC2)C[C@@H]1CN 667040065 487353245 /nfs/dbraw/zinc/35/32/45/487353245.db2.gz ZGFVAZAWQCUVCG-MNOVXSKESA-N 1 3 196.338 1.703 20 0 ADADHO C[C@@H]1CCN(CC2(C)CC2)C[C@@H]1C[NH3+] 667040065 487353250 /nfs/dbraw/zinc/35/32/50/487353250.db2.gz ZGFVAZAWQCUVCG-MNOVXSKESA-N 1 3 196.338 1.703 20 0 ADADHO C[C@H]1CC[N@H+](CC2(C)CC2)C[C@H]1CN 667040067 487353285 /nfs/dbraw/zinc/35/32/85/487353285.db2.gz ZGFVAZAWQCUVCG-WDEREUQCSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@H]1CC[N@@H+](CC2(C)CC2)C[C@H]1CN 667040067 487353289 /nfs/dbraw/zinc/35/32/89/487353289.db2.gz ZGFVAZAWQCUVCG-WDEREUQCSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@H]1CCN(CC2(C)CC2)C[C@H]1C[NH3+] 667040067 487353293 /nfs/dbraw/zinc/35/32/93/487353293.db2.gz ZGFVAZAWQCUVCG-WDEREUQCSA-N 1 3 196.338 1.703 20 0 ADADHO C1CC2(C1)C[C@@H]([NH2+]CC1CC1)CCN2 666998275 487353387 /nfs/dbraw/zinc/35/33/87/487353387.db2.gz KTGMWIRSBQJZFX-NSHDSACASA-N 1 3 194.322 1.661 20 0 ADADHO C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 667040091 487353433 /nfs/dbraw/zinc/35/34/33/487353433.db2.gz IAIWLFIVPOLYMZ-NOOOWODRSA-N 1 3 196.338 1.559 20 0 ADADHO C[C@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@H](CN)C1 667040091 487353435 /nfs/dbraw/zinc/35/34/35/487353435.db2.gz IAIWLFIVPOLYMZ-NOOOWODRSA-N 1 3 196.338 1.559 20 0 ADADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C[C@H]1CN 667040093 487353459 /nfs/dbraw/zinc/35/34/59/487353459.db2.gz IAIWLFIVPOLYMZ-WISYIIOYSA-N 1 3 196.338 1.559 20 0 ADADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C[C@H]1CN 667040093 487353462 /nfs/dbraw/zinc/35/34/62/487353462.db2.gz IAIWLFIVPOLYMZ-WISYIIOYSA-N 1 3 196.338 1.559 20 0 ADADHO C1CC2(C1)C[C@H]([NH2+]CC1CC1)CCN2 666998274 487353488 /nfs/dbraw/zinc/35/34/88/487353488.db2.gz KTGMWIRSBQJZFX-LLVKDONJSA-N 1 3 194.322 1.661 20 0 ADADHO CC(C)C[NH2+][C@H]1CCNC2(CCC2)C1 666997052 487353545 /nfs/dbraw/zinc/35/35/45/487353545.db2.gz UMMWRLGWTILZMM-NSHDSACASA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CC[N@H+](CC2(C)CC2)C[C@@H]1CN 667040066 487353562 /nfs/dbraw/zinc/35/35/62/487353562.db2.gz ZGFVAZAWQCUVCG-QWRGUYRKSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@H]1CC[N@@H+](CC2(C)CC2)C[C@@H]1CN 667040066 487353565 /nfs/dbraw/zinc/35/35/65/487353565.db2.gz ZGFVAZAWQCUVCG-QWRGUYRKSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@H]1CCN(CC2(C)CC2)C[C@@H]1C[NH3+] 667040066 487353566 /nfs/dbraw/zinc/35/35/66/487353566.db2.gz ZGFVAZAWQCUVCG-QWRGUYRKSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@H]1C[C@@H]1CN[C@@H]1CCC[NH2+][C@@H]1C 667066788 487354059 /nfs/dbraw/zinc/35/40/59/487354059.db2.gz MSQIVGFWYUWTKW-LNFKQOIKSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]1C[C@H]1CN[C@@H]1CCC[NH2+][C@@H]1C 667066787 487354068 /nfs/dbraw/zinc/35/40/68/487354068.db2.gz MSQIVGFWYUWTKW-CHWFTXMASA-N 1 3 182.311 1.373 20 0 ADADHO C1C[C@H]2C[C@H]2[C@@H]([NH2+]C2CCNCC2)C1 667048439 487354166 /nfs/dbraw/zinc/35/41/66/487354166.db2.gz XZPVCRHBZZWSEL-WCQGTBRESA-N 1 3 194.322 1.517 20 0 ADADHO C1C[C@H]2C[C@H]2[C@@H]([NH2+][C@@H]2CCNC2)C1 667048419 487354219 /nfs/dbraw/zinc/35/42/19/487354219.db2.gz PTNQVYOCOBEPDD-ZDCRXTMVSA-N 1 3 180.295 1.127 20 0 ADADHO C1C[C@H]2C[C@H]2[C@@H]([NH2+][C@H]2CCNC2)C1 667048417 487354274 /nfs/dbraw/zinc/35/42/74/487354274.db2.gz PTNQVYOCOBEPDD-MMWGEVLESA-N 1 3 180.295 1.127 20 0 ADADHO NCCC[N@@H+]1CC[C@H](C2CCC2)C1 667060700 487354325 /nfs/dbraw/zinc/35/43/25/487354325.db2.gz DITVWNJURUDFTL-NSHDSACASA-N 1 3 182.311 1.457 20 0 ADADHO NCCC[N@H+]1CC[C@H](C2CCC2)C1 667060700 487354327 /nfs/dbraw/zinc/35/43/27/487354327.db2.gz DITVWNJURUDFTL-NSHDSACASA-N 1 3 182.311 1.457 20 0 ADADHO C1C[C@H]2C[C@H]2[C@H]([NH2+][C@@H]2CCNC2)C1 667048416 487354143 /nfs/dbraw/zinc/35/41/43/487354143.db2.gz PTNQVYOCOBEPDD-LNFKQOIKSA-N 1 3 180.295 1.127 20 0 ADADHO NCCC[N@@H+]1CC[C@@H](C2CCC2)C1 667060699 487354383 /nfs/dbraw/zinc/35/43/83/487354383.db2.gz DITVWNJURUDFTL-LLVKDONJSA-N 1 3 182.311 1.457 20 0 ADADHO NCCC[N@H+]1CC[C@@H](C2CCC2)C1 667060699 487354384 /nfs/dbraw/zinc/35/43/84/487354384.db2.gz DITVWNJURUDFTL-LLVKDONJSA-N 1 3 182.311 1.457 20 0 ADADHO C[C@H]1C[C@H]1CN[C@@H]1CCC[NH2+][C@@H]1C 667066789 487354400 /nfs/dbraw/zinc/35/44/00/487354400.db2.gz MSQIVGFWYUWTKW-ZRUFSTJUSA-N 1 3 182.311 1.373 20 0 ADADHO C1C[C@H]2C[C@H]2[C@H]([NH2+][C@H]2CCNC2)C1 667048418 487354477 /nfs/dbraw/zinc/35/44/77/487354477.db2.gz PTNQVYOCOBEPDD-UKKRHICBSA-N 1 3 180.295 1.127 20 0 ADADHO C1C[C@H]2C[C@H]2[C@H]([NH2+]C2CCNCC2)C1 667048438 487354488 /nfs/dbraw/zinc/35/44/88/487354488.db2.gz XZPVCRHBZZWSEL-MVWJERBFSA-N 1 3 194.322 1.517 20 0 ADADHO C[C@@H]1CCC[N@@H+]1CC1CCN(C)CC1 892020619 582480297 /nfs/dbraw/zinc/48/02/97/582480297.db2.gz ZRRPXRPWZDWZSQ-LLVKDONJSA-N 1 3 196.338 1.813 20 0 ADADHO C[C@@H]1CCC[N@H+]1CC1CCN(C)CC1 892020619 582480302 /nfs/dbraw/zinc/48/03/02/582480302.db2.gz ZRRPXRPWZDWZSQ-LLVKDONJSA-N 1 3 196.338 1.813 20 0 ADADHO C[C@H]1CCC[N@@H+]1CC1CCN(C)CC1 892020620 582480328 /nfs/dbraw/zinc/48/03/28/582480328.db2.gz ZRRPXRPWZDWZSQ-NSHDSACASA-N 1 3 196.338 1.813 20 0 ADADHO C[C@H]1CCC[N@H+]1CC1CCN(C)CC1 892020620 582480331 /nfs/dbraw/zinc/48/03/31/582480331.db2.gz ZRRPXRPWZDWZSQ-NSHDSACASA-N 1 3 196.338 1.813 20 0 ADADHO CC[C@H](C)[NH2+]CC1=CCN(C)CC1 393712408 582494367 /nfs/dbraw/zinc/49/43/67/582494367.db2.gz UTTCZMKMBHGTRJ-JTQLQIEISA-N 1 3 182.311 1.636 20 0 ADADHO CNCCC[N@@H+]1CCC[C@H]1C 42409129 582501975 /nfs/dbraw/zinc/50/19/75/582501975.db2.gz XZENLSOBCOTUCW-SECBINFHSA-N 1 3 156.273 1.080 20 0 ADADHO CNCCC[N@H+]1CCC[C@H]1C 42409129 582501977 /nfs/dbraw/zinc/50/19/77/582501977.db2.gz XZENLSOBCOTUCW-SECBINFHSA-N 1 3 156.273 1.080 20 0 ADADHO C[NH2+]CCCN1CCC[C@H]1C 42409129 582501978 /nfs/dbraw/zinc/50/19/78/582501978.db2.gz XZENLSOBCOTUCW-SECBINFHSA-N 1 3 156.273 1.080 20 0 ADADHO CC[C@@H]1CCC[N@@H+]1CCCNC 42409121 582501677 /nfs/dbraw/zinc/50/16/77/582501677.db2.gz RMEHIACRFFUMGF-SNVBAGLBSA-N 1 3 170.300 1.470 20 0 ADADHO CC[C@@H]1CCC[N@H+]1CCCNC 42409121 582501678 /nfs/dbraw/zinc/50/16/78/582501678.db2.gz RMEHIACRFFUMGF-SNVBAGLBSA-N 1 3 170.300 1.470 20 0 ADADHO CC[C@H]1CCC[N@@H+]1CCCNC 42409122 582502010 /nfs/dbraw/zinc/50/20/10/582502010.db2.gz RMEHIACRFFUMGF-JTQLQIEISA-N 1 3 170.300 1.470 20 0 ADADHO CC[C@H]1CCC[N@H+]1CCCNC 42409122 582502012 /nfs/dbraw/zinc/50/20/12/582502012.db2.gz RMEHIACRFFUMGF-JTQLQIEISA-N 1 3 170.300 1.470 20 0 ADADHO CCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 228987021 582514333 /nfs/dbraw/zinc/51/43/33/582514333.db2.gz WHBLCWGRSDQDBK-QWRGUYRKSA-N 1 3 184.327 1.703 20 0 ADADHO CCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 228987021 582514334 /nfs/dbraw/zinc/51/43/34/582514334.db2.gz WHBLCWGRSDQDBK-QWRGUYRKSA-N 1 3 184.327 1.703 20 0 ADADHO C1CC[C@@H](CN2CCCC2)C[NH2+]C1 211404853 582514350 /nfs/dbraw/zinc/51/43/50/582514350.db2.gz UEHANQZJDMACQE-LLVKDONJSA-N 1 3 182.311 1.472 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CC[C@@H](C)C1 228980887 582514358 /nfs/dbraw/zinc/51/43/58/582514358.db2.gz MUKOPDYFZSTODM-BBBLOLIVSA-N 1 3 170.300 1.359 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 228986133 582514376 /nfs/dbraw/zinc/51/43/76/582514376.db2.gz LJDQWZMIEKBGJN-TUAOUCFPSA-N 1 3 198.354 1.949 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 228986133 582514377 /nfs/dbraw/zinc/51/43/77/582514377.db2.gz LJDQWZMIEKBGJN-TUAOUCFPSA-N 1 3 198.354 1.949 20 0 ADADHO C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 211402291 582514437 /nfs/dbraw/zinc/51/44/37/582514437.db2.gz RXMLBGPVGPKMKE-GFCCVEGCSA-N 1 3 196.338 1.862 20 0 ADADHO C1CC[C@H](CN2CCCC2)C[NH2+]C1 211404938 582514450 /nfs/dbraw/zinc/51/44/50/582514450.db2.gz UEHANQZJDMACQE-NSHDSACASA-N 1 3 182.311 1.472 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H](C)C1 228980866 582514594 /nfs/dbraw/zinc/51/45/94/582514594.db2.gz MUKOPDYFZSTODM-OPRDCNLKSA-N 1 3 170.300 1.359 20 0 ADADHO C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 211402362 582514640 /nfs/dbraw/zinc/51/46/40/582514640.db2.gz RXMLBGPVGPKMKE-LBPRGKRZSA-N 1 3 196.338 1.862 20 0 ADADHO CC[N@@H+]1CCCC12CCNCC2 211347137 582514983 /nfs/dbraw/zinc/51/49/83/582514983.db2.gz VFWYAALEPCKMQT-UHFFFAOYSA-N 1 3 168.284 1.224 20 0 ADADHO CC[N@H+]1CCCC12CCNCC2 211347137 582514985 /nfs/dbraw/zinc/51/49/85/582514985.db2.gz VFWYAALEPCKMQT-UHFFFAOYSA-N 1 3 168.284 1.224 20 0 ADADHO CC(C)C[N@@H+]1CCC[C@@]12CCCNC2 211348371 582515076 /nfs/dbraw/zinc/51/50/76/582515076.db2.gz BSJQWTDGCNMZFF-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO CC(C)C[N@H+]1CCC[C@@]12CCCNC2 211348371 582515078 /nfs/dbraw/zinc/51/50/78/582515078.db2.gz BSJQWTDGCNMZFF-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO CC(C)CN1CCC[C@@]12CCC[NH2+]C2 211348371 582515081 /nfs/dbraw/zinc/51/50/81/582515081.db2.gz BSJQWTDGCNMZFF-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO CC(C)C[N@@H+]1CCC[C@]12CCCNC2 211348442 582515162 /nfs/dbraw/zinc/51/51/62/582515162.db2.gz BSJQWTDGCNMZFF-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO CC(C)C[N@H+]1CCC[C@]12CCCNC2 211348442 582515163 /nfs/dbraw/zinc/51/51/63/582515163.db2.gz BSJQWTDGCNMZFF-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO CC(C)CN1CCC[C@]12CCC[NH2+]C2 211348442 582515164 /nfs/dbraw/zinc/51/51/64/582515164.db2.gz BSJQWTDGCNMZFF-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO CN1CCC(C[NH+]2CC3(CC3)C2)CC1 894664695 582516873 /nfs/dbraw/zinc/51/68/73/582516873.db2.gz YBDITHGMPXJMRO-UHFFFAOYSA-N 1 3 194.322 1.424 20 0 ADADHO CCC1C[NH+](CC2CCN(C)CC2)C1 894813939 582518400 /nfs/dbraw/zinc/51/84/00/582518400.db2.gz WMICBCXUBFSPSF-UHFFFAOYSA-N 1 3 196.338 1.670 20 0 ADADHO CN1CCC(C[N@H+]2C[C@H]3C[C@H]3C2)CC1 895559303 582529099 /nfs/dbraw/zinc/52/90/99/582529099.db2.gz OMQSFWYMQXCLOX-TXEJJXNPSA-N 1 3 194.322 1.280 20 0 ADADHO CN1CCC(C[N@@H+]2C[C@H]3C[C@H]3C2)CC1 895559303 582529100 /nfs/dbraw/zinc/52/91/00/582529100.db2.gz OMQSFWYMQXCLOX-TXEJJXNPSA-N 1 3 194.322 1.280 20 0 ADADHO CN1CCC(C[NH+]2CC(C)(C)C2)CC1 895826513 582531276 /nfs/dbraw/zinc/53/12/76/582531276.db2.gz XPILYHQFTYHMBA-UHFFFAOYSA-N 1 3 196.338 1.670 20 0 ADADHO C[C@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1CCCNC1 238480809 582551785 /nfs/dbraw/zinc/55/17/85/582551785.db2.gz MGTLIXFJRUPRPM-GRYCIOLGSA-N 1 3 196.338 1.859 20 0 ADADHO C[C@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CCCNC1 238480809 582551786 /nfs/dbraw/zinc/55/17/86/582551786.db2.gz MGTLIXFJRUPRPM-GRYCIOLGSA-N 1 3 196.338 1.859 20 0 ADADHO NCc1cc(C2=CC[NH2+]CC2)cs1 899321829 582560856 /nfs/dbraw/zinc/56/08/56/582560856.db2.gz ADMUEFBBDVLTEX-UHFFFAOYSA-N 1 3 194.303 1.584 20 0 ADADHO C[C@@H]([NH2+]CC1(N)CC1)c1ccsc1 902416395 582603367 /nfs/dbraw/zinc/60/33/67/582603367.db2.gz NOMAAICICGOFOZ-MRVPVSSYSA-N 1 3 196.319 1.890 20 0 ADADHO C[C@H]([NH2+]CC1(N)CC1)c1ccsc1 902416397 582603757 /nfs/dbraw/zinc/60/37/57/582603757.db2.gz NOMAAICICGOFOZ-QMMMGPOBSA-N 1 3 196.319 1.890 20 0 ADADHO C[C@H]([NH2+]CC1(N)CC1)c1ccncc1 902414051 582605176 /nfs/dbraw/zinc/60/51/76/582605176.db2.gz RCPXNEOMANYIAJ-VIFPVBQESA-N 1 3 191.278 1.224 20 0 ADADHO C[C@@H]([NH2+]CC1(N)CC1)c1ccncc1 902414050 582605182 /nfs/dbraw/zinc/60/51/82/582605182.db2.gz RCPXNEOMANYIAJ-SECBINFHSA-N 1 3 191.278 1.224 20 0 ADADHO [NH3+]C[C@@H]1CCC[C@@H]1NC/C=C\Cl 902517546 582608824 /nfs/dbraw/zinc/60/88/24/582608824.db2.gz JHWMDZPQURQPFH-MGQLQWOVSA-N 1 3 188.702 1.456 20 0 ADADHO [NH3+]C[C@@H]1CCC[C@@H]1NC/C=C/Cl 902517545 582608942 /nfs/dbraw/zinc/60/89/42/582608942.db2.gz JHWMDZPQURQPFH-GBJHPGTDSA-N 1 3 188.702 1.456 20 0 ADADHO [NH3+][C@@H]1CCC[C@@H](NC/C=C\Cl)C1 902517087 582609077 /nfs/dbraw/zinc/60/90/77/582609077.db2.gz GYLCBEXSNWKMAW-GSPJQOMYSA-N 1 3 188.702 1.598 20 0 ADADHO [NH3+]C[C@@H]1CCC[C@H]1NC/C=C\Cl 902517547 582609087 /nfs/dbraw/zinc/60/90/87/582609087.db2.gz JHWMDZPQURQPFH-UESWHYPVSA-N 1 3 188.702 1.456 20 0 ADADHO [NH3+][C@@H]1CCC[C@H](NC/C=C\Cl)C1 902517088 582609196 /nfs/dbraw/zinc/60/91/96/582609196.db2.gz GYLCBEXSNWKMAW-LCEQUYJCSA-N 1 3 188.702 1.598 20 0 ADADHO [NH3+][C@@H]1CCC[C@@H](NC/C=C/Cl)C1 902517089 582609208 /nfs/dbraw/zinc/60/92/08/582609208.db2.gz GYLCBEXSNWKMAW-YQRQKROXSA-N 1 3 188.702 1.598 20 0 ADADHO [NH3+][C@@H]1CCC[C@H](NC/C=C/Cl)C1 902517086 582609241 /nfs/dbraw/zinc/60/92/41/582609241.db2.gz GYLCBEXSNWKMAW-COKDONQUSA-N 1 3 188.702 1.598 20 0 ADADHO [NH3+]C[C@@H]1CCC[C@H]1NC/C=C/Cl 902517543 582609641 /nfs/dbraw/zinc/60/96/41/582609641.db2.gz JHWMDZPQURQPFH-DMJFMDCBSA-N 1 3 188.702 1.456 20 0 ADADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC2CC1(C)C2 903464531 582624436 /nfs/dbraw/zinc/62/44/36/582624436.db2.gz QYCRFVMULHJJKC-ZYGVAYEYSA-N 1 3 194.322 1.326 20 0 ADADHO CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN1 903458973 582624698 /nfs/dbraw/zinc/62/46/98/582624698.db2.gz OQMCYZPIOJPNEF-GMTAPVOTSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H]1CCC[C@H]1NC[C@H]1CCC[NH2+]1 903458864 582624769 /nfs/dbraw/zinc/62/47/69/582624769.db2.gz LWIQNPGBXMECIF-QJPTWQEYSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1 903458864 582624770 /nfs/dbraw/zinc/62/47/70/582624770.db2.gz LWIQNPGBXMECIF-QJPTWQEYSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCCN1 903458974 582624871 /nfs/dbraw/zinc/62/48/71/582624871.db2.gz OQMCYZPIOJPNEF-OUAUKWLOSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1 903458865 582624945 /nfs/dbraw/zinc/62/49/45/582624945.db2.gz LWIQNPGBXMECIF-TUAOUCFPSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)C[NH2+][C@@H]1CNCC1(C)C 903824601 582627000 /nfs/dbraw/zinc/62/70/00/582627000.db2.gz RRDGDVBTUFCJIW-SECBINFHSA-N 1 3 170.300 1.230 20 0 ADADHO CNC[C@@H]1CCC[N@@H+]1CC1CC(C)C1 903717605 582627043 /nfs/dbraw/zinc/62/70/43/582627043.db2.gz SVXFVKRMOFURRG-MCIGGMRASA-N 1 3 196.338 1.716 20 0 ADADHO CNC[C@@H]1CCC[N@H+]1CC1CC(C)C1 903717605 582627045 /nfs/dbraw/zinc/62/70/45/582627045.db2.gz SVXFVKRMOFURRG-MCIGGMRASA-N 1 3 196.338 1.716 20 0 ADADHO C[C@]12CN(CC[NH3+])C[C@H]1[C@H]1C=C[C@@H]2C1 903826533 582627130 /nfs/dbraw/zinc/62/71/30/582627130.db2.gz LJDGAVNYUMHJNH-WHOHXGKFSA-N 1 3 192.306 1.089 20 0 ADADHO C[C@]12CN(CC[NH3+])C[C@H]1[C@H]1CC[C@@H]2C1 903826352 582627344 /nfs/dbraw/zinc/62/73/44/582627344.db2.gz JCGFRDQJUPUYIM-WHOHXGKFSA-N 1 3 194.322 1.313 20 0 ADADHO CC1CC(CN2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 903746659 582627515 /nfs/dbraw/zinc/62/75/15/582627515.db2.gz JUWHIYLVLGITDV-CAODYFQJSA-N 1 3 194.322 1.184 20 0 ADADHO CNC[C@H]1CCC[N@@H+]1CC1CC(C)C1 903717604 582627684 /nfs/dbraw/zinc/62/76/84/582627684.db2.gz SVXFVKRMOFURRG-HTAVTVPLSA-N 1 3 196.338 1.716 20 0 ADADHO CNC[C@H]1CCC[N@H+]1CC1CC(C)C1 903717604 582627685 /nfs/dbraw/zinc/62/76/85/582627685.db2.gz SVXFVKRMOFURRG-HTAVTVPLSA-N 1 3 196.338 1.716 20 0 ADADHO CC(C)C[NH2+][C@H]1CNCC1(C)C 903824602 582627698 /nfs/dbraw/zinc/62/76/98/582627698.db2.gz RRDGDVBTUFCJIW-VIFPVBQESA-N 1 3 170.300 1.230 20 0 ADADHO Cn1ccc(CNCCC(C)(C)[NH3+])c1 903939429 582629573 /nfs/dbraw/zinc/62/95/73/582629573.db2.gz HBCYYVLCKUBULW-UHFFFAOYSA-N 1 3 195.310 1.242 20 0 ADADHO CC[C@H](C)C[NH2+][C@@H]1CNC[C@H]1C 903964434 582630457 /nfs/dbraw/zinc/63/04/57/582630457.db2.gz QRGOQFUVUNXEPG-IVZWLZJFSA-N 1 3 170.300 1.230 20 0 ADADHO CC[C@@H](C)C[NH2+][C@@H]1CNC[C@H]1C 903964435 582630905 /nfs/dbraw/zinc/63/09/05/582630905.db2.gz QRGOQFUVUNXEPG-OPRDCNLKSA-N 1 3 170.300 1.230 20 0 ADADHO C[C@]1(CN[C@@H]2C=CCC2)CCC[NH2+]C1 904377236 582637510 /nfs/dbraw/zinc/63/75/10/582637510.db2.gz LKGWIMYLMWIVJI-NEPJUHHUSA-N 1 3 194.322 1.684 20 0 ADADHO C[C@]1(C[NH2+][C@@H]2C=CCC2)CCCNC1 904377236 582637512 /nfs/dbraw/zinc/63/75/12/582637512.db2.gz LKGWIMYLMWIVJI-NEPJUHHUSA-N 1 3 194.322 1.684 20 0 ADADHO C[C@]1(CN[C@H]2C=CCC2)CCC[NH2+]C1 904377238 582636851 /nfs/dbraw/zinc/63/68/51/582636851.db2.gz LKGWIMYLMWIVJI-RYUDHWBXSA-N 1 3 194.322 1.684 20 0 ADADHO C[C@]1(C[NH2+][C@H]2C=CCC2)CCCNC1 904377238 582636853 /nfs/dbraw/zinc/63/68/53/582636853.db2.gz LKGWIMYLMWIVJI-RYUDHWBXSA-N 1 3 194.322 1.684 20 0 ADADHO C[C@@]1(CN[C@H]2C=CCC2)CCC[NH2+]C1 904377237 582637120 /nfs/dbraw/zinc/63/71/20/582637120.db2.gz LKGWIMYLMWIVJI-NWDGAFQWSA-N 1 3 194.322 1.684 20 0 ADADHO C[C@@]1(C[NH2+][C@H]2C=CCC2)CCCNC1 904377237 582637122 /nfs/dbraw/zinc/63/71/22/582637122.db2.gz LKGWIMYLMWIVJI-NWDGAFQWSA-N 1 3 194.322 1.684 20 0 ADADHO C[C@@]1(CN[C@@H]2C=CCC2)CCC[NH2+]C1 904377239 582637150 /nfs/dbraw/zinc/63/71/50/582637150.db2.gz LKGWIMYLMWIVJI-VXGBXAGGSA-N 1 3 194.322 1.684 20 0 ADADHO C[C@@]1(C[NH2+][C@@H]2C=CCC2)CCCNC1 904377239 582637152 /nfs/dbraw/zinc/63/71/52/582637152.db2.gz LKGWIMYLMWIVJI-VXGBXAGGSA-N 1 3 194.322 1.684 20 0 ADADHO COC1(CNCC2([NH3+])CC2)CCCC1 904442001 582637976 /nfs/dbraw/zinc/63/79/76/582637976.db2.gz BXKJUXWPCFCRHP-UHFFFAOYSA-N 1 3 198.310 1.027 20 0 ADADHO CC1(C[N@@H+]2C[C@@H]3CCNC[C@@H]3C2)CC1 904420171 582638730 /nfs/dbraw/zinc/63/87/30/582638730.db2.gz FJZRDFAADWCOBH-WDEREUQCSA-N 1 3 194.322 1.328 20 0 ADADHO CC1(C[N@H+]2C[C@@H]3CCNC[C@@H]3C2)CC1 904420171 582638732 /nfs/dbraw/zinc/63/87/32/582638732.db2.gz FJZRDFAADWCOBH-WDEREUQCSA-N 1 3 194.322 1.328 20 0 ADADHO CSCC(C)(C)[NH2+]CCCN 904477718 582639265 /nfs/dbraw/zinc/63/92/65/582639265.db2.gz XEUVXGLKOVZQKF-UHFFFAOYSA-N 1 3 176.329 1.066 20 0 ADADHO CSCC(C)(C)NCCC[NH3+] 904477718 582639266 /nfs/dbraw/zinc/63/92/66/582639266.db2.gz XEUVXGLKOVZQKF-UHFFFAOYSA-N 1 3 176.329 1.066 20 0 ADADHO CCCCC[C@@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 841081685 582652557 /nfs/dbraw/zinc/65/25/57/582652557.db2.gz WMLJNFXYIFYZPH-WYUUTHIRSA-N 1 3 196.338 1.763 20 0 ADADHO CCCCC[C@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 841081673 582652948 /nfs/dbraw/zinc/65/29/48/582652948.db2.gz WMLJNFXYIFYZPH-NNYUYHANSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](C[NH2+][C@H]1C[C@H](N)C1)C(C)(C)C 906518470 582655560 /nfs/dbraw/zinc/65/55/60/582655560.db2.gz OYKCUNAJEDFJDR-GUBZILKMSA-N 1 3 184.327 1.748 20 0 ADADHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](N)C1 906517042 582655659 /nfs/dbraw/zinc/65/56/59/582655659.db2.gz CYVPAQFCMGHIRN-DCAQKATOSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H](N)C2)C1 906518425 582655695 /nfs/dbraw/zinc/65/56/95/582655695.db2.gz NISUSNAXVIICRM-USZNOCQGSA-N 1 3 196.338 1.892 20 0 ADADHO N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 906517328 582655710 /nfs/dbraw/zinc/65/57/10/582655710.db2.gz MVVLXFJFALFBBZ-XYPYZODXSA-N 1 3 182.311 1.646 20 0 ADADHO CC[C@@H](C)C[NH2+][C@H]1C[C@H](N)C1 906518005 582655721 /nfs/dbraw/zinc/65/57/21/582655721.db2.gz MTDSNWMLKTUPJT-IWSPIJDZSA-N 1 3 156.273 1.112 20 0 ADADHO CCC(CC)C[NH2+][C@H]1C[C@H](N)C1 906517783 582655740 /nfs/dbraw/zinc/65/57/40/582655740.db2.gz QJCKWCVGITVIEG-MGCOHNPYSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](C[NH2+][C@H]1C[C@H](N)C1)C(C)(C)C 906518471 582655745 /nfs/dbraw/zinc/65/57/45/582655745.db2.gz OYKCUNAJEDFJDR-OPRDCNLKSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H](N)C2)C1 906518024 582655805 /nfs/dbraw/zinc/65/58/05/582655805.db2.gz NISUSNAXVIICRM-DDHJBXDOSA-N 1 3 196.338 1.892 20 0 ADADHO CC[C@H](C)C[NH2+][C@H]1C[C@H](N)C1 906518004 582655885 /nfs/dbraw/zinc/65/58/85/582655885.db2.gz MTDSNWMLKTUPJT-CIUDSAMLSA-N 1 3 156.273 1.112 20 0 ADADHO C[C@@H]([NH2+][C@H]1C[C@H](N)C1)C1CCC1 906517055 582655907 /nfs/dbraw/zinc/65/59/07/582655907.db2.gz DEJARIFRVNDQBK-SZEHBUNVSA-N 1 3 168.284 1.254 20 0 ADADHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](N)C1 906517044 582655928 /nfs/dbraw/zinc/65/59/28/582655928.db2.gz CYVPAQFCMGHIRN-GMTAPVOTSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H]([NH2+][C@H]1C[C@H](N)C1)C1CCC1 906517053 582655952 /nfs/dbraw/zinc/65/59/52/582655952.db2.gz DEJARIFRVNDQBK-HGNGGELXSA-N 1 3 168.284 1.254 20 0 ADADHO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1C[C@H](N)C1 906516258 582656011 /nfs/dbraw/zinc/65/60/11/582656011.db2.gz ACSHJACFYYKWPV-WRWGMCAJSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)CCC[NH2+][C@H]1C[C@H](N)C1 906517094 582656061 /nfs/dbraw/zinc/65/60/61/582656061.db2.gz DUXLFUIEWNOZIV-MGCOHNPYSA-N 1 3 170.300 1.502 20 0 ADADHO CC(C)CCCN[C@H]1C[C@H]([NH3+])C1 906517094 582656062 /nfs/dbraw/zinc/65/60/62/582656062.db2.gz DUXLFUIEWNOZIV-MGCOHNPYSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H](N)C2)C1 906518426 582656103 /nfs/dbraw/zinc/65/61/03/582656103.db2.gz NISUSNAXVIICRM-WRWGMCAJSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H]1CCC[C@H](C[NH2+][C@H]2C[C@H](N)C2)C1 906518023 582656115 /nfs/dbraw/zinc/65/61/15/582656115.db2.gz NISUSNAXVIICRM-BJDJZHNGSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)(C)CC[NH2+][C@H]1C[C@H](N)C1 906519322 582656330 /nfs/dbraw/zinc/65/63/30/582656330.db2.gz YEUXXZXPROPEQR-KYZUINATSA-N 1 3 170.300 1.502 20 0 ADADHO CC(C)(C)CCN[C@H]1C[C@H]([NH3+])C1 906519322 582656332 /nfs/dbraw/zinc/65/63/32/582656332.db2.gz YEUXXZXPROPEQR-KYZUINATSA-N 1 3 170.300 1.502 20 0 ADADHO COC1(CN[C@H]2C[C@H]([NH3+])C2)CCCC1 906517106 582656370 /nfs/dbraw/zinc/65/63/70/582656370.db2.gz FIRWNEGRNOBCGS-MGCOHNPYSA-N 1 3 198.310 1.025 20 0 ADADHO CCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 228987011 582670142 /nfs/dbraw/zinc/67/01/42/582670142.db2.gz WHBLCWGRSDQDBK-MNOVXSKESA-N 1 3 184.327 1.703 20 0 ADADHO CCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 228987011 582670143 /nfs/dbraw/zinc/67/01/43/582670143.db2.gz WHBLCWGRSDQDBK-MNOVXSKESA-N 1 3 184.327 1.703 20 0 ADADHO CCCC[C@H]1CNCC[C@H]1[NH3+] 213738393 582670611 /nfs/dbraw/zinc/67/06/11/582670611.db2.gz DRFUBFGVJCREKZ-DTWKUNHWSA-N 1 3 156.273 1.113 20 0 ADADHO CCCC[C@H]1C[NH2+]CC[C@H]1N 213738393 582670614 /nfs/dbraw/zinc/67/06/14/582670614.db2.gz DRFUBFGVJCREKZ-DTWKUNHWSA-N 1 3 156.273 1.113 20 0 ADADHO CCCC[C@@H]1CNCC[C@H]1[NH3+] 213738333 582670786 /nfs/dbraw/zinc/67/07/86/582670786.db2.gz DRFUBFGVJCREKZ-RKDXNWHRSA-N 1 3 156.273 1.113 20 0 ADADHO CCCC[C@@H]1C[NH2+]CC[C@H]1N 213738333 582670787 /nfs/dbraw/zinc/67/07/87/582670787.db2.gz DRFUBFGVJCREKZ-RKDXNWHRSA-N 1 3 156.273 1.113 20 0 ADADHO CC[C@@H](C)[NH2+]CC1=CCN(C)CC1 393712409 582675947 /nfs/dbraw/zinc/67/59/47/582675947.db2.gz UTTCZMKMBHGTRJ-SNVBAGLBSA-N 1 3 182.311 1.636 20 0 ADADHO CC1(C)CC[C@H]1[NH2+][C@@H]1CCCNCC1 307548730 582691887 /nfs/dbraw/zinc/69/18/87/582691887.db2.gz OOHJZKVBURZLDM-GHMZBOCLSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CC[C@H]1[NH2+][C@H]1CCCNCC1 307548735 582691720 /nfs/dbraw/zinc/69/17/20/582691720.db2.gz OOHJZKVBURZLDM-WDEREUQCSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCNCC1 307548734 582691788 /nfs/dbraw/zinc/69/17/88/582691788.db2.gz OOHJZKVBURZLDM-QWRGUYRKSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCC[C@@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 307651982 582692360 /nfs/dbraw/zinc/69/23/60/582692360.db2.gz SCVZGGYDJOGQTF-WYUUTHIRSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCN1 307651982 582692363 /nfs/dbraw/zinc/69/23/63/582692363.db2.gz SCVZGGYDJOGQTF-WYUUTHIRSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1CCC[C@@H]1N[C@H](C)[C@H]1CCC[NH2+]1 307651981 582692416 /nfs/dbraw/zinc/69/24/16/582692416.db2.gz SCVZGGYDJOGQTF-WISYIIOYSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCN1 307651981 582692418 /nfs/dbraw/zinc/69/24/18/582692418.db2.gz SCVZGGYDJOGQTF-WISYIIOYSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](N[C@H]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 307651980 582692424 /nfs/dbraw/zinc/69/24/24/582692424.db2.gz SCVZGGYDJOGQTF-RHYQMDGZSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+][C@H]1CCC[C@H]1C)[C@@H]1CCCN1 307651980 582692426 /nfs/dbraw/zinc/69/24/26/582692426.db2.gz SCVZGGYDJOGQTF-RHYQMDGZSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](N[C@H]1CCC[C@H]1C)[C@H]1CCC[NH2+]1 307651979 582692534 /nfs/dbraw/zinc/69/25/34/582692534.db2.gz SCVZGGYDJOGQTF-NOOOWODRSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+][C@H]1CCC[C@H]1C)[C@H]1CCCN1 307651979 582692536 /nfs/dbraw/zinc/69/25/36/582692536.db2.gz SCVZGGYDJOGQTF-NOOOWODRSA-N 1 3 196.338 1.905 20 0 ADADHO CC1CC[NH+]([C@@H]2CCN[C@H](C)C2)CC1 229539562 582705640 /nfs/dbraw/zinc/70/56/40/582705640.db2.gz CGJDWPNOKWSOOE-VXGBXAGGSA-N 1 3 196.338 1.859 20 0 ADADHO CC1CC[NH+]([C@@H]2CCN[C@@H](C)C2)CC1 229539540 582705692 /nfs/dbraw/zinc/70/56/92/582705692.db2.gz CGJDWPNOKWSOOE-NWDGAFQWSA-N 1 3 196.338 1.859 20 0 ADADHO CC1CC[NH+]([C@H]2CCN[C@@H](C)C2)CC1 229539551 582705789 /nfs/dbraw/zinc/70/57/89/582705789.db2.gz CGJDWPNOKWSOOE-RYUDHWBXSA-N 1 3 196.338 1.859 20 0 ADADHO CCC[N@H+](C)[C@H]1CCN[C@@H](C)C1 229541321 582706046 /nfs/dbraw/zinc/70/60/46/582706046.db2.gz ZTAMJIBOSDEAOA-UWVGGRQHSA-N 1 3 170.300 1.469 20 0 ADADHO CCC[N@@H+](C)[C@H]1CCN[C@@H](C)C1 229541321 582706048 /nfs/dbraw/zinc/70/60/48/582706048.db2.gz ZTAMJIBOSDEAOA-UWVGGRQHSA-N 1 3 170.300 1.469 20 0 ADADHO CCCN(C)[C@H]1CC[NH2+][C@@H](C)C1 229541321 582706050 /nfs/dbraw/zinc/70/60/50/582706050.db2.gz ZTAMJIBOSDEAOA-UWVGGRQHSA-N 1 3 170.300 1.469 20 0 ADADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](C)C2)CCN1 229540343 582706642 /nfs/dbraw/zinc/70/66/42/582706642.db2.gz BKGRDDFUDSZVQT-GRYCIOLGSA-N 1 3 196.338 1.859 20 0 ADADHO C[C@H]1C[C@H]([N@H+]2CCC[C@@H](C)C2)CCN1 229540343 582706643 /nfs/dbraw/zinc/70/66/43/582706643.db2.gz BKGRDDFUDSZVQT-GRYCIOLGSA-N 1 3 196.338 1.859 20 0 ADADHO CCC[N@H+](C)[C@@H]1CCN[C@@H](C)C1 229541311 582706701 /nfs/dbraw/zinc/70/67/01/582706701.db2.gz ZTAMJIBOSDEAOA-VHSXEESVSA-N 1 3 170.300 1.469 20 0 ADADHO CCC[N@@H+](C)[C@@H]1CCN[C@@H](C)C1 229541311 582706702 /nfs/dbraw/zinc/70/67/02/582706702.db2.gz ZTAMJIBOSDEAOA-VHSXEESVSA-N 1 3 170.300 1.469 20 0 ADADHO CCCN(C)[C@@H]1CC[NH2+][C@@H](C)C1 229541311 582706703 /nfs/dbraw/zinc/70/67/03/582706703.db2.gz ZTAMJIBOSDEAOA-VHSXEESVSA-N 1 3 170.300 1.469 20 0 ADADHO CCN(CC)CCC[N@H+]1C[C@H]2C[C@H]2C1 886346623 582737090 /nfs/dbraw/zinc/73/70/90/582737090.db2.gz MRTNWCQXYUNXDT-TXEJJXNPSA-N 1 3 196.338 1.670 20 0 ADADHO CCN(CC)CCC[N@@H+]1C[C@H]2C[C@H]2C1 886346623 582737091 /nfs/dbraw/zinc/73/70/91/582737091.db2.gz MRTNWCQXYUNXDT-TXEJJXNPSA-N 1 3 196.338 1.670 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CCC1CCC1 817906865 582998649 /nfs/dbraw/zinc/99/86/49/582998649.db2.gz FNMAIOOSMFDMGR-VHSXEESVSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC=CO1 817924455 582998744 /nfs/dbraw/zinc/99/87/44/582998744.db2.gz ROHFTMMDCVSKBW-GARJFASQSA-N 1 3 198.310 1.395 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@@H]1CCC1(C)C 817931044 582998807 /nfs/dbraw/zinc/99/88/07/582998807.db2.gz HWTGUUILXHKYTG-IVZWLZJFSA-N 1 3 184.327 1.890 20 0 ADADHO CNCCC[NH2+][C@@H]1CC[C@H]1C1CC1 817940509 582998812 /nfs/dbraw/zinc/99/88/12/582998812.db2.gz NNMRVYKZVVTEIZ-WDEREUQCSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 817924046 582998821 /nfs/dbraw/zinc/99/88/21/582998821.db2.gz LTVPBLWYKPGHON-NAKRPEOUSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC=CO1 817924454 582998876 /nfs/dbraw/zinc/99/88/76/582998876.db2.gz ROHFTMMDCVSKBW-DCAQKATOSA-N 1 3 198.310 1.395 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CCC1CCC1 817906863 582998971 /nfs/dbraw/zinc/99/89/71/582998971.db2.gz FNMAIOOSMFDMGR-NXEZZACHSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)NC[C@H]1CCC=CO1 817924456 582998988 /nfs/dbraw/zinc/99/89/88/582998988.db2.gz ROHFTMMDCVSKBW-HBNTYKKESA-N 1 3 198.310 1.395 20 0 ADADHO C1C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)CN1 817927145 582999000 /nfs/dbraw/zinc/99/90/00/582999000.db2.gz CESVMCPEFJVSAL-DCAQKATOSA-N 1 3 180.295 1.127 20 0 ADADHO C1C[NH2+]C[C@H](N[C@H]2CC[C@H]2C2CC2)C1 817940831 582999012 /nfs/dbraw/zinc/99/90/12/582999012.db2.gz LEIWGYLUOIGDJL-WOPDTQHZSA-N 1 3 194.322 1.517 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 817924047 582999045 /nfs/dbraw/zinc/99/90/45/582999045.db2.gz LTVPBLWYKPGHON-RCWTZXSCSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC1(C)C 817931042 582999088 /nfs/dbraw/zinc/99/90/88/582999088.db2.gz HWTGUUILXHKYTG-GUBZILKMSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@H]1CCC1(C)C 817931040 582999096 /nfs/dbraw/zinc/99/90/96/582999096.db2.gz HWTGUUILXHKYTG-AEJSXWLSSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 817924051 582999101 /nfs/dbraw/zinc/99/91/01/582999101.db2.gz LTVPBLWYKPGHON-XWLWVQCSSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC1(C)C 817931045 582999184 /nfs/dbraw/zinc/99/91/84/582999184.db2.gz HWTGUUILXHKYTG-LPEHRKFASA-N 1 3 184.327 1.890 20 0 ADADHO C1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)CN1 817927147 582999193 /nfs/dbraw/zinc/99/91/93/582999193.db2.gz CESVMCPEFJVSAL-GARJFASQSA-N 1 3 180.295 1.127 20 0 ADADHO CNCCC[NH2+][C@H]1CC[C@H]1C1CC1 817940508 582999197 /nfs/dbraw/zinc/99/91/97/582999197.db2.gz NNMRVYKZVVTEIZ-QWRGUYRKSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)NC[C@@H]1CCC=CO1 817924453 582999208 /nfs/dbraw/zinc/99/92/08/582999208.db2.gz ROHFTMMDCVSKBW-AXFHLTTASA-N 1 3 198.310 1.395 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 817924049 582999210 /nfs/dbraw/zinc/99/92/10/582999210.db2.gz LTVPBLWYKPGHON-VPOLOUISSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CCC1CCC1 817906864 582999219 /nfs/dbraw/zinc/99/92/19/582999219.db2.gz FNMAIOOSMFDMGR-UWVGGRQHSA-N 1 3 184.327 1.892 20 0 ADADHO CNCCC[NH2+][C@H]1CC[C@@H]1C1CC1 817940507 582999222 /nfs/dbraw/zinc/99/92/22/582999222.db2.gz NNMRVYKZVVTEIZ-MNOVXSKESA-N 1 3 182.311 1.374 20 0 ADADHO C1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)CN1 817927149 582999256 /nfs/dbraw/zinc/99/92/56/582999256.db2.gz CESVMCPEFJVSAL-HBNTYKKESA-N 1 3 180.295 1.127 20 0 ADADHO C1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)CN1 817927138 582999323 /nfs/dbraw/zinc/99/93/23/582999323.db2.gz CESVMCPEFJVSAL-AXFHLTTASA-N 1 3 180.295 1.127 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CCC1CCC1 817906866 582999337 /nfs/dbraw/zinc/99/93/37/582999337.db2.gz FNMAIOOSMFDMGR-ZJUUUORDSA-N 1 3 184.327 1.892 20 0 ADADHO CNCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 817940506 582999384 /nfs/dbraw/zinc/99/93/84/582999384.db2.gz NNMRVYKZVVTEIZ-GHMZBOCLSA-N 1 3 182.311 1.374 20 0 ADADHO C1C[NH2+]C[C@H](N[C@H]2CC[C@@H]2C2CC2)C1 817940830 582999446 /nfs/dbraw/zinc/99/94/46/582999446.db2.gz LEIWGYLUOIGDJL-UTUOFQBUSA-N 1 3 194.322 1.517 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CC[C@@H]1C1CC1 817961660 582999654 /nfs/dbraw/zinc/99/96/54/582999654.db2.gz BWPSHVWXKOGQPT-IEBDPFPHSA-N 1 3 182.311 1.359 20 0 ADADHO C[NH2+]CCN[C@H](C)CC(C)(C)C 817953309 582999686 /nfs/dbraw/zinc/99/96/86/582999686.db2.gz ZXVYMTFNRYQQRJ-SECBINFHSA-N 1 3 172.316 1.620 20 0 ADADHO CCNCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 817944009 582999860 /nfs/dbraw/zinc/99/98/60/582999860.db2.gz VOABSGLQXXDEFU-VXGBXAGGSA-N 1 3 196.338 1.764 20 0 ADADHO CC[NH2+]CCCN[C@@H]1CC[C@@H]1C1CC1 817944009 582999861 /nfs/dbraw/zinc/99/98/61/582999861.db2.gz VOABSGLQXXDEFU-VXGBXAGGSA-N 1 3 196.338 1.764 20 0 ADADHO C(C[NH2+]C1CC1)N[C@@H]1CC[C@@H]1C1CC1 817951836 582999891 /nfs/dbraw/zinc/99/98/91/582999891.db2.gz BBMGKENWHVQCCF-VXGBXAGGSA-N 1 3 194.322 1.517 20 0 ADADHO C1C[NH2+]C[C@@H](N[C@H]2CC[C@H]2C2CC2)C1 817964964 582999923 /nfs/dbraw/zinc/99/99/23/582999923.db2.gz LEIWGYLUOIGDJL-SRVKXCTJSA-N 1 3 194.322 1.517 20 0 ADADHO C(C[NH2+]C1CC1)N[C@H]1CC[C@@H]1C1CC1 817951829 582999981 /nfs/dbraw/zinc/99/99/81/582999981.db2.gz BBMGKENWHVQCCF-NEPJUHHUSA-N 1 3 194.322 1.517 20 0 ADADHO C(C[NH2+]C1CC1)N[C@@H]1CC[C@H]1C1CC1 817951832 582999989 /nfs/dbraw/zinc/99/99/89/582999989.db2.gz BBMGKENWHVQCCF-NWDGAFQWSA-N 1 3 194.322 1.517 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CC[C@H]1C1CC1 817961661 583000000 /nfs/dbraw/zinc/00/00/00/583000000.db2.gz BWPSHVWXKOGQPT-MIMYLULJSA-N 1 3 182.311 1.359 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CC[C@@H]1C1CC1 817951757 583000227 /nfs/dbraw/zinc/00/02/27/583000227.db2.gz HAXPRJIACJJFDM-GDPRMGEGSA-N 1 3 182.311 1.502 20 0 ADADHO CCNCCC[NH2+][C@H]1CC[C@H]1C1CC1 817944008 583000230 /nfs/dbraw/zinc/00/02/30/583000230.db2.gz VOABSGLQXXDEFU-RYUDHWBXSA-N 1 3 196.338 1.764 20 0 ADADHO CC[NH2+]CCCN[C@H]1CC[C@H]1C1CC1 817944008 583000232 /nfs/dbraw/zinc/00/02/32/583000232.db2.gz VOABSGLQXXDEFU-RYUDHWBXSA-N 1 3 196.338 1.764 20 0 ADADHO C[NH2+]CCN[C@@H](C)CC(C)(C)C 817953310 583000237 /nfs/dbraw/zinc/00/02/37/583000237.db2.gz ZXVYMTFNRYQQRJ-VIFPVBQESA-N 1 3 172.316 1.620 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H]1C1CC1 817961658 583000289 /nfs/dbraw/zinc/00/02/89/583000289.db2.gz BWPSHVWXKOGQPT-DVVUODLYSA-N 1 3 182.311 1.359 20 0 ADADHO C(C[NH2+]C1CC1)N[C@H]1CC[C@H]1C1CC1 817951834 583000296 /nfs/dbraw/zinc/00/02/96/583000296.db2.gz BBMGKENWHVQCCF-RYUDHWBXSA-N 1 3 194.322 1.517 20 0 ADADHO C1C[NH2+]C[C@@H](N[C@@H]2CC[C@H]2C2CC2)C1 817964963 583000307 /nfs/dbraw/zinc/00/03/07/583000307.db2.gz LEIWGYLUOIGDJL-SDDRHHMPSA-N 1 3 194.322 1.517 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@H]1C1CC1 817951759 583000358 /nfs/dbraw/zinc/00/03/58/583000358.db2.gz HAXPRJIACJJFDM-INTQDDNPSA-N 1 3 182.311 1.502 20 0 ADADHO C1C[NH2+]C[C@H](N[C@@H]2CC[C@@H]2C2CC2)C1 817940828 583000378 /nfs/dbraw/zinc/00/03/78/583000378.db2.gz LEIWGYLUOIGDJL-IJLUTSLNSA-N 1 3 194.322 1.517 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CC[C@H]1C1CC1 817951762 583000403 /nfs/dbraw/zinc/00/04/03/583000403.db2.gz HAXPRJIACJJFDM-LSJOCFKGSA-N 1 3 182.311 1.502 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 817951760 583000504 /nfs/dbraw/zinc/00/05/04/583000504.db2.gz HAXPRJIACJJFDM-JMJZKYOTSA-N 1 3 182.311 1.502 20 0 ADADHO CCNCCC[NH2+][C@H]1CC[C@@H]1C1CC1 817944006 583000513 /nfs/dbraw/zinc/00/05/13/583000513.db2.gz VOABSGLQXXDEFU-NEPJUHHUSA-N 1 3 196.338 1.764 20 0 ADADHO CC[NH2+]CCCN[C@H]1CC[C@@H]1C1CC1 817944006 583000516 /nfs/dbraw/zinc/00/05/16/583000516.db2.gz VOABSGLQXXDEFU-NEPJUHHUSA-N 1 3 196.338 1.764 20 0 ADADHO C1C[NH2+]C[C@H](N[C@@H]2CC[C@H]2C2CC2)C1 817940824 583000634 /nfs/dbraw/zinc/00/06/34/583000634.db2.gz LEIWGYLUOIGDJL-GRYCIOLGSA-N 1 3 194.322 1.517 20 0 ADADHO CCNCCC[NH2+][C@@H]1CC[C@H]1C1CC1 817944007 583000654 /nfs/dbraw/zinc/00/06/54/583000654.db2.gz VOABSGLQXXDEFU-NWDGAFQWSA-N 1 3 196.338 1.764 20 0 ADADHO CC[NH2+]CCCN[C@@H]1CC[C@H]1C1CC1 817944007 583000658 /nfs/dbraw/zinc/00/06/58/583000658.db2.gz VOABSGLQXXDEFU-NWDGAFQWSA-N 1 3 196.338 1.764 20 0 ADADHO C1C[NH2+]C[C@@H](N[C@@H]2CC[C@@H]2C2CC2)C1 817964962 583000677 /nfs/dbraw/zinc/00/06/77/583000677.db2.gz LEIWGYLUOIGDJL-QJPTWQEYSA-N 1 3 194.322 1.517 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]1C1CC1 817961659 583000697 /nfs/dbraw/zinc/00/06/97/583000697.db2.gz BWPSHVWXKOGQPT-FBIMIBRVSA-N 1 3 182.311 1.359 20 0 ADADHO C1C[NH2+]C[C@@H](N[C@H]2CC[C@@H]2C2CC2)C1 817964965 583000707 /nfs/dbraw/zinc/00/07/07/583000707.db2.gz LEIWGYLUOIGDJL-TUAOUCFPSA-N 1 3 194.322 1.517 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H]1CC[C@H]1C1CC1 817971837 583001126 /nfs/dbraw/zinc/00/11/26/583001126.db2.gz HROOGSWKKSCMEG-USWWRNFRSA-N 1 3 196.338 1.763 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H]1C1CC1 817971838 583001381 /nfs/dbraw/zinc/00/13/81/583001381.db2.gz HROOGSWKKSCMEG-YUSALJHKSA-N 1 3 196.338 1.763 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H]1C1CC1 817971835 583001420 /nfs/dbraw/zinc/00/14/20/583001420.db2.gz HROOGSWKKSCMEG-ADEWGFFLSA-N 1 3 196.338 1.763 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H]1CC[C@@H]1C1CC1 817971836 583001828 /nfs/dbraw/zinc/00/18/28/583001828.db2.gz HROOGSWKKSCMEG-JLLWLGSASA-N 1 3 196.338 1.763 20 0 ADADHO CCCC[C@H](COC)N[C@@H](C)C[NH3+] 841066393 583111699 /nfs/dbraw/zinc/11/16/99/583111699.db2.gz LHIWZEONPIPPQU-VHSXEESVSA-N 1 3 188.315 1.128 20 0 ADADHO CC(C)CC[NH2+][C@@H]1CCNC1(C)C 841088395 583111839 /nfs/dbraw/zinc/11/18/39/583111839.db2.gz ZZOBTVMKNZJFIG-SNVBAGLBSA-N 1 3 184.327 1.763 20 0 ADADHO CC1(C)NCC[C@@H]1[NH2+]CC1CCCC1 841086433 583112120 /nfs/dbraw/zinc/11/21/20/583112120.db2.gz NTUBJZCQDBSLQM-NSHDSACASA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)NCC[C@H]1[NH2+]CC1CCCC1 841086431 583112690 /nfs/dbraw/zinc/11/26/90/583112690.db2.gz NTUBJZCQDBSLQM-LLVKDONJSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)CC[NH2+][C@H]1CCNC1(C)C 841088394 583112717 /nfs/dbraw/zinc/11/27/17/583112717.db2.gz ZZOBTVMKNZJFIG-JTQLQIEISA-N 1 3 184.327 1.763 20 0 ADADHO CCCC[C@@H](COC)N[C@@H](C)C[NH3+] 841066391 583112831 /nfs/dbraw/zinc/11/28/31/583112831.db2.gz LHIWZEONPIPPQU-UWVGGRQHSA-N 1 3 188.315 1.128 20 0 ADADHO [NH3+]CCCCCCNCc1cc[nH]n1 843126482 583132462 /nfs/dbraw/zinc/13/24/62/583132462.db2.gz GVVJKMFSAPFTQU-UHFFFAOYSA-N 1 3 196.298 1.018 20 0 ADADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1C=CCC1 854221294 583234551 /nfs/dbraw/zinc/23/45/51/583234551.db2.gz JUMWSMRNJSNCOI-IJLUTSLNSA-N 1 3 194.322 1.683 20 0 ADADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1C=CCC1 854221688 583234659 /nfs/dbraw/zinc/23/46/59/583234659.db2.gz SBMPSJCBJRGZBH-UTUOFQBUSA-N 1 3 194.322 1.955 20 0 ADADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1C=CCC1 854221293 583234702 /nfs/dbraw/zinc/23/47/02/583234702.db2.gz JUMWSMRNJSNCOI-GRYCIOLGSA-N 1 3 194.322 1.683 20 0 ADADHO C1C[C@@H]([NH2+][C@@H]2CC[C@H]2C2CC2)CN1 863545954 583310568 /nfs/dbraw/zinc/31/05/68/583310568.db2.gz CESVMCPEFJVSAL-OUAUKWLOSA-N 1 3 180.295 1.127 20 0 ADADHO C1C[C@@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)CN1 863545952 583310636 /nfs/dbraw/zinc/31/06/36/583310636.db2.gz CESVMCPEFJVSAL-GMTAPVOTSA-N 1 3 180.295 1.127 20 0 ADADHO C1C[C@@H]([NH2+][C@H]2CC[C@@H]2C2CC2)CN1 863545953 583311197 /nfs/dbraw/zinc/31/11/97/583311197.db2.gz CESVMCPEFJVSAL-MXWKQRLJSA-N 1 3 180.295 1.127 20 0 ADADHO C1C[C@@H]([NH2+][C@H]2CC[C@H]2C2CC2)CN1 863545955 583311288 /nfs/dbraw/zinc/31/12/88/583311288.db2.gz CESVMCPEFJVSAL-VWYCJHECSA-N 1 3 180.295 1.127 20 0 ADADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccco1 873255833 583371706 /nfs/dbraw/zinc/37/17/06/583371706.db2.gz JGNCDGJRVBMYHW-LPEHRKFASA-N 1 3 194.278 1.668 20 0 ADADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccco1 873257630 583371938 /nfs/dbraw/zinc/37/19/38/583371938.db2.gz JGNCDGJRVBMYHW-OPRDCNLKSA-N 1 3 194.278 1.668 20 0 ADADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccco1 873255831 583372167 /nfs/dbraw/zinc/37/21/67/583372167.db2.gz JGNCDGJRVBMYHW-BBBLOLIVSA-N 1 3 194.278 1.668 20 0 ADADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccco1 873257628 583372211 /nfs/dbraw/zinc/37/22/11/583372211.db2.gz JGNCDGJRVBMYHW-GUBZILKMSA-N 1 3 194.278 1.668 20 0 ADADHO CCCCCCN1CCC([NH3+])CC1 20519687 583381496 /nfs/dbraw/zinc/38/14/96/583381496.db2.gz ZRKJGYYOBCLVPV-UHFFFAOYSA-N 1 3 184.327 1.990 20 0 ADADHO CCCCCCN1CCC[C@@H]1C[NH3+] 20519815 583381766 /nfs/dbraw/zinc/38/17/66/583381766.db2.gz ZUKKYYUPKNWVFZ-LLVKDONJSA-N 1 3 184.327 1.990 20 0 ADADHO CCCCCC[N@H+](C)CCCN 20519714 583382129 /nfs/dbraw/zinc/38/21/29/583382129.db2.gz RJFJAHNWNCTCNZ-UHFFFAOYSA-N 1 3 172.316 1.847 20 0 ADADHO CCCCCC[N@@H+](C)CCCN 20519714 583382133 /nfs/dbraw/zinc/38/21/33/583382133.db2.gz RJFJAHNWNCTCNZ-UHFFFAOYSA-N 1 3 172.316 1.847 20 0 ADADHO CCCCCCN(C)CCC[NH3+] 20519714 583382135 /nfs/dbraw/zinc/38/21/35/583382135.db2.gz RJFJAHNWNCTCNZ-UHFFFAOYSA-N 1 3 172.316 1.847 20 0 ADADHO CCC[N@@H+]1CCC[C@@]12CCCNC2 211347735 583440395 /nfs/dbraw/zinc/44/03/95/583440395.db2.gz NDWLHOCUGJWZCD-LLVKDONJSA-N 1 3 182.311 1.614 20 0 ADADHO CCC[N@H+]1CCC[C@@]12CCCNC2 211347735 583440397 /nfs/dbraw/zinc/44/03/97/583440397.db2.gz NDWLHOCUGJWZCD-LLVKDONJSA-N 1 3 182.311 1.614 20 0 ADADHO CC(C)[N@@H+]1CCC[C@]12CCCNC2 211357874 583440423 /nfs/dbraw/zinc/44/04/23/583440423.db2.gz MLBJNVAUXXMRMZ-NSHDSACASA-N 1 3 182.311 1.613 20 0 ADADHO CC(C)[N@H+]1CCC[C@]12CCCNC2 211357874 583440425 /nfs/dbraw/zinc/44/04/25/583440425.db2.gz MLBJNVAUXXMRMZ-NSHDSACASA-N 1 3 182.311 1.613 20 0 ADADHO CC(C)C[N@@H+]1CCCC12CCNCC2 211347321 583440442 /nfs/dbraw/zinc/44/04/42/583440442.db2.gz BZKFGZSBSGBAHC-UHFFFAOYSA-N 1 3 196.338 1.860 20 0 ADADHO CC(C)C[N@H+]1CCCC12CCNCC2 211347321 583440443 /nfs/dbraw/zinc/44/04/43/583440443.db2.gz BZKFGZSBSGBAHC-UHFFFAOYSA-N 1 3 196.338 1.860 20 0 ADADHO CC[N@@H+]1CCC[C@@]12CCCNC2 211348059 583440483 /nfs/dbraw/zinc/44/04/83/583440483.db2.gz WKESJZPYHSLCQU-SNVBAGLBSA-N 1 3 168.284 1.224 20 0 ADADHO CC[N@H+]1CCC[C@@]12CCCNC2 211348059 583440486 /nfs/dbraw/zinc/44/04/86/583440486.db2.gz WKESJZPYHSLCQU-SNVBAGLBSA-N 1 3 168.284 1.224 20 0 ADADHO CC(C)[N@@H+]1CCC[C@@]12CCCNC2 211357812 583440570 /nfs/dbraw/zinc/44/05/70/583440570.db2.gz MLBJNVAUXXMRMZ-LLVKDONJSA-N 1 3 182.311 1.613 20 0 ADADHO CC(C)[N@H+]1CCC[C@@]12CCCNC2 211357812 583440572 /nfs/dbraw/zinc/44/05/72/583440572.db2.gz MLBJNVAUXXMRMZ-LLVKDONJSA-N 1 3 182.311 1.613 20 0 ADADHO CCC[N@@H+]1CCCC12CCNCC2 211347047 583440616 /nfs/dbraw/zinc/44/06/16/583440616.db2.gz LAUHXKYJENPXBQ-UHFFFAOYSA-N 1 3 182.311 1.614 20 0 ADADHO CCC[N@H+]1CCCC12CCNCC2 211347047 583440620 /nfs/dbraw/zinc/44/06/20/583440620.db2.gz LAUHXKYJENPXBQ-UHFFFAOYSA-N 1 3 182.311 1.614 20 0 ADADHO CCC[N@@H+]1CCC[C@]12CCCNC2 211347801 583440865 /nfs/dbraw/zinc/44/08/65/583440865.db2.gz NDWLHOCUGJWZCD-NSHDSACASA-N 1 3 182.311 1.614 20 0 ADADHO CCC[N@H+]1CCC[C@]12CCCNC2 211347801 583440866 /nfs/dbraw/zinc/44/08/66/583440866.db2.gz NDWLHOCUGJWZCD-NSHDSACASA-N 1 3 182.311 1.614 20 0 ADADHO CC(C)[N@@H+]1CCCC12CCNCC2 211357527 583441379 /nfs/dbraw/zinc/44/13/79/583441379.db2.gz HJLGMBHMYSUDHG-UHFFFAOYSA-N 1 3 182.311 1.613 20 0 ADADHO CC(C)[N@H+]1CCCC12CCNCC2 211357527 583441381 /nfs/dbraw/zinc/44/13/81/583441381.db2.gz HJLGMBHMYSUDHG-UHFFFAOYSA-N 1 3 182.311 1.613 20 0 ADADHO CCCC[C@H]1CCNC[C@H]1[NH3+] 213737844 583458823 /nfs/dbraw/zinc/45/88/23/583458823.db2.gz AQLAUAKVYASFGK-DTWKUNHWSA-N 1 3 156.273 1.113 20 0 ADADHO CCCC[C@@H]1CCNC[C@@H]1[NH3+] 213737654 583459120 /nfs/dbraw/zinc/45/91/20/583459120.db2.gz AQLAUAKVYASFGK-BDAKNGLRSA-N 1 3 156.273 1.113 20 0 ADADHO CCCC[C@@H]1CNCC[C@@H]1[NH3+] 213738212 583459157 /nfs/dbraw/zinc/45/91/57/583459157.db2.gz DRFUBFGVJCREKZ-BDAKNGLRSA-N 1 3 156.273 1.113 20 0 ADADHO CCCC[C@@H]1C[NH2+]CC[C@@H]1N 213738212 583459158 /nfs/dbraw/zinc/45/91/58/583459158.db2.gz DRFUBFGVJCREKZ-BDAKNGLRSA-N 1 3 156.273 1.113 20 0 ADADHO CCCC[C@H]1CNCC[C@@H]1[NH3+] 213738272 583459450 /nfs/dbraw/zinc/45/94/50/583459450.db2.gz DRFUBFGVJCREKZ-IUCAKERBSA-N 1 3 156.273 1.113 20 0 ADADHO CCCC[C@H]1C[NH2+]CC[C@@H]1N 213738272 583459452 /nfs/dbraw/zinc/45/94/52/583459452.db2.gz DRFUBFGVJCREKZ-IUCAKERBSA-N 1 3 156.273 1.113 20 0 ADADHO CCCC[C@H]1CCNC[C@@H]1[NH3+] 213737710 583459611 /nfs/dbraw/zinc/45/96/11/583459611.db2.gz AQLAUAKVYASFGK-IUCAKERBSA-N 1 3 156.273 1.113 20 0 ADADHO CCCC[C@@H]1CCNC[C@H]1[NH3+] 213737782 583459781 /nfs/dbraw/zinc/45/97/81/583459781.db2.gz AQLAUAKVYASFGK-RKDXNWHRSA-N 1 3 156.273 1.113 20 0 ADADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2C[C@H]2C1 886346631 583497042 /nfs/dbraw/zinc/49/70/42/583497042.db2.gz MXTPBYVRXHWQOD-GRYCIOLGSA-N 1 3 194.322 1.422 20 0 ADADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H]2C[C@H]2C1 886346631 583497044 /nfs/dbraw/zinc/49/70/44/583497044.db2.gz MXTPBYVRXHWQOD-GRYCIOLGSA-N 1 3 194.322 1.422 20 0 ADADHO C[N@@H+]1CCC[C@H]1CCN1C[C@H]2C[C@H]2C1 886346634 583497391 /nfs/dbraw/zinc/49/73/91/583497391.db2.gz MXTPBYVRXHWQOD-TUAOUCFPSA-N 1 3 194.322 1.422 20 0 ADADHO C[N@H+]1CCC[C@H]1CCN1C[C@H]2C[C@H]2C1 886346634 583497394 /nfs/dbraw/zinc/49/73/94/583497394.db2.gz MXTPBYVRXHWQOD-TUAOUCFPSA-N 1 3 194.322 1.422 20 0 ADADHO CC(C)CCC[NH2+]C1CCNCC1 38093748 490013762 /nfs/dbraw/zinc/01/37/62/490013762.db2.gz BAIAWEIJYRBVRD-UHFFFAOYSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)C[NH2+]C[C@@H]1CCCNC1 40408515 490014135 /nfs/dbraw/zinc/01/41/35/490014135.db2.gz KRRJUNAOYGMWFT-SNVBAGLBSA-N 1 3 170.300 1.232 20 0 ADADHO CC(C)[C@H](N)C[NH2+]Cc1cccs1 40397570 490014156 /nfs/dbraw/zinc/01/41/56/490014156.db2.gz WGAHIEOYLJUTFA-SNVBAGLBSA-N 1 3 198.335 1.821 20 0 ADADHO CC(C)C[NH2+]C[C@H]1CCCNC1 40408519 490014162 /nfs/dbraw/zinc/01/41/62/490014162.db2.gz KRRJUNAOYGMWFT-JTQLQIEISA-N 1 3 170.300 1.232 20 0 ADADHO C[NH2+]CCNC1CCCCCC1 40397440 490014183 /nfs/dbraw/zinc/01/41/83/490014183.db2.gz AELRYFDVYHSUEN-UHFFFAOYSA-N 1 3 170.300 1.518 20 0 ADADHO CC[C@H](N)C[NH2+]Cc1cccs1 40397628 490014190 /nfs/dbraw/zinc/01/41/90/490014190.db2.gz MJBYUALDQVZZKY-QMMMGPOBSA-N 1 3 184.308 1.575 20 0 ADADHO CC[C@@H](N)C[NH2+]Cc1cccs1 40397630 490014197 /nfs/dbraw/zinc/01/41/97/490014197.db2.gz MJBYUALDQVZZKY-MRVPVSSYSA-N 1 3 184.308 1.575 20 0 ADADHO CC(C)CNC[C@@H]1CCCC[NH2+]1 40408523 490014279 /nfs/dbraw/zinc/01/42/79/490014279.db2.gz IJGLPQBTEIRLLP-JTQLQIEISA-N 1 3 170.300 1.374 20 0 ADADHO CC(C)[C@@H](N)C[NH2+]Cc1cccs1 40397572 490014293 /nfs/dbraw/zinc/01/42/93/490014293.db2.gz WGAHIEOYLJUTFA-JTQLQIEISA-N 1 3 198.335 1.821 20 0 ADADHO CC(C)CNC[C@H]1CCCC[NH2+]1 40408527 490014328 /nfs/dbraw/zinc/01/43/28/490014328.db2.gz IJGLPQBTEIRLLP-SNVBAGLBSA-N 1 3 170.300 1.374 20 0 ADADHO C(CNC1CC1)C[NH2+]CC1CC1 40409600 490014538 /nfs/dbraw/zinc/01/45/38/490014538.db2.gz SXKCQGSWDPVXBH-UHFFFAOYSA-N 1 3 168.284 1.128 20 0 ADADHO C(CNC1CC1)C[NH2+]C1CCCC1 40408978 490014734 /nfs/dbraw/zinc/01/47/34/490014734.db2.gz CSRPDPYSSCKELJ-UHFFFAOYSA-N 1 3 182.311 1.661 20 0 ADADHO CC(C)C[NH2+]CCCNC1CC1 40408714 490014775 /nfs/dbraw/zinc/01/47/75/490014775.db2.gz POHCWRKGDPJXJA-UHFFFAOYSA-N 1 3 170.300 1.374 20 0 ADADHO CC(C)CC[N@H+](C)C[C@H]1CCCNC1 42457830 490015136 /nfs/dbraw/zinc/01/51/36/490015136.db2.gz ADXLYSZQDOUNFS-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)CC[N@@H+](C)C[C@H]1CCCNC1 42457830 490015137 /nfs/dbraw/zinc/01/51/37/490015137.db2.gz ADXLYSZQDOUNFS-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)CCN(C)C[C@H]1CCC[NH2+]C1 42457830 490015138 /nfs/dbraw/zinc/01/51/38/490015138.db2.gz ADXLYSZQDOUNFS-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO C[C@@H]1CCC[C@H]([N@H+](C)CCCN)C1 42491945 490015146 /nfs/dbraw/zinc/01/51/46/490015146.db2.gz JNGJOSVQLUBAOW-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO C[C@@H]1CCC[C@H]([N@@H+](C)CCCN)C1 42491945 490015147 /nfs/dbraw/zinc/01/51/47/490015147.db2.gz JNGJOSVQLUBAOW-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CC1CCC([N@H+](C)CCCN)CC1 42472679 490015170 /nfs/dbraw/zinc/01/51/70/490015170.db2.gz GSGQCDQTSXIVMN-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO CC1CCC([N@@H+](C)CCCN)CC1 42472679 490015172 /nfs/dbraw/zinc/01/51/72/490015172.db2.gz GSGQCDQTSXIVMN-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO C[NH2+]CCCN(C)CCC(C)C 42457712 490015209 /nfs/dbraw/zinc/01/52/09/490015209.db2.gz MFNLFTRFEBXXKB-UHFFFAOYSA-N 1 3 172.316 1.574 20 0 ADADHO CNCCC[N@H+](C)CCC(C)C 42457712 490015211 /nfs/dbraw/zinc/01/52/11/490015211.db2.gz MFNLFTRFEBXXKB-UHFFFAOYSA-N 1 3 172.316 1.574 20 0 ADADHO CNCCC[N@@H+](C)CCC(C)C 42457712 490015213 /nfs/dbraw/zinc/01/52/13/490015213.db2.gz MFNLFTRFEBXXKB-UHFFFAOYSA-N 1 3 172.316 1.574 20 0 ADADHO CC(C)CC[N@H+](C)C[C@@H]1CCCNC1 42457827 490015274 /nfs/dbraw/zinc/01/52/74/490015274.db2.gz ADXLYSZQDOUNFS-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)CC[N@@H+](C)C[C@@H]1CCCNC1 42457827 490015277 /nfs/dbraw/zinc/01/52/77/490015277.db2.gz ADXLYSZQDOUNFS-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)CCN(C)C[C@@H]1CCC[NH2+]C1 42457827 490015279 /nfs/dbraw/zinc/01/52/79/490015279.db2.gz ADXLYSZQDOUNFS-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO C[C@H]1CCC[C@@H]([N@H+](C)CCCN)C1 42491948 490015289 /nfs/dbraw/zinc/01/52/89/490015289.db2.gz JNGJOSVQLUBAOW-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO C[C@H]1CCC[C@@H]([N@@H+](C)CCCN)C1 42491948 490015291 /nfs/dbraw/zinc/01/52/91/490015291.db2.gz JNGJOSVQLUBAOW-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO C[C@@H]1CCC[C@@H]([N@H+](C)CCCN)C1 42491947 490015307 /nfs/dbraw/zinc/01/53/07/490015307.db2.gz JNGJOSVQLUBAOW-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO C[C@@H]1CCC[C@@H]([N@@H+](C)CCCN)C1 42491947 490015310 /nfs/dbraw/zinc/01/53/10/490015310.db2.gz JNGJOSVQLUBAOW-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CCC[N@H+](CCCNC)CC1CC1 42491036 490015317 /nfs/dbraw/zinc/01/53/17/490015317.db2.gz YPFSWHQHNQZMNO-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CCC[N@@H+](CCCNC)CC1CC1 42491036 490015318 /nfs/dbraw/zinc/01/53/18/490015318.db2.gz YPFSWHQHNQZMNO-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO C[C@H]1CCC[C@H]([N@H+](C)CCCN)C1 42491946 490015417 /nfs/dbraw/zinc/01/54/17/490015417.db2.gz JNGJOSVQLUBAOW-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO C[C@H]1CCC[C@H]([N@@H+](C)CCCN)C1 42491946 490015421 /nfs/dbraw/zinc/01/54/21/490015421.db2.gz JNGJOSVQLUBAOW-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO C[NH2+]CCCN1CC[C@@H](C)C[C@H]1C 51746347 490015848 /nfs/dbraw/zinc/01/58/48/490015848.db2.gz QREPPRMOFIKOCP-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@@H+]1CC[C@@H](C)C[C@H]1C 51746347 490015851 /nfs/dbraw/zinc/01/58/51/490015851.db2.gz QREPPRMOFIKOCP-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@H+]1CC[C@@H](C)C[C@H]1C 51746347 490015852 /nfs/dbraw/zinc/01/58/52/490015852.db2.gz QREPPRMOFIKOCP-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CC(C)C[C@H]1CCC[N@@H+]1CCCN 75576755 490022651 /nfs/dbraw/zinc/02/26/51/490022651.db2.gz BUVRAGYMIYSQPX-LLVKDONJSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)C[C@H]1CCC[N@H+]1CCCN 75576755 490022654 /nfs/dbraw/zinc/02/26/54/490022654.db2.gz BUVRAGYMIYSQPX-LLVKDONJSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)C[C@@H]1CCC[N@@H+]1CCCN 75576754 490022707 /nfs/dbraw/zinc/02/27/07/490022707.db2.gz BUVRAGYMIYSQPX-NSHDSACASA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)C[C@@H]1CCC[N@H+]1CCCN 75576754 490022710 /nfs/dbraw/zinc/02/27/10/490022710.db2.gz BUVRAGYMIYSQPX-NSHDSACASA-N 1 3 184.327 1.846 20 0 ADADHO Cc1ccsc1CNC[C@@H](C)C[NH3+] 87309897 490025583 /nfs/dbraw/zinc/02/55/83/490025583.db2.gz RITISAUVHQPRJY-QMMMGPOBSA-N 1 3 198.335 1.741 20 0 ADADHO Cc1ccsc1C[NH2+]CC(C)(C)N 87309957 490025615 /nfs/dbraw/zinc/02/56/15/490025615.db2.gz PLSGPHTTWHAXKD-UHFFFAOYSA-N 1 3 198.335 1.883 20 0 ADADHO Cc1ccsc1CNC[C@H](C)C[NH3+] 87309898 490025671 /nfs/dbraw/zinc/02/56/71/490025671.db2.gz RITISAUVHQPRJY-MRVPVSSYSA-N 1 3 198.335 1.741 20 0 ADADHO CC[C@@H](N)C[NH2+]Cc1sccc1C 87309891 490025680 /nfs/dbraw/zinc/02/56/80/490025680.db2.gz ITGZNSWZCBZQTN-SECBINFHSA-N 1 3 198.335 1.883 20 0 ADADHO CC[C@H](N)C[NH2+]Cc1sccc1C 87309890 490025728 /nfs/dbraw/zinc/02/57/28/490025728.db2.gz ITGZNSWZCBZQTN-VIFPVBQESA-N 1 3 198.335 1.883 20 0 ADADHO CC1CC(NCC2([NH3+])CCCC2)C1 123579947 490028233 /nfs/dbraw/zinc/02/82/33/490028233.db2.gz CNOFEKPIWGPVSN-UHFFFAOYSA-N 1 3 182.311 1.646 20 0 ADADHO CC1CC(NC[C@@H]([NH3+])C(C)C)C1 123570001 490028221 /nfs/dbraw/zinc/02/82/21/490028221.db2.gz YEWVLHWVERKIGT-UDNWOFFPSA-N 1 3 170.300 1.358 20 0 ADADHO CC[C@@H]([NH3+])CNC1CC(C)C1 123585482 490028351 /nfs/dbraw/zinc/02/83/51/490028351.db2.gz WLQNHYSSFDPCPQ-QJAFJHJLSA-N 1 3 156.273 1.112 20 0 ADADHO CCC([NH3+])(CC)CNC1CC(C)C1 123576519 490028449 /nfs/dbraw/zinc/02/84/49/490028449.db2.gz SDWRCFUFKHXZRI-UHFFFAOYSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@H]([NH3+])CNC1CC(C)C1 123585250 490028601 /nfs/dbraw/zinc/02/86/01/490028601.db2.gz WLQNHYSSFDPCPQ-MGURRDGZSA-N 1 3 156.273 1.112 20 0 ADADHO CC1CC(NC[C@H]([NH3+])C(C)C)C1 123569771 490028687 /nfs/dbraw/zinc/02/86/87/490028687.db2.gz YEWVLHWVERKIGT-RTBKNWGFSA-N 1 3 170.300 1.358 20 0 ADADHO CC1CC([NH2+]CCCNC2CC2)C1 123607946 490028788 /nfs/dbraw/zinc/02/87/88/490028788.db2.gz XQBWEBQJIPMBKQ-UHFFFAOYSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]([NH2+][C@H]1CCCNCC1)C1CCC1 123970436 490029086 /nfs/dbraw/zinc/02/90/86/490029086.db2.gz ACHXTENKLIIUHO-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+]C[C@H]1CCCNC1)C1CCC1 123999640 490029176 /nfs/dbraw/zinc/02/91/76/490029176.db2.gz APOGBORQLRGFHW-QWRGUYRKSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CCC1 123999421 490029235 /nfs/dbraw/zinc/02/92/35/490029235.db2.gz APOGBORQLRGFHW-GHMZBOCLSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCC1 123970231 490029278 /nfs/dbraw/zinc/02/92/78/490029278.db2.gz ACHXTENKLIIUHO-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+]C[C@H]1CCCNC1)C1CCC1 123999791 490029311 /nfs/dbraw/zinc/02/93/11/490029311.db2.gz APOGBORQLRGFHW-MNOVXSKESA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCCNCC1)C1CCC1 123969945 490029411 /nfs/dbraw/zinc/02/94/11/490029411.db2.gz ACHXTENKLIIUHO-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCCNCC1)C1CCC1 123970673 490029432 /nfs/dbraw/zinc/02/94/32/490029432.db2.gz ACHXTENKLIIUHO-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)C1CCC1 123999186 490029586 /nfs/dbraw/zinc/02/95/86/490029586.db2.gz APOGBORQLRGFHW-WDEREUQCSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]([NH3+])CN1C[C@H]2CCC[C@@H]2C1 126159458 490035760 /nfs/dbraw/zinc/03/57/60/490035760.db2.gz NPADXJMQKICCOX-IVZWLZJFSA-N 1 3 168.284 1.066 20 0 ADADHO CCCC(C)(C)[NH2+]CCCN 126055211 490035810 /nfs/dbraw/zinc/03/58/10/490035810.db2.gz KOOMJCPVLXJJGV-UHFFFAOYSA-N 1 3 158.289 1.504 20 0 ADADHO C[C@H]([NH3+])CN1C[C@H]2CCC[C@H]2C1 126159031 490036195 /nfs/dbraw/zinc/03/61/95/490036195.db2.gz NPADXJMQKICCOX-LPEHRKFASA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]([NH3+])CN1C[C@H]2CCC[C@H]2C1 126159217 490036452 /nfs/dbraw/zinc/03/64/52/490036452.db2.gz NPADXJMQKICCOX-BBBLOLIVSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 128548095 490044988 /nfs/dbraw/zinc/04/49/88/490044988.db2.gz AMANJTILYPSCNE-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 128534196 490045327 /nfs/dbraw/zinc/04/53/27/490045327.db2.gz HPZNYEXMFPBCKI-WISYIIOYSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNCC2)C1 128547660 490045404 /nfs/dbraw/zinc/04/54/04/490045404.db2.gz AMANJTILYPSCNE-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO CC[NH2+]CCN[C@@H]1CC[C@@H](C)C1 129364168 490050010 /nfs/dbraw/zinc/05/00/10/490050010.db2.gz AEXGUWPXHMASTF-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2)C1 129379495 490050127 /nfs/dbraw/zinc/05/01/27/490050127.db2.gz JTYKKAQNJIEGGU-VWYCJHECSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN2)C1 129379943 490050272 /nfs/dbraw/zinc/05/02/72/490050272.db2.gz JTYKKAQNJIEGGU-MXWKQRLJSA-N 1 3 182.311 1.517 20 0 ADADHO CC[NH2+]CCN[C@H]1CC[C@H](C)C1 129364002 490050332 /nfs/dbraw/zinc/05/03/32/490050332.db2.gz AEXGUWPXHMASTF-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO CC[NH2+]CCN[C@H]1CC[C@@H](C)C1 129364384 490050348 /nfs/dbraw/zinc/05/03/48/490050348.db2.gz AEXGUWPXHMASTF-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO CC[NH2+]CCN[C@@H]1CC[C@H](C)C1 129363788 490050412 /nfs/dbraw/zinc/05/04/12/490050412.db2.gz AEXGUWPXHMASTF-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[NH2+][C@@H]1CC[C@@H](C)C1 129399133 490050779 /nfs/dbraw/zinc/05/07/79/490050779.db2.gz ATMVSPOBLCTUPM-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+]CCCNC2CC2)C1 129485769 490050862 /nfs/dbraw/zinc/05/08/62/490050862.db2.gz XTEPUCCTGGSGQW-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO CNCCC[NH2+][C@@H]1CC[C@H](C)C1 129399314 490050902 /nfs/dbraw/zinc/05/09/02/490050902.db2.gz ATMVSPOBLCTUPM-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@@H]1CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 129482735 490050968 /nfs/dbraw/zinc/05/09/68/490050968.db2.gz GATMLGPONHLTAE-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+]CCCNC2CC2)C1 129486167 490051019 /nfs/dbraw/zinc/05/10/19/490051019.db2.gz XTEPUCCTGGSGQW-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO CNCCC[NH2+][C@H]1CC[C@H](C)C1 129398958 490051079 /nfs/dbraw/zinc/05/10/79/490051079.db2.gz ATMVSPOBLCTUPM-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@H]1CC[C@H]([NH2+]CCCNC2CC2)C1 129486003 490051118 /nfs/dbraw/zinc/05/11/18/490051118.db2.gz XTEPUCCTGGSGQW-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 129482266 490051168 /nfs/dbraw/zinc/05/11/68/490051168.db2.gz GATMLGPONHLTAE-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO CNCCC[NH2+][C@H]1CC[C@@H](C)C1 129398755 490051218 /nfs/dbraw/zinc/05/12/18/490051218.db2.gz ATMVSPOBLCTUPM-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[NH2+][C@@H]1CCC(C)(C)C1 129535133 490051836 /nfs/dbraw/zinc/05/18/36/490051836.db2.gz OBXAMHXLNGTILC-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@H]1CCC(C)(C)C1 129513652 490052105 /nfs/dbraw/zinc/05/21/05/490052105.db2.gz PGJAXYMLLCVWIO-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@@H]1CCC(C)(C)C1 129505467 490052118 /nfs/dbraw/zinc/05/21/18/490052118.db2.gz FWIGRHSYWLUUGD-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CCC(C)(C)C1 129561418 490052163 /nfs/dbraw/zinc/05/21/63/490052163.db2.gz CBKSOWJIFXSWGY-NXEZZACHSA-N 1 3 184.327 1.750 20 0 ADADHO CNCCC[NH2+][C@H]1CCC(C)(C)C1 129534948 490052215 /nfs/dbraw/zinc/05/22/15/490052215.db2.gz OBXAMHXLNGTILC-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CCC(C)(C)C1 129561851 490052234 /nfs/dbraw/zinc/05/22/34/490052234.db2.gz CBKSOWJIFXSWGY-ZJUUUORDSA-N 1 3 184.327 1.750 20 0 ADADHO C[NH2+]CCN[C@H]1CCC(C)(C)C1 129505261 490052275 /nfs/dbraw/zinc/05/22/75/490052275.db2.gz FWIGRHSYWLUUGD-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO C[C@H]1CC[C@@H]([NH2+]CCCNC2CC2)C1 129486388 490052353 /nfs/dbraw/zinc/05/23/53/490052353.db2.gz XTEPUCCTGGSGQW-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO CC[NH2+]CCN[C@@H]1CCC(C)(C)C1 129513422 490052431 /nfs/dbraw/zinc/05/24/31/490052431.db2.gz PGJAXYMLLCVWIO-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H]1CCC(C)(C)C1 129561629 490052446 /nfs/dbraw/zinc/05/24/46/490052446.db2.gz CBKSOWJIFXSWGY-UWVGGRQHSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H]1CCC(C)(C)C1 129561220 490052530 /nfs/dbraw/zinc/05/25/30/490052530.db2.gz CBKSOWJIFXSWGY-VHSXEESVSA-N 1 3 184.327 1.750 20 0 ADADHO CC(C)(C)CC[NH2+]C1CCNCC1 129973196 490054153 /nfs/dbraw/zinc/05/41/53/490054153.db2.gz JSUJPTFJCREWLH-UHFFFAOYSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)(C)CCN[C@@H]1CCC[NH2+]C1 129966400 490054183 /nfs/dbraw/zinc/05/41/83/490054183.db2.gz UCEBNFIQAUESDT-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)(C)CCN[C@H]1CCC[NH2+]C1 129966619 490054407 /nfs/dbraw/zinc/05/44/07/490054407.db2.gz UCEBNFIQAUESDT-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)CCN1CCC(C)([NH3+])CC1 219133651 490071724 /nfs/dbraw/zinc/07/17/24/490071724.db2.gz IQZUBSLHDVAKFS-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 220397268 490074722 /nfs/dbraw/zinc/07/47/22/490074722.db2.gz VIXVXXWBGFKQJL-GRYCIOLGSA-N 1 3 196.338 1.716 20 0 ADADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 220397268 490074725 /nfs/dbraw/zinc/07/47/25/490074725.db2.gz VIXVXXWBGFKQJL-GRYCIOLGSA-N 1 3 196.338 1.716 20 0 ADADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 220397330 490075097 /nfs/dbraw/zinc/07/50/97/490075097.db2.gz VIXVXXWBGFKQJL-SDDRHHMPSA-N 1 3 196.338 1.716 20 0 ADADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 220397330 490075102 /nfs/dbraw/zinc/07/51/02/490075102.db2.gz VIXVXXWBGFKQJL-SDDRHHMPSA-N 1 3 196.338 1.716 20 0 ADADHO CC[N@H+](CCN)CCc1cccs1 231360790 490085405 /nfs/dbraw/zinc/08/54/05/490085405.db2.gz NUMPVOVDGKZLRE-UHFFFAOYSA-N 1 3 198.335 1.571 20 0 ADADHO CC[N@@H+](CCN)CCc1cccs1 231360790 490085410 /nfs/dbraw/zinc/08/54/10/490085410.db2.gz NUMPVOVDGKZLRE-UHFFFAOYSA-N 1 3 198.335 1.571 20 0 ADADHO C[C@H]1CCC[N@@H+]1C[C@@H](N)CC(F)F 388900225 698002491 /nfs/dbraw/zinc/00/24/91/698002491.db2.gz NGOBTBSYFOXXSE-YUMQZZPRSA-N 1 3 192.253 1.453 20 0 ADADHO C[C@H]1CCC[N@H+]1C[C@@H](N)CC(F)F 388900225 698002493 /nfs/dbraw/zinc/00/24/93/698002493.db2.gz NGOBTBSYFOXXSE-YUMQZZPRSA-N 1 3 192.253 1.453 20 0 ADADHO C[C@H]1CCC[N@@H+]1C[C@H](N)CC(F)F 388900219 698002503 /nfs/dbraw/zinc/00/25/03/698002503.db2.gz NGOBTBSYFOXXSE-JGVFFNPUSA-N 1 3 192.253 1.453 20 0 ADADHO C[C@H]1CCC[N@H+]1C[C@H](N)CC(F)F 388900219 698002504 /nfs/dbraw/zinc/00/25/04/698002504.db2.gz NGOBTBSYFOXXSE-JGVFFNPUSA-N 1 3 192.253 1.453 20 0 ADADHO CCC[N@H+](CCCN)CC1CC1 21950199 491021036 /nfs/dbraw/zinc/02/10/36/491021036.db2.gz MMPRTTBIQSJQJY-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CCC[N@@H+](CCCN)CC1CC1 21950199 491021037 /nfs/dbraw/zinc/02/10/37/491021037.db2.gz MMPRTTBIQSJQJY-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CCC1CCN(CCC[NH2+]C)CC1 42447293 491021223 /nfs/dbraw/zinc/02/12/23/491021223.db2.gz WVJKNRAHRZJDLT-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CCC1CC[NH+](CCCNC)CC1 42447293 491021224 /nfs/dbraw/zinc/02/12/24/491021224.db2.gz WVJKNRAHRZJDLT-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO C[N@H+](CCCN)CC1CCC1 61454893 491021293 /nfs/dbraw/zinc/02/12/93/491021293.db2.gz AROZQUYNKKOBDS-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO C[N@@H+](CCCN)CC1CCC1 61454893 491021294 /nfs/dbraw/zinc/02/12/94/491021294.db2.gz AROZQUYNKKOBDS-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO CN(CCC[NH3+])CC1CCC1 61454893 491021295 /nfs/dbraw/zinc/02/12/95/491021295.db2.gz AROZQUYNKKOBDS-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO CCCCC[C@H]1CCCN1CC[NH3+] 82291807 491021919 /nfs/dbraw/zinc/02/19/19/491021919.db2.gz AMNJHIYYEOODGW-NSHDSACASA-N 1 3 184.327 1.990 20 0 ADADHO CCCCC[C@@H]1CCCN1CC[NH3+] 82291805 491021952 /nfs/dbraw/zinc/02/19/52/491021952.db2.gz AMNJHIYYEOODGW-LLVKDONJSA-N 1 3 184.327 1.990 20 0 ADADHO Cc1cc(NCCN(C)C)cc[nH+]1 84952379 491026728 /nfs/dbraw/zinc/02/67/28/491026728.db2.gz UVFDAOQBROEZKB-UHFFFAOYSA-N 1 3 179.267 1.364 20 0 ADADHO CC[C@H](C)CN1C[C@H]2C[NH2+]C[C@@H]2C1 85282025 491027561 /nfs/dbraw/zinc/02/75/61/491027561.db2.gz WNSMBAWUZBSKIA-HBNTYKKESA-N 1 3 182.311 1.184 20 0 ADADHO CCC1(CC)CC[N@H+](CCCN)C1 87232858 491029999 /nfs/dbraw/zinc/02/99/99/491029999.db2.gz FCCHUKFURSAAJJ-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO CCC1(CC)CC[N@@H+](CCCN)C1 87232858 491030000 /nfs/dbraw/zinc/03/00/00/491030000.db2.gz FCCHUKFURSAAJJ-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO CC1(C)CCN(C[C@H]2CC[NH2+]C2)C1 87254606 491030078 /nfs/dbraw/zinc/03/00/78/491030078.db2.gz YKSDEGVYQDTAFD-JTQLQIEISA-N 1 3 182.311 1.328 20 0 ADADHO C[NH2+]CCCN1CCC(C)(C)C1 87252155 491030115 /nfs/dbraw/zinc/03/01/15/491030115.db2.gz JASYRUMYZGCRRM-UHFFFAOYSA-N 1 3 170.300 1.328 20 0 ADADHO CC1(C)CCN(C[C@@H]2CC[NH2+]C2)C1 87254604 491030199 /nfs/dbraw/zinc/03/01/99/491030199.db2.gz YKSDEGVYQDTAFD-SNVBAGLBSA-N 1 3 182.311 1.328 20 0 ADADHO CCC(CC)C[NH2+]C1CCNCC1 130242578 491033473 /nfs/dbraw/zinc/03/34/73/491033473.db2.gz FYAZXOKETJCIHI-UHFFFAOYSA-N 1 3 184.327 1.764 20 0 ADADHO CCC(CC)C[NH2+]C[C@H]1CCCN1 130439727 491033646 /nfs/dbraw/zinc/03/36/46/491033646.db2.gz JJEITFRZGJGFCI-LLVKDONJSA-N 1 3 184.327 1.764 20 0 ADADHO CCC(CC)C[NH2+]C[C@@H]1CCCN1 130439525 491033662 /nfs/dbraw/zinc/03/36/62/491033662.db2.gz JJEITFRZGJGFCI-NSHDSACASA-N 1 3 184.327 1.764 20 0 ADADHO CCC(CC)C[NH2+]C[C@H](C)CN 130441915 491033685 /nfs/dbraw/zinc/03/36/85/491033685.db2.gz OVYAJAAMPWKRHK-SECBINFHSA-N 1 3 172.316 1.607 20 0 ADADHO CCC(CC)C[NH2+]C[C@@H](C)CN 130441668 491033772 /nfs/dbraw/zinc/03/37/72/491033772.db2.gz OVYAJAAMPWKRHK-VIFPVBQESA-N 1 3 172.316 1.607 20 0 ADADHO CC[C@H]1CN(CCC[NH3+])CCS1 132946973 491037091 /nfs/dbraw/zinc/03/70/91/491037091.db2.gz WYRAFLFWNGYHMT-VIFPVBQESA-N 1 3 188.340 1.163 20 0 ADADHO CC[C@@H]1CN(CCC[NH3+])CCS1 132946779 491037104 /nfs/dbraw/zinc/03/71/04/491037104.db2.gz WYRAFLFWNGYHMT-SECBINFHSA-N 1 3 188.340 1.163 20 0 ADADHO CC[C@H]1C[N@H+](CC2CCC2)CC[C@@H]1N 157895564 491039844 /nfs/dbraw/zinc/03/98/44/491039844.db2.gz OSTYIDDEJUWLPX-RYUDHWBXSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@H]1C[N@@H+](CC2CCC2)CC[C@@H]1N 157895564 491039845 /nfs/dbraw/zinc/03/98/45/491039845.db2.gz OSTYIDDEJUWLPX-RYUDHWBXSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@H]1CN(CC2CCC2)CC[C@@H]1[NH3+] 157895564 491039846 /nfs/dbraw/zinc/03/98/46/491039846.db2.gz OSTYIDDEJUWLPX-RYUDHWBXSA-N 1 3 196.338 1.846 20 0 ADADHO CCC[N@@H+]1CC[C@@H](N)[C@H](CC)C1 157896184 491039849 /nfs/dbraw/zinc/03/98/49/491039849.db2.gz WVWDQIGKUMKKJG-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@H+]1CC[C@@H](N)[C@H](CC)C1 157896184 491039850 /nfs/dbraw/zinc/03/98/50/491039850.db2.gz WVWDQIGKUMKKJG-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCN1CC[C@@H]([NH3+])[C@H](CC)C1 157896184 491039851 /nfs/dbraw/zinc/03/98/51/491039851.db2.gz WVWDQIGKUMKKJG-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@@H+]1CC[C@H](N)[C@H](CC)C1 157896049 491039854 /nfs/dbraw/zinc/03/98/54/491039854.db2.gz WVWDQIGKUMKKJG-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@H+]1CC[C@H](N)[C@H](CC)C1 157896049 491039855 /nfs/dbraw/zinc/03/98/55/491039855.db2.gz WVWDQIGKUMKKJG-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CCCN1CC[C@H]([NH3+])[C@H](CC)C1 157896049 491039856 /nfs/dbraw/zinc/03/98/56/491039856.db2.gz WVWDQIGKUMKKJG-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CC1(C[NH2+]CCCN2CCCC2)CC1 226373072 491042758 /nfs/dbraw/zinc/04/27/58/491042758.db2.gz GYZNJWCIHSSAKR-UHFFFAOYSA-N 1 3 196.338 1.862 20 0 ADADHO C[N@@H+]1CCCC[C@H]1CCN1CCCC1 306379882 491049723 /nfs/dbraw/zinc/04/97/23/491049723.db2.gz UUHGWPMDKYOPEH-LBPRGKRZSA-N 1 3 196.338 1.957 20 0 ADADHO C[N@H+]1CCCC[C@H]1CCN1CCCC1 306379882 491049724 /nfs/dbraw/zinc/04/97/24/491049724.db2.gz UUHGWPMDKYOPEH-LBPRGKRZSA-N 1 3 196.338 1.957 20 0 ADADHO C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 306379879 491049738 /nfs/dbraw/zinc/04/97/38/491049738.db2.gz UUHGWPMDKYOPEH-GFCCVEGCSA-N 1 3 196.338 1.957 20 0 ADADHO C[N@H+]1CCCC[C@@H]1CCN1CCCC1 306379879 491049739 /nfs/dbraw/zinc/04/97/39/491049739.db2.gz UUHGWPMDKYOPEH-GFCCVEGCSA-N 1 3 196.338 1.957 20 0 ADADHO C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 306556749 491053203 /nfs/dbraw/zinc/05/32/03/491053203.db2.gz LYTLGLSPXWKSSS-NOOOWODRSA-N 1 3 194.322 1.326 20 0 ADADHO C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 306556749 491053204 /nfs/dbraw/zinc/05/32/04/491053204.db2.gz LYTLGLSPXWKSSS-NOOOWODRSA-N 1 3 194.322 1.326 20 0 ADADHO C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 306556746 491053212 /nfs/dbraw/zinc/05/32/12/491053212.db2.gz LYTLGLSPXWKSSS-FIQHERPVSA-N 1 3 194.322 1.326 20 0 ADADHO C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 306556746 491053213 /nfs/dbraw/zinc/05/32/13/491053213.db2.gz LYTLGLSPXWKSSS-FIQHERPVSA-N 1 3 194.322 1.326 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 306556751 491053219 /nfs/dbraw/zinc/05/32/19/491053219.db2.gz LYTLGLSPXWKSSS-WRWGMCAJSA-N 1 3 194.322 1.326 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 306556751 491053220 /nfs/dbraw/zinc/05/32/20/491053220.db2.gz LYTLGLSPXWKSSS-WRWGMCAJSA-N 1 3 194.322 1.326 20 0 ADADHO C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 306556747 491053247 /nfs/dbraw/zinc/05/32/47/491053247.db2.gz LYTLGLSPXWKSSS-NNYUYHANSA-N 1 3 194.322 1.326 20 0 ADADHO C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 306556747 491053248 /nfs/dbraw/zinc/05/32/48/491053248.db2.gz LYTLGLSPXWKSSS-NNYUYHANSA-N 1 3 194.322 1.326 20 0 ADADHO C[C@H]1CCN(CCC[NH3+])CCS1 307345127 491060970 /nfs/dbraw/zinc/06/09/70/491060970.db2.gz AEOAULCNEDCZQS-VIFPVBQESA-N 1 3 188.340 1.163 20 0 ADADHO C[C@@H]1CCN(CCC[NH3+])CCS1 307345125 491061057 /nfs/dbraw/zinc/06/10/57/491061057.db2.gz AEOAULCNEDCZQS-SECBINFHSA-N 1 3 188.340 1.163 20 0 ADADHO CCN1CC[C@H]([NH2+]CCF)[C@H](C)C1 308248603 491087991 /nfs/dbraw/zinc/08/79/91/491087991.db2.gz ZROPVZQJJWOLJB-ZJUUUORDSA-N 1 3 188.290 1.276 20 0 ADADHO CCN1CC[C@@H]([NH2+]CCF)[C@@H](C)C1 308248602 491088012 /nfs/dbraw/zinc/08/80/12/491088012.db2.gz ZROPVZQJJWOLJB-VHSXEESVSA-N 1 3 188.290 1.276 20 0 ADADHO CCN1CC[C@H]([NH2+]CCF)[C@@H](C)C1 308248601 491088026 /nfs/dbraw/zinc/08/80/26/491088026.db2.gz ZROPVZQJJWOLJB-UWVGGRQHSA-N 1 3 188.290 1.276 20 0 ADADHO CCN1CC[C@@H]([NH2+]CCF)[C@H](C)C1 308248600 491088161 /nfs/dbraw/zinc/08/81/61/491088161.db2.gz ZROPVZQJJWOLJB-NXEZZACHSA-N 1 3 188.290 1.276 20 0 ADADHO CN1CC=C(C[NH2+]CC2CC2)CC1 308368584 491099155 /nfs/dbraw/zinc/09/91/55/491099155.db2.gz PETJAMDVFCBIMN-UHFFFAOYSA-N 1 3 180.295 1.248 20 0 ADADHO CN1CC=C(C[NH2+]CC2(C)CC2)CC1 308509886 491109406 /nfs/dbraw/zinc/10/94/06/491109406.db2.gz KKGPJCXRHSROQP-UHFFFAOYSA-N 1 3 194.322 1.638 20 0 ADADHO CC(C)[C@@H](C)[NH2+]CC1=CCN(C)CC1 308527046 491110377 /nfs/dbraw/zinc/11/03/77/491110377.db2.gz QWAHRIJBWBTYLB-LLVKDONJSA-N 1 3 196.338 1.882 20 0 ADADHO CC(C)[C@H](C)[NH2+]CC1=CCN(C)CC1 308527048 491110412 /nfs/dbraw/zinc/11/04/12/491110412.db2.gz QWAHRIJBWBTYLB-NSHDSACASA-N 1 3 196.338 1.882 20 0 ADADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C1CC1 308668441 491116903 /nfs/dbraw/zinc/11/69/03/491116903.db2.gz UKDOYSOXXZKJKI-JTQLQIEISA-N 1 3 194.322 1.636 20 0 ADADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C1CC1 308668444 491116981 /nfs/dbraw/zinc/11/69/81/491116981.db2.gz UKDOYSOXXZKJKI-SNVBAGLBSA-N 1 3 194.322 1.636 20 0 ADADHO CC[C@@H](C)[C@H](C)[N@H+](C)CCCN 227742231 1188788529 /nfs/dbraw/zinc/78/85/29/1188788529.db2.gz NDYKKDVZTWMCDV-ZJUUUORDSA-N 1 3 172.316 1.702 20 0 ADADHO CC[C@@H](C)[C@H](C)[N@@H+](C)CCCN 227742231 1188788532 /nfs/dbraw/zinc/78/85/32/1188788532.db2.gz NDYKKDVZTWMCDV-ZJUUUORDSA-N 1 3 172.316 1.702 20 0 ADADHO CC[C@@H](C)[C@@H](C)[N@H+](C)CCCN 227742214 1188788682 /nfs/dbraw/zinc/78/86/82/1188788682.db2.gz NDYKKDVZTWMCDV-NXEZZACHSA-N 1 3 172.316 1.702 20 0 ADADHO CC[C@@H](C)[C@@H](C)[N@@H+](C)CCCN 227742214 1188788686 /nfs/dbraw/zinc/78/86/86/1188788686.db2.gz NDYKKDVZTWMCDV-NXEZZACHSA-N 1 3 172.316 1.702 20 0 ADADHO CC[C@H](C)[C@@H](C)[N@H+](C)CCCN 227742224 1188788783 /nfs/dbraw/zinc/78/87/83/1188788783.db2.gz NDYKKDVZTWMCDV-VHSXEESVSA-N 1 3 172.316 1.702 20 0 ADADHO CC[C@H](C)[C@@H](C)[N@@H+](C)CCCN 227742224 1188788787 /nfs/dbraw/zinc/78/87/87/1188788787.db2.gz NDYKKDVZTWMCDV-VHSXEESVSA-N 1 3 172.316 1.702 20 0 ADADHO CC[C@H](C)[C@H](C)[N@H+](C)CCCN 227742237 1188789486 /nfs/dbraw/zinc/78/94/86/1188789486.db2.gz NDYKKDVZTWMCDV-UWVGGRQHSA-N 1 3 172.316 1.702 20 0 ADADHO CC[C@H](C)[C@H](C)[N@@H+](C)CCCN 227742237 1188789490 /nfs/dbraw/zinc/78/94/90/1188789490.db2.gz NDYKKDVZTWMCDV-UWVGGRQHSA-N 1 3 172.316 1.702 20 0 ADADHO NCC1(C[NH2+]CCC2CCC2)CCC1 229120235 1188790671 /nfs/dbraw/zinc/79/06/71/1188790671.db2.gz JLHSSHOZMALXAU-UHFFFAOYSA-N 1 3 196.338 1.895 20 0 ADADHO CCCCCC[N@@H+]1CCC[C@H](N)C1 31993114 697618955 /nfs/dbraw/zinc/61/89/55/697618955.db2.gz OHEZQHABRLIFLX-NSHDSACASA-N 1 3 184.327 1.990 20 0 ADADHO CCCCCC[N@H+]1CCC[C@H](N)C1 31993114 697618958 /nfs/dbraw/zinc/61/89/58/697618958.db2.gz OHEZQHABRLIFLX-NSHDSACASA-N 1 3 184.327 1.990 20 0 ADADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](CN)C1 44527992 697620884 /nfs/dbraw/zinc/62/08/84/697620884.db2.gz DCOXNOKFFRPUOR-GHMZBOCLSA-N 1 3 184.327 1.703 20 0 ADADHO CC[C@@H](C)C[N@H+]1CCC[C@H](CN)C1 44527992 697620889 /nfs/dbraw/zinc/62/08/89/697620889.db2.gz DCOXNOKFFRPUOR-GHMZBOCLSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)C[N@@H+](C)C[C@@]1(C)CCCNC1 62861946 697624554 /nfs/dbraw/zinc/62/45/54/697624554.db2.gz NHIBSUARGQRCSZ-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)C[N@H+](C)C[C@@]1(C)CCCNC1 62861946 697624552 /nfs/dbraw/zinc/62/45/52/697624552.db2.gz NHIBSUARGQRCSZ-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)C[N@H+](C)C[C@]1(C)CCCNC1 62861945 697624580 /nfs/dbraw/zinc/62/45/80/697624580.db2.gz NHIBSUARGQRCSZ-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)C[N@@H+](C)C[C@]1(C)CCCNC1 62861945 697624583 /nfs/dbraw/zinc/62/45/83/697624583.db2.gz NHIBSUARGQRCSZ-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CCN(CC)C[C@]1(C)CCC[NH2+]C1 62861608 697624605 /nfs/dbraw/zinc/62/46/05/697624605.db2.gz LWEKISVIEWCXBD-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CC[NH+](CC)C[C@]1(C)CCCNC1 62861608 697624607 /nfs/dbraw/zinc/62/46/07/697624607.db2.gz LWEKISVIEWCXBD-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO N[C@H]1CCC[N@H+](CCCC2CC2)C1 157105159 697657380 /nfs/dbraw/zinc/65/73/80/697657380.db2.gz VMBLJSULXPRXTC-NSHDSACASA-N 1 3 182.311 1.600 20 0 ADADHO N[C@H]1CCC[N@@H+](CCCC2CC2)C1 157105159 697657384 /nfs/dbraw/zinc/65/73/84/697657384.db2.gz VMBLJSULXPRXTC-NSHDSACASA-N 1 3 182.311 1.600 20 0 ADADHO C[C@H](C[NH2+]C1CC(N)C1)C(C)(C)C 162772366 697667784 /nfs/dbraw/zinc/66/77/84/697667784.db2.gz OYKCUNAJEDFJDR-XNWIYYODSA-N 1 3 184.327 1.748 20 0 ADADHO CCCC[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 221403815 697686636 /nfs/dbraw/zinc/68/66/36/697686636.db2.gz BSYFIYAECHOEIP-WDEREUQCSA-N 1 3 182.311 1.470 20 0 ADADHO CCCC[N@H+]1C[C@@H]2CCCN[C@@H]2C1 221403815 697686644 /nfs/dbraw/zinc/68/66/44/697686644.db2.gz BSYFIYAECHOEIP-WDEREUQCSA-N 1 3 182.311 1.470 20 0 ADADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC1CCC1 229079013 697700358 /nfs/dbraw/zinc/70/03/58/697700358.db2.gz BFTPYYRVBVRDCK-NEPJUHHUSA-N 1 3 196.338 1.894 20 0 ADADHO NC[C@H]1CCC[C@H]1[NH2+]CCC1CCC1 229079031 697700392 /nfs/dbraw/zinc/70/03/92/697700392.db2.gz BFTPYYRVBVRDCK-VXGBXAGGSA-N 1 3 196.338 1.894 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC1CCC1 229079021 697700401 /nfs/dbraw/zinc/70/04/01/697700401.db2.gz BFTPYYRVBVRDCK-NWDGAFQWSA-N 1 3 196.338 1.894 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC1CCC1 229079001 697700650 /nfs/dbraw/zinc/70/06/50/697700650.db2.gz BFTPYYRVBVRDCK-RYUDHWBXSA-N 1 3 196.338 1.894 20 0 ADADHO NC[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 238568922 697708643 /nfs/dbraw/zinc/70/86/43/697708643.db2.gz LALGZALYJSNWDV-LBPRGKRZSA-N 1 3 194.322 1.623 20 0 ADADHO NC[C@@H]1CCC[N@H+](CC2CC=CC2)C1 238568922 697708638 /nfs/dbraw/zinc/70/86/38/697708638.db2.gz LALGZALYJSNWDV-LBPRGKRZSA-N 1 3 194.322 1.623 20 0 ADADHO NC[C@H]1CCC[N@H+](CC2CC=CC2)C1 238568191 697708726 /nfs/dbraw/zinc/70/87/26/697708726.db2.gz LALGZALYJSNWDV-GFCCVEGCSA-N 1 3 194.322 1.623 20 0 ADADHO NC[C@H]1CCC[N@@H+](CC2CC=CC2)C1 238568191 697708731 /nfs/dbraw/zinc/70/87/31/697708731.db2.gz LALGZALYJSNWDV-GFCCVEGCSA-N 1 3 194.322 1.623 20 0 ADADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CNC1 335461697 697781051 /nfs/dbraw/zinc/78/10/51/697781051.db2.gz KVIRZQNUDMIEEH-MWLCHTKSSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CNC1 335461696 697781155 /nfs/dbraw/zinc/78/11/55/697781155.db2.gz KVIRZQNUDMIEEH-KOLCDFICSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1CNC1 335461695 697781179 /nfs/dbraw/zinc/78/11/79/697781179.db2.gz KVIRZQNUDMIEEH-GXSJLCMTSA-N 1 3 196.338 1.620 20 0 ADADHO COC1(CNC2CC([NH3+])C2)CCCC1 379621006 697906141 /nfs/dbraw/zinc/90/61/41/697906141.db2.gz FIRWNEGRNOBCGS-UHFFFAOYSA-N 1 3 198.310 1.025 20 0 ADADHO CC(C)([NH3+])CCNCC1=CCCOC1 379735458 697910006 /nfs/dbraw/zinc/91/00/06/697910006.db2.gz INYJOLDRXKHXOL-UHFFFAOYSA-N 1 3 198.310 1.050 20 0 ADADHO C[N@H+](CCCNC1CC1)C(C)(C)C 382285333 697921953 /nfs/dbraw/zinc/92/19/53/697921953.db2.gz PAVOVAIIANESQW-UHFFFAOYSA-N 1 3 184.327 1.859 20 0 ADADHO C[N@@H+](CCCNC1CC1)C(C)(C)C 382285333 697921955 /nfs/dbraw/zinc/92/19/55/697921955.db2.gz PAVOVAIIANESQW-UHFFFAOYSA-N 1 3 184.327 1.859 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H](C)CC(C)(C)C 384694109 697930251 /nfs/dbraw/zinc/93/02/51/697930251.db2.gz XOIDBCDLULYUEL-UWVGGRQHSA-N 1 3 186.343 1.996 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H](C)CC(C)(C)C 384694110 697930258 /nfs/dbraw/zinc/93/02/58/697930258.db2.gz XOIDBCDLULYUEL-VHSXEESVSA-N 1 3 186.343 1.996 20 0 ADADHO C[C@H](CN)C[NH2+][C@H](C)CC(C)(C)C 384694108 697930265 /nfs/dbraw/zinc/93/02/65/697930265.db2.gz XOIDBCDLULYUEL-NXEZZACHSA-N 1 3 186.343 1.996 20 0 ADADHO C[C@@H](CC(C)(C)C)[NH2+]C[C@H](C)CN 384694111 697930486 /nfs/dbraw/zinc/93/04/86/697930486.db2.gz XOIDBCDLULYUEL-ZJUUUORDSA-N 1 3 186.343 1.996 20 0 ADADHO C[C@@H]1CCC[N@@H+]1C[C@H](N)CC(F)F 388900216 698002222 /nfs/dbraw/zinc/00/22/22/698002222.db2.gz NGOBTBSYFOXXSE-HTQZYQBOSA-N 1 3 192.253 1.453 20 0 ADADHO C[C@@H]1CCC[N@H+]1C[C@H](N)CC(F)F 388900216 698002228 /nfs/dbraw/zinc/00/22/28/698002228.db2.gz NGOBTBSYFOXXSE-HTQZYQBOSA-N 1 3 192.253 1.453 20 0 ADADHO C[C@@H]1CCC[N@@H+]1C[C@@H](N)CC(F)F 388900222 698002345 /nfs/dbraw/zinc/00/23/45/698002345.db2.gz NGOBTBSYFOXXSE-SFYZADRCSA-N 1 3 192.253 1.453 20 0 ADADHO C[C@@H]1CCC[N@H+]1C[C@@H](N)CC(F)F 388900222 698002349 /nfs/dbraw/zinc/00/23/49/698002349.db2.gz NGOBTBSYFOXXSE-SFYZADRCSA-N 1 3 192.253 1.453 20 0 ADADHO [NH3+]C[C@H]1CCCN1CCCC1CC1 394488215 698030545 /nfs/dbraw/zinc/03/05/45/698030545.db2.gz XLOHMAZVSBYXBE-LLVKDONJSA-N 1 3 182.311 1.600 20 0 ADADHO C[C@]1(CN)CC[N@H+](CCCC2CC2)C1 394448846 698030671 /nfs/dbraw/zinc/03/06/71/698030671.db2.gz GNJYPVHBMAGZEY-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO C[C@]1(CN)CC[N@@H+](CCCC2CC2)C1 394448846 698030674 /nfs/dbraw/zinc/03/06/74/698030674.db2.gz GNJYPVHBMAGZEY-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO C[N@H+](CCCN)CCCC1CC1 394462637 698030687 /nfs/dbraw/zinc/03/06/87/698030687.db2.gz WEVHQLOIRMDAED-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO C[N@@H+](CCCN)CCCC1CC1 394462637 698030690 /nfs/dbraw/zinc/03/06/90/698030690.db2.gz WEVHQLOIRMDAED-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CN(CCC[NH3+])CCCC1CC1 394462637 698030694 /nfs/dbraw/zinc/03/06/94/698030694.db2.gz WEVHQLOIRMDAED-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO C[C@@]1(CN)CC[N@H+](CCCC2CC2)C1 394448847 698030772 /nfs/dbraw/zinc/03/07/72/698030772.db2.gz GNJYPVHBMAGZEY-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO C[C@@]1(CN)CC[N@@H+](CCCC2CC2)C1 394448847 698030777 /nfs/dbraw/zinc/03/07/77/698030777.db2.gz GNJYPVHBMAGZEY-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO C[NH2+]CCCN(C)CCCC1CC1 394483028 698030989 /nfs/dbraw/zinc/03/09/89/698030989.db2.gz UOOBDPSVKQOING-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO NC[C@H]1CCC[N@H+](CCCC2CC2)C1 394529126 698031527 /nfs/dbraw/zinc/03/15/27/698031527.db2.gz PEDZMVQKSMSRAI-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@H]1CCC[N@@H+](CCCC2CC2)C1 394529126 698031530 /nfs/dbraw/zinc/03/15/30/698031530.db2.gz PEDZMVQKSMSRAI-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@@H]1CCC[N@H+](CCCC2CC2)C1 394529127 698031765 /nfs/dbraw/zinc/03/17/65/698031765.db2.gz PEDZMVQKSMSRAI-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@@H]1CCC[N@@H+](CCCC2CC2)C1 394529127 698031772 /nfs/dbraw/zinc/03/17/72/698031772.db2.gz PEDZMVQKSMSRAI-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@H]1CCC[N@H+](CCC2CCC2)C1 398711480 698042147 /nfs/dbraw/zinc/04/21/47/698042147.db2.gz MUMOWUOCBUGEOX-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@H]1CCC[N@@H+](CCC2CCC2)C1 398711480 698042152 /nfs/dbraw/zinc/04/21/52/698042152.db2.gz MUMOWUOCBUGEOX-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@@H]1CCC[N@H+](CCC2CCC2)C1 398711482 698042530 /nfs/dbraw/zinc/04/25/30/698042530.db2.gz MUMOWUOCBUGEOX-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@@H]1CCC[N@@H+](CCC2CCC2)C1 398711482 698042533 /nfs/dbraw/zinc/04/25/33/698042533.db2.gz MUMOWUOCBUGEOX-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO CC[C@@H]1C[C@H]1CN1C[C@@H]([NH3+])C[C@@H]1C 723055461 698072298 /nfs/dbraw/zinc/07/22/98/698072298.db2.gz IEXULBWJNSJIGG-VLEAKVRGSA-N 1 3 182.311 1.454 20 0 ADADHO CC[C@@H]1C[C@H]1CN1C[C@@H]([NH3+])C[C@H]1C 723055462 698072310 /nfs/dbraw/zinc/07/23/10/698072310.db2.gz IEXULBWJNSJIGG-ZNSHCXBVSA-N 1 3 182.311 1.454 20 0 ADADHO CC[C@@H]1C[C@H]1CN1C[C@H]([NH3+])C[C@@H]1C 723055464 698072334 /nfs/dbraw/zinc/07/23/34/698072334.db2.gz IEXULBWJNSJIGG-ZRUFSTJUSA-N 1 3 182.311 1.454 20 0 ADADHO CC[C@@H]1C[C@H]1CN1C[C@H]([NH3+])C[C@H]1C 723055460 698072449 /nfs/dbraw/zinc/07/24/49/698072449.db2.gz IEXULBWJNSJIGG-CHWFTXMASA-N 1 3 182.311 1.454 20 0 ADADHO CNCCC[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 723782142 698074604 /nfs/dbraw/zinc/07/46/04/698074604.db2.gz KIOQQRUFYTXVTA-VXGBXAGGSA-N 1 3 198.354 1.964 20 0 ADADHO CNCCC[N@H+]1CC[C@@H](C)C[C@@H](C)C1 723782142 698074608 /nfs/dbraw/zinc/07/46/08/698074608.db2.gz KIOQQRUFYTXVTA-VXGBXAGGSA-N 1 3 198.354 1.964 20 0 ADADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C=CCC1 854221687 698129383 /nfs/dbraw/zinc/12/93/83/698129383.db2.gz SBMPSJCBJRGZBH-TUAOUCFPSA-N 1 3 194.322 1.955 20 0 ADADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C=CCC1 854221686 698129420 /nfs/dbraw/zinc/12/94/20/698129420.db2.gz SBMPSJCBJRGZBH-QJPTWQEYSA-N 1 3 194.322 1.955 20 0 ADADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1C=CCC1 854221685 698129490 /nfs/dbraw/zinc/12/94/90/698129490.db2.gz SBMPSJCBJRGZBH-IJLUTSLNSA-N 1 3 194.322 1.955 20 0 ADADHO N[C@H]1CCC[C@H]([NH2+]CC2CC=CC2)C1 530219158 325666212 /nfs/dbraw/zinc/66/62/12/325666212.db2.gz ZHKDXEDHYXRPCF-RYUDHWBXSA-N 1 3 194.322 1.812 20 0 ADADHO C[NH+](C)CCCN[C@@H]1CCSC1 19958205 343065326 /nfs/dbraw/zinc/06/53/26/343065326.db2.gz MMQCWNRGQZDUJZ-SECBINFHSA-N 1 3 188.340 1.033 20 0 ADADHO CCC(CC)C[NH+]1CCC(N)CC1 34958703 343126257 /nfs/dbraw/zinc/12/62/57/343126257.db2.gz JHDHBXXGRTXLJW-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO CCC(CC)CN1CCC([NH3+])CC1 34958703 343126258 /nfs/dbraw/zinc/12/62/58/343126258.db2.gz JHDHBXXGRTXLJW-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO CC1CCC(N2CC[C@H]([NH3+])C2)CC1 37242079 343163811 /nfs/dbraw/zinc/16/38/11/343163811.db2.gz HATVPLVUTQKPEI-YVNMAJEFSA-N 1 3 182.311 1.598 20 0 ADADHO CC(C)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 36996983 343157362 /nfs/dbraw/zinc/15/73/62/343157362.db2.gz LKCSAZGEXCJBMU-GHMZBOCLSA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@@H]1CC[N@H+]2CCCC[C@H]12 36996983 343157363 /nfs/dbraw/zinc/15/73/63/343157363.db2.gz LKCSAZGEXCJBMU-GHMZBOCLSA-N 1 3 182.311 1.611 20 0 ADADHO C[N@H+](C[C@@H]1CCCNC1)C1CCCC1 37092906 343159163 /nfs/dbraw/zinc/15/91/63/343159163.db2.gz RPVFVTYGBUCQNC-LLVKDONJSA-N 1 3 196.338 1.860 20 0 ADADHO C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 37092906 343159164 /nfs/dbraw/zinc/15/91/64/343159164.db2.gz RPVFVTYGBUCQNC-LLVKDONJSA-N 1 3 196.338 1.860 20 0 ADADHO CCCN(C)C1CC[NH2+]CC1 37098535 343159654 /nfs/dbraw/zinc/15/96/54/343159654.db2.gz XWFPVKLYWVTYAS-UHFFFAOYSA-N 1 3 156.273 1.080 20 0 ADADHO CC1CCC(N2CC[C@@H]([NH3+])C2)CC1 37242081 343163837 /nfs/dbraw/zinc/16/38/37/343163837.db2.gz HATVPLVUTQKPEI-HSOILSAZSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 38040835 343183446 /nfs/dbraw/zinc/18/34/46/343183446.db2.gz GKQVJFXVWLQPHR-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 38040833 343183455 /nfs/dbraw/zinc/18/34/55/343183455.db2.gz GKQVJFXVWLQPHR-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H](C)[N@@H+]1CCC[C@H](CN)C1 44527959 343267297 /nfs/dbraw/zinc/26/72/97/343267297.db2.gz OAIRRWZBVQCCNI-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@H](C)[N@H+]1CCC[C@H](CN)C1 44527959 343267298 /nfs/dbraw/zinc/26/72/98/343267298.db2.gz OAIRRWZBVQCCNI-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CC1(C)C[C@@H]1[NH2+]C1CCNCC1 45117916 343271328 /nfs/dbraw/zinc/27/13/28/343271328.db2.gz NYCLYUFXTAPHFA-VIFPVBQESA-N 1 3 168.284 1.127 20 0 ADADHO CC1(C)C[C@@H]1NC1CC[NH2+]CC1 45117916 343271329 /nfs/dbraw/zinc/27/13/29/343271329.db2.gz NYCLYUFXTAPHFA-VIFPVBQESA-N 1 3 168.284 1.127 20 0 ADADHO CC[C@H](C)CN1CC[C@H]([NH3+])C1 50228001 343280251 /nfs/dbraw/zinc/28/02/51/343280251.db2.gz MNFIPDFEZQSIKU-IUCAKERBSA-N 1 3 156.273 1.066 20 0 ADADHO CN(CC1CC1)CC(C)(C)C[NH3+] 51249722 343289822 /nfs/dbraw/zinc/28/98/22/343289822.db2.gz XVCPIRMITVUCBV-UHFFFAOYSA-N 1 3 170.300 1.313 20 0 ADADHO CC[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 51889521 343295429 /nfs/dbraw/zinc/29/54/29/343295429.db2.gz DQMDUFARHNIDPY-NWDGAFQWSA-N 1 3 196.338 1.718 20 0 ADADHO CC[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 51889520 343295818 /nfs/dbraw/zinc/29/58/18/343295818.db2.gz DQMDUFARHNIDPY-VXGBXAGGSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@]1(CN2CCCCC2)CCC[NH2+]C1 62861785 343383719 /nfs/dbraw/zinc/38/37/19/343383719.db2.gz YDPNTDYYSRFOSM-GFCCVEGCSA-N 1 3 196.338 1.862 20 0 ADADHO C[C@@]1(C[NH+]2CCCCC2)CCCNC1 62861785 343383720 /nfs/dbraw/zinc/38/37/20/343383720.db2.gz YDPNTDYYSRFOSM-GFCCVEGCSA-N 1 3 196.338 1.862 20 0 ADADHO C[C@@]1(C[NH+]2CCCC2)CCCNC1 62861597 343383723 /nfs/dbraw/zinc/38/37/23/343383723.db2.gz NVENDACCZONFBF-LLVKDONJSA-N 1 3 182.311 1.472 20 0 ADADHO C[C@@]1(CN2CCCC2)CCC[NH2+]C1 62861597 343383724 /nfs/dbraw/zinc/38/37/24/343383724.db2.gz NVENDACCZONFBF-LLVKDONJSA-N 1 3 182.311 1.472 20 0 ADADHO C[C@]1(CN2CCCCC2)CCC[NH2+]C1 62861784 343383594 /nfs/dbraw/zinc/38/35/94/343383594.db2.gz YDPNTDYYSRFOSM-LBPRGKRZSA-N 1 3 196.338 1.862 20 0 ADADHO C[C@]1(C[NH+]2CCCCC2)CCCNC1 62861784 343383595 /nfs/dbraw/zinc/38/35/95/343383595.db2.gz YDPNTDYYSRFOSM-LBPRGKRZSA-N 1 3 196.338 1.862 20 0 ADADHO C[C@@H]1CCC[N@@H+]1C[C@]1(C)CCCNC1 62862161 343383709 /nfs/dbraw/zinc/38/37/09/343383709.db2.gz LUAIRHUGZCHBGQ-VXGBXAGGSA-N 1 3 196.338 1.860 20 0 ADADHO C[C@@H]1CCC[N@H+]1C[C@]1(C)CCCNC1 62862161 343383710 /nfs/dbraw/zinc/38/37/10/343383710.db2.gz LUAIRHUGZCHBGQ-VXGBXAGGSA-N 1 3 196.338 1.860 20 0 ADADHO C[C@H]1CC[C@@H](C)C[N@H+]1CCCN 84045084 343630128 /nfs/dbraw/zinc/63/01/28/343630128.db2.gz CRGBWCVNBGYLBQ-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1CC[C@@H](C)C[N@@H+]1CCCN 84045084 343630129 /nfs/dbraw/zinc/63/01/29/343630129.db2.gz CRGBWCVNBGYLBQ-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1CC[C@@H](C)[N@H+](CCCN)C1 84045096 343630134 /nfs/dbraw/zinc/63/01/34/343630134.db2.gz CRGBWCVNBGYLBQ-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1CC[C@@H](C)[N@@H+](CCCN)C1 84045096 343630135 /nfs/dbraw/zinc/63/01/35/343630135.db2.gz CRGBWCVNBGYLBQ-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCCC1 84217347 343632270 /nfs/dbraw/zinc/63/22/70/343632270.db2.gz LWGCKZITNMEJLA-KOLCDFICSA-N 1 3 182.311 1.646 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCCC1 84217349 343632295 /nfs/dbraw/zinc/63/22/95/343632295.db2.gz LWGCKZITNMEJLA-GXSJLCMTSA-N 1 3 182.311 1.646 20 0 ADADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC1 84215304 343632299 /nfs/dbraw/zinc/63/22/99/343632299.db2.gz OAXIQBGTZXHTMB-WPRPVWTQSA-N 1 3 168.284 1.256 20 0 ADADHO CC[NH2+][C@@H]1CCCC[C@H]1CN 84215108 343632330 /nfs/dbraw/zinc/63/23/30/343632330.db2.gz OTFYIQBYEPUPMW-DTWKUNHWSA-N 1 3 156.273 1.113 20 0 ADADHO CC(C)[NH2+][C@@H]1CCCC[C@@H]1CN 84215384 343632332 /nfs/dbraw/zinc/63/23/32/343632332.db2.gz VTRFTHQTXSPHNJ-NXEZZACHSA-N 1 3 170.300 1.502 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCC1 84221450 343632336 /nfs/dbraw/zinc/63/23/36/343632336.db2.gz QWGADXBWKKKYGW-WPRPVWTQSA-N 1 3 168.284 1.256 20 0 ADADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCC1 84221442 343632339 /nfs/dbraw/zinc/63/23/39/343632339.db2.gz QWGADXBWKKKYGW-SCZZXKLOSA-N 1 3 168.284 1.256 20 0 ADADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CC1 84215308 343632349 /nfs/dbraw/zinc/63/23/49/343632349.db2.gz OAXIQBGTZXHTMB-SCZZXKLOSA-N 1 3 168.284 1.256 20 0 ADADHO CC[NH2+][C@H]1CCCC[C@@H]1CN 84215106 343632351 /nfs/dbraw/zinc/63/23/51/343632351.db2.gz OTFYIQBYEPUPMW-BDAKNGLRSA-N 1 3 156.273 1.113 20 0 ADADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CC1 84215310 343632353 /nfs/dbraw/zinc/63/23/53/343632353.db2.gz OAXIQBGTZXHTMB-PSASIEDQSA-N 1 3 168.284 1.256 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCCC1 84217351 343632355 /nfs/dbraw/zinc/63/23/55/343632355.db2.gz LWGCKZITNMEJLA-ONGXEEELSA-N 1 3 182.311 1.646 20 0 ADADHO C[NH+](C)C1(CCN)CCSCC1 84348757 343634686 /nfs/dbraw/zinc/63/46/86/343634686.db2.gz WWQVVJZHSJTPCE-UHFFFAOYSA-N 1 3 188.340 1.163 20 0 ADADHO CN(C)C1(CC[NH3+])CCSCC1 84348757 343634687 /nfs/dbraw/zinc/63/46/87/343634687.db2.gz WWQVVJZHSJTPCE-UHFFFAOYSA-N 1 3 188.340 1.163 20 0 ADADHO CC1(C)CC[N@@H+](C[C@H]2CCCNC2)C1 87254578 343659055 /nfs/dbraw/zinc/65/90/55/343659055.db2.gz KTCABLBQSZKITK-NSHDSACASA-N 1 3 196.338 1.718 20 0 ADADHO CSCCN[C@H]1CCC[C@H]([NH3+])C1 86404298 343651485 /nfs/dbraw/zinc/65/14/85/343651485.db2.gz AQDKCEQZKIJDRH-IUCAKERBSA-N 1 3 188.340 1.209 20 0 ADADHO N[C@H]1CCC[C@H]([NH2+]C2CCCC2)C1 86401635 343651487 /nfs/dbraw/zinc/65/14/87/343651487.db2.gz ZTDRWRVYHYMUBP-ONGXEEELSA-N 1 3 182.311 1.789 20 0 ADADHO CC(C)C[NH2+][C@H]1CCC[C@H](N)C1 86401627 343651495 /nfs/dbraw/zinc/65/14/95/343651495.db2.gz LEMLTTMYPYPUHO-UWVGGRQHSA-N 1 3 170.300 1.502 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 86401630 343651500 /nfs/dbraw/zinc/65/15/00/343651500.db2.gz LEMLTTMYPYPUHO-NXEZZACHSA-N 1 3 170.300 1.502 20 0 ADADHO CSCCN[C@@H]1CCC[C@@H]([NH3+])C1 86404299 343651512 /nfs/dbraw/zinc/65/15/12/343651512.db2.gz AQDKCEQZKIJDRH-RKDXNWHRSA-N 1 3 188.340 1.209 20 0 ADADHO CSCCN[C@H]1CCC[C@@H]([NH3+])C1 86404301 343651517 /nfs/dbraw/zinc/65/15/17/343651517.db2.gz AQDKCEQZKIJDRH-BDAKNGLRSA-N 1 3 188.340 1.209 20 0 ADADHO N[C@H]1CCC[C@@H]([NH2+]CC2CC2)C1 86401655 343651529 /nfs/dbraw/zinc/65/15/29/343651529.db2.gz ZDWCLYUDBWMECS-VHSXEESVSA-N 1 3 168.284 1.256 20 0 ADADHO CC(C)C[NH2+][C@H]1CCC[C@@H](N)C1 86401631 343651531 /nfs/dbraw/zinc/65/15/31/343651531.db2.gz LEMLTTMYPYPUHO-ZJUUUORDSA-N 1 3 170.300 1.502 20 0 ADADHO N[C@H]1CCC[C@H]([NH2+]CC2CC2)C1 86401658 343651534 /nfs/dbraw/zinc/65/15/34/343651534.db2.gz ZDWCLYUDBWMECS-UWVGGRQHSA-N 1 3 168.284 1.256 20 0 ADADHO CC1CCC([NH2+][C@@H]2CCNC2)CC1 86724757 343653917 /nfs/dbraw/zinc/65/39/17/343653917.db2.gz QPDQGGGORBYQKN-VQXHTEKXSA-N 1 3 182.311 1.517 20 0 ADADHO CCC1CCC([NH2+][C@H]2CCNC2)CC1 86729274 343654202 /nfs/dbraw/zinc/65/42/02/343654202.db2.gz RKLHCCZABAFJEE-MCIGGMRASA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)CN(C)C1CC([NH3+])C1 87653196 343662664 /nfs/dbraw/zinc/66/26/64/343662664.db2.gz OUHWUEQKDYNYSW-UHFFFAOYSA-N 1 3 156.273 1.064 20 0 ADADHO [NH3+][C@@H]1CCN(CC2CCCCCC2)C1 91363173 343677448 /nfs/dbraw/zinc/67/74/48/343677448.db2.gz NBYAUZUYZUOBMA-GFCCVEGCSA-N 1 3 196.338 1.990 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1CCC1 122368123 343779171 /nfs/dbraw/zinc/77/91/71/343779171.db2.gz YWYDZYCTUZFBBX-ONGXEEELSA-N 1 3 182.311 1.456 20 0 ADADHO CN(C[C@]1(C)CCC[NH2+]C1)C1CCC1 127561314 343814069 /nfs/dbraw/zinc/81/40/69/343814069.db2.gz HQQFYKGDFYLPGL-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO C[N@H+](C[C@]1(C)CCCNC1)C1CCC1 127561314 343814070 /nfs/dbraw/zinc/81/40/70/343814070.db2.gz HQQFYKGDFYLPGL-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO C[N@@H+](C[C@]1(C)CCCNC1)C1CCC1 127561314 343814071 /nfs/dbraw/zinc/81/40/71/343814071.db2.gz HQQFYKGDFYLPGL-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO CC1(C)CC[C@@H]([NH2+]CC2CNC2)C1 129590207 343853797 /nfs/dbraw/zinc/85/37/97/343853797.db2.gz JWTDUSYGGWGOCC-SNVBAGLBSA-N 1 3 182.311 1.374 20 0 ADADHO C1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 250654812 166083372 /nfs/dbraw/zinc/08/33/72/166083372.db2.gz NNJGFYLYRLLXED-RYUDHWBXSA-N 1 3 194.322 1.755 20 0 ADADHO C1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 250654812 166083373 /nfs/dbraw/zinc/08/33/73/166083373.db2.gz NNJGFYLYRLLXED-RYUDHWBXSA-N 1 3 194.322 1.755 20 0 ADADHO C1CC([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 250654812 166083374 /nfs/dbraw/zinc/08/33/74/166083374.db2.gz NNJGFYLYRLLXED-RYUDHWBXSA-N 1 3 194.322 1.755 20 0 ADADHO C1CC(CN2CC[C@]3(CC[NH2+]C3)C2)C1 306148270 166083387 /nfs/dbraw/zinc/08/33/87/166083387.db2.gz AOIIBJKCXUUETP-LBPRGKRZSA-N 1 3 194.322 1.472 20 0 ADADHO C1CC([NH2+][C@H]2CC[C@@H]2C2CC2)CCN1 335498801 166083574 /nfs/dbraw/zinc/08/35/74/166083574.db2.gz WHQYHOLZMHSNTE-NEPJUHHUSA-N 1 3 194.322 1.517 20 0 ADADHO C1CC([NH2+]C[C@H]2CCCNC2)C1 52212319 166083770 /nfs/dbraw/zinc/08/37/70/166083770.db2.gz ZYGWYMUKQCITFI-VIFPVBQESA-N 1 3 168.284 1.128 20 0 ADADHO C1CC([NH2+][C@H]2CC[C@H]2C2CC2)CCN1 335498803 166083821 /nfs/dbraw/zinc/08/38/21/166083821.db2.gz WHQYHOLZMHSNTE-RYUDHWBXSA-N 1 3 194.322 1.517 20 0 ADADHO C1CC([NH2+][C@@H]2CC[C@H]2C2CC2)CCN1 335498802 166083840 /nfs/dbraw/zinc/08/38/40/166083840.db2.gz WHQYHOLZMHSNTE-NWDGAFQWSA-N 1 3 194.322 1.517 20 0 ADADHO C1CC([NH2+]C(C2CC2)C2CC2)CCN1 38040689 166084054 /nfs/dbraw/zinc/08/40/54/166084054.db2.gz OMNKXEYZTQUSBI-UHFFFAOYSA-N 1 3 194.322 1.517 20 0 ADADHO C1CC(CNC2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 335033698 166084075 /nfs/dbraw/zinc/08/40/75/166084075.db2.gz HVNMOCJHPMVPDH-FOSCPWQOSA-N 1 3 194.322 1.659 20 0 ADADHO C1CC([NH2+][C@@H]2CC[C@@H]2C2CC2)CCN1 335498804 166084101 /nfs/dbraw/zinc/08/41/01/166084101.db2.gz WHQYHOLZMHSNTE-VXGBXAGGSA-N 1 3 194.322 1.517 20 0 ADADHO C1CC(CN2CC[C@@]3(CC[NH2+]C3)C2)C1 306148269 166084270 /nfs/dbraw/zinc/08/42/70/166084270.db2.gz AOIIBJKCXUUETP-GFCCVEGCSA-N 1 3 194.322 1.472 20 0 ADADHO C1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 250654810 166084412 /nfs/dbraw/zinc/08/44/12/166084412.db2.gz NNJGFYLYRLLXED-NEPJUHHUSA-N 1 3 194.322 1.755 20 0 ADADHO C1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 250654810 166084413 /nfs/dbraw/zinc/08/44/13/166084413.db2.gz NNJGFYLYRLLXED-NEPJUHHUSA-N 1 3 194.322 1.755 20 0 ADADHO C1CC([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 250654810 166084415 /nfs/dbraw/zinc/08/44/15/166084415.db2.gz NNJGFYLYRLLXED-NEPJUHHUSA-N 1 3 194.322 1.755 20 0 ADADHO C1CC2(C1)CC[C@@H]2[NH2+]C1CCNCC1 335452686 166084804 /nfs/dbraw/zinc/08/48/04/166084804.db2.gz PWRBXIQEIWDAFJ-NSHDSACASA-N 1 3 194.322 1.661 20 0 ADADHO C1CC2(C1)CC[C@H]2[NH2+]C1CCNCC1 335452685 166085998 /nfs/dbraw/zinc/08/59/98/166085998.db2.gz PWRBXIQEIWDAFJ-LLVKDONJSA-N 1 3 194.322 1.661 20 0 ADADHO C1CCC([NH2+]C[C@@H]2CCCN2)CC1 40397682 166086684 /nfs/dbraw/zinc/08/66/84/166086684.db2.gz YFDQTBSHRNUGOC-NSHDSACASA-N 1 3 182.311 1.661 20 0 ADADHO C1CCC([NH2+]C[C@H]2CCCN2)CC1 40397684 166086794 /nfs/dbraw/zinc/08/67/94/166086794.db2.gz YFDQTBSHRNUGOC-LLVKDONJSA-N 1 3 182.311 1.661 20 0 ADADHO C1CCC(N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 250805511 166087051 /nfs/dbraw/zinc/08/70/51/166087051.db2.gz CKNVLDSNYNJNGP-URLYPYJESA-N 1 3 180.295 1.127 20 0 ADADHO C1CCC(N[C@@H]2CCC[NH2+]C2)C1 43323709 166087088 /nfs/dbraw/zinc/08/70/88/166087088.db2.gz YTVURROPEQUERR-SNVBAGLBSA-N 1 3 168.284 1.271 20 0 ADADHO C1CCC(NC2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 129788494 166087887 /nfs/dbraw/zinc/08/78/87/166087887.db2.gz KGMWEMLHLPCOEK-FOSCPWQOSA-N 1 3 194.322 1.802 20 0 ADADHO C1CCC(N[C@H]2CCC[NH2+]C2)C1 43323711 166087913 /nfs/dbraw/zinc/08/79/13/166087913.db2.gz YTVURROPEQUERR-JTQLQIEISA-N 1 3 168.284 1.271 20 0 ADADHO C1CCC([NH2+]C[C@@H]2CCCN2)C1 40408770 166087935 /nfs/dbraw/zinc/08/79/35/166087935.db2.gz SVIDIFOCYBCWRG-JTQLQIEISA-N 1 3 168.284 1.271 20 0 ADADHO C1CCC([NH2+]C[C@H]2CCCNC2)CC1 40397690 166088040 /nfs/dbraw/zinc/08/80/40/166088040.db2.gz NZKRKTOGMNMYFH-NSHDSACASA-N 1 3 196.338 1.908 20 0 ADADHO C1CCC(CN[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 334832917 166088144 /nfs/dbraw/zinc/08/81/44/166088144.db2.gz IGDZQUBWQGXHJY-GDNZZTSVSA-N 1 3 194.322 1.374 20 0 ADADHO C1CCC([NH2+]C[C@H]2CCCNC2)C1 40408785 166088235 /nfs/dbraw/zinc/08/82/35/166088235.db2.gz YROGFPAMJXJXLB-JTQLQIEISA-N 1 3 182.311 1.518 20 0 ADADHO C1CCC([NH2+]C[C@@H]2CCCNC2)C1 40408781 166088290 /nfs/dbraw/zinc/08/82/90/166088290.db2.gz YROGFPAMJXJXLB-SNVBAGLBSA-N 1 3 182.311 1.518 20 0 ADADHO C1CCC([NH2+]C[C@@H]2CCCNC2)CC1 40397688 166088635 /nfs/dbraw/zinc/08/86/35/166088635.db2.gz NZKRKTOGMNMYFH-LLVKDONJSA-N 1 3 196.338 1.908 20 0 ADADHO C1CCC([NH2+]C[C@H]2CCCN2)C1 40408773 166088652 /nfs/dbraw/zinc/08/86/52/166088652.db2.gz SVIDIFOCYBCWRG-SNVBAGLBSA-N 1 3 168.284 1.271 20 0 ADADHO C1CCCC(N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 250832102 166089400 /nfs/dbraw/zinc/08/94/00/166089400.db2.gz JMEWYQQMPICHCK-GDNZZTSVSA-N 1 3 194.322 1.517 20 0 ADADHO C1CCCC(C[NH2+][C@@H]2CCNC2)CC1 307211170 166089615 /nfs/dbraw/zinc/08/96/15/166089615.db2.gz NPBHNXVBKVBYCA-GFCCVEGCSA-N 1 3 196.338 1.908 20 0 ADADHO C1CCCC(C[NH2+][C@H]2CCNC2)CC1 307211171 166090192 /nfs/dbraw/zinc/09/01/92/166090192.db2.gz NPBHNXVBKVBYCA-LBPRGKRZSA-N 1 3 196.338 1.908 20 0 ADADHO C1CC[C@@H]([C@H]2CCCNC2)[NH2+]C1 5566901 166090694 /nfs/dbraw/zinc/09/06/94/166090694.db2.gz VIBRTPAHHNJKOA-UWVGGRQHSA-N 1 3 168.284 1.128 20 0 ADADHO C1CC[C@@H](CNCC2CC2)[NH2+]C1 40409422 166090867 /nfs/dbraw/zinc/09/08/67/166090867.db2.gz IMNDGIWMLKDMDD-JTQLQIEISA-N 1 3 168.284 1.128 20 0 ADADHO C1CC[C@@H]([C@@H]2CCCNC2)[NH2+]C1 5566900 166091765 /nfs/dbraw/zinc/09/17/65/166091765.db2.gz VIBRTPAHHNJKOA-ZJUUUORDSA-N 1 3 168.284 1.128 20 0 ADADHO C1CC[NH+](CCCN2CCCC2)CC1 41207426 166092044 /nfs/dbraw/zinc/09/20/44/166092044.db2.gz ATQNPSMANWDUFL-UHFFFAOYSA-N 1 3 196.338 1.958 20 0 ADADHO C1CC[C@@H](CNC2CCCC2)[NH2+]C1 40408788 166092619 /nfs/dbraw/zinc/09/26/19/166092619.db2.gz BLYMSQPPVRFLNB-NSHDSACASA-N 1 3 182.311 1.661 20 0 ADADHO C1CC[C@H]([C@H]2CCCNC2)[NH2+]C1 5566903 166093262 /nfs/dbraw/zinc/09/32/62/166093262.db2.gz VIBRTPAHHNJKOA-VHSXEESVSA-N 1 3 168.284 1.128 20 0 ADADHO C1CC[C@H](CNC2CCCC2)[NH2+]C1 40408792 166093503 /nfs/dbraw/zinc/09/35/03/166093503.db2.gz BLYMSQPPVRFLNB-LLVKDONJSA-N 1 3 182.311 1.661 20 0 ADADHO C1CC[C@H](CNCC2CC2)[NH2+]C1 40409426 166093851 /nfs/dbraw/zinc/09/38/51/166093851.db2.gz IMNDGIWMLKDMDD-SNVBAGLBSA-N 1 3 168.284 1.128 20 0 ADADHO C1CC[C@H]([C@@H]2CCCNC2)[NH2+]C1 5566902 166093889 /nfs/dbraw/zinc/09/38/89/166093889.db2.gz VIBRTPAHHNJKOA-NXEZZACHSA-N 1 3 168.284 1.128 20 0 ADADHO C1C[NH2+][C@H](CNC(C2CC2)C2CC2)C1 49237837 166097309 /nfs/dbraw/zinc/09/73/09/166097309.db2.gz CMWIEDXJHRQQBH-NSHDSACASA-N 1 3 194.322 1.517 20 0 ADADHO C1CN[C@H](C[NH2+]C(C2CC2)C2CC2)C1 49237837 166097311 /nfs/dbraw/zinc/09/73/11/166097311.db2.gz CMWIEDXJHRQQBH-NSHDSACASA-N 1 3 194.322 1.517 20 0 ADADHO C1C[NH2+][C@@H](CNC(C2CC2)C2CC2)C1 49237835 166097871 /nfs/dbraw/zinc/09/78/71/166097871.db2.gz CMWIEDXJHRQQBH-LLVKDONJSA-N 1 3 194.322 1.517 20 0 ADADHO C1CN[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 49237835 166097874 /nfs/dbraw/zinc/09/78/74/166097874.db2.gz CMWIEDXJHRQQBH-LLVKDONJSA-N 1 3 194.322 1.517 20 0 ADADHO C1C[C@@H]([NH2+]CC23CCC(CC2)C3)CN1 335021995 166103173 /nfs/dbraw/zinc/10/31/73/166103173.db2.gz BVMVUOZSDHKPPX-MOENNCHZSA-N 1 3 194.322 1.518 20 0 ADADHO C1C[C@@H]([NH2+]CC2CNC2)C2(C1)CCC2 335462669 166103395 /nfs/dbraw/zinc/10/33/95/166103395.db2.gz SBFJMDMOEMRGGT-LLVKDONJSA-N 1 3 194.322 1.518 20 0 ADADHO C1C[C@@H]([NH2+][C@H]2CCNC2)C2(C1)CCC2 335061061 166103743 /nfs/dbraw/zinc/10/37/43/166103743.db2.gz QYJQYNKWFSMHDR-WDEREUQCSA-N 1 3 194.322 1.661 20 0 ADADHO C1C[C@@H]([NH2+][C@@H]2CCNC2)C2(C1)CCC2 335061058 166104119 /nfs/dbraw/zinc/10/41/19/166104119.db2.gz QYJQYNKWFSMHDR-GHMZBOCLSA-N 1 3 194.322 1.661 20 0 ADADHO C1C[C@@H]([NH2+]C2CCC3(CC2)CC3)CN1 335010119 166104464 /nfs/dbraw/zinc/10/44/64/166104464.db2.gz NQHADTFVSVFXLN-LLVKDONJSA-N 1 3 194.322 1.661 20 0 ADADHO C1C[C@H]([NH2+]CC23CCC(CC2)C3)CN1 335021994 166105472 /nfs/dbraw/zinc/10/54/72/166105472.db2.gz BVMVUOZSDHKPPX-CXQJBGSLSA-N 1 3 194.322 1.518 20 0 ADADHO C1C[C@H]2CCNC[C@@H](C1)[N@@H+]2C1CC1 38343402 166105879 /nfs/dbraw/zinc/10/58/79/166105879.db2.gz WNGLXRHWIDDNOC-GXSJLCMTSA-N 1 3 180.295 1.365 20 0 ADADHO C1C[C@H]2CCNC[C@@H](C1)[N@H+]2C1CC1 38343402 166105881 /nfs/dbraw/zinc/10/58/81/166105881.db2.gz WNGLXRHWIDDNOC-GXSJLCMTSA-N 1 3 180.295 1.365 20 0 ADADHO C1C[C@H]([NH2+]CC2CNC2)C2(C1)CCC2 335462670 166105889 /nfs/dbraw/zinc/10/58/89/166105889.db2.gz SBFJMDMOEMRGGT-NSHDSACASA-N 1 3 194.322 1.518 20 0 ADADHO C1C[C@H]([NH2+][C@H]2CCNC2)C2(C1)CCC2 335061060 166106151 /nfs/dbraw/zinc/10/61/51/166106151.db2.gz QYJQYNKWFSMHDR-QWRGUYRKSA-N 1 3 194.322 1.661 20 0 ADADHO C1C[C@H]([NH2+][C@@H]2CCNC2)C2(C1)CCC2 335061059 166106285 /nfs/dbraw/zinc/10/62/85/166106285.db2.gz QYJQYNKWFSMHDR-MNOVXSKESA-N 1 3 194.322 1.661 20 0 ADADHO C1C[C@@H]2C[C@@H]([NH2+]CC3CC3)CCN2C1 112341304 166106735 /nfs/dbraw/zinc/10/67/35/166106735.db2.gz RDXBQAAXYUKBPG-NWDGAFQWSA-N 1 3 194.322 1.613 20 0 ADADHO C1C[C@@H]2C[C@@H](NCC3CC3)CC[N@@H+]2C1 112341304 166106738 /nfs/dbraw/zinc/10/67/38/166106738.db2.gz RDXBQAAXYUKBPG-NWDGAFQWSA-N 1 3 194.322 1.613 20 0 ADADHO C1C[C@@H]2C[C@@H](NCC3CC3)CC[N@H+]2C1 112341304 166106740 /nfs/dbraw/zinc/10/67/40/166106740.db2.gz RDXBQAAXYUKBPG-NWDGAFQWSA-N 1 3 194.322 1.613 20 0 ADADHO C1C[C@H]([NH2+]C2CCC3(CC2)CC3)CN1 335010120 166106811 /nfs/dbraw/zinc/10/68/11/166106811.db2.gz NQHADTFVSVFXLN-NSHDSACASA-N 1 3 194.322 1.661 20 0 ADADHO C1C[C@@H]2C[C@H]([NH2+]CC3CC3)CCN2C1 112341299 166106845 /nfs/dbraw/zinc/10/68/45/166106845.db2.gz RDXBQAAXYUKBPG-VXGBXAGGSA-N 1 3 194.322 1.613 20 0 ADADHO C1C[C@@H]2C[C@H](NCC3CC3)CC[N@@H+]2C1 112341299 166106848 /nfs/dbraw/zinc/10/68/48/166106848.db2.gz RDXBQAAXYUKBPG-VXGBXAGGSA-N 1 3 194.322 1.613 20 0 ADADHO C1C[C@@H]2C[C@H](NCC3CC3)CC[N@H+]2C1 112341299 166106851 /nfs/dbraw/zinc/10/68/51/166106851.db2.gz RDXBQAAXYUKBPG-VXGBXAGGSA-N 1 3 194.322 1.613 20 0 ADADHO C1C[C@@]2(CCN(CC3CC3)C2)C[NH2+]1 31994426 166106880 /nfs/dbraw/zinc/10/68/80/166106880.db2.gz KTOCZCAITXLSKD-LLVKDONJSA-N 1 3 180.295 1.082 20 0 ADADHO C1C[C@@H]2C[C@@H](NC3CC3)CC[N@@H+]2C1 107412737 166107702 /nfs/dbraw/zinc/10/77/02/166107702.db2.gz GWIAZVUEMJANQA-WDEREUQCSA-N 1 3 180.295 1.365 20 0 ADADHO C1C[C@@H]2C[C@@H](NC3CC3)CC[N@H+]2C1 107412737 166107703 /nfs/dbraw/zinc/10/77/03/166107703.db2.gz GWIAZVUEMJANQA-WDEREUQCSA-N 1 3 180.295 1.365 20 0 ADADHO C1C[C@@H]2C[C@H](NC3CC3)CC[N@@H+]2C1 107412733 166107727 /nfs/dbraw/zinc/10/77/27/166107727.db2.gz GWIAZVUEMJANQA-GHMZBOCLSA-N 1 3 180.295 1.365 20 0 ADADHO C1C[C@@H]2C[C@H](NC3CC3)CC[N@H+]2C1 107412733 166107729 /nfs/dbraw/zinc/10/77/29/166107729.db2.gz GWIAZVUEMJANQA-GHMZBOCLSA-N 1 3 180.295 1.365 20 0 ADADHO C1C[C@]2(CCN(CC3CC3)C2)C[NH2+]1 31994429 166108581 /nfs/dbraw/zinc/10/85/81/166108581.db2.gz KTOCZCAITXLSKD-NSHDSACASA-N 1 3 180.295 1.082 20 0 ADADHO C1NCC1C[NH2+]C1CCC2(CC1)CC2 335461706 166109409 /nfs/dbraw/zinc/10/94/09/166109409.db2.gz LRSJEARXUHGBEI-UHFFFAOYSA-N 1 3 194.322 1.518 20 0 ADADHO C1C[C@H]2C[C@@H](NC3CC3)CC[N@@H+]2C1 107412739 166109521 /nfs/dbraw/zinc/10/95/21/166109521.db2.gz GWIAZVUEMJANQA-QWRGUYRKSA-N 1 3 180.295 1.365 20 0 ADADHO C1C[C@H]2C[C@@H](NC3CC3)CC[N@H+]2C1 107412739 166109523 /nfs/dbraw/zinc/10/95/23/166109523.db2.gz GWIAZVUEMJANQA-QWRGUYRKSA-N 1 3 180.295 1.365 20 0 ADADHO C1C[C@H]2C[C@@H]([NH2+]CC3CC3)CCN2C1 112341306 166109771 /nfs/dbraw/zinc/10/97/71/166109771.db2.gz RDXBQAAXYUKBPG-RYUDHWBXSA-N 1 3 194.322 1.613 20 0 ADADHO C1C[C@H]2C[C@@H](NCC3CC3)CC[N@@H+]2C1 112341306 166109773 /nfs/dbraw/zinc/10/97/73/166109773.db2.gz RDXBQAAXYUKBPG-RYUDHWBXSA-N 1 3 194.322 1.613 20 0 ADADHO C1C[C@H]2C[C@@H](NCC3CC3)CC[N@H+]2C1 112341306 166109775 /nfs/dbraw/zinc/10/97/75/166109775.db2.gz RDXBQAAXYUKBPG-RYUDHWBXSA-N 1 3 194.322 1.613 20 0 ADADHO C1C[C@H]2C[C@H](NC3CC3)CC[N@@H+]2C1 107412735 166110213 /nfs/dbraw/zinc/11/02/13/166110213.db2.gz GWIAZVUEMJANQA-MNOVXSKESA-N 1 3 180.295 1.365 20 0 ADADHO C1C[C@H]2C[C@H](NC3CC3)CC[N@H+]2C1 107412735 166110215 /nfs/dbraw/zinc/11/02/15/166110215.db2.gz GWIAZVUEMJANQA-MNOVXSKESA-N 1 3 180.295 1.365 20 0 ADADHO C1C[C@H]2C[C@H]([NH2+]CC3CC3)CCN2C1 112341301 166110332 /nfs/dbraw/zinc/11/03/32/166110332.db2.gz RDXBQAAXYUKBPG-NEPJUHHUSA-N 1 3 194.322 1.613 20 0 ADADHO C1C[C@H]2C[C@H](NCC3CC3)CC[N@@H+]2C1 112341301 166110335 /nfs/dbraw/zinc/11/03/35/166110335.db2.gz RDXBQAAXYUKBPG-NEPJUHHUSA-N 1 3 194.322 1.613 20 0 ADADHO C1C[C@H]2C[C@H](NCC3CC3)CC[N@H+]2C1 112341301 166110338 /nfs/dbraw/zinc/11/03/38/166110338.db2.gz RDXBQAAXYUKBPG-NEPJUHHUSA-N 1 3 194.322 1.613 20 0 ADADHO C1CC([NH2+]C[C@@H]2CCCNC2)C1 52212317 166082571 /nfs/dbraw/zinc/08/25/71/166082571.db2.gz ZYGWYMUKQCITFI-SECBINFHSA-N 1 3 168.284 1.128 20 0 ADADHO CC(C)(C)CC[N@@H+]1CC[C@@H](CN)C1 50248978 166350493 /nfs/dbraw/zinc/35/04/93/166350493.db2.gz HEDRVUVFPRUEFO-JTQLQIEISA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)(C)CC[N@H+]1CC[C@@H](CN)C1 50248978 166350496 /nfs/dbraw/zinc/35/04/96/166350496.db2.gz HEDRVUVFPRUEFO-JTQLQIEISA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)(C)CCN1CC[C@@H]([NH3+])C1 50243783 166351599 /nfs/dbraw/zinc/35/15/99/166351599.db2.gz ZXTHSGUWSJRWRO-SECBINFHSA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)(C)CCN1CC[C@H]([NH3+])C1 50243782 166351775 /nfs/dbraw/zinc/35/17/75/166351775.db2.gz ZXTHSGUWSJRWRO-VIFPVBQESA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)(C)CC[NH+]1CCC(N)CC1 36754083 166352417 /nfs/dbraw/zinc/35/24/17/166352417.db2.gz FUXIGTYAOYJWRU-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)(C)CCN1CCC([NH3+])CC1 36754083 166352420 /nfs/dbraw/zinc/35/24/20/166352420.db2.gz FUXIGTYAOYJWRU-UHFFFAOYSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)(C)CC[N@@H+]1CC[C@H](CN)C1 50248977 166352617 /nfs/dbraw/zinc/35/26/17/166352617.db2.gz HEDRVUVFPRUEFO-SNVBAGLBSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)(C)CC[N@H+]1CC[C@H](CN)C1 50248977 166352621 /nfs/dbraw/zinc/35/26/21/166352621.db2.gz HEDRVUVFPRUEFO-SNVBAGLBSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)(C)CNC[C@@H]1CCCC[NH2+]1 40494944 166352874 /nfs/dbraw/zinc/35/28/74/166352874.db2.gz VLNVSAVXHUSZGF-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)(C)CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 334881755 166352963 /nfs/dbraw/zinc/35/29/63/166352963.db2.gz KHSWQGWIVQJAFI-ZACCUICWSA-N 1 3 196.338 1.905 20 0 ADADHO CC(C)(C)C[NH2+]CCCNC1CC1 40494994 166353525 /nfs/dbraw/zinc/35/35/25/166353525.db2.gz POIQPPWQGBQZSE-UHFFFAOYSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)(C)C[NH2+]C[C@H]1CCCNC1 40494942 166353544 /nfs/dbraw/zinc/35/35/44/166353544.db2.gz SGKZCSLYCIDIGF-JTQLQIEISA-N 1 3 184.327 1.622 20 0 ADADHO CC(C)(C)C[NH2+]C[C@@H]1CCCNC1 40494941 166353556 /nfs/dbraw/zinc/35/35/56/166353556.db2.gz SGKZCSLYCIDIGF-SNVBAGLBSA-N 1 3 184.327 1.622 20 0 ADADHO CC(C)(C)CNC[C@H]1CCCC[NH2+]1 40494945 166353777 /nfs/dbraw/zinc/35/37/77/166353777.db2.gz VLNVSAVXHUSZGF-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)(C)CN[C@H]1CCC[NH2+]C1 43327435 166354732 /nfs/dbraw/zinc/35/47/32/166354732.db2.gz HSXSSCUJZUJQRI-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CC(C)(C)CN[C@@H]1CCC[NH2+]C1 43327434 166354763 /nfs/dbraw/zinc/35/47/63/166354763.db2.gz HSXSSCUJZUJQRI-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO CC(C)(C)[NH2+]C[C@@H]1CCCNC1 40398070 166364775 /nfs/dbraw/zinc/36/47/75/166364775.db2.gz ABEOUIRYXNKKET-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO CC(C)(C)NC[C@H]1CCCC[NH2+]1 40398076 166365946 /nfs/dbraw/zinc/36/59/46/166365946.db2.gz SETGEOGAIGAPNH-SECBINFHSA-N 1 3 170.300 1.517 20 0 ADADHO CC(C)(C)NC[C@@H]1CCCC[NH2+]1 40398074 166366025 /nfs/dbraw/zinc/36/60/25/166366025.db2.gz SETGEOGAIGAPNH-VIFPVBQESA-N 1 3 170.300 1.517 20 0 ADADHO CC(C)(C)[NH2+]C[C@H]1CCCNC1 40398072 166366656 /nfs/dbraw/zinc/36/66/56/166366656.db2.gz ABEOUIRYXNKKET-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CC(C)([NH3+])CCN1CCCCC1 82400773 166402515 /nfs/dbraw/zinc/40/25/15/166402515.db2.gz TXXOBOXKHJTCJN-UHFFFAOYSA-N 1 3 170.300 1.600 20 0 ADADHO CC(C)=CCN[C@@H]1CC[NH2+]CC[C@@H]1C 335596964 166418784 /nfs/dbraw/zinc/41/87/84/166418784.db2.gz FEQIXUHTVRSKOV-NWDGAFQWSA-N 1 3 196.338 1.930 20 0 ADADHO CC(C)C[C@H](CN)[C@H]1CCCC[NH2+]1 68590884 166494780 /nfs/dbraw/zinc/49/47/80/166494780.db2.gz KTKDHSZQVGWHAT-GHMZBOCLSA-N 1 3 184.327 1.750 20 0 ADADHO CC1(C)CNCC[C@@H]1[NH2+]CC1CCC1 300848819 166682143 /nfs/dbraw/zinc/68/21/43/166682143.db2.gz NKRBIZVVSZJVKE-NSHDSACASA-N 1 3 196.338 1.764 20 0 ADADHO CC1CC([NH2+][C@H](C)[C@@H]2CCCNC2)C1 334875926 166743234 /nfs/dbraw/zinc/74/32/34/166743234.db2.gz ZVHXRHAQIXKHNX-BFUDSRACSA-N 1 3 196.338 1.763 20 0 ADADHO CC1CC([NH2+][C@@H]2CCCC[C@@H]2CN)C1 123317155 166744928 /nfs/dbraw/zinc/74/49/28/166744928.db2.gz KJYNTVMIVPKWAK-RUJICJSRSA-N 1 3 196.338 1.892 20 0 ADADHO CCCCN(CCC[NH2+]C)C1CC1 42491061 166886155 /nfs/dbraw/zinc/88/61/55/166886155.db2.gz PGWFGCROUDDFTL-UHFFFAOYSA-N 1 3 184.327 1.860 20 0 ADADHO CCC[NH2+][C@H]1CCNCC[C@H]1C 335037714 167001890 /nfs/dbraw/zinc/00/18/90/167001890.db2.gz FCAMKQXXLKAEBQ-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 155774048 167002432 /nfs/dbraw/zinc/00/24/32/167002432.db2.gz OBCSIPRHLHQVBH-WDEREUQCSA-N 1 3 182.311 1.613 20 0 ADADHO CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 155774048 167002436 /nfs/dbraw/zinc/00/24/36/167002436.db2.gz OBCSIPRHLHQVBH-WDEREUQCSA-N 1 3 182.311 1.613 20 0 ADADHO CCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 155774048 167002438 /nfs/dbraw/zinc/00/24/38/167002438.db2.gz OBCSIPRHLHQVBH-WDEREUQCSA-N 1 3 182.311 1.613 20 0 ADADHO CCC[NH2+][C@H]1CCNCC[C@@H]1C 335037712 167003673 /nfs/dbraw/zinc/00/36/73/167003673.db2.gz FCAMKQXXLKAEBQ-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 250817722 167004152 /nfs/dbraw/zinc/00/41/52/167004152.db2.gz OBCSIPRHLHQVBH-QWRGUYRKSA-N 1 3 182.311 1.613 20 0 ADADHO CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 250817722 167004154 /nfs/dbraw/zinc/00/41/54/167004154.db2.gz OBCSIPRHLHQVBH-QWRGUYRKSA-N 1 3 182.311 1.613 20 0 ADADHO CCC[NH2+][C@H]1CCN2CCC[C@H]2C1 250817722 167004155 /nfs/dbraw/zinc/00/41/55/167004155.db2.gz OBCSIPRHLHQVBH-QWRGUYRKSA-N 1 3 182.311 1.613 20 0 ADADHO CCC[C@@H](C)N(C)C[C@@H]1CC[NH2+]C1 51889512 167033499 /nfs/dbraw/zinc/03/34/99/167033499.db2.gz JCHINENIWKTVFE-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CCC[C@@H](C)N[C@H]1CCC[NH2+]C1 43323830 167034512 /nfs/dbraw/zinc/03/45/12/167034512.db2.gz BSONJNHIYDDVMX-ZJUUUORDSA-N 1 3 170.300 1.517 20 0 ADADHO CCC[C@@H](C)N[C@@H]1CCC[NH2+]C1 43323826 167035086 /nfs/dbraw/zinc/03/50/86/167035086.db2.gz BSONJNHIYDDVMX-NXEZZACHSA-N 1 3 170.300 1.517 20 0 ADADHO CCC[C@@H](C)[NH2+]C1CCNCC1 38040491 167035853 /nfs/dbraw/zinc/03/58/53/167035853.db2.gz WUPRXCSJYVUILA-SECBINFHSA-N 1 3 170.300 1.517 20 0 ADADHO CCC[C@@H](CC)[NH2+]C1CCNCC1 50402583 167042226 /nfs/dbraw/zinc/04/22/26/167042226.db2.gz VYKMMZQNFWZLOZ-SNVBAGLBSA-N 1 3 184.327 1.907 20 0 ADADHO CCC[C@H](C)N(C)C[C@@H]1CC[NH2+]C1 51889514 167067030 /nfs/dbraw/zinc/06/70/30/167067030.db2.gz JCHINENIWKTVFE-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CCC[C@H](C)N[C@@H]1CCC[NH2+]C1 43323828 167069876 /nfs/dbraw/zinc/06/98/76/167069876.db2.gz BSONJNHIYDDVMX-VHSXEESVSA-N 1 3 170.300 1.517 20 0 ADADHO CCC[C@H](C)[NH2+]C1CCNCC1 38040492 167070508 /nfs/dbraw/zinc/07/05/08/167070508.db2.gz WUPRXCSJYVUILA-VIFPVBQESA-N 1 3 170.300 1.517 20 0 ADADHO CCC[C@H](C)N[C@H]1CCC[NH2+]C1 43323832 167071082 /nfs/dbraw/zinc/07/10/82/167071082.db2.gz BSONJNHIYDDVMX-UWVGGRQHSA-N 1 3 170.300 1.517 20 0 ADADHO CCC[C@H](CC)[NH2+]C1CCNCC1 50402585 167075906 /nfs/dbraw/zinc/07/59/06/167075906.db2.gz VYKMMZQNFWZLOZ-JTQLQIEISA-N 1 3 184.327 1.907 20 0 ADADHO CCC[NH2+][C@H]1CCNCC1(C)C 300794537 167002811 /nfs/dbraw/zinc/00/28/11/167002811.db2.gz ZITAMVWPVXGMGA-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CCN(C)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 334377309 167141026 /nfs/dbraw/zinc/14/10/26/167141026.db2.gz WMIQUCJEONBSRX-ZACCUICWSA-N 1 3 182.311 1.563 20 0 ADADHO CCN(C)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 334377309 167141030 /nfs/dbraw/zinc/14/10/30/167141030.db2.gz WMIQUCJEONBSRX-ZACCUICWSA-N 1 3 182.311 1.563 20 0 ADADHO CCN(C1CC[NH2+]CC1)C1CC1 47920700 167152841 /nfs/dbraw/zinc/15/28/41/167152841.db2.gz TWTWBOLMORHXLI-UHFFFAOYSA-N 1 3 168.284 1.223 20 0 ADADHO CCN(CC(C)C)C[C@H]1CC[NH2+]C1 51889460 167156559 /nfs/dbraw/zinc/15/65/59/167156559.db2.gz NFHPLEYMORQTQE-NSHDSACASA-N 1 3 184.327 1.574 20 0 ADADHO CCN(CC(C)C)C[C@@H]1CC[NH2+]C1 51889458 167157265 /nfs/dbraw/zinc/15/72/65/167157265.db2.gz NFHPLEYMORQTQE-LLVKDONJSA-N 1 3 184.327 1.574 20 0 ADADHO CC[N@H+](CC(C)(C)N)C1CC1 40925864 167159245 /nfs/dbraw/zinc/15/92/45/167159245.db2.gz MYEAVFOITPFIME-UHFFFAOYSA-N 1 3 156.273 1.208 20 0 ADADHO CC[N@@H+](CC(C)(C)N)C1CC1 40925864 167159249 /nfs/dbraw/zinc/15/92/49/167159249.db2.gz MYEAVFOITPFIME-UHFFFAOYSA-N 1 3 156.273 1.208 20 0 ADADHO CCN(CC)CCC[NH2+]CC1CC1 37118306 167166191 /nfs/dbraw/zinc/16/61/91/167166191.db2.gz JNOPNXFVBAWKEF-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CC[NH+](CC)C[C@@H](N)C(C)C 39141011 167167846 /nfs/dbraw/zinc/16/78/46/167167846.db2.gz PMLLYZCSMMCEJJ-SECBINFHSA-N 1 3 158.289 1.312 20 0 ADADHO CCN(CC)CCC[NH2+]CC(C)C 19942837 167167906 /nfs/dbraw/zinc/16/79/06/167167906.db2.gz HRVGMFRMHFRADH-UHFFFAOYSA-N 1 3 186.343 1.964 20 0 ADADHO CC[NH+](CC)[C@H]1CCN[C@H](C)C1 73657563 167172148 /nfs/dbraw/zinc/17/21/48/167172148.db2.gz BLNMTQYWVMVPQQ-ZJUUUORDSA-N 1 3 170.300 1.469 20 0 ADADHO CCN(CC)[C@H]1CC[NH2+][C@H](C)C1 73657563 167172151 /nfs/dbraw/zinc/17/21/51/167172151.db2.gz BLNMTQYWVMVPQQ-ZJUUUORDSA-N 1 3 170.300 1.469 20 0 ADADHO CC[NH+](CC)[C@@H]1CCN[C@H](C)C1 73657561 167172541 /nfs/dbraw/zinc/17/25/41/167172541.db2.gz BLNMTQYWVMVPQQ-NXEZZACHSA-N 1 3 170.300 1.469 20 0 ADADHO CCN(CC)[C@@H]1CC[NH2+][C@H](C)C1 73657561 167172543 /nfs/dbraw/zinc/17/25/43/167172543.db2.gz BLNMTQYWVMVPQQ-NXEZZACHSA-N 1 3 170.300 1.469 20 0 ADADHO CC[NH+](CC)[C@H]1CCN[C@@H](C)C1 73657568 167174237 /nfs/dbraw/zinc/17/42/37/167174237.db2.gz BLNMTQYWVMVPQQ-UWVGGRQHSA-N 1 3 170.300 1.469 20 0 ADADHO CCN(CC)[C@H]1CC[NH2+][C@@H](C)C1 73657568 167174239 /nfs/dbraw/zinc/17/42/39/167174239.db2.gz BLNMTQYWVMVPQQ-UWVGGRQHSA-N 1 3 170.300 1.469 20 0 ADADHO CC[NH+](CC)[C@@H]1CCN[C@@H](C)C1 73657565 167174798 /nfs/dbraw/zinc/17/47/98/167174798.db2.gz BLNMTQYWVMVPQQ-VHSXEESVSA-N 1 3 170.300 1.469 20 0 ADADHO CCN(CC)[C@@H]1CC[NH2+][C@@H](C)C1 73657565 167174801 /nfs/dbraw/zinc/17/48/01/167174801.db2.gz BLNMTQYWVMVPQQ-VHSXEESVSA-N 1 3 170.300 1.469 20 0 ADADHO CC[N@H+](CCCN)CC1CCCC1 42011103 167179933 /nfs/dbraw/zinc/17/99/33/167179933.db2.gz RIVCLXNBTHDIGX-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO CC[N@@H+](CCCN)CC1CCCC1 42011103 167179936 /nfs/dbraw/zinc/17/99/36/167179936.db2.gz RIVCLXNBTHDIGX-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO CCN(C[C@@H]1CC[NH2+]C1)C(C)C 51889429 167191045 /nfs/dbraw/zinc/19/10/45/167191045.db2.gz VTSFVQFBWPYCMX-SNVBAGLBSA-N 1 3 170.300 1.326 20 0 ADADHO CC[N@H+](C[C@H]1CCCNC1)C(C)C 37082449 167191948 /nfs/dbraw/zinc/19/19/48/167191948.db2.gz RUKIDHLWVFOUNE-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO CC[N@@H+](C[C@H]1CCCNC1)C(C)C 37082449 167191951 /nfs/dbraw/zinc/19/19/51/167191951.db2.gz RUKIDHLWVFOUNE-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO CC[N@H+](C[C@@H]1CCCNC1)C(C)C 37082448 167192389 /nfs/dbraw/zinc/19/23/89/167192389.db2.gz RUKIDHLWVFOUNE-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CC[N@@H+](C[C@@H]1CCCNC1)C(C)C 37082448 167192391 /nfs/dbraw/zinc/19/23/91/167192391.db2.gz RUKIDHLWVFOUNE-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CCN(C[C@H]1CCC[NH2+]C1)C1CC1 37080165 167193337 /nfs/dbraw/zinc/19/33/37/167193337.db2.gz URFJFWLTJDZSMX-JTQLQIEISA-N 1 3 182.311 1.470 20 0 ADADHO CC[N@H+](C[C@H]1CCCNC1)C1CC1 37080165 167193339 /nfs/dbraw/zinc/19/33/39/167193339.db2.gz URFJFWLTJDZSMX-JTQLQIEISA-N 1 3 182.311 1.470 20 0 ADADHO CC[N@@H+](C[C@H]1CCCNC1)C1CC1 37080165 167193342 /nfs/dbraw/zinc/19/33/42/167193342.db2.gz URFJFWLTJDZSMX-JTQLQIEISA-N 1 3 182.311 1.470 20 0 ADADHO CCN(C[C@@H]1CCC[NH2+]C1)C1CC1 37080164 167194241 /nfs/dbraw/zinc/19/42/41/167194241.db2.gz URFJFWLTJDZSMX-SNVBAGLBSA-N 1 3 182.311 1.470 20 0 ADADHO CC[N@H+](C[C@@H]1CCCNC1)C1CC1 37080164 167194243 /nfs/dbraw/zinc/19/42/43/167194243.db2.gz URFJFWLTJDZSMX-SNVBAGLBSA-N 1 3 182.311 1.470 20 0 ADADHO CC[N@@H+](C[C@@H]1CCCNC1)C1CC1 37080164 167194246 /nfs/dbraw/zinc/19/42/46/167194246.db2.gz URFJFWLTJDZSMX-SNVBAGLBSA-N 1 3 182.311 1.470 20 0 ADADHO CCN(C[C@H]1CC[NH2+]C1)C(C)C 51889431 167194755 /nfs/dbraw/zinc/19/47/55/167194755.db2.gz VTSFVQFBWPYCMX-JTQLQIEISA-N 1 3 170.300 1.326 20 0 ADADHO CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCNC1 68590720 167202255 /nfs/dbraw/zinc/20/22/55/167202255.db2.gz FLXCSEVIJPITAU-VXGBXAGGSA-N 1 3 196.338 1.860 20 0 ADADHO CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCNC1 68590720 167202258 /nfs/dbraw/zinc/20/22/58/167202258.db2.gz FLXCSEVIJPITAU-VXGBXAGGSA-N 1 3 196.338 1.860 20 0 ADADHO CCN1CCC2(CCC[N@@H+]2C)CC1 307208868 167203694 /nfs/dbraw/zinc/20/36/94/167203694.db2.gz ONRFOCUUZGXQAO-UHFFFAOYSA-N 1 3 182.311 1.567 20 0 ADADHO CCN1CCC2(CCC[N@H+]2C)CC1 307208868 167203696 /nfs/dbraw/zinc/20/36/96/167203696.db2.gz ONRFOCUUZGXQAO-UHFFFAOYSA-N 1 3 182.311 1.567 20 0 ADADHO CCN1CCC[C@@H]([NH+](C)C)CC1 306518115 167204749 /nfs/dbraw/zinc/20/47/49/167204749.db2.gz AXTWKLORECSGQV-SNVBAGLBSA-N 1 3 170.300 1.422 20 0 ADADHO CC[N@@H+]1CCC[C@@H](N(C)C)CC1 306518115 167204751 /nfs/dbraw/zinc/20/47/51/167204751.db2.gz AXTWKLORECSGQV-SNVBAGLBSA-N 1 3 170.300 1.422 20 0 ADADHO CC[N@H+]1CCC[C@@H](N(C)C)CC1 306518115 167204753 /nfs/dbraw/zinc/20/47/53/167204753.db2.gz AXTWKLORECSGQV-SNVBAGLBSA-N 1 3 170.300 1.422 20 0 ADADHO CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCNC1 68590723 167204911 /nfs/dbraw/zinc/20/49/11/167204911.db2.gz FLXCSEVIJPITAU-NEPJUHHUSA-N 1 3 196.338 1.860 20 0 ADADHO CC[N@H+]1CCCC[C@H]1[C@@H]1CCCNC1 68590723 167204917 /nfs/dbraw/zinc/20/49/17/167204917.db2.gz FLXCSEVIJPITAU-NEPJUHHUSA-N 1 3 196.338 1.860 20 0 ADADHO CCN1CCC[C@H]([C@@H](C)[NH3+])C1 37208394 167210379 /nfs/dbraw/zinc/21/03/79/167210379.db2.gz YOCWDKFYEAIGBL-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 37208395 167210406 /nfs/dbraw/zinc/21/04/06/167210406.db2.gz YOCWDKFYEAIGBL-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 336552722 167216827 /nfs/dbraw/zinc/21/68/27/167216827.db2.gz LXHWBIXVMMHVBA-GFCCVEGCSA-N 1 3 196.338 1.814 20 0 ADADHO CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 336552722 167216830 /nfs/dbraw/zinc/21/68/30/167216830.db2.gz LXHWBIXVMMHVBA-GFCCVEGCSA-N 1 3 196.338 1.814 20 0 ADADHO CCN1CC[C@@]2(CCC[N@H+](C)C2)C1 307670403 167217465 /nfs/dbraw/zinc/21/74/65/167217465.db2.gz QAOXDKWFBFUZHX-LLVKDONJSA-N 1 3 182.311 1.424 20 0 ADADHO CCN1CC[C@@]2(CCC[N@@H+](C)C2)C1 307670403 167217468 /nfs/dbraw/zinc/21/74/68/167217468.db2.gz QAOXDKWFBFUZHX-LLVKDONJSA-N 1 3 182.311 1.424 20 0 ADADHO CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 336616490 167218581 /nfs/dbraw/zinc/21/85/81/167218581.db2.gz ACJAWNWOHNUPAI-GHMZBOCLSA-N 1 3 182.311 1.422 20 0 ADADHO CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 336616490 167218583 /nfs/dbraw/zinc/21/85/83/167218583.db2.gz ACJAWNWOHNUPAI-GHMZBOCLSA-N 1 3 182.311 1.422 20 0 ADADHO CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 336616490 167218584 /nfs/dbraw/zinc/21/85/84/167218584.db2.gz ACJAWNWOHNUPAI-GHMZBOCLSA-N 1 3 182.311 1.422 20 0 ADADHO CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 336616490 167218586 /nfs/dbraw/zinc/21/85/86/167218586.db2.gz ACJAWNWOHNUPAI-GHMZBOCLSA-N 1 3 182.311 1.422 20 0 ADADHO CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 336616496 167218982 /nfs/dbraw/zinc/21/89/82/167218982.db2.gz ACJAWNWOHNUPAI-WDEREUQCSA-N 1 3 182.311 1.422 20 0 ADADHO CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 336616496 167218984 /nfs/dbraw/zinc/21/89/84/167218984.db2.gz ACJAWNWOHNUPAI-WDEREUQCSA-N 1 3 182.311 1.422 20 0 ADADHO CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 336616496 167218988 /nfs/dbraw/zinc/21/89/88/167218988.db2.gz ACJAWNWOHNUPAI-WDEREUQCSA-N 1 3 182.311 1.422 20 0 ADADHO CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 336616496 167218990 /nfs/dbraw/zinc/21/89/90/167218990.db2.gz ACJAWNWOHNUPAI-WDEREUQCSA-N 1 3 182.311 1.422 20 0 ADADHO CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 336552723 167222507 /nfs/dbraw/zinc/22/25/07/167222507.db2.gz LXHWBIXVMMHVBA-LBPRGKRZSA-N 1 3 196.338 1.814 20 0 ADADHO CC[N@H+]1CC[C@H](CN2CCCCC2)C1 336552723 167222509 /nfs/dbraw/zinc/22/25/09/167222509.db2.gz LXHWBIXVMMHVBA-LBPRGKRZSA-N 1 3 196.338 1.814 20 0 ADADHO CCN1CC[C@]2(CCC[N@H+](C)C2)C1 307670404 167223056 /nfs/dbraw/zinc/22/30/56/167223056.db2.gz QAOXDKWFBFUZHX-NSHDSACASA-N 1 3 182.311 1.424 20 0 ADADHO CCN1CC[C@]2(CCC[N@@H+](C)C2)C1 307670404 167223057 /nfs/dbraw/zinc/22/30/57/167223057.db2.gz QAOXDKWFBFUZHX-NSHDSACASA-N 1 3 182.311 1.424 20 0 ADADHO CC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 336616492 167225314 /nfs/dbraw/zinc/22/53/14/167225314.db2.gz ACJAWNWOHNUPAI-MNOVXSKESA-N 1 3 182.311 1.422 20 0 ADADHO CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 336616492 167225315 /nfs/dbraw/zinc/22/53/15/167225315.db2.gz ACJAWNWOHNUPAI-MNOVXSKESA-N 1 3 182.311 1.422 20 0 ADADHO CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 336616492 167225318 /nfs/dbraw/zinc/22/53/18/167225318.db2.gz ACJAWNWOHNUPAI-MNOVXSKESA-N 1 3 182.311 1.422 20 0 ADADHO CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 336616492 167225321 /nfs/dbraw/zinc/22/53/21/167225321.db2.gz ACJAWNWOHNUPAI-MNOVXSKESA-N 1 3 182.311 1.422 20 0 ADADHO CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 336616494 167225339 /nfs/dbraw/zinc/22/53/39/167225339.db2.gz ACJAWNWOHNUPAI-QWRGUYRKSA-N 1 3 182.311 1.422 20 0 ADADHO CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 336616494 167225342 /nfs/dbraw/zinc/22/53/42/167225342.db2.gz ACJAWNWOHNUPAI-QWRGUYRKSA-N 1 3 182.311 1.422 20 0 ADADHO CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 336616494 167225344 /nfs/dbraw/zinc/22/53/44/167225344.db2.gz ACJAWNWOHNUPAI-QWRGUYRKSA-N 1 3 182.311 1.422 20 0 ADADHO CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 336616494 167225346 /nfs/dbraw/zinc/22/53/46/167225346.db2.gz ACJAWNWOHNUPAI-QWRGUYRKSA-N 1 3 182.311 1.422 20 0 ADADHO CCN1C[C@@H]2CCC[C@H](C1)C2[NH3+] 32629145 167229188 /nfs/dbraw/zinc/22/91/88/167229188.db2.gz QPMVWSUNTYBPJE-ULKQDVFKSA-N 1 3 168.284 1.066 20 0 ADADHO CC[NH2+]C1CCN(CC2CCC2)CC1 37242464 167257608 /nfs/dbraw/zinc/25/76/08/167257608.db2.gz IBWGALQQYQCQFR-UHFFFAOYSA-N 1 3 196.338 1.860 20 0 ADADHO CC[NH2+]CCNC1CCCCCC1 44651717 167264516 /nfs/dbraw/zinc/26/45/16/167264516.db2.gz FJXULXBRRCTCOJ-UHFFFAOYSA-N 1 3 184.327 1.908 20 0 ADADHO CC[NH2+]CCNC(C1CC1)C1CC1 44651746 167267127 /nfs/dbraw/zinc/26/71/27/167267127.db2.gz IEWWVXAGJWHXIZ-UHFFFAOYSA-N 1 3 182.311 1.374 20 0 ADADHO CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 250621899 167290715 /nfs/dbraw/zinc/29/07/15/167290715.db2.gz JVCXUXRCEXHSLS-ZJUUUORDSA-N 1 3 168.284 1.223 20 0 ADADHO CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 250621899 167290717 /nfs/dbraw/zinc/29/07/17/167290717.db2.gz JVCXUXRCEXHSLS-ZJUUUORDSA-N 1 3 168.284 1.223 20 0 ADADHO CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 250621897 167301034 /nfs/dbraw/zinc/30/10/34/167301034.db2.gz JVCXUXRCEXHSLS-UWVGGRQHSA-N 1 3 168.284 1.223 20 0 ADADHO CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 250621897 167301037 /nfs/dbraw/zinc/30/10/37/167301037.db2.gz JVCXUXRCEXHSLS-UWVGGRQHSA-N 1 3 168.284 1.223 20 0 ADADHO CCN1CCC[C@H]([NH+](C)C)CC1 306518113 167208887 /nfs/dbraw/zinc/20/88/87/167208887.db2.gz AXTWKLORECSGQV-JTQLQIEISA-N 1 3 170.300 1.422 20 0 ADADHO CC[N@@H+]1CCC[C@H](N(C)C)CC1 306518113 167208888 /nfs/dbraw/zinc/20/88/88/167208888.db2.gz AXTWKLORECSGQV-JTQLQIEISA-N 1 3 170.300 1.422 20 0 ADADHO CC[N@H+]1CCC[C@H](N(C)C)CC1 306518113 167208891 /nfs/dbraw/zinc/20/88/91/167208891.db2.gz AXTWKLORECSGQV-JTQLQIEISA-N 1 3 170.300 1.422 20 0 ADADHO CC[C@@H]1CCCC[N@@H+]1CCCNC 42409491 167544866 /nfs/dbraw/zinc/54/48/66/167544866.db2.gz JLXYCVZSEQQJAP-LLVKDONJSA-N 1 3 184.327 1.860 20 0 ADADHO CC[C@@H]1CCCC[N@H+]1CCCNC 42409491 167544869 /nfs/dbraw/zinc/54/48/69/167544869.db2.gz JLXYCVZSEQQJAP-LLVKDONJSA-N 1 3 184.327 1.860 20 0 ADADHO CC[C@H]1CC[C@H]1[NH2+]C1CCNCC1 335450822 167689146 /nfs/dbraw/zinc/68/91/46/167689146.db2.gz BXRSPILFMFMUDT-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[NH2+]CCCN1CCC(C)(C)CC1 61821238 167993814 /nfs/dbraw/zinc/99/38/14/167993814.db2.gz AGKLSBRDZQYMTE-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CNC[C@@H]1CC[N@H+](CC2CCCC2)C1 53030988 168007349 /nfs/dbraw/zinc/00/73/49/168007349.db2.gz TYULKLYRASMGCC-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO CNC[C@@H]1CC[N@@H+](CC2CCCC2)C1 53030988 168007351 /nfs/dbraw/zinc/00/73/51/168007351.db2.gz TYULKLYRASMGCC-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO CNC[C@@H]1CC[N@H+](CCC(C)C)C1 11892096 168007425 /nfs/dbraw/zinc/00/74/25/168007425.db2.gz SRTGQYFLJWHQKC-NSHDSACASA-N 1 3 184.327 1.574 20 0 ADADHO CNC[C@@H]1CC[N@@H+](CCC(C)C)C1 11892096 168007428 /nfs/dbraw/zinc/00/74/28/168007428.db2.gz SRTGQYFLJWHQKC-NSHDSACASA-N 1 3 184.327 1.574 20 0 ADADHO C[NH2+]C[C@@H]1CCN(CCC(C)C)C1 11892096 168007429 /nfs/dbraw/zinc/00/74/29/168007429.db2.gz SRTGQYFLJWHQKC-NSHDSACASA-N 1 3 184.327 1.574 20 0 ADADHO CNC[C@@H]1CCC[N@@H+]1CC(C)C 39781765 168007447 /nfs/dbraw/zinc/00/74/47/168007447.db2.gz NLRRVTDJDXIEAM-JTQLQIEISA-N 1 3 170.300 1.326 20 0 ADADHO CNC[C@@H]1CCC[N@H+]1CC(C)C 39781765 168007449 /nfs/dbraw/zinc/00/74/49/168007449.db2.gz NLRRVTDJDXIEAM-JTQLQIEISA-N 1 3 170.300 1.326 20 0 ADADHO CNC[C@@H]1CCC[N@@H+]1CCC(C)C 39781769 168007496 /nfs/dbraw/zinc/00/74/96/168007496.db2.gz VHWJGDXJKBIUPE-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO CNC[C@@H]1CCC[N@H+]1CCC(C)C 39781769 168007497 /nfs/dbraw/zinc/00/74/97/168007497.db2.gz VHWJGDXJKBIUPE-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO C[NH2+]C[C@@H]1CCCN(CCC(C)C)C1 11888644 168007545 /nfs/dbraw/zinc/00/75/45/168007545.db2.gz PECFHQLRGSXEGS-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@@H]1CCC[N@H+](CCC(C)C)C1 11888644 168007547 /nfs/dbraw/zinc/00/75/47/168007547.db2.gz PECFHQLRGSXEGS-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@@H]1CCC[N@@H+](CCC(C)C)C1 11888644 168007549 /nfs/dbraw/zinc/00/75/49/168007549.db2.gz PECFHQLRGSXEGS-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@@H]1CC[N@H+](CC2CCC2)C1 53030950 168007624 /nfs/dbraw/zinc/00/76/24/168007624.db2.gz LYFLSWUSQPDZMK-NSHDSACASA-N 1 3 182.311 1.328 20 0 ADADHO CNC[C@@H]1CC[N@@H+](CC2CCC2)C1 53030950 168007625 /nfs/dbraw/zinc/00/76/25/168007625.db2.gz LYFLSWUSQPDZMK-NSHDSACASA-N 1 3 182.311 1.328 20 0 ADADHO CNC[C@@H]1CCC[N@H+](CC(C)C)C1 11888630 168007908 /nfs/dbraw/zinc/00/79/08/168007908.db2.gz LHPSNSDRNRCFDY-NSHDSACASA-N 1 3 184.327 1.574 20 0 ADADHO CNC[C@@H]1CCC[N@@H+](CC(C)C)C1 11888630 168007911 /nfs/dbraw/zinc/00/79/11/168007911.db2.gz LHPSNSDRNRCFDY-NSHDSACASA-N 1 3 184.327 1.574 20 0 ADADHO C[NH2+]C[C@@H]1CCCN(CC(C)C)C1 11888630 168007914 /nfs/dbraw/zinc/00/79/14/168007914.db2.gz LHPSNSDRNRCFDY-NSHDSACASA-N 1 3 184.327 1.574 20 0 ADADHO CNC[C@@H]1CCC[N@@H+]1CC1CC1 39781766 168008164 /nfs/dbraw/zinc/00/81/64/168008164.db2.gz RXHLTBXXSFKKCU-JTQLQIEISA-N 1 3 168.284 1.080 20 0 ADADHO CNC[C@@H]1CCC[N@H+]1CC1CC1 39781766 168008165 /nfs/dbraw/zinc/00/81/65/168008165.db2.gz RXHLTBXXSFKKCU-JTQLQIEISA-N 1 3 168.284 1.080 20 0 ADADHO CNC[C@H]1CCC[N@@H+]1CC(C)C 39781764 168012131 /nfs/dbraw/zinc/01/21/31/168012131.db2.gz NLRRVTDJDXIEAM-SNVBAGLBSA-N 1 3 170.300 1.326 20 0 ADADHO CNC[C@H]1CCC[N@H+]1CC(C)C 39781764 168012133 /nfs/dbraw/zinc/01/21/33/168012133.db2.gz NLRRVTDJDXIEAM-SNVBAGLBSA-N 1 3 170.300 1.326 20 0 ADADHO CNC[C@H]1CCC[N@@H+]1CCC(C)C 39781768 168012182 /nfs/dbraw/zinc/01/21/82/168012182.db2.gz VHWJGDXJKBIUPE-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CNC[C@H]1CCC[N@H+]1CCC(C)C 39781768 168012186 /nfs/dbraw/zinc/01/21/86/168012186.db2.gz VHWJGDXJKBIUPE-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO CNC[C@H]1CCC[N@@H+]1CC1CC1 39781767 168012409 /nfs/dbraw/zinc/01/24/09/168012409.db2.gz RXHLTBXXSFKKCU-SNVBAGLBSA-N 1 3 168.284 1.080 20 0 ADADHO CNC[C@H]1CCC[N@H+]1CC1CC1 39781767 168012410 /nfs/dbraw/zinc/01/24/10/168012410.db2.gz RXHLTBXXSFKKCU-SNVBAGLBSA-N 1 3 168.284 1.080 20 0 ADADHO C[NH2+]C[C@H]1CCCN(CCC(C)C)C1 11888647 168012779 /nfs/dbraw/zinc/01/27/79/168012779.db2.gz PECFHQLRGSXEGS-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@H]1CCC[N@H+](CCC(C)C)C1 11888647 168012780 /nfs/dbraw/zinc/01/27/80/168012780.db2.gz PECFHQLRGSXEGS-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@H]1CCC[N@@H+](CCC(C)C)C1 11888647 168012784 /nfs/dbraw/zinc/01/27/84/168012784.db2.gz PECFHQLRGSXEGS-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@H]1CCC[N@H+](CC(C)C)C1 11888633 168013036 /nfs/dbraw/zinc/01/30/36/168013036.db2.gz LHPSNSDRNRCFDY-LLVKDONJSA-N 1 3 184.327 1.574 20 0 ADADHO CNC[C@H]1CCC[N@@H+](CC(C)C)C1 11888633 168013039 /nfs/dbraw/zinc/01/30/39/168013039.db2.gz LHPSNSDRNRCFDY-LLVKDONJSA-N 1 3 184.327 1.574 20 0 ADADHO C[NH2+]C[C@H]1CCCN(CC(C)C)C1 11888633 168013040 /nfs/dbraw/zinc/01/30/40/168013040.db2.gz LHPSNSDRNRCFDY-LLVKDONJSA-N 1 3 184.327 1.574 20 0 ADADHO CNC[C@H]1CC[N@H+](CCC(C)C)C1 11892100 168013867 /nfs/dbraw/zinc/01/38/67/168013867.db2.gz SRTGQYFLJWHQKC-LLVKDONJSA-N 1 3 184.327 1.574 20 0 ADADHO CNC[C@H]1CC[N@@H+](CCC(C)C)C1 11892100 168013868 /nfs/dbraw/zinc/01/38/68/168013868.db2.gz SRTGQYFLJWHQKC-LLVKDONJSA-N 1 3 184.327 1.574 20 0 ADADHO C[NH2+]C[C@H]1CCN(CCC(C)C)C1 11892100 168013869 /nfs/dbraw/zinc/01/38/69/168013869.db2.gz SRTGQYFLJWHQKC-LLVKDONJSA-N 1 3 184.327 1.574 20 0 ADADHO CNC[C@H]1CC[N@H+](CC2CCCC2)C1 53030989 168014086 /nfs/dbraw/zinc/01/40/86/168014086.db2.gz TYULKLYRASMGCC-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CNC[C@H]1CC[N@@H+](CC2CCCC2)C1 53030989 168014088 /nfs/dbraw/zinc/01/40/88/168014088.db2.gz TYULKLYRASMGCC-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CNC[C@H]1CC[N@H+](CC2CCC2)C1 53030951 168014344 /nfs/dbraw/zinc/01/43/44/168014344.db2.gz LYFLSWUSQPDZMK-LLVKDONJSA-N 1 3 182.311 1.328 20 0 ADADHO CNC[C@H]1CC[N@@H+](CC2CCC2)C1 53030951 168014346 /nfs/dbraw/zinc/01/43/46/168014346.db2.gz LYFLSWUSQPDZMK-LLVKDONJSA-N 1 3 182.311 1.328 20 0 ADADHO CN[C@@H]1CC[N@H+](CC2CCCCC2)C1 37259763 168042719 /nfs/dbraw/zinc/04/27/19/168042719.db2.gz HYROWOKMBIYQJD-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO CN[C@@H]1CC[N@@H+](CC2CCCCC2)C1 37259763 168042722 /nfs/dbraw/zinc/04/27/22/168042722.db2.gz HYROWOKMBIYQJD-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO CN[C@@H]1CC[N@H+](CC2CCCC2)C1 37258661 168043928 /nfs/dbraw/zinc/04/39/28/168043928.db2.gz VESFNGJKVIOFDG-LLVKDONJSA-N 1 3 182.311 1.470 20 0 ADADHO CN[C@@H]1CC[N@@H+](CC2CCCC2)C1 37258661 168043929 /nfs/dbraw/zinc/04/39/29/168043929.db2.gz VESFNGJKVIOFDG-LLVKDONJSA-N 1 3 182.311 1.470 20 0 ADADHO CN[C@H]1CC[N@H+](CC2CCCCC2)C1 37259765 168057129 /nfs/dbraw/zinc/05/71/29/168057129.db2.gz HYROWOKMBIYQJD-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO CN[C@H]1CC[N@@H+](CC2CCCCC2)C1 37259765 168057130 /nfs/dbraw/zinc/05/71/30/168057130.db2.gz HYROWOKMBIYQJD-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO CN[C@H]1CC[N@H+](CC2CCCC2)C1 37258663 168057526 /nfs/dbraw/zinc/05/75/26/168057526.db2.gz VESFNGJKVIOFDG-NSHDSACASA-N 1 3 182.311 1.470 20 0 ADADHO CN[C@H]1CC[N@@H+](CC2CCCC2)C1 37258663 168057527 /nfs/dbraw/zinc/05/75/27/168057527.db2.gz VESFNGJKVIOFDG-NSHDSACASA-N 1 3 182.311 1.470 20 0 ADADHO C[C@@H](C1CC1)[N@H+](C)C[C@@H]1CCCNC1 36785618 168331513 /nfs/dbraw/zinc/33/15/13/168331513.db2.gz REDAFIKCWZJBGC-WDEREUQCSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CCCNC1 36785618 168331514 /nfs/dbraw/zinc/33/15/14/168331514.db2.gz REDAFIKCWZJBGC-WDEREUQCSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H](CN)C[NH2+]C1CCCC1 11804614 168342735 /nfs/dbraw/zinc/34/27/35/168342735.db2.gz CYGWVBBZOVLAMH-QMMMGPOBSA-N 1 3 156.273 1.113 20 0 ADADHO C[C@@H](CN)C[NH2+]C1CCCCCC1 11804678 168342912 /nfs/dbraw/zinc/34/29/12/168342912.db2.gz GJELSHXSQPTZSS-JTQLQIEISA-N 1 3 184.327 1.894 20 0 ADADHO C[C@@H](CN)C[NH2+]C1CCCCC1 11804620 168343698 /nfs/dbraw/zinc/34/36/98/168343698.db2.gz KDJHADZNQZHIIR-VIFPVBQESA-N 1 3 170.300 1.504 20 0 ADADHO C[C@@H](N(C)C[C@@H]1CC[NH2+]C1)C(C)(C)C 51889858 168355728 /nfs/dbraw/zinc/35/57/28/168355728.db2.gz GMTZSDFPTPBOQC-GHMZBOCLSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H]([N@H+](C)CCCN)C(C)(C)C 42739336 168356546 /nfs/dbraw/zinc/35/65/46/168356546.db2.gz CJNJSZJDGTWRQT-SECBINFHSA-N 1 3 172.316 1.702 20 0 ADADHO C[C@@H]([N@@H+](C)CCCN)C(C)(C)C 42739336 168356547 /nfs/dbraw/zinc/35/65/47/168356547.db2.gz CJNJSZJDGTWRQT-SECBINFHSA-N 1 3 172.316 1.702 20 0 ADADHO C[C@@H](N(C)CCC[NH3+])C(C)(C)C 42739336 168356548 /nfs/dbraw/zinc/35/65/48/168356548.db2.gz CJNJSZJDGTWRQT-SECBINFHSA-N 1 3 172.316 1.702 20 0 ADADHO C[C@@H](N)C[NH2+]Cc1ccccc1 38885764 168365114 /nfs/dbraw/zinc/36/51/14/168365114.db2.gz QEXJEJPSPOSZIS-SECBINFHSA-N 1 3 164.252 1.123 20 0 ADADHO C[C@@H]([NH2+]C1CCCCCC1)C1CNC1 335042681 168378776 /nfs/dbraw/zinc/37/87/76/168378776.db2.gz UIHQTZKYYDHLHK-SNVBAGLBSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+]C1CCCCC1)C1CNC1 335026352 168378927 /nfs/dbraw/zinc/37/89/27/168378927.db2.gz ZJRATETVSOLFKU-SECBINFHSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]([NH2+]C1CCCC1)[C@@H]1CCCNC1 129790466 168379508 /nfs/dbraw/zinc/37/95/08/168379508.db2.gz YVVPLAJPUDVXSU-GHMZBOCLSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+]C1CCNCC1)C1CCC1 123947527 168379659 /nfs/dbraw/zinc/37/96/59/168379659.db2.gz ZQRUROPSYFREIE-SECBINFHSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]([NH2+]C1CCCC1)[C@H]1CCCNC1 129790869 168379822 /nfs/dbraw/zinc/37/98/22/168379822.db2.gz YVVPLAJPUDVXSU-MNOVXSKESA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+]CCN)c1cccc(F)c1 37712560 168380354 /nfs/dbraw/zinc/38/03/54/168380354.db2.gz CDRYNHDNGYTXFZ-MRVPVSSYSA-N 1 3 182.242 1.435 20 0 ADADHO C[C@@H]([NH2+]CCCN)C1CCCCC1 37713758 168380572 /nfs/dbraw/zinc/38/05/72/168380572.db2.gz ASPJVFBKAWYDME-SNVBAGLBSA-N 1 3 184.327 1.894 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C1CNC1 335028950 168383471 /nfs/dbraw/zinc/38/34/71/168383471.db2.gz KDYRHFXIAYSEMZ-MWLCHTKSSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C1CNC1 335017871 168383731 /nfs/dbraw/zinc/38/37/31/168383731.db2.gz PAAKYATYJWRMGF-PSASIEDQSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H](N[C@@H]1CCC[NH2+]C1)C1CC1 43325500 168384475 /nfs/dbraw/zinc/38/44/75/168384475.db2.gz FQUXLIXXFVRKTK-PSASIEDQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H](N[C@H]1CCC[NH2+]C1)C1CC1 43325503 168384919 /nfs/dbraw/zinc/38/49/19/168384919.db2.gz FQUXLIXXFVRKTK-SCZZXKLOSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCNC1)C1CCC1 123954812 168385243 /nfs/dbraw/zinc/38/52/43/168385243.db2.gz GFJYAEPTNLOQPG-PSASIEDQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCNC1)C(C)(C)C 162670143 168385784 /nfs/dbraw/zinc/38/57/84/168385784.db2.gz LIRWSJILOOLLFQ-RKDXNWHRSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCNC1)C1CCC1 123955292 168385834 /nfs/dbraw/zinc/38/58/34/168385834.db2.gz GFJYAEPTNLOQPG-SCZZXKLOSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCNC1)C(C)(C)C 162670331 168385998 /nfs/dbraw/zinc/38/59/98/168385998.db2.gz LIRWSJILOOLLFQ-BDAKNGLRSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCC1(C)C)C1CNC1 335017872 168386305 /nfs/dbraw/zinc/38/63/05/168386305.db2.gz PAAKYATYJWRMGF-SCZZXKLOSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCCC1(C)C)C1CNC1 335028948 168386416 /nfs/dbraw/zinc/38/64/16/168386416.db2.gz KDYRHFXIAYSEMZ-KOLCDFICSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCC1 335043082 168434350 /nfs/dbraw/zinc/43/43/50/168434350.db2.gz MRRDWHYJRQMFTQ-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCCC1 335037294 168434580 /nfs/dbraw/zinc/43/45/80/168434580.db2.gz CAJZMCNMCTXEML-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CN(CCC[NH3+])C[C@@H](C)S1 69908138 168451386 /nfs/dbraw/zinc/45/13/86/168451386.db2.gz DYIJFTHEJNTVBL-RKDXNWHRSA-N 1 3 188.340 1.161 20 0 ADADHO C[C@H](N)CC[NH2+]C1CCCC1 40408959 168547330 /nfs/dbraw/zinc/54/73/30/168547330.db2.gz LTPRYHYUSGRKRI-QMMMGPOBSA-N 1 3 156.273 1.256 20 0 ADADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CC1 335488887 168620011 /nfs/dbraw/zinc/62/00/11/168620011.db2.gz RFRYNHLHUGSVRP-ONGXEEELSA-N 1 3 182.311 1.374 20 0 ADADHO FCCCN1CC[C@]2(CC[NH2+]C2)C1 307213734 169077966 /nfs/dbraw/zinc/07/79/66/169077966.db2.gz YLGMZGYBEJTDBL-JTQLQIEISA-N 1 3 186.274 1.031 20 0 ADADHO FCCCN1CC[C@@]2(CC[NH2+]C2)C1 307213735 169078350 /nfs/dbraw/zinc/07/83/50/169078350.db2.gz YLGMZGYBEJTDBL-SNVBAGLBSA-N 1 3 186.274 1.031 20 0 ADADHO NC[C@H]1CC[N@H+](CC2CCC2)C1 37180752 169216672 /nfs/dbraw/zinc/21/66/72/169216672.db2.gz NZPSVXKWNHPNLS-SNVBAGLBSA-N 1 3 168.284 1.067 20 0 ADADHO NC[C@H]1CC[N@@H+](CC2CCC2)C1 37180752 169216673 /nfs/dbraw/zinc/21/66/73/169216673.db2.gz NZPSVXKWNHPNLS-SNVBAGLBSA-N 1 3 168.284 1.067 20 0 ADADHO NC1C[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC1 38343302 169173483 /nfs/dbraw/zinc/17/34/83/169173483.db2.gz XVNCEYGZCTXFSZ-FGWVZKOKSA-N 1 3 180.295 1.351 20 0 ADADHO NC1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 38343302 169173485 /nfs/dbraw/zinc/17/34/85/169173485.db2.gz XVNCEYGZCTXFSZ-FGWVZKOKSA-N 1 3 180.295 1.351 20 0 ADADHO NC1C[C@@H]2CC[C@H](C1)[N@@H+]2C1CC1 38343301 169173914 /nfs/dbraw/zinc/17/39/14/169173914.db2.gz AVEFUDNRJSXHMV-RSMPGPOFSA-N 1 3 166.268 1.103 20 0 in-vitro ADADHO NC1C[C@@H]2CC[C@H](C1)[N@H+]2C1CC1 38343301 169173916 /nfs/dbraw/zinc/17/39/16/169173916.db2.gz AVEFUDNRJSXHMV-RSMPGPOFSA-N 1 3 166.268 1.103 20 0 in-vitro ADADHO NCCC[N@@H+]1CCC2(CCC2)C1 307490003 169182084 /nfs/dbraw/zinc/18/20/84/169182084.db2.gz XRAJSNOGEXMIPB-UHFFFAOYSA-N 1 3 168.284 1.211 20 0 ADADHO NCCC[N@H+]1CCC2(CCC2)C1 307490003 169182085 /nfs/dbraw/zinc/18/20/85/169182085.db2.gz XRAJSNOGEXMIPB-UHFFFAOYSA-N 1 3 168.284 1.211 20 0 ADADHO NCCC[N@@H+]1CCC[C@@H]1C1CCCC1 45069257 169182205 /nfs/dbraw/zinc/18/22/05/169182205.db2.gz ZLDUXAAJMASGOF-GFCCVEGCSA-N 1 3 196.338 1.990 20 0 ADADHO NCCC[N@H+]1CCC[C@@H]1C1CCCC1 45069257 169182206 /nfs/dbraw/zinc/18/22/06/169182206.db2.gz ZLDUXAAJMASGOF-GFCCVEGCSA-N 1 3 196.338 1.990 20 0 ADADHO [NH3+]CCCN1CCCC2(CC2)C1 334833700 169182266 /nfs/dbraw/zinc/18/22/66/169182266.db2.gz SEWXJAUVMRRHPB-UHFFFAOYSA-N 1 3 168.284 1.211 20 0 ADADHO NCCC[N@@H+]1CCCC2(CC2)C1 334833700 169182268 /nfs/dbraw/zinc/18/22/68/169182268.db2.gz SEWXJAUVMRRHPB-UHFFFAOYSA-N 1 3 168.284 1.211 20 0 ADADHO NCCC[N@H+]1CCCC2(CC2)C1 334833700 169182270 /nfs/dbraw/zinc/18/22/70/169182270.db2.gz SEWXJAUVMRRHPB-UHFFFAOYSA-N 1 3 168.284 1.211 20 0 ADADHO NCCC[N@@H+]1CCCC2(CCCC2)C1 334883734 169182297 /nfs/dbraw/zinc/18/22/97/169182297.db2.gz ZAQBTXYYBZTWOB-UHFFFAOYSA-N 1 3 196.338 1.991 20 0 ADADHO NCCC[N@H+]1CCCC2(CCCC2)C1 334883734 169182298 /nfs/dbraw/zinc/18/22/98/169182298.db2.gz ZAQBTXYYBZTWOB-UHFFFAOYSA-N 1 3 196.338 1.991 20 0 ADADHO NCCC[NH+]1CCCCCCC1 20265954 169182686 /nfs/dbraw/zinc/18/26/86/169182686.db2.gz PUERMNJMSWRKQG-UHFFFAOYSA-N 1 3 170.300 1.601 20 0 ADADHO [NH3+]CCCCNCc1ccccc1F 37715052 169182879 /nfs/dbraw/zinc/18/28/79/169182879.db2.gz NJKNJWFJAWOAEV-UHFFFAOYSA-N 1 3 196.269 1.654 20 0 ADADHO [NH3+]CCCN1CCC[C@H]2CCC[C@@H]21 227159858 169182891 /nfs/dbraw/zinc/18/28/91/169182891.db2.gz ZTWSYKDOICDLNN-MNOVXSKESA-N 1 3 182.311 1.600 20 0 ADADHO [NH3+]CCCN1CCC[C@@H]2CCC[C@@H]21 227159852 169183022 /nfs/dbraw/zinc/18/30/22/169183022.db2.gz ZTWSYKDOICDLNN-QWRGUYRKSA-N 1 3 182.311 1.600 20 0 ADADHO NCCC[N@@H+]1CCC[C@H]1C1CCCC1 45069254 169183090 /nfs/dbraw/zinc/18/30/90/169183090.db2.gz ZLDUXAAJMASGOF-LBPRGKRZSA-N 1 3 196.338 1.990 20 0 ADADHO NCCC[N@H+]1CCC[C@H]1C1CCCC1 45069254 169183091 /nfs/dbraw/zinc/18/30/91/169183091.db2.gz ZLDUXAAJMASGOF-LBPRGKRZSA-N 1 3 196.338 1.990 20 0 ADADHO NCCC[N@@H+]1C[C@H]2CCCC[C@H]2C1 307194677 169183132 /nfs/dbraw/zinc/18/31/32/169183132.db2.gz JWWBAMHPRDHURH-PHIMTYICSA-N 1 3 182.311 1.457 20 0 ADADHO NCCC[N@H+]1C[C@H]2CCCC[C@H]2C1 307194677 169183133 /nfs/dbraw/zinc/18/31/33/169183133.db2.gz JWWBAMHPRDHURH-PHIMTYICSA-N 1 3 182.311 1.457 20 0 ADADHO [NH3+]CCCN[C@H]1CCc2ccccc21 1544538 169183276 /nfs/dbraw/zinc/18/32/76/169183276.db2.gz ASFPKJYQYFMMAU-LBPRGKRZSA-N 1 3 190.290 1.612 20 0 ADADHO NCCC[N@@H+]1CC[C@H]2CCC[C@H]21 306167969 169183339 /nfs/dbraw/zinc/18/33/39/169183339.db2.gz IISAHPIZTHAUBP-NXEZZACHSA-N 1 3 168.284 1.210 20 0 ADADHO NCCC[N@H+]1CC[C@H]2CCC[C@H]21 306167969 169183340 /nfs/dbraw/zinc/18/33/40/169183340.db2.gz IISAHPIZTHAUBP-NXEZZACHSA-N 1 3 168.284 1.210 20 0 ADADHO NCCC[N@@H+]1CC[C@H]2CCC[C@@H]21 306167977 169183766 /nfs/dbraw/zinc/18/37/66/169183766.db2.gz IISAHPIZTHAUBP-ZJUUUORDSA-N 1 3 168.284 1.210 20 0 ADADHO NCCC[N@H+]1CC[C@H]2CCC[C@@H]21 306167977 169183768 /nfs/dbraw/zinc/18/37/68/169183768.db2.gz IISAHPIZTHAUBP-ZJUUUORDSA-N 1 3 168.284 1.210 20 0 ADADHO NCCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 306167971 169183822 /nfs/dbraw/zinc/18/38/22/169183822.db2.gz IISAHPIZTHAUBP-UWVGGRQHSA-N 1 3 168.284 1.210 20 0 ADADHO NCCC[N@H+]1CC[C@@H]2CCC[C@@H]21 306167971 169183823 /nfs/dbraw/zinc/18/38/23/169183823.db2.gz IISAHPIZTHAUBP-UWVGGRQHSA-N 1 3 168.284 1.210 20 0 ADADHO NCCC[NH+]1C[C@@H]2CCC[C@H]2C1 122482871 169183843 /nfs/dbraw/zinc/18/38/43/169183843.db2.gz WJOKJBRXAWVBIZ-UWVGGRQHSA-N 1 3 168.284 1.067 20 0 ADADHO NCCC[N@@H+]1CC[C@@H]2CCC[C@H]21 306167974 169183858 /nfs/dbraw/zinc/18/38/58/169183858.db2.gz IISAHPIZTHAUBP-VHSXEESVSA-N 1 3 168.284 1.210 20 0 ADADHO NCCC[N@H+]1CC[C@@H]2CCC[C@H]21 306167974 169183860 /nfs/dbraw/zinc/18/38/60/169183860.db2.gz IISAHPIZTHAUBP-VHSXEESVSA-N 1 3 168.284 1.210 20 0 ADADHO NCCC[N@H+]1C[C@H]2CCC[C@H]2C1 122482653 169183893 /nfs/dbraw/zinc/18/38/93/169183893.db2.gz WJOKJBRXAWVBIZ-AOOOYVTPSA-N 1 3 168.284 1.067 20 0 ADADHO NCCC[N@@H+]1C[C@H]2CCC[C@H]2C1 122482653 169183894 /nfs/dbraw/zinc/18/38/94/169183894.db2.gz WJOKJBRXAWVBIZ-AOOOYVTPSA-N 1 3 168.284 1.067 20 0 ADADHO NCCC[NH+]1C[C@H]2CCC[C@@H]2C1 122483115 169184126 /nfs/dbraw/zinc/18/41/26/169184126.db2.gz WJOKJBRXAWVBIZ-NXEZZACHSA-N 1 3 168.284 1.067 20 0 ADADHO [NH3+]CCCN[C@@H]1CCc2ccccc21 3936611 169184182 /nfs/dbraw/zinc/18/41/82/169184182.db2.gz ASFPKJYQYFMMAU-GFCCVEGCSA-N 1 3 190.290 1.612 20 0 ADADHO NCCC[NH2+]C1CCCCCC1 37713096 169184205 /nfs/dbraw/zinc/18/42/05/169184205.db2.gz SURHPLJXIYBEAY-UHFFFAOYSA-N 1 3 170.300 1.648 20 0 ADADHO NCCC[NH2+]CCc1ccccc1 37713127 169184245 /nfs/dbraw/zinc/18/42/45/169184245.db2.gz YFQPICDSUBYACX-UHFFFAOYSA-N 1 3 178.279 1.168 20 0 ADADHO [NH3+]CCCNCCc1ccccc1 37713127 169184246 /nfs/dbraw/zinc/18/42/46/169184246.db2.gz YFQPICDSUBYACX-UHFFFAOYSA-N 1 3 178.279 1.168 20 0 ADADHO NCC[N@@H+]1CCCc2ccccc2C1 38523602 169187023 /nfs/dbraw/zinc/18/70/23/169187023.db2.gz ACWUXVPGZZJBSE-UHFFFAOYSA-N 1 3 190.290 1.394 20 0 ADADHO NCC[N@H+]1CCCc2ccccc2C1 38523602 169187024 /nfs/dbraw/zinc/18/70/24/169187024.db2.gz ACWUXVPGZZJBSE-UHFFFAOYSA-N 1 3 190.290 1.394 20 0 ADADHO [NH3+]CCN[C@@H]1CCc2ccccc2C1 37712960 169190633 /nfs/dbraw/zinc/19/06/33/169190633.db2.gz YANJOBJMHFAXJW-GFCCVEGCSA-N 1 3 190.290 1.092 20 0 ADADHO [NH3+]CCNCCc1ccc(Cl)cc1 19732697 169191008 /nfs/dbraw/zinc/19/10/08/169191008.db2.gz SASUHQRPFWSVKI-UHFFFAOYSA-N 1 3 198.697 1.431 20 0 ADADHO [NH3+]CCN[C@H]1CCc2ccccc2C1 37712959 169191219 /nfs/dbraw/zinc/19/12/19/169191219.db2.gz YANJOBJMHFAXJW-LBPRGKRZSA-N 1 3 190.290 1.092 20 0 ADADHO NC[C@@H]1CC[N@H+](CC2CCCC2)C1 37258690 169207522 /nfs/dbraw/zinc/20/75/22/169207522.db2.gz OZOJVLPABFQBIO-NSHDSACASA-N 1 3 182.311 1.457 20 0 ADADHO NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 37258690 169207524 /nfs/dbraw/zinc/20/75/24/169207524.db2.gz OZOJVLPABFQBIO-NSHDSACASA-N 1 3 182.311 1.457 20 0 ADADHO NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 42375055 169207551 /nfs/dbraw/zinc/20/75/51/169207551.db2.gz CJOMDRKSCSVNDO-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 42375055 169207552 /nfs/dbraw/zinc/20/75/52/169207552.db2.gz CJOMDRKSCSVNDO-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 37741416 169207975 /nfs/dbraw/zinc/20/79/75/169207975.db2.gz DMYMHALOUBEMPU-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 37741416 169207977 /nfs/dbraw/zinc/20/79/77/169207977.db2.gz DMYMHALOUBEMPU-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 37259787 169208111 /nfs/dbraw/zinc/20/81/11/169208111.db2.gz ZIQFNXXYWCUIGE-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 37259787 169208112 /nfs/dbraw/zinc/20/81/12/169208112.db2.gz ZIQFNXXYWCUIGE-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@@H]1CC[N@H+](CC2CCC2)C1 37180754 169208648 /nfs/dbraw/zinc/20/86/48/169208648.db2.gz NZPSVXKWNHPNLS-JTQLQIEISA-N 1 3 168.284 1.067 20 0 ADADHO NC[C@@H]1CC[N@@H+](CC2CCC2)C1 37180754 169208649 /nfs/dbraw/zinc/20/86/49/169208649.db2.gz NZPSVXKWNHPNLS-JTQLQIEISA-N 1 3 168.284 1.067 20 0 ADADHO NC[C@H]1CCC[N@H+](CC2CCCC2)C1 42375054 169215464 /nfs/dbraw/zinc/21/54/64/169215464.db2.gz CJOMDRKSCSVNDO-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 42375054 169215465 /nfs/dbraw/zinc/21/54/65/169215465.db2.gz CJOMDRKSCSVNDO-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@H]1CC[N@H+](CCC2CCCC2)C1 37741415 169215717 /nfs/dbraw/zinc/21/57/17/169215717.db2.gz DMYMHALOUBEMPU-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 37741415 169215718 /nfs/dbraw/zinc/21/57/18/169215718.db2.gz DMYMHALOUBEMPU-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@H]1CC[N@H+](CC2CCCCC2)C1 37259785 169215942 /nfs/dbraw/zinc/21/59/42/169215942.db2.gz ZIQFNXXYWCUIGE-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 37259785 169215944 /nfs/dbraw/zinc/21/59/44/169215944.db2.gz ZIQFNXXYWCUIGE-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@H]1CC[N@H+](CC2CCCC2)C1 37258688 169216065 /nfs/dbraw/zinc/21/60/65/169216065.db2.gz OZOJVLPABFQBIO-LLVKDONJSA-N 1 3 182.311 1.457 20 0 ADADHO NC[C@H]1CC[N@@H+](CC2CCCC2)C1 37258688 169216067 /nfs/dbraw/zinc/21/60/67/169216067.db2.gz OZOJVLPABFQBIO-LLVKDONJSA-N 1 3 182.311 1.457 20 0 ADADHO NCc1ccc(-[n+]2ccccc2)cc1 199208058 169221884 /nfs/dbraw/zinc/22/18/84/169221884.db2.gz ZTMFIWMLLGZIMR-UHFFFAOYSA-N 1 3 185.250 1.422 20 0 ADADHO [NH3+][C@@H]1CCCCC[C@H]1NC1CC1 335037350 169252279 /nfs/dbraw/zinc/25/22/79/169252279.db2.gz CKLLKLDENACSJW-NXEZZACHSA-N 1 3 168.284 1.398 20 0 ADADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CC1 335037357 169252435 /nfs/dbraw/zinc/25/24/35/169252435.db2.gz CKLLKLDENACSJW-ZJUUUORDSA-N 1 3 168.284 1.398 20 0 ADADHO [NH3+][C@H]1CCCCC[C@@H]1NC1CC1 335037352 169272125 /nfs/dbraw/zinc/27/21/25/169272125.db2.gz CKLLKLDENACSJW-UWVGGRQHSA-N 1 3 168.284 1.398 20 0 ADADHO [NH3+][C@H]1CCCCC[C@H]1NC1CC1 335037355 169272682 /nfs/dbraw/zinc/27/26/82/169272682.db2.gz CKLLKLDENACSJW-VHSXEESVSA-N 1 3 168.284 1.398 20 0 ADADHO Cc1ccccc1[C@@H](C)NCCC[NH3+] 37713291 171037148 /nfs/dbraw/zinc/03/71/48/171037148.db2.gz SBTIYKAWZDNJIV-LLVKDONJSA-N 1 3 192.306 1.994 20 0 ADADHO C[N@@H+]1CCCC[C@H]1[C@@H]1CCCNC1 68590715 171104763 /nfs/dbraw/zinc/10/47/63/171104763.db2.gz PWSJAIIKSWLWET-MNOVXSKESA-N 1 3 182.311 1.470 20 0 ADADHO C[N@H+]1CCCC[C@H]1[C@@H]1CCCNC1 68590715 171104764 /nfs/dbraw/zinc/10/47/64/171104764.db2.gz PWSJAIIKSWLWET-MNOVXSKESA-N 1 3 182.311 1.470 20 0 ADADHO CN1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 68590715 171104765 /nfs/dbraw/zinc/10/47/65/171104765.db2.gz PWSJAIIKSWLWET-MNOVXSKESA-N 1 3 182.311 1.470 20 0 ADADHO C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCNC1 68590711 171104871 /nfs/dbraw/zinc/10/48/71/171104871.db2.gz PWSJAIIKSWLWET-GHMZBOCLSA-N 1 3 182.311 1.470 20 0 ADADHO C[N@H+]1CCCC[C@@H]1[C@@H]1CCCNC1 68590711 171104873 /nfs/dbraw/zinc/10/48/73/171104873.db2.gz PWSJAIIKSWLWET-GHMZBOCLSA-N 1 3 182.311 1.470 20 0 ADADHO CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 68590711 171104874 /nfs/dbraw/zinc/10/48/74/171104874.db2.gz PWSJAIIKSWLWET-GHMZBOCLSA-N 1 3 182.311 1.470 20 0 ADADHO [NH3+]C1CCN(CCC2CCCC2)CC1 37741400 171153213 /nfs/dbraw/zinc/15/32/13/171153213.db2.gz XWSSPNNWJZTREW-UHFFFAOYSA-N 1 3 196.338 1.990 20 0 ADADHO CC[C@@H]1CCN(CC(C)(C)[NH3+])C1 108289093 171167343 /nfs/dbraw/zinc/16/73/43/171167343.db2.gz SAKXPAXDGCDMDK-SECBINFHSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 108307280 171167553 /nfs/dbraw/zinc/16/75/53/171167553.db2.gz HBQVBIPKJCMHEJ-VXGBXAGGSA-N 1 3 196.338 1.718 20 0 ADADHO CC[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 108307280 171167556 /nfs/dbraw/zinc/16/75/56/171167556.db2.gz HBQVBIPKJCMHEJ-VXGBXAGGSA-N 1 3 196.338 1.718 20 0 ADADHO CC[C@@H]1CCN(C[C@@H](C)[NH3+])C1 108283783 171167768 /nfs/dbraw/zinc/16/77/68/171167768.db2.gz OSRYYMOOXMXUEM-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@H]1CC2(CCC2)CN1CC(C)(C)[NH3+] 306930825 171177643 /nfs/dbraw/zinc/17/76/43/171177643.db2.gz BXSXICJJXKJNSV-SNVBAGLBSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H]1CC2(CCC2)CN1CC(C)(C)[NH3+] 306930824 171178345 /nfs/dbraw/zinc/17/83/45/171178345.db2.gz BXSXICJJXKJNSV-JTQLQIEISA-N 1 3 196.338 1.988 20 0 ADADHO CCN(CC)CC1(C[NH3+])CCC1 58082618 171182292 /nfs/dbraw/zinc/18/22/92/171182292.db2.gz QUCMGAJJYARURG-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO C[C@H]1CCSCCN1CCC[NH3+] 306643554 171214231 /nfs/dbraw/zinc/21/42/31/171214231.db2.gz XAKWKPAUVJRROA-VIFPVBQESA-N 1 3 188.340 1.163 20 0 ADADHO C[C@H]1CCSCC[N@@H+]1CCCN 306643554 171214233 /nfs/dbraw/zinc/21/42/33/171214233.db2.gz XAKWKPAUVJRROA-VIFPVBQESA-N 1 3 188.340 1.163 20 0 ADADHO C[C@H]1CCSCC[N@H+]1CCCN 306643554 171214234 /nfs/dbraw/zinc/21/42/34/171214234.db2.gz XAKWKPAUVJRROA-VIFPVBQESA-N 1 3 188.340 1.163 20 0 ADADHO CC[C@@H]1CCC[C@H]1[NH2+]C1CCNCC1 307725125 171216735 /nfs/dbraw/zinc/21/67/35/171216735.db2.gz BKLNDPZARDDXTF-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1N 157896960 344116372 /nfs/dbraw/zinc/11/63/72/344116372.db2.gz GTWCRTSXUAATIE-MNOVXSKESA-N 1 3 182.311 1.456 20 0 ADADHO CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 158634390 344130130 /nfs/dbraw/zinc/13/01/30/344130130.db2.gz JVCXUXRCEXHSLS-VHSXEESVSA-N 1 3 168.284 1.223 20 0 ADADHO CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 158634390 344130131 /nfs/dbraw/zinc/13/01/31/344130131.db2.gz JVCXUXRCEXHSLS-VHSXEESVSA-N 1 3 168.284 1.223 20 0 ADADHO C[C@@H]([NH2+]C1CCNCC1)C(C)(C)C 162709650 344212318 /nfs/dbraw/zinc/21/23/18/344212318.db2.gz ZJUFDZDMBWKPNI-SECBINFHSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)C[N@@H+]1CC[C@H](C)[C@@H](CN)C1 164645524 344248628 /nfs/dbraw/zinc/24/86/28/344248628.db2.gz DBOPDWHZXWABLL-QWRGUYRKSA-N 1 3 184.327 1.559 20 0 ADADHO CC(C)C[N@H+]1CC[C@H](C)[C@@H](CN)C1 164645524 344248629 /nfs/dbraw/zinc/24/86/29/344248629.db2.gz DBOPDWHZXWABLL-QWRGUYRKSA-N 1 3 184.327 1.559 20 0 ADADHO CCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 164644448 344248666 /nfs/dbraw/zinc/24/86/66/344248666.db2.gz OQLSSGVWMITQLX-VHSXEESVSA-N 1 3 170.300 1.313 20 0 ADADHO CCC[N@H+]1CC[C@H](C)[C@H](CN)C1 164644448 344248668 /nfs/dbraw/zinc/24/86/68/344248668.db2.gz OQLSSGVWMITQLX-VHSXEESVSA-N 1 3 170.300 1.313 20 0 ADADHO CCCN1CC[C@H](C)[C@H](C[NH3+])C1 164644448 344248670 /nfs/dbraw/zinc/24/86/70/344248670.db2.gz OQLSSGVWMITQLX-VHSXEESVSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@@H]1CC[N@H+](CC2CNC2)[C@H](C)C1 165184477 344259537 /nfs/dbraw/zinc/25/95/37/344259537.db2.gz UWEFAVGZQVVLFQ-NXEZZACHSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@H]1CC[N@@H+](CC2CNC2)[C@H](C)C1 165184477 344259538 /nfs/dbraw/zinc/25/95/38/344259538.db2.gz UWEFAVGZQVVLFQ-NXEZZACHSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@H]1CCN(CC2C[NH2+]C2)[C@H](C)C1 165184477 344259539 /nfs/dbraw/zinc/25/95/39/344259539.db2.gz UWEFAVGZQVVLFQ-NXEZZACHSA-N 1 3 182.311 1.326 20 0 ADADHO CC(C)[C@@H]1CCN(C[C@H](C)[NH3+])C1 166051160 344273841 /nfs/dbraw/zinc/27/38/41/344273841.db2.gz PXARKVGDRKDAQU-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO CC[C@@H]1CCN(C[C@H](C)[NH3+])C1 166068887 344274321 /nfs/dbraw/zinc/27/43/21/344274321.db2.gz OSRYYMOOXMXUEM-DTWKUNHWSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)CC[C@@H]1N 167064408 344296227 /nfs/dbraw/zinc/29/62/27/344296227.db2.gz KNMFGXWOPAGIKT-ZNSHCXBVSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)CC[C@@H]1N 167064408 344296228 /nfs/dbraw/zinc/29/62/28/344296228.db2.gz KNMFGXWOPAGIKT-ZNSHCXBVSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@@H]1CN(C[C@@H]2C[C@H]2C)CC[C@@H]1[NH3+] 167064408 344296229 /nfs/dbraw/zinc/29/62/29/344296229.db2.gz KNMFGXWOPAGIKT-ZNSHCXBVSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@H]1C[C@@H]1C[NH+]1CCC(N)CC1 167068582 344296830 /nfs/dbraw/zinc/29/68/30/344296830.db2.gz HNTIAVHRHWNVTA-DTWKUNHWSA-N 1 3 168.284 1.066 20 0 ADADHO CC1(C)CCN(CC2(C[NH3+])CC2)CC1 168781958 344336971 /nfs/dbraw/zinc/33/69/71/344336971.db2.gz JFOWONHZEWAILY-UHFFFAOYSA-N 1 3 196.338 1.847 20 0 ADADHO N[C@H]1C[C@H]([NH2+]C2CC2)c2ccccc21 169227899 344349039 /nfs/dbraw/zinc/34/90/39/344349039.db2.gz DCMJMQBMVJOPLJ-RYUDHWBXSA-N 1 3 188.274 1.883 20 0 ADADHO CC[C@@H](C)N1CCC(C)([NH3+])CC1 218809048 344416925 /nfs/dbraw/zinc/41/69/25/344416925.db2.gz OHNQVEMNVNLNCI-SECBINFHSA-N 1 3 170.300 1.598 20 0 ADADHO CCCCN1CCC[C@]2(CC[NH2+]C2)C1 219571976 344425674 /nfs/dbraw/zinc/42/56/74/344425674.db2.gz GFYIKWRCQRXRET-GFCCVEGCSA-N 1 3 196.338 1.862 20 0 ADADHO C[C@@H]1C[N@H+](C[C@H]2CCCNC2)C[C@@H]1C 219682742 344426859 /nfs/dbraw/zinc/42/68/59/344426859.db2.gz LZSXEXRRSUYFCV-TUAOUCFPSA-N 1 3 196.338 1.574 20 0 ADADHO CC[C@H](C)N1CC[C@]2(CC[NH2+]C2)C1 221105279 344438153 /nfs/dbraw/zinc/43/81/53/344438153.db2.gz QQQWLQREPIQDPL-QWRGUYRKSA-N 1 3 182.311 1.470 20 0 ADADHO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 222875625 344454837 /nfs/dbraw/zinc/45/48/37/344454837.db2.gz PMHLRPDSXUHYSL-IVZWLZJFSA-N 1 3 170.300 1.644 20 0 ADADHO CC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 222875740 344454846 /nfs/dbraw/zinc/45/48/46/344454846.db2.gz PMHLRPDSXUHYSL-AEJSXWLSSA-N 1 3 170.300 1.644 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 222993741 344455388 /nfs/dbraw/zinc/45/53/88/344455388.db2.gz ARFLSAAAZHWRSV-BBBLOLIVSA-N 1 3 182.311 1.644 20 0 ADADHO CC1(C)C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 222993741 344455389 /nfs/dbraw/zinc/45/53/89/344455389.db2.gz ARFLSAAAZHWRSV-BBBLOLIVSA-N 1 3 182.311 1.644 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 222993861 344455398 /nfs/dbraw/zinc/45/53/98/344455398.db2.gz ARFLSAAAZHWRSV-UTLUCORTSA-N 1 3 182.311 1.644 20 0 ADADHO CC1(C)C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 222993861 344455399 /nfs/dbraw/zinc/45/53/99/344455399.db2.gz ARFLSAAAZHWRSV-UTLUCORTSA-N 1 3 182.311 1.644 20 0 ADADHO CC(C)N1CC[C@H](C[NH+]2CCCC2)C1 223303618 344459230 /nfs/dbraw/zinc/45/92/30/344459230.db2.gz LZYBSKDOLMMRJK-GFCCVEGCSA-N 1 3 196.338 1.813 20 0 ADADHO CC(C)[N@@H+]1CC[C@H](CN2CCCC2)C1 223303618 344459232 /nfs/dbraw/zinc/45/92/32/344459232.db2.gz LZYBSKDOLMMRJK-GFCCVEGCSA-N 1 3 196.338 1.813 20 0 ADADHO CC(C)[N@H+]1CC[C@H](CN2CCCC2)C1 223303618 344459233 /nfs/dbraw/zinc/45/92/33/344459233.db2.gz LZYBSKDOLMMRJK-GFCCVEGCSA-N 1 3 196.338 1.813 20 0 ADADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CCC1CCC1 229113238 344582665 /nfs/dbraw/zinc/58/26/65/344582665.db2.gz OYZCPYARQPGBFY-PWSUYJOCSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC1CCC1 229113238 344582666 /nfs/dbraw/zinc/58/26/66/344582666.db2.gz OYZCPYARQPGBFY-PWSUYJOCSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1CCC[C@H](CN2CC[C@@H]([NH3+])C2)C1 229633698 344608239 /nfs/dbraw/zinc/60/82/39/344608239.db2.gz GYLHSAHYVQCKII-GRYCIOLGSA-N 1 3 196.338 1.846 20 0 ADADHO CC(C)CCN1C[C@@H](C)[C@@H]([NH3+])C1 232567033 344683365 /nfs/dbraw/zinc/68/33/65/344683365.db2.gz BMXGQBNZKQIZNE-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCN1 232771117 344689371 /nfs/dbraw/zinc/68/93/71/344689371.db2.gz IYZUGZFFLDALCZ-MNOVXSKESA-N 1 3 196.338 1.907 20 0 ADADHO CC1(CN[C@@H]2CCC[NH2+]C2)CCC1 233020899 344698672 /nfs/dbraw/zinc/69/86/72/344698672.db2.gz QTGHPQGKGQIIGK-SNVBAGLBSA-N 1 3 182.311 1.518 20 0 ADADHO C[C@H]1C[N@H+](CC2(C)CC2)CC[C@@H]1N 235663997 344762296 /nfs/dbraw/zinc/76/22/96/344762296.db2.gz HLFRDFHLJGOHRK-UWVGGRQHSA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)[N@@H+]1CCC[C@@H]([C@H](C)N)C1 250496574 344834615 /nfs/dbraw/zinc/83/46/15/344834615.db2.gz JNZNQMQUHWOEOO-VHSXEESVSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)[N@H+]1CCC[C@@H]([C@H](C)N)C1 250496574 344834616 /nfs/dbraw/zinc/83/46/16/344834616.db2.gz JNZNQMQUHWOEOO-VHSXEESVSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)N1CCC[C@@H]([C@H](C)[NH3+])C1 250496574 344834617 /nfs/dbraw/zinc/83/46/17/344834617.db2.gz JNZNQMQUHWOEOO-VHSXEESVSA-N 1 3 170.300 1.454 20 0 ADADHO CC[C@@H]1C[N@H+](CC(C)C)CC[C@H]1N 251642627 344862867 /nfs/dbraw/zinc/86/28/67/344862867.db2.gz GAVJZMMBTPDMJW-GHMZBOCLSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@@H]1C[N@@H+](CC(C)C)CC[C@H]1N 251642627 344862869 /nfs/dbraw/zinc/86/28/69/344862869.db2.gz GAVJZMMBTPDMJW-GHMZBOCLSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1N 251656073 344863851 /nfs/dbraw/zinc/86/38/51/344863851.db2.gz GTWCRTSXUAATIE-GHMZBOCLSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1CCCN1C[C@H]1CC[NH2+]C1 252137039 344887665 /nfs/dbraw/zinc/88/76/65/344887665.db2.gz LPYNCKMTSXWOJE-ZJUUUORDSA-N 1 3 168.284 1.080 20 0 ADADHO C[C@@H]1[C@@H]([NH2+][C@@H]2CCNC2)CCC[C@H]1C 251920779 344880517 /nfs/dbraw/zinc/88/05/17/344880517.db2.gz UPZLLRKPULOMHB-KXNHARMFSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]1C[N@@H+](C(C)C)CC[C@H]1N 252679056 344907824 /nfs/dbraw/zinc/90/78/24/344907824.db2.gz YMGXWYLGNVEXDY-VHSXEESVSA-N 1 3 170.300 1.454 20 0 ADADHO CC[C@H]1C[N@H+](C(C)C)CC[C@H]1N 252679056 344907825 /nfs/dbraw/zinc/90/78/25/344907825.db2.gz YMGXWYLGNVEXDY-VHSXEESVSA-N 1 3 170.300 1.454 20 0 ADADHO CC[C@H]1CN(C(C)C)CC[C@H]1[NH3+] 252679056 344907826 /nfs/dbraw/zinc/90/78/26/344907826.db2.gz YMGXWYLGNVEXDY-VHSXEESVSA-N 1 3 170.300 1.454 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCNCC1 252794954 344914098 /nfs/dbraw/zinc/91/40/98/344914098.db2.gz ZRCVZJVZNVHKMF-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H](N)[C@H](C)C1 252957545 344922555 /nfs/dbraw/zinc/92/25/55/344922555.db2.gz KNMFGXWOPAGIKT-ZRUFSTJUSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC2)C1 300361843 344977548 /nfs/dbraw/zinc/97/75/48/344977548.db2.gz ITBUYFWLURONLY-GRYCIOLGSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 306582532 345459772 /nfs/dbraw/zinc/45/97/72/345459772.db2.gz DLVMVUOMDMOZBI-SDDRHHMPSA-N 1 3 196.338 1.574 20 0 ADADHO C[C@H]1[C@H](C)CC[N@H+]1CCCN 306733599 345581413 /nfs/dbraw/zinc/58/14/13/345581413.db2.gz IIDBZXYLTYHQQX-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@H]1C[C@@H]1CN[C@@H]1CCC[NH2+][C@@H]1C 307210684 345894240 /nfs/dbraw/zinc/89/42/40/345894240.db2.gz MSQIVGFWYUWTKW-GWOFURMSSA-N 1 3 182.311 1.373 20 0 ADADHO CC[C@H](C)CN1CC[C@@]2(CC[NH2+]C2)C1 307598969 346138640 /nfs/dbraw/zinc/13/86/40/346138640.db2.gz PMCSCTRHPLHUMT-NWDGAFQWSA-N 1 3 196.338 1.718 20 0 ADADHO CC(C)[NH2+]CC1=CCN(C)CC1 307653125 346167390 /nfs/dbraw/zinc/16/73/90/346167390.db2.gz TZPDHYHLHCDCSS-UHFFFAOYSA-N 1 3 168.284 1.246 20 0 ADADHO C[C@H]1CCC[C@H](C)[N@H+](CCCN)C1 335257363 346384951 /nfs/dbraw/zinc/38/49/51/346384951.db2.gz OYGHLBRVRXTUCD-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO C[C@H]1CCC[C@H](C)[N@@H+](CCCN)C1 335257363 346384952 /nfs/dbraw/zinc/38/49/52/346384952.db2.gz OYGHLBRVRXTUCD-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 335306563 346388248 /nfs/dbraw/zinc/38/82/48/346388248.db2.gz FXJVPNQBJJQRPN-VXGBXAGGSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 335306560 346388542 /nfs/dbraw/zinc/38/85/42/346388542.db2.gz FXJVPNQBJJQRPN-NEPJUHHUSA-N 1 3 196.338 1.811 20 0 ADADHO CCC1CC(N[C@@H]2C[NH2+]CC[C@@H]2C)C1 335515744 346402404 /nfs/dbraw/zinc/40/24/04/346402404.db2.gz QMOSKKHYNKXHAH-WNYYMSAVSA-N 1 3 196.338 1.763 20 0 ADADHO CCC1CC(N[C@H]2C[NH2+]CC[C@H]2C)C1 335515757 346402414 /nfs/dbraw/zinc/40/24/14/346402414.db2.gz QMOSKKHYNKXHAH-YYJSSNLHSA-N 1 3 196.338 1.763 20 0 ADADHO CCC1CC(N[C@H]2C[NH2+]CC[C@@H]2C)C1 335515748 346402572 /nfs/dbraw/zinc/40/25/72/346402572.db2.gz QMOSKKHYNKXHAH-XKGSQUFQSA-N 1 3 196.338 1.763 20 0 ADADHO CCC1CC(N[C@H]2CCC[NH2+][C@@H]2C)C1 335539339 346404036 /nfs/dbraw/zinc/40/40/36/346404036.db2.gz VMXXVIOBFQNORE-YYJSSNLHSA-N 1 3 196.338 1.905 20 0 ADADHO CCC1CC(N[C@H]2CCC[NH2+][C@H]2C)C1 335539338 346404060 /nfs/dbraw/zinc/40/40/60/346404060.db2.gz VMXXVIOBFQNORE-XKGSQUFQSA-N 1 3 196.338 1.905 20 0 ADADHO CC1(C)CCC[C@@H]1[NH2+]CC1CNC1 335553043 346404685 /nfs/dbraw/zinc/40/46/85/346404685.db2.gz SRWZLWBBLGQUTP-JTQLQIEISA-N 1 3 182.311 1.374 20 0 ADADHO CC1(C)CCC([NH2+]CC2CNC2)CC1 335552575 346404690 /nfs/dbraw/zinc/40/46/90/346404690.db2.gz PCWVMQWDYZAMEF-UHFFFAOYSA-N 1 3 196.338 1.764 20 0 ADADHO CC1(C)CCC[C@H]1[NH2+]CC1CNC1 335553044 346404702 /nfs/dbraw/zinc/40/47/02/346404702.db2.gz SRWZLWBBLGQUTP-SNVBAGLBSA-N 1 3 182.311 1.374 20 0 ADADHO CC1(C)CCC[C@@H]([NH2+]CC2CNC2)C1 335553476 346404713 /nfs/dbraw/zinc/40/47/13/346404713.db2.gz XIUWIVAMLGDSFQ-LLVKDONJSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]1CCCC[C@H]1[NH2+]CC1CNC1 335553013 346404727 /nfs/dbraw/zinc/40/47/27/346404727.db2.gz RTMBUFKDQVBZRQ-GXSJLCMTSA-N 1 3 182.311 1.374 20 0 ADADHO CC1(C)CCC[C@H]([NH2+]CC2CNC2)C1 335553477 346404732 /nfs/dbraw/zinc/40/47/32/346404732.db2.gz XIUWIVAMLGDSFQ-NSHDSACASA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]1CCCC[C@@H]1[NH2+]CC1CNC1 335553016 346404743 /nfs/dbraw/zinc/40/47/43/346404743.db2.gz RTMBUFKDQVBZRQ-ONGXEEELSA-N 1 3 182.311 1.374 20 0 ADADHO CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 336345785 346455988 /nfs/dbraw/zinc/45/59/88/346455988.db2.gz NHSQGXYIVKHBAR-VXGBXAGGSA-N 1 3 196.338 1.813 20 0 ADADHO CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 336345784 346456058 /nfs/dbraw/zinc/45/60/58/346456058.db2.gz NHSQGXYIVKHBAR-RYUDHWBXSA-N 1 3 196.338 1.813 20 0 ADADHO CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 336345783 346456225 /nfs/dbraw/zinc/45/62/25/346456225.db2.gz NHSQGXYIVKHBAR-NWDGAFQWSA-N 1 3 196.338 1.813 20 0 ADADHO CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 336345783 346456226 /nfs/dbraw/zinc/45/62/26/346456226.db2.gz NHSQGXYIVKHBAR-NWDGAFQWSA-N 1 3 196.338 1.813 20 0 ADADHO CCCN1CCC2(CCC[N@@H+]2C)CC1 336345329 346456233 /nfs/dbraw/zinc/45/62/33/346456233.db2.gz DRGWYHQFPKMYHN-UHFFFAOYSA-N 1 3 196.338 1.957 20 0 ADADHO CCCN1CCC2(CCC[N@H+]2C)CC1 336345329 346456234 /nfs/dbraw/zinc/45/62/34/346456234.db2.gz DRGWYHQFPKMYHN-UHFFFAOYSA-N 1 3 196.338 1.957 20 0 ADADHO CC[C@@H]([NH2+][C@@H]1CCNC1)C1CCCC1 382779775 346535919 /nfs/dbraw/zinc/53/59/19/346535919.db2.gz FTWOVAQHWABDMF-VXGBXAGGSA-N 1 3 196.338 1.907 20 0 ADADHO COCCC[C@@H](C)[NH2+]CC[C@H](C)N 622045168 347237359 /nfs/dbraw/zinc/23/73/59/347237359.db2.gz FIXMCUCWFOQHJI-VHSXEESVSA-N 1 3 188.315 1.128 20 0 ADADHO CC[C@H](C)CN1C[C@H]2CCC[C@@]2([NH3+])C1 621780181 347233280 /nfs/dbraw/zinc/23/32/80/347233280.db2.gz OGILATBJCUFMIX-QJPTWQEYSA-N 1 3 196.338 1.846 20 0 ADADHO CC(C)CCN1C[C@@H]2CCC[C@]2([NH3+])C1 621778154 347233696 /nfs/dbraw/zinc/23/36/96/347233696.db2.gz LHSRQSRSDLWVTH-RYUDHWBXSA-N 1 3 196.338 1.846 20 0 ADADHO CC(C)[NH2+]C[C@H]1CCCCN(C)C1 624121829 347270188 /nfs/dbraw/zinc/27/01/88/347270188.db2.gz DOXYXJUKNMMNKI-LLVKDONJSA-N 1 3 184.327 1.716 20 0 ADADHO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCNC1 629409652 347344279 /nfs/dbraw/zinc/34/42/79/347344279.db2.gz MRSRYAHTURRPMJ-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCNC1 629553195 347348734 /nfs/dbraw/zinc/34/87/34/347348734.db2.gz ADKQBMLIUZXIEI-GARJFASQSA-N 1 3 196.338 1.763 20 0 ADADHO C1CC([C@H]2CC[C@H]2[NH2+][C@@H]2CCNC2)C1 629552980 347348856 /nfs/dbraw/zinc/34/88/56/347348856.db2.gz AZTGQZOHLIXMHQ-IJLUTSLNSA-N 1 3 194.322 1.517 20 0 ADADHO C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2CCNC2)C1 629552979 347348938 /nfs/dbraw/zinc/34/89/38/347348938.db2.gz AZTGQZOHLIXMHQ-GRYCIOLGSA-N 1 3 194.322 1.517 20 0 ADADHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCNC1 629554684 347350011 /nfs/dbraw/zinc/35/00/11/347350011.db2.gz NDRGMNCBJCFULO-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)C[C@@H](C)[NH2+]C1CCNCC1 38040838 351478295 /nfs/dbraw/zinc/47/82/95/351478295.db2.gz CLQCTCNBFUUQNZ-SNVBAGLBSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)C[C@H](C)[NH2+]C1CCNCC1 38040839 351478462 /nfs/dbraw/zinc/47/84/62/351478462.db2.gz CLQCTCNBFUUQNZ-JTQLQIEISA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1N 49694097 351549005 /nfs/dbraw/zinc/54/90/05/351549005.db2.gz CCROAPGDWTVMOX-SCZZXKLOSA-N 1 3 168.284 1.066 20 0 ADADHO CC(C)N1C[C@@]2(C)C[NH2+]C[C@]2(C)C1 536953650 352192021 /nfs/dbraw/zinc/19/20/21/352192021.db2.gz ITOBRGQCGSCTER-GHMZBOCLSA-N 1 3 182.311 1.326 20 0 ADADHO CC1CC(CN2CCC([NH3+])CC2)C1 575491561 352362887 /nfs/dbraw/zinc/36/28/87/352362887.db2.gz KXCKVDMTZPRFBA-UHFFFAOYSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](NC[C@@H]1C[C@H]1C)[C@@H]1CCCC[NH2+]1 643451657 352951971 /nfs/dbraw/zinc/95/19/71/352951971.db2.gz FTLGSNLWDBOXRT-RHYQMDGZSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C1CNC1 643451675 352951995 /nfs/dbraw/zinc/95/19/95/352951995.db2.gz HRPYEAFKQBMAMU-JFGNBEQYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]([NH2+]CC1CCCC1)C1CNC1 643463895 352956672 /nfs/dbraw/zinc/95/66/72/352956672.db2.gz IEDFJWDWWHIYGJ-SECBINFHSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H](N[C@H](C)C1CC1)[C@@H]1CCCC[NH2+]1 643467272 352957498 /nfs/dbraw/zinc/95/74/98/352957498.db2.gz UTEXDKWVXXTZJR-SCVCMEIPSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)C1CCC1 643476388 352960633 /nfs/dbraw/zinc/96/06/33/352960633.db2.gz WOBGTQLPXJSARU-GUBZILKMSA-N 1 3 184.327 1.890 20 0 ADADHO CC(C)C[C@@H](C)[NH2+][C@H](C)C1CNC1 643475854 352960847 /nfs/dbraw/zinc/96/08/47/352960847.db2.gz SMRKVYFXLAZABD-NXEZZACHSA-N 1 3 184.327 1.619 20 0 ADADHO CO[C@H](C)[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] 643483999 352962761 /nfs/dbraw/zinc/96/27/61/352962761.db2.gz ZCBANFIPXYPSNC-XFWSIPNHSA-N 1 3 188.315 1.125 20 0 ADADHO CC(C)=CCCN[C@@H]1C[NH2+]CC[C@@H]1C 643484516 352962770 /nfs/dbraw/zinc/96/27/70/352962770.db2.gz PPVFXKFFIYCUHN-NWDGAFQWSA-N 1 3 196.338 1.930 20 0 ADADHO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1C)C1CNC1 643487750 352963665 /nfs/dbraw/zinc/96/36/65/352963665.db2.gz BJYXSKFLKSWSBH-MXWKQRLJSA-N 1 3 196.338 1.620 20 0 ADADHO CC[C@H]([NH2+]CCCNC)C1CCC1 643498589 352971938 /nfs/dbraw/zinc/97/19/38/352971938.db2.gz IUSZZXYZEWNUKP-NSHDSACASA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+]C1CCC2(CC1)CC2 643498542 352971942 /nfs/dbraw/zinc/97/19/42/352971942.db2.gz WQXCTOZPSIPYMM-UHFFFAOYSA-N 1 3 196.338 1.908 20 0 ADADHO CC[C@H]1CCC[C@H]1[NH2+]CCCNC 643498394 352971952 /nfs/dbraw/zinc/97/19/52/352971952.db2.gz SYQZOOSYCIFCGD-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@@H](C1CCC1)C1CC1 643498601 352971971 /nfs/dbraw/zinc/97/19/71/352971971.db2.gz JLHRZQQPVWCECK-LBPRGKRZSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@@H]1CCC[C@H]1[NH2+]CCCNC 643498391 352971973 /nfs/dbraw/zinc/97/19/73/352971973.db2.gz SYQZOOSYCIFCGD-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@H]([NH2+]CCCNC)[C@@H]1C[C@@H]1C 643498592 352971982 /nfs/dbraw/zinc/97/19/82/352971982.db2.gz JCSASMOVCHLVGT-AXFHLTTASA-N 1 3 184.327 1.620 20 0 ADADHO CNCCC[NH2+][C@@H](C)C(C)(C)C 643498408 352971984 /nfs/dbraw/zinc/97/19/84/352971984.db2.gz XMQJFSSYQVBLQM-VIFPVBQESA-N 1 3 172.316 1.620 20 0 ADADHO CC[NH2+]CCN[C@@H](C1CCC1)C1CC1 643505713 352979171 /nfs/dbraw/zinc/97/91/71/352979171.db2.gz WQQBGDOICIZNBF-LBPRGKRZSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)CC[C@@H](C)[NH2+]CC1CNC1 643515706 352987426 /nfs/dbraw/zinc/98/74/26/352987426.db2.gz UISGQWGRHJALIJ-SNVBAGLBSA-N 1 3 184.327 1.620 20 0 ADADHO CC(C)OCCN[C@@H](C)C[C@@H](C)[NH3+] 643480755 352961677 /nfs/dbraw/zinc/96/16/77/352961677.db2.gz AQQFGPJOWRHUML-ZJUUUORDSA-N 1 3 188.315 1.127 20 0 ADADHO CC1(C)C[C@@H]1N[C@@H]1CCC[C@@H]1[NH3+] 643478502 352961707 /nfs/dbraw/zinc/96/17/07/352961707.db2.gz ZNOZASXUPHYRDB-YIZRAAEISA-N 1 3 168.284 1.254 20 0 ADADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CC1(C)C 643478405 352961917 /nfs/dbraw/zinc/96/19/17/352961917.db2.gz RWWSKDYXFZPNCQ-MXWKQRLJSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](C)C[NH2+][C@@H](C)C[C@H](C)N 643549121 353003865 /nfs/dbraw/zinc/00/38/65/353003865.db2.gz BTTNTESRDBGMDH-GUBZILKMSA-N 1 3 172.316 1.748 20 0 ADADHO CC[C@H]([NH2+]C1CCNCC1)C(C)C 42586442 409353554 /nfs/dbraw/zinc/35/35/54/409353554.db2.gz GOXQMNQVFSXCTH-NSHDSACASA-N 1 3 184.327 1.763 20 0 ADADHO CC1(C)CCN(C[C@@H]2CC[NH2+]C2)CC1 61820128 409400223 /nfs/dbraw/zinc/40/02/23/409400223.db2.gz WVZAFTPJTQXPIH-LLVKDONJSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@H](N)CC[NH2+]C1CCSCC1 113074828 409463055 /nfs/dbraw/zinc/46/30/55/409463055.db2.gz KAWZROLGFVVQQX-QMMMGPOBSA-N 1 3 188.340 1.209 20 0 ADADHO CC(C)CC[N@H+]1C[C@@H](CN)C[C@H]1C 131533818 409486289 /nfs/dbraw/zinc/48/62/89/409486289.db2.gz MVBPWBKAQCTCFY-GHMZBOCLSA-N 1 3 184.327 1.702 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@@]1(C)CC1(C)C 665275338 409866888 /nfs/dbraw/zinc/86/68/88/409866888.db2.gz IFPBBZYXPWJCHH-NGZCFLSTSA-N 1 3 184.327 1.890 20 0 ADADHO CNCCC[N@@H+]1CC[C@@H](C)[C@@H]1C 380750909 409879275 /nfs/dbraw/zinc/87/92/75/409879275.db2.gz NCESVLDZMJAARR-ZJUUUORDSA-N 1 3 170.300 1.326 20 0 ADADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)C1CC1 132480254 409489895 /nfs/dbraw/zinc/48/98/95/409489895.db2.gz KYICYMAVOCPZQD-JLLWLGSASA-N 1 3 196.338 1.750 20 0 ADADHO CC(C)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 88287981 325612061 /nfs/dbraw/zinc/61/20/61/325612061.db2.gz QCANECPRIIJKDN-GHMZBOCLSA-N 1 3 182.311 1.184 20 0 ADADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1CC=CC1 530215915 325665681 /nfs/dbraw/zinc/66/56/81/325665681.db2.gz KGZBLQSPAOHIOS-NEPJUHHUSA-N 1 3 194.322 1.670 20 0 ADADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CC=CC2)C1 530219160 325665947 /nfs/dbraw/zinc/66/59/47/325665947.db2.gz ZHKDXEDHYXRPCF-VXGBXAGGSA-N 1 3 194.322 1.812 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CC1CC=CC1 530219145 325666006 /nfs/dbraw/zinc/66/60/06/325666006.db2.gz ZFCAPSHJFNAEMK-UWVGGRQHSA-N 1 3 182.311 1.668 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CC=CC1 530215917 325666010 /nfs/dbraw/zinc/66/60/10/325666010.db2.gz KGZBLQSPAOHIOS-RYUDHWBXSA-N 1 3 194.322 1.670 20 0 ADADHO N[C@@H]1CCC[C@H]([NH2+]CC2CC=CC2)C1 530219156 325666104 /nfs/dbraw/zinc/66/61/04/325666104.db2.gz ZHKDXEDHYXRPCF-NEPJUHHUSA-N 1 3 194.322 1.812 20 0 ADADHO CC(C)N1C[C@]2(C)C[NH2+]C[C@@]2(C)C1 536953660 325669750 /nfs/dbraw/zinc/66/97/50/325669750.db2.gz ITOBRGQCGSCTER-QWRGUYRKSA-N 1 3 182.311 1.326 20 0 ADADHO CNCCC[NH2+]CC1CCCCC1 10435511 343022088 /nfs/dbraw/zinc/02/20/88/343022088.db2.gz IDTVIMOEOCSGNH-UHFFFAOYSA-N 1 3 184.327 1.766 20 0 ADADHO CCCN(C)CC(C)(C)C[NH3+] 17666118 343047131 /nfs/dbraw/zinc/04/71/31/343047131.db2.gz IZRNPHNCWWJOLT-UHFFFAOYSA-N 1 3 158.289 1.313 20 0 ADADHO CC[N@@H+]1CCOC[C@@H]1C1CC1 17918898 343047311 /nfs/dbraw/zinc/04/73/11/343047311.db2.gz RBBBXRKOXXVIAZ-SECBINFHSA-N 1 3 155.241 1.117 20 0 ADADHO CC[N@H+]1CCOC[C@@H]1C1CC1 17918898 343047314 /nfs/dbraw/zinc/04/73/14/343047314.db2.gz RBBBXRKOXXVIAZ-SECBINFHSA-N 1 3 155.241 1.117 20 0 ADADHO CC[NH+](CC)CC1(N)CCCC1 19727570 343059051 /nfs/dbraw/zinc/05/90/51/343059051.db2.gz MFBTZQOVSBNKIN-UHFFFAOYSA-N 1 3 170.300 1.600 20 0 ADADHO C[NH+](C)CCCN[C@H]1CCSC1 19958209 343065526 /nfs/dbraw/zinc/06/55/26/343065526.db2.gz MMQCWNRGQZDUJZ-VIFPVBQESA-N 1 3 188.340 1.033 20 0 ADADHO CCCCN1CC[C@@]2(CC[NH2+]C2)C1 31994432 343095169 /nfs/dbraw/zinc/09/51/69/343095169.db2.gz QZEJPUFUSXWSFD-LLVKDONJSA-N 1 3 182.311 1.472 20 0 ADADHO CCCCN1CC[C@]2(CC[NH2+]C2)C1 31994435 343095294 /nfs/dbraw/zinc/09/52/94/343095294.db2.gz QZEJPUFUSXWSFD-NSHDSACASA-N 1 3 182.311 1.472 20 0 ADADHO CCCN1CC[C@@]2(CC[NH2+]C2)C1 31994419 343095338 /nfs/dbraw/zinc/09/53/38/343095338.db2.gz VFJCSHMVTUUZBU-SNVBAGLBSA-N 1 3 168.284 1.082 20 0 ADADHO CCCN1CC[C@]2(CC[NH2+]C2)C1 31994422 343095440 /nfs/dbraw/zinc/09/54/40/343095440.db2.gz VFJCSHMVTUUZBU-JTQLQIEISA-N 1 3 168.284 1.082 20 0 ADADHO CCCN1C[C@@H]2CCC[C@H](C1)C2[NH3+] 32629161 343103004 /nfs/dbraw/zinc/10/30/04/343103004.db2.gz WZTINSOFBXMMQI-ZACCUICWSA-N 1 3 182.311 1.456 20 0 ADADHO C[N@@H+]1CCC[C@H]1CCN1CCCCC1 34583375 343122681 /nfs/dbraw/zinc/12/26/81/343122681.db2.gz WIHVXUIGWLONNV-LBPRGKRZSA-N 1 3 196.338 1.957 20 0 ADADHO C[N@H+]1CCC[C@H]1CCN1CCCCC1 34583375 343122683 /nfs/dbraw/zinc/12/26/83/343122683.db2.gz WIHVXUIGWLONNV-LBPRGKRZSA-N 1 3 196.338 1.957 20 0 ADADHO C1CCN(CCC[NH2+]CC2CC2)CC1 36882443 343152815 /nfs/dbraw/zinc/15/28/15/343152815.db2.gz XUJPCJSHDLHMIK-UHFFFAOYSA-N 1 3 196.338 1.862 20 0 ADADHO CC(C)N[C@H]1CC[N@@H+]2CCCC[C@H]12 36996984 343157280 /nfs/dbraw/zinc/15/72/80/343157280.db2.gz LKCSAZGEXCJBMU-WDEREUQCSA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@H]1CC[N@H+]2CCCC[C@H]12 36996984 343157281 /nfs/dbraw/zinc/15/72/81/343157281.db2.gz LKCSAZGEXCJBMU-WDEREUQCSA-N 1 3 182.311 1.611 20 0 ADADHO C[N@H+](C[C@H]1CCCNC1)C1CCCC1 37092907 343159365 /nfs/dbraw/zinc/15/93/65/343159365.db2.gz RPVFVTYGBUCQNC-NSHDSACASA-N 1 3 196.338 1.860 20 0 ADADHO C[N@@H+](C[C@H]1CCCNC1)C1CCCC1 37092907 343159366 /nfs/dbraw/zinc/15/93/66/343159366.db2.gz RPVFVTYGBUCQNC-NSHDSACASA-N 1 3 196.338 1.860 20 0 ADADHO CCC[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 37208393 343162765 /nfs/dbraw/zinc/16/27/65/343162765.db2.gz YAPUYXNNUOFLIN-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@H+]1CCC[C@@H]([C@@H](C)N)C1 37208393 343162767 /nfs/dbraw/zinc/16/27/67/343162767.db2.gz YAPUYXNNUOFLIN-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 37208393 343162768 /nfs/dbraw/zinc/16/27/68/343162768.db2.gz YAPUYXNNUOFLIN-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@@H+]1CCC[C@H]([C@@H](C)N)C1 37208392 343162820 /nfs/dbraw/zinc/16/28/20/343162820.db2.gz YAPUYXNNUOFLIN-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@H+]1CCC[C@H]([C@@H](C)N)C1 37208392 343162823 /nfs/dbraw/zinc/16/28/23/343162823.db2.gz YAPUYXNNUOFLIN-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CCCN1CCC[C@H]([C@@H](C)[NH3+])C1 37208392 343162826 /nfs/dbraw/zinc/16/28/26/343162826.db2.gz YAPUYXNNUOFLIN-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@H](C)C[NH+]1CCC(N)CC1 37228210 343163218 /nfs/dbraw/zinc/16/32/18/343163218.db2.gz JIGUAMHXGBWIQD-VIFPVBQESA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@H](C)CN1CCC([NH3+])CC1 37228210 343163220 /nfs/dbraw/zinc/16/32/20/343163220.db2.gz JIGUAMHXGBWIQD-VIFPVBQESA-N 1 3 170.300 1.456 20 0 ADADHO CCN1CC[C@H](C[NH2+]CC(C)C)C1 37484192 343171423 /nfs/dbraw/zinc/17/14/23/343171423.db2.gz UWDPMTKYKBBGGX-LLVKDONJSA-N 1 3 184.327 1.574 20 0 ADADHO CCN1CC[C@@H](C[NH2+]CC(C)C)C1 37484193 343171609 /nfs/dbraw/zinc/17/16/09/343171609.db2.gz UWDPMTKYKBBGGX-NSHDSACASA-N 1 3 184.327 1.574 20 0 ADADHO C[C@H]([NH2+]CCN)c1cccc(F)c1 37712559 343176324 /nfs/dbraw/zinc/17/63/24/343176324.db2.gz CDRYNHDNGYTXFZ-QMMMGPOBSA-N 1 3 182.242 1.435 20 0 ADADHO CCCN1CCC(C)([NH3+])CC1 37717093 343176669 /nfs/dbraw/zinc/17/66/69/343176669.db2.gz JLTCAGYWMUGXRX-UHFFFAOYSA-N 1 3 156.273 1.210 20 0 ADADHO CC(C)N1CCC(C)([NH3+])CC1 37717124 343176677 /nfs/dbraw/zinc/17/66/77/343176677.db2.gz WTKIMEWHUNGHAR-UHFFFAOYSA-N 1 3 156.273 1.208 20 0 ADADHO C[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 37911185 343180475 /nfs/dbraw/zinc/18/04/75/343180475.db2.gz YWPPMDPWTSYSBW-WDEREUQCSA-N 1 3 182.311 1.470 20 0 ADADHO C[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 37911185 343180478 /nfs/dbraw/zinc/18/04/78/343180478.db2.gz YWPPMDPWTSYSBW-WDEREUQCSA-N 1 3 182.311 1.470 20 0 ADADHO CC[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 37914174 343180936 /nfs/dbraw/zinc/18/09/36/343180936.db2.gz FJSZQMMVGDHUAE-NEPJUHHUSA-N 1 3 196.338 1.860 20 0 ADADHO CC[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 37914174 343180937 /nfs/dbraw/zinc/18/09/37/343180937.db2.gz FJSZQMMVGDHUAE-NEPJUHHUSA-N 1 3 196.338 1.860 20 0 ADADHO CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 37914173 343181146 /nfs/dbraw/zinc/18/11/46/343181146.db2.gz FJSZQMMVGDHUAE-VXGBXAGGSA-N 1 3 196.338 1.860 20 0 ADADHO CC[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 37914173 343181148 /nfs/dbraw/zinc/18/11/48/343181148.db2.gz FJSZQMMVGDHUAE-VXGBXAGGSA-N 1 3 196.338 1.860 20 0 ADADHO C[C@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 38040579 343183440 /nfs/dbraw/zinc/18/34/40/343183440.db2.gz KOEAKFNUKSWEMR-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)[C@@H](C)[NH2+]C1CCNCC1 38040810 343183591 /nfs/dbraw/zinc/18/35/91/343183591.db2.gz QHUWVQJQKNPHST-SECBINFHSA-N 1 3 170.300 1.373 20 0 ADADHO CC1CCC([NH2+]C2CCNCC2)CC1 38040566 343183600 /nfs/dbraw/zinc/18/36/00/343183600.db2.gz HRZOPSOQPPJMER-UHFFFAOYSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CCCC[C@H]1[NH2+]C1CCNCC1 38040581 343183696 /nfs/dbraw/zinc/18/36/96/343183696.db2.gz KOEAKFNUKSWEMR-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)[C@H](C)[NH2+]C1CCNCC1 38040811 343183729 /nfs/dbraw/zinc/18/37/29/343183729.db2.gz QHUWVQJQKNPHST-VIFPVBQESA-N 1 3 170.300 1.373 20 0 ADADHO C[NH+](C)C1(CCN)CCCCC1 38949533 343192302 /nfs/dbraw/zinc/19/23/02/343192302.db2.gz ZARUVSXKQPFYBK-UHFFFAOYSA-N 1 3 170.300 1.600 20 0 ADADHO C[NH+](C)C1(CCN)CCCCCC1 38973638 343192647 /nfs/dbraw/zinc/19/26/47/343192647.db2.gz ZNAOXVLUULEMCH-UHFFFAOYSA-N 1 3 184.327 1.990 20 0 ADADHO C[C@H](N)CC[NH2+]C1CCCCC1 40397771 343217505 /nfs/dbraw/zinc/21/75/05/343217505.db2.gz ZTJPWZKGFSTXOO-VIFPVBQESA-N 1 3 170.300 1.646 20 0 ADADHO CC[C@H](C)[NH2+]CC[C@H](C)N 40408122 343217794 /nfs/dbraw/zinc/21/77/94/343217794.db2.gz STOQBWAIWQUVET-YUMQZZPRSA-N 1 3 144.262 1.112 20 0 ADADHO CC(C)NCC1([NH3+])CCCC1 40407491 343218032 /nfs/dbraw/zinc/21/80/32/343218032.db2.gz CJXVSZBCUHHFHL-UHFFFAOYSA-N 1 3 156.273 1.256 20 0 ADADHO CC(C)N1CC[C@H](C[NH2+]CC2CC2)C1 40622807 343220606 /nfs/dbraw/zinc/22/06/06/343220606.db2.gz UDBASXBALWFFEU-GFCCVEGCSA-N 1 3 196.338 1.716 20 0 ADADHO CC(C)N1CC[C@@H](C[NH2+]CC2CC2)C1 40622810 343220774 /nfs/dbraw/zinc/22/07/74/343220774.db2.gz UDBASXBALWFFEU-LBPRGKRZSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 40725237 343222293 /nfs/dbraw/zinc/22/22/93/343222293.db2.gz MVRCEZDUFJIWBW-WDEREUQCSA-N 1 3 182.311 1.328 20 0 ADADHO C[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 40725237 343222295 /nfs/dbraw/zinc/22/22/95/343222295.db2.gz MVRCEZDUFJIWBW-WDEREUQCSA-N 1 3 182.311 1.328 20 0 ADADHO C[N@H+](CC(C)(C)N)[C@H]1CCSC1 40925915 343224172 /nfs/dbraw/zinc/22/41/72/343224172.db2.gz SOMUDCWUUCDVOI-QMMMGPOBSA-N 1 3 188.340 1.161 20 0 ADADHO C[N@@H+](CC(C)(C)N)[C@H]1CCSC1 40925915 343224174 /nfs/dbraw/zinc/22/41/74/343224174.db2.gz SOMUDCWUUCDVOI-QMMMGPOBSA-N 1 3 188.340 1.161 20 0 ADADHO C[N@H+](CC(C)(C)N)[C@@H]1CCSC1 40925912 343224374 /nfs/dbraw/zinc/22/43/74/343224374.db2.gz SOMUDCWUUCDVOI-MRVPVSSYSA-N 1 3 188.340 1.161 20 0 ADADHO C[N@@H+](CC(C)(C)N)[C@@H]1CCSC1 40925912 343224376 /nfs/dbraw/zinc/22/43/76/343224376.db2.gz SOMUDCWUUCDVOI-MRVPVSSYSA-N 1 3 188.340 1.161 20 0 ADADHO C[C@H]1CCN(CC(C)(C)[NH3+])C1 40926102 343224528 /nfs/dbraw/zinc/22/45/28/343224528.db2.gz HPOVDXWLEBHUKG-QMMMGPOBSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1CCCN1CC(C)(C)[NH3+] 40926036 343224750 /nfs/dbraw/zinc/22/47/50/343224750.db2.gz REXBGBCETQCMHZ-QMMMGPOBSA-N 1 3 156.273 1.208 20 0 ADADHO CCN(CC)CCC[NH+]1CCCC1 41202840 343231853 /nfs/dbraw/zinc/23/18/53/343231853.db2.gz CLTUHEPDRXQYED-UHFFFAOYSA-N 1 3 184.327 1.814 20 0 ADADHO CC[C@H](C)N[C@H]1CCC[NH2+]C1 43323695 343251153 /nfs/dbraw/zinc/25/11/53/343251153.db2.gz GWVVXJMCDDFHRV-IUCAKERBSA-N 1 3 156.273 1.127 20 0 ADADHO CC[C@H](C)N[C@@H]1CCC[NH2+]C1 43323691 343251174 /nfs/dbraw/zinc/25/11/74/343251174.db2.gz GWVVXJMCDDFHRV-DTWKUNHWSA-N 1 3 156.273 1.127 20 0 ADADHO C[C@H](N[C@@H]1CCC[NH2+]C1)C1CC1 43325498 343251197 /nfs/dbraw/zinc/25/11/97/343251197.db2.gz FQUXLIXXFVRKTK-WCBMZHEXSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H](N[C@H]1CCC[NH2+]C1)C1CC1 43325502 343251503 /nfs/dbraw/zinc/25/15/03/343251503.db2.gz FQUXLIXXFVRKTK-WPRPVWTQSA-N 1 3 168.284 1.127 20 0 ADADHO CC1(C)C[C@H]1[NH2+]C1CCNCC1 45117919 343271236 /nfs/dbraw/zinc/27/12/36/343271236.db2.gz NYCLYUFXTAPHFA-SECBINFHSA-N 1 3 168.284 1.127 20 0 ADADHO CC1(C)C[C@H]1NC1CC[NH2+]CC1 45117919 343271238 /nfs/dbraw/zinc/27/12/38/343271238.db2.gz NYCLYUFXTAPHFA-SECBINFHSA-N 1 3 168.284 1.127 20 0 ADADHO C[N@H+](CCCN)C(C)(C)C 49804499 343276558 /nfs/dbraw/zinc/27/65/58/343276558.db2.gz DLASDBICQCQQHK-UHFFFAOYSA-N 1 3 144.262 1.066 20 0 ADADHO C[N@@H+](CCCN)C(C)(C)C 49804499 343276559 /nfs/dbraw/zinc/27/65/59/343276559.db2.gz DLASDBICQCQQHK-UHFFFAOYSA-N 1 3 144.262 1.066 20 0 ADADHO CN(CCC[NH3+])C(C)(C)C 49804499 343276560 /nfs/dbraw/zinc/27/65/60/343276560.db2.gz DLASDBICQCQQHK-UHFFFAOYSA-N 1 3 144.262 1.066 20 0 ADADHO CCC(CC)CN1CC[C@@H]([NH3+])C1 50227861 343279974 /nfs/dbraw/zinc/27/99/74/343279974.db2.gz KCDWFTWCOZFAHM-SNVBAGLBSA-N 1 3 170.300 1.456 20 0 ADADHO CCC(CC)CN1CC[C@H]([NH3+])C1 50227860 343280174 /nfs/dbraw/zinc/28/01/74/343280174.db2.gz KCDWFTWCOZFAHM-JTQLQIEISA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1CCC[N@H+](CCCN)[C@@H]1C 50563675 343284212 /nfs/dbraw/zinc/28/42/12/343284212.db2.gz HTNLWEMPQBLJFA-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1CCC[N@@H+](CCCN)[C@@H]1C 50563675 343284214 /nfs/dbraw/zinc/28/42/14/343284214.db2.gz HTNLWEMPQBLJFA-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CCCC[C@@H](C)[NH2+]CC[C@H](C)N 50890056 343286657 /nfs/dbraw/zinc/28/66/57/343286657.db2.gz IDLNECCLVVBIDF-VHSXEESVSA-N 1 3 172.316 1.892 20 0 ADADHO CCCC[C@H](C)[NH2+]CC[C@H](C)N 50890057 343286767 /nfs/dbraw/zinc/28/67/67/343286767.db2.gz IDLNECCLVVBIDF-UWVGGRQHSA-N 1 3 172.316 1.892 20 0 ADADHO CCCCN(C)CC(C)(C)C[NH3+] 51211462 343289604 /nfs/dbraw/zinc/28/96/04/343289604.db2.gz YMLNHUBXVFLCLY-UHFFFAOYSA-N 1 3 172.316 1.703 20 0 ADADHO CC(C)N(C)CC(C)(C)C[NH3+] 51210882 343289680 /nfs/dbraw/zinc/28/96/80/343289680.db2.gz OTHNVYCGNRKUMU-UHFFFAOYSA-N 1 3 158.289 1.312 20 0 ADADHO C[C@H]1CCCN1C[C@@H]1CC[NH2+]C1 51889569 343295832 /nfs/dbraw/zinc/29/58/32/343295832.db2.gz LPYNCKMTSXWOJE-VHSXEESVSA-N 1 3 168.284 1.080 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@H](N)C[C@@H]1C 54472811 343324660 /nfs/dbraw/zinc/32/46/60/343324660.db2.gz OLLNGCIEGWCOFC-DCAQKATOSA-N 1 3 184.327 1.844 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@H](N)C[C@@H]1C 54472811 343324664 /nfs/dbraw/zinc/32/46/64/343324664.db2.gz OLLNGCIEGWCOFC-DCAQKATOSA-N 1 3 184.327 1.844 20 0 ADADHO CC[C@H](C)CN1CC[C@H]([NH3+])C[C@@H]1C 54472811 343324667 /nfs/dbraw/zinc/32/46/67/343324667.db2.gz OLLNGCIEGWCOFC-DCAQKATOSA-N 1 3 184.327 1.844 20 0 ADADHO CC1(C)CC[NH+](CCCN)CC1 61818781 343364060 /nfs/dbraw/zinc/36/40/60/343364060.db2.gz YVMACWYUJMRASZ-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CC1(C)CCN(CCC[NH3+])CC1 61818781 343364061 /nfs/dbraw/zinc/36/40/61/343364061.db2.gz YVMACWYUJMRASZ-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO C[C@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 62862332 343383533 /nfs/dbraw/zinc/38/35/33/343383533.db2.gz UBWSXMQDVLOPJL-NWDGAFQWSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@H]1CCC[N@@H+]1C[C@]1(C)CCCNC1 62862162 343383462 /nfs/dbraw/zinc/38/34/62/343383462.db2.gz LUAIRHUGZCHBGQ-NWDGAFQWSA-N 1 3 196.338 1.860 20 0 ADADHO C[C@H]1CCC[N@H+]1C[C@]1(C)CCCNC1 62862162 343383465 /nfs/dbraw/zinc/38/34/65/343383465.db2.gz LUAIRHUGZCHBGQ-NWDGAFQWSA-N 1 3 196.338 1.860 20 0 ADADHO CC(C)[NH2+]C[C@@]1(C)CCCNC1 62862220 343383486 /nfs/dbraw/zinc/38/34/86/343383486.db2.gz QOWYWHHVYQRMML-JTQLQIEISA-N 1 3 170.300 1.374 20 0 ADADHO C[C@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 62862332 343383531 /nfs/dbraw/zinc/38/35/31/343383531.db2.gz UBWSXMQDVLOPJL-NWDGAFQWSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 62862331 343383671 /nfs/dbraw/zinc/38/36/71/343383671.db2.gz UBWSXMQDVLOPJL-VXGBXAGGSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 62862331 343383673 /nfs/dbraw/zinc/38/36/73/343383673.db2.gz UBWSXMQDVLOPJL-VXGBXAGGSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@]1(C[NH+]2CCCC2)CCCNC1 62861596 343383686 /nfs/dbraw/zinc/38/36/86/343383686.db2.gz NVENDACCZONFBF-NSHDSACASA-N 1 3 182.311 1.472 20 0 ADADHO C[C@]1(CN2CCCC2)CCC[NH2+]C1 62861596 343383688 /nfs/dbraw/zinc/38/36/88/343383688.db2.gz NVENDACCZONFBF-NSHDSACASA-N 1 3 182.311 1.472 20 0 ADADHO CC(C)[NH2+]C[C@]1(C)CCCNC1 62862219 343383749 /nfs/dbraw/zinc/38/37/49/343383749.db2.gz QOWYWHHVYQRMML-SNVBAGLBSA-N 1 3 170.300 1.374 20 0 ADADHO CC1CCC(CN2CC[C@H]([NH3+])C2)CC1 63145712 343402996 /nfs/dbraw/zinc/40/29/96/343402996.db2.gz YXQODXHMCVTGMH-MCIGGMRASA-N 1 3 196.338 1.846 20 0 ADADHO CC1CCC(CN2CC[C@@H]([NH3+])C2)CC1 63145714 343403074 /nfs/dbraw/zinc/40/30/74/343403074.db2.gz YXQODXHMCVTGMH-HTAVTVPLSA-N 1 3 196.338 1.846 20 0 ADADHO NC[C@H]1CCC[N@@H+](C2CCC2)C1 68954782 343416912 /nfs/dbraw/zinc/41/69/12/343416912.db2.gz BOAAVCSXHJSFGO-SECBINFHSA-N 1 3 168.284 1.210 20 0 ADADHO NC[C@H]1CCC[N@H+](C2CCC2)C1 68954782 343416914 /nfs/dbraw/zinc/41/69/14/343416914.db2.gz BOAAVCSXHJSFGO-SECBINFHSA-N 1 3 168.284 1.210 20 0 ADADHO [NH3+]C[C@H]1CCCN(C2CCC2)C1 68954782 343416915 /nfs/dbraw/zinc/41/69/15/343416915.db2.gz BOAAVCSXHJSFGO-SECBINFHSA-N 1 3 168.284 1.210 20 0 ADADHO NC[C@@H]1CCC[N@@H+](C2CCC2)C1 68954784 343417004 /nfs/dbraw/zinc/41/70/04/343417004.db2.gz BOAAVCSXHJSFGO-VIFPVBQESA-N 1 3 168.284 1.210 20 0 ADADHO NC[C@@H]1CCC[N@H+](C2CCC2)C1 68954784 343417007 /nfs/dbraw/zinc/41/70/07/343417007.db2.gz BOAAVCSXHJSFGO-VIFPVBQESA-N 1 3 168.284 1.210 20 0 ADADHO [NH3+]C[C@@H]1CCCN(C2CCC2)C1 68954784 343417010 /nfs/dbraw/zinc/41/70/10/343417010.db2.gz BOAAVCSXHJSFGO-VIFPVBQESA-N 1 3 168.284 1.210 20 0 ADADHO C[C@H]1CN(CCC[NH3+])C[C@H](C)S1 69908136 343455835 /nfs/dbraw/zinc/45/58/35/343455835.db2.gz DYIJFTHEJNTVBL-IUCAKERBSA-N 1 3 188.340 1.161 20 0 ADADHO C[C@H]1CN(CCC[NH3+])C[C@@H](C)S1 69908135 343456013 /nfs/dbraw/zinc/45/60/13/343456013.db2.gz DYIJFTHEJNTVBL-DTORHVGOSA-N 1 3 188.340 1.161 20 0 ADADHO Cc1c[nH+]ccc1NCCN(C)C 70046517 343469458 /nfs/dbraw/zinc/46/94/58/343469458.db2.gz VTAZWYGCZATRII-UHFFFAOYSA-N 1 3 179.267 1.364 20 0 ADADHO CC1(C)CCC[N@H+](CCCN)C1 70534879 343489829 /nfs/dbraw/zinc/48/98/29/343489829.db2.gz LXJXRNLURPPICA-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CC1(C)CCC[N@@H+](CCCN)C1 70534879 343489832 /nfs/dbraw/zinc/48/98/32/343489832.db2.gz LXJXRNLURPPICA-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CC1(C)CCCN(CCC[NH3+])C1 70534879 343489834 /nfs/dbraw/zinc/48/98/34/343489834.db2.gz LXJXRNLURPPICA-UHFFFAOYSA-N 1 3 170.300 1.457 20 0 ADADHO CC(C)(C)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 78570906 343583077 /nfs/dbraw/zinc/58/30/77/343583077.db2.gz LZYOAWKVLKECFS-QWRGUYRKSA-N 1 3 196.338 1.574 20 0 ADADHO CC(C)(C)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 78570899 343583445 /nfs/dbraw/zinc/58/34/45/343583445.db2.gz LZYOAWKVLKECFS-GHMZBOCLSA-N 1 3 196.338 1.574 20 0 ADADHO CCCCCN1C[C@@H]2C[NH2+]C[C@@H]2C1 79618544 343589699 /nfs/dbraw/zinc/58/96/99/343589699.db2.gz HJXJDTGTZSGOQT-PHIMTYICSA-N 1 3 182.311 1.328 20 0 ADADHO C[C@@H]1CC[C@@H](C)[N@H+](CCCN)C1 84045092 343629920 /nfs/dbraw/zinc/62/99/20/343629920.db2.gz CRGBWCVNBGYLBQ-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@@H]1CC[C@@H](C)[N@@H+](CCCN)C1 84045092 343629923 /nfs/dbraw/zinc/62/99/23/343629923.db2.gz CRGBWCVNBGYLBQ-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1CC[C@H](C)[N@H+](CCCN)C1 84045089 343630048 /nfs/dbraw/zinc/63/00/48/343630048.db2.gz CRGBWCVNBGYLBQ-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1CC[C@H](C)[N@@H+](CCCN)C1 84045089 343630050 /nfs/dbraw/zinc/63/00/50/343630050.db2.gz CRGBWCVNBGYLBQ-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)[NH2+][C@H]1CCCC[C@@H]1CN 84215385 343632005 /nfs/dbraw/zinc/63/20/05/343632005.db2.gz VTRFTHQTXSPHNJ-ZJUUUORDSA-N 1 3 170.300 1.502 20 0 ADADHO CC[NH2+][C@H]1CCCC[C@H]1CN 84215111 343632011 /nfs/dbraw/zinc/63/20/11/343632011.db2.gz OTFYIQBYEPUPMW-IUCAKERBSA-N 1 3 156.273 1.113 20 0 ADADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCC1 84221437 343632048 /nfs/dbraw/zinc/63/20/48/343632048.db2.gz QWGADXBWKKKYGW-PSASIEDQSA-N 1 3 168.284 1.256 20 0 ADADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CC1 84215306 343632058 /nfs/dbraw/zinc/63/20/58/343632058.db2.gz OAXIQBGTZXHTMB-WCBMZHEXSA-N 1 3 168.284 1.256 20 0 ADADHO CSCC[NH2+][C@@H]1CCC[C@@H]1CN 84222133 343632091 /nfs/dbraw/zinc/63/20/91/343632091.db2.gz AIRPXXGOVPJFCY-RKDXNWHRSA-N 1 3 188.340 1.066 20 0 ADADHO CSCCN[C@@H]1CCC[C@@H]1C[NH3+] 84222133 343632093 /nfs/dbraw/zinc/63/20/93/343632093.db2.gz AIRPXXGOVPJFCY-RKDXNWHRSA-N 1 3 188.340 1.066 20 0 ADADHO CC[NH2+][C@@H]1CCCC[C@@H]1CN 84215104 343632109 /nfs/dbraw/zinc/63/21/09/343632109.db2.gz OTFYIQBYEPUPMW-RKDXNWHRSA-N 1 3 156.273 1.113 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCC1 84221447 343632135 /nfs/dbraw/zinc/63/21/35/343632135.db2.gz QWGADXBWKKKYGW-WCBMZHEXSA-N 1 3 168.284 1.256 20 0 ADADHO CSCC[NH2+][C@H]1CCC[C@H]1CN 84222143 343632203 /nfs/dbraw/zinc/63/22/03/343632203.db2.gz AIRPXXGOVPJFCY-IUCAKERBSA-N 1 3 188.340 1.066 20 0 ADADHO CSCCN[C@H]1CCC[C@H]1C[NH3+] 84222143 343632204 /nfs/dbraw/zinc/63/22/04/343632204.db2.gz AIRPXXGOVPJFCY-IUCAKERBSA-N 1 3 188.340 1.066 20 0 ADADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC1 84216703 343632222 /nfs/dbraw/zinc/63/22/22/343632222.db2.gz QOTHLFMUHDKTBI-KOLCDFICSA-N 1 3 182.311 1.646 20 0 ADADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCC1 84216705 343632240 /nfs/dbraw/zinc/63/22/40/343632240.db2.gz QOTHLFMUHDKTBI-MWLCHTKSSA-N 1 3 182.311 1.646 20 0 ADADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC1 84216701 343632251 /nfs/dbraw/zinc/63/22/51/343632251.db2.gz QOTHLFMUHDKTBI-GXSJLCMTSA-N 1 3 182.311 1.646 20 0 ADADHO CC(C)[NH2+][C@H]1CCCC[C@H]1CN 84215387 343632314 /nfs/dbraw/zinc/63/23/14/343632314.db2.gz VTRFTHQTXSPHNJ-UWVGGRQHSA-N 1 3 170.300 1.502 20 0 ADADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCCC1 84217346 343632317 /nfs/dbraw/zinc/63/23/17/343632317.db2.gz LWGCKZITNMEJLA-MWLCHTKSSA-N 1 3 182.311 1.646 20 0 ADADHO CSCC[NH2+][C@@H]1CCC[C@H]1CN 84222142 343632322 /nfs/dbraw/zinc/63/23/22/343632322.db2.gz AIRPXXGOVPJFCY-DTWKUNHWSA-N 1 3 188.340 1.066 20 0 ADADHO CSCCN[C@@H]1CCC[C@H]1C[NH3+] 84222142 343632323 /nfs/dbraw/zinc/63/23/23/343632323.db2.gz AIRPXXGOVPJFCY-DTWKUNHWSA-N 1 3 188.340 1.066 20 0 ADADHO CSCC[NH2+][C@H]1CCC[C@@H]1CN 84222135 343632326 /nfs/dbraw/zinc/63/23/26/343632326.db2.gz AIRPXXGOVPJFCY-BDAKNGLRSA-N 1 3 188.340 1.066 20 0 ADADHO CSCCN[C@H]1CCC[C@@H]1C[NH3+] 84222135 343632327 /nfs/dbraw/zinc/63/23/27/343632327.db2.gz AIRPXXGOVPJFCY-BDAKNGLRSA-N 1 3 188.340 1.066 20 0 ADADHO C[NH+](C)C1(CCN)CCCC1 84329147 343634162 /nfs/dbraw/zinc/63/41/62/343634162.db2.gz CBQNHKPVVMEGRM-UHFFFAOYSA-N 1 3 156.273 1.210 20 0 ADADHO C[NH+]1CCC(NCc2cc[nH]c2)CC1 85579012 343645080 /nfs/dbraw/zinc/64/50/80/343645080.db2.gz HTRUAIPDOIFVAT-UHFFFAOYSA-N 1 3 193.294 1.199 20 0 ADADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 86401637 343651358 /nfs/dbraw/zinc/65/13/58/343651358.db2.gz ZTDRWRVYHYMUBP-MWLCHTKSSA-N 1 3 182.311 1.789 20 0 ADADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CC2)C1 86401656 343651390 /nfs/dbraw/zinc/65/13/90/343651390.db2.gz ZDWCLYUDBWMECS-NXEZZACHSA-N 1 3 168.284 1.256 20 0 ADADHO N[C@@H]1CCC[C@H]([NH2+]CC2CC2)C1 86401660 343651394 /nfs/dbraw/zinc/65/13/94/343651394.db2.gz ZDWCLYUDBWMECS-ZJUUUORDSA-N 1 3 168.284 1.256 20 0 ADADHO CSCCN[C@@H]1CCC[C@H]([NH3+])C1 86404296 343651409 /nfs/dbraw/zinc/65/14/09/343651409.db2.gz AQDKCEQZKIJDRH-DTWKUNHWSA-N 1 3 188.340 1.209 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCC[C@H](N)C1 86401625 343651442 /nfs/dbraw/zinc/65/14/42/343651442.db2.gz LEMLTTMYPYPUHO-VHSXEESVSA-N 1 3 170.300 1.502 20 0 ADADHO N[C@@H]1CCC[C@H]([NH2+]C2CCCC2)C1 86401639 343651461 /nfs/dbraw/zinc/65/14/61/343651461.db2.gz ZTDRWRVYHYMUBP-KOLCDFICSA-N 1 3 182.311 1.789 20 0 ADADHO N[C@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 86401633 343651478 /nfs/dbraw/zinc/65/14/78/343651478.db2.gz ZTDRWRVYHYMUBP-GXSJLCMTSA-N 1 3 182.311 1.789 20 0 ADADHO CC(C)[NH2+][C@H](C)[C@H]1CCCNC1 86663322 343653417 /nfs/dbraw/zinc/65/34/17/343653417.db2.gz VDIRCVXEDVZTPA-ZJUUUORDSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)[NH2+][C@@H](C)[C@H]1CCCNC1 86663321 343653426 /nfs/dbraw/zinc/65/34/26/343653426.db2.gz VDIRCVXEDVZTPA-UWVGGRQHSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)[NH2+][C@@H](C)[C@@H]1CCCNC1 86663319 343653506 /nfs/dbraw/zinc/65/35/06/343653506.db2.gz VDIRCVXEDVZTPA-VHSXEESVSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)[NH2+][C@H](C)[C@@H]1CCCNC1 86663320 343653560 /nfs/dbraw/zinc/65/35/60/343653560.db2.gz VDIRCVXEDVZTPA-NXEZZACHSA-N 1 3 170.300 1.373 20 0 ADADHO C1CCCC([NH2+][C@H]2CCNC2)CC1 86725111 343653757 /nfs/dbraw/zinc/65/37/57/343653757.db2.gz LSQNSKXRBWQPHO-NSHDSACASA-N 1 3 182.311 1.661 20 0 ADADHO CC1CCC([NH2+][C@H]2CCNC2)CC1 86724760 343653769 /nfs/dbraw/zinc/65/37/69/343653769.db2.gz QPDQGGGORBYQKN-ILDUYXDCSA-N 1 3 182.311 1.517 20 0 ADADHO C1CCC(C[NH2+][C@H]2CCNC2)CC1 86726231 343653890 /nfs/dbraw/zinc/65/38/90/343653890.db2.gz NMFHHOAZYIRXFG-NSHDSACASA-N 1 3 182.311 1.518 20 0 ADADHO C1CCCC([NH2+][C@@H]2CCNC2)CC1 86725110 343654106 /nfs/dbraw/zinc/65/41/06/343654106.db2.gz LSQNSKXRBWQPHO-LLVKDONJSA-N 1 3 182.311 1.661 20 0 ADADHO CCC1CCC([NH2+][C@@H]2CCNC2)CC1 86729272 343654130 /nfs/dbraw/zinc/65/41/30/343654130.db2.gz RKLHCCZABAFJEE-HTAVTVPLSA-N 1 3 196.338 1.907 20 0 ADADHO C1CCC(C[NH2+][C@@H]2CCNC2)CC1 86726227 343654216 /nfs/dbraw/zinc/65/42/16/343654216.db2.gz NMFHHOAZYIRXFG-LLVKDONJSA-N 1 3 182.311 1.518 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCNC1)C1CCCCC1 86729793 343654395 /nfs/dbraw/zinc/65/43/95/343654395.db2.gz SFTCSJYKUAIJFI-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCNC1)C1CCCC1 86730275 343654420 /nfs/dbraw/zinc/65/44/20/343654420.db2.gz WJNKBVIGDWQJSW-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO CC1CCC(C[NH2+][C@@H]2CCNC2)CC1 86730023 343654429 /nfs/dbraw/zinc/65/44/29/343654429.db2.gz SVZGJTJGGOTLDY-HTAVTVPLSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCNC1)C1CCCC1 86730280 343654543 /nfs/dbraw/zinc/65/45/43/343654543.db2.gz WJNKBVIGDWQJSW-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)CCC([NH2+][C@H]2CCNC2)CC1 86730334 343654556 /nfs/dbraw/zinc/65/45/56/343654556.db2.gz IOVGCSMEAAYUJL-NSHDSACASA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C[NH2+][C@@H]2CCNC2)CCCC1 86730135 343654582 /nfs/dbraw/zinc/65/45/82/343654582.db2.gz ZQFJPECQNAKYCW-SNVBAGLBSA-N 1 3 182.311 1.518 20 0 ADADHO C[C@H]([NH2+][C@H]1CCNC1)C1CCCCC1 86729795 343654604 /nfs/dbraw/zinc/65/46/04/343654604.db2.gz SFTCSJYKUAIJFI-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCC([NH2+][C@@H]2CCNC2)CC1 86730332 343654645 /nfs/dbraw/zinc/65/46/45/343654645.db2.gz IOVGCSMEAAYUJL-LLVKDONJSA-N 1 3 196.338 1.907 20 0 ADADHO CC1CCC(C[NH2+][C@H]2CCNC2)CC1 86730025 343654664 /nfs/dbraw/zinc/65/46/64/343654664.db2.gz SVZGJTJGGOTLDY-MCIGGMRASA-N 1 3 196.338 1.764 20 0 ADADHO CC1(C[NH2+][C@H]2CCNC2)CCCC1 86730138 343654702 /nfs/dbraw/zinc/65/47/02/343654702.db2.gz ZQFJPECQNAKYCW-JTQLQIEISA-N 1 3 182.311 1.518 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCNC1)C1CCCC1 86730273 343654785 /nfs/dbraw/zinc/65/47/85/343654785.db2.gz WJNKBVIGDWQJSW-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCNC1)C1CCCCC1 86729797 343654803 /nfs/dbraw/zinc/65/48/03/343654803.db2.gz SFTCSJYKUAIJFI-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+][C@H]1CCNC1)C1CCCC1 86730278 343654829 /nfs/dbraw/zinc/65/48/29/343654829.db2.gz WJNKBVIGDWQJSW-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCNC1)C1CCCCC1 86729794 343654834 /nfs/dbraw/zinc/65/48/34/343654834.db2.gz SFTCSJYKUAIJFI-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCC[C@@H]1[NH2+]C1CCNCC1 86873006 343656605 /nfs/dbraw/zinc/65/66/05/343656605.db2.gz ZYKCRAWRYGQECL-NSHDSACASA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCCC[C@H]1[NH2+][C@H]1CCNC1 86873926 343656612 /nfs/dbraw/zinc/65/66/12/343656612.db2.gz SLJROCKBHFGGTP-WDEREUQCSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCNC1 86873182 343656709 /nfs/dbraw/zinc/65/67/09/343656709.db2.gz OANHNAZTUJPSML-UWVGGRQHSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)CCC[C@H]1[NH2+][C@H]1CCNC1 86873186 343656771 /nfs/dbraw/zinc/65/67/71/343656771.db2.gz OANHNAZTUJPSML-VHSXEESVSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCNC1 86873180 343656879 /nfs/dbraw/zinc/65/68/79/343656879.db2.gz OANHNAZTUJPSML-NXEZZACHSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCNC1 86873916 343656842 /nfs/dbraw/zinc/65/68/42/343656842.db2.gz SLJROCKBHFGGTP-GHMZBOCLSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCNC1 86873178 343656910 /nfs/dbraw/zinc/65/69/10/343656910.db2.gz OANHNAZTUJPSML-ZJUUUORDSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCNC1 86873913 343656987 /nfs/dbraw/zinc/65/69/87/343656987.db2.gz SLJROCKBHFGGTP-MNOVXSKESA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCNC1 86873920 343656992 /nfs/dbraw/zinc/65/69/92/343656992.db2.gz SLJROCKBHFGGTP-QWRGUYRKSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCC[C@H]1[NH2+]C1CCNCC1 86873011 343657002 /nfs/dbraw/zinc/65/70/02/343657002.db2.gz ZYKCRAWRYGQECL-LLVKDONJSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)([NH3+])CN1CCC(C)(C)C1 87255048 343658767 /nfs/dbraw/zinc/65/87/67/343658767.db2.gz XRZMQTWPVXZXDX-UHFFFAOYSA-N 1 3 170.300 1.456 20 0 ADADHO CC1(C)CC[N@H+](CCCN)C1 87232769 343658810 /nfs/dbraw/zinc/65/88/10/343658810.db2.gz AAEJWSYBJGOBOR-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO CC1(C)CC[N@@H+](CCCN)C1 87232769 343658813 /nfs/dbraw/zinc/65/88/13/343658813.db2.gz AAEJWSYBJGOBOR-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO CC1(C)CCN(CCC[NH3+])C1 87232769 343658816 /nfs/dbraw/zinc/65/88/16/343658816.db2.gz AAEJWSYBJGOBOR-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO CC1(C)CC[N@H+](C[C@@H]2CCCNC2)C1 87254576 343659041 /nfs/dbraw/zinc/65/90/41/343659041.db2.gz KTCABLBQSZKITK-LLVKDONJSA-N 1 3 196.338 1.718 20 0 ADADHO CC1(C)CC[N@@H+](C[C@@H]2CCCNC2)C1 87254576 343659043 /nfs/dbraw/zinc/65/90/43/343659043.db2.gz KTCABLBQSZKITK-LLVKDONJSA-N 1 3 196.338 1.718 20 0 ADADHO CC1(C)CC[N@H+](C[C@H]2CCCNC2)C1 87254578 343659054 /nfs/dbraw/zinc/65/90/54/343659054.db2.gz KTCABLBQSZKITK-NSHDSACASA-N 1 3 196.338 1.718 20 0 ADADHO C[C@H]1C[C@H]1CN(C)C1CC([NH3+])C1 87653570 343662642 /nfs/dbraw/zinc/66/26/42/343662642.db2.gz XPUCJBVBCZMXDF-DKEVHCRPSA-N 1 3 168.284 1.064 20 0 ADADHO CN(CC1CCCC1)C1CC([NH3+])C1 87653557 343662768 /nfs/dbraw/zinc/66/27/68/343662768.db2.gz WUDZXDRKAPWXGA-UHFFFAOYSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@@H]1C[C@@H]1CN(C)C1CC([NH3+])C1 87653567 343662800 /nfs/dbraw/zinc/66/28/00/343662800.db2.gz XPUCJBVBCZMXDF-LGUIWLBCSA-N 1 3 168.284 1.064 20 0 ADADHO CN(CC1CCC1)C1CC([NH3+])C1 87653488 343662949 /nfs/dbraw/zinc/66/29/49/343662949.db2.gz UFWQHXVAMHEIQP-UHFFFAOYSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@H]1C[C@@H]1CN(C)C1CC([NH3+])C1 87653568 343662964 /nfs/dbraw/zinc/66/29/64/343662964.db2.gz XPUCJBVBCZMXDF-AFWXGSBKSA-N 1 3 168.284 1.064 20 0 ADADHO C[C@@H]1C[C@H]1CN(C)C1CC([NH3+])C1 87653569 343662978 /nfs/dbraw/zinc/66/29/78/343662978.db2.gz XPUCJBVBCZMXDF-XHHQTKHESA-N 1 3 168.284 1.064 20 0 ADADHO C[C@@H]1CN(CCCF)CC[C@@H]1[NH3+] 88026451 343666487 /nfs/dbraw/zinc/66/64/87/343666487.db2.gz MAXXCQSDTSBCFA-BDAKNGLRSA-N 1 3 174.263 1.015 20 0 ADADHO C[C@H]1CN(CCCF)CC[C@@H]1[NH3+] 88026452 343666718 /nfs/dbraw/zinc/66/67/18/343666718.db2.gz MAXXCQSDTSBCFA-IUCAKERBSA-N 1 3 174.263 1.015 20 0 ADADHO C[N@@H+]1CCC[C@@H]1CCN1CCCCC1 90504962 343676318 /nfs/dbraw/zinc/67/63/18/343676318.db2.gz WIHVXUIGWLONNV-GFCCVEGCSA-N 1 3 196.338 1.957 20 0 ADADHO C[N@H+]1CCC[C@@H]1CCN1CCCCC1 90504962 343676320 /nfs/dbraw/zinc/67/63/20/343676320.db2.gz WIHVXUIGWLONNV-GFCCVEGCSA-N 1 3 196.338 1.957 20 0 ADADHO [NH3+][C@H]1CCN(CC2CCCCCC2)C1 91363172 343677516 /nfs/dbraw/zinc/67/75/16/343677516.db2.gz NBYAUZUYZUOBMA-LBPRGKRZSA-N 1 3 196.338 1.990 20 0 ADADHO CC(C)N1CCC2(CC[NH2+]2)CC1 95088266 343680009 /nfs/dbraw/zinc/68/00/09/343680009.db2.gz RJNBEOHYBZMWCF-UHFFFAOYSA-N 1 3 168.284 1.223 20 0 ADADHO CC[C@H]1CC[C@H](CCN)[NH2+]C1 95829507 343688065 /nfs/dbraw/zinc/68/80/65/343688065.db2.gz AXUPYWXAAIMZAZ-DTWKUNHWSA-N 1 3 156.273 1.113 20 0 ADADHO CC[C@@H]1CC[C@@H](CCN)[NH2+]C1 95829508 343688239 /nfs/dbraw/zinc/68/82/39/343688239.db2.gz AXUPYWXAAIMZAZ-BDAKNGLRSA-N 1 3 156.273 1.113 20 0 ADADHO CC[C@H]1CC[C@@H](CCN)[NH2+]C1 95829509 343688260 /nfs/dbraw/zinc/68/82/60/343688260.db2.gz AXUPYWXAAIMZAZ-IUCAKERBSA-N 1 3 156.273 1.113 20 0 ADADHO CC[C@@H]1CC[C@H](CCN)[NH2+]C1 95829506 343688309 /nfs/dbraw/zinc/68/83/09/343688309.db2.gz AXUPYWXAAIMZAZ-RKDXNWHRSA-N 1 3 156.273 1.113 20 0 ADADHO CC(C)N1CC[C@@]2(CC[NH2+]C2)C1 95937470 343691576 /nfs/dbraw/zinc/69/15/76/343691576.db2.gz ATGZUGOXTDMMAD-SNVBAGLBSA-N 1 3 168.284 1.080 20 0 ADADHO CC(C)N1CC[C@]2(CC[NH2+]C2)C1 95937469 343691730 /nfs/dbraw/zinc/69/17/30/343691730.db2.gz ATGZUGOXTDMMAD-JTQLQIEISA-N 1 3 168.284 1.080 20 0 ADADHO CC(C)[N@@H+]1C[C@@H](CN)C[C@@H]1C 107220492 343747278 /nfs/dbraw/zinc/74/72/78/343747278.db2.gz KYDKABHPNOSOMX-DTWKUNHWSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[N@H+]1C[C@@H](CN)C[C@@H]1C 107220492 343747279 /nfs/dbraw/zinc/74/72/79/343747279.db2.gz KYDKABHPNOSOMX-DTWKUNHWSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[N@@H+]1C[C@@H](CN)C[C@H]1C 107220487 343747556 /nfs/dbraw/zinc/74/75/56/343747556.db2.gz KYDKABHPNOSOMX-RKDXNWHRSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[N@H+]1C[C@@H](CN)C[C@H]1C 107220487 343747557 /nfs/dbraw/zinc/74/75/57/343747557.db2.gz KYDKABHPNOSOMX-RKDXNWHRSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[N@@H+]1C[C@H](CN)C[C@H]1C 107220494 343747982 /nfs/dbraw/zinc/74/79/82/343747982.db2.gz KYDKABHPNOSOMX-BDAKNGLRSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[N@H+]1C[C@H](CN)C[C@H]1C 107220494 343747984 /nfs/dbraw/zinc/74/79/84/343747984.db2.gz KYDKABHPNOSOMX-BDAKNGLRSA-N 1 3 156.273 1.064 20 0 ADADHO CC[C@H]1CCN(C[C@@H](C)[NH3+])C1 108283786 343750979 /nfs/dbraw/zinc/75/09/79/343750979.db2.gz OSRYYMOOXMXUEM-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO CC[C@H]1CCN(CC(C)(C)[NH3+])C1 108289096 343751570 /nfs/dbraw/zinc/75/15/70/343751570.db2.gz SAKXPAXDGCDMDK-VIFPVBQESA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)[C@@H]1CCN(C[C@@H](C)[NH3+])C1 108289124 343751714 /nfs/dbraw/zinc/75/17/14/343751714.db2.gz PXARKVGDRKDAQU-NXEZZACHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)[C@H]1CCN(C[C@@H](C)[NH3+])C1 108289126 343751842 /nfs/dbraw/zinc/75/18/42/343751842.db2.gz PXARKVGDRKDAQU-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)[C@@H]1CCN(CC(C)(C)[NH3+])C1 108297306 343751997 /nfs/dbraw/zinc/75/19/97/343751997.db2.gz UHCQIFUFQTWFAA-SNVBAGLBSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)[C@H]1CCN(CC(C)(C)[NH3+])C1 108297308 343752006 /nfs/dbraw/zinc/75/20/06/343752006.db2.gz UHCQIFUFQTWFAA-JTQLQIEISA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 108307282 343752139 /nfs/dbraw/zinc/75/21/39/343752139.db2.gz HBQVBIPKJCMHEJ-NWDGAFQWSA-N 1 3 196.338 1.718 20 0 ADADHO CC[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 108307282 343752141 /nfs/dbraw/zinc/75/21/41/343752141.db2.gz HBQVBIPKJCMHEJ-NWDGAFQWSA-N 1 3 196.338 1.718 20 0 ADADHO NCCC[N@@H+]1CCC2(CCCCC2)C1 114235253 343762112 /nfs/dbraw/zinc/76/21/12/343762112.db2.gz PTTDHUYPMWVOBD-UHFFFAOYSA-N 1 3 196.338 1.991 20 0 ADADHO NCCC[N@H+]1CCC2(CCCCC2)C1 114235253 343762114 /nfs/dbraw/zinc/76/21/14/343762114.db2.gz PTTDHUYPMWVOBD-UHFFFAOYSA-N 1 3 196.338 1.991 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1CCCC1 122298177 343778831 /nfs/dbraw/zinc/77/88/31/343778831.db2.gz ULRTYTGABLVMIV-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1CCCC1 122298177 343778833 /nfs/dbraw/zinc/77/88/33/343778833.db2.gz ULRTYTGABLVMIV-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1CCCC1 122297730 343778862 /nfs/dbraw/zinc/77/88/62/343778862.db2.gz ULRTYTGABLVMIV-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@H+]1CC1CCCC1 122297730 343778863 /nfs/dbraw/zinc/77/88/63/343778863.db2.gz ULRTYTGABLVMIV-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1CCC1 122368123 343779170 /nfs/dbraw/zinc/77/91/70/343779170.db2.gz YWYDZYCTUZFBBX-ONGXEEELSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1CCC1 122367687 343779367 /nfs/dbraw/zinc/77/93/67/343779367.db2.gz YWYDZYCTUZFBBX-GXSJLCMTSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@H+]1CC1CCC1 122367687 343779368 /nfs/dbraw/zinc/77/93/68/343779368.db2.gz YWYDZYCTUZFBBX-GXSJLCMTSA-N 1 3 182.311 1.456 20 0 ADADHO CC1CC([NH2+][C@H]2CCC[C@H](N)C2)C1 123319728 343782946 /nfs/dbraw/zinc/78/29/46/343782946.db2.gz MTVZKGMTDJHQLX-SEQHWMEXSA-N 1 3 182.311 1.644 20 0 ADADHO CC1CC([NH2+]C2CCNCC2)C1 123374019 343782952 /nfs/dbraw/zinc/78/29/52/343782952.db2.gz GPCHBXATJKPYCP-UHFFFAOYSA-N 1 3 168.284 1.127 20 0 ADADHO CC1CC(NC2CC[NH2+]CC2)C1 123374019 343782954 /nfs/dbraw/zinc/78/29/54/343782954.db2.gz GPCHBXATJKPYCP-UHFFFAOYSA-N 1 3 168.284 1.127 20 0 ADADHO CC1CC([NH2+][C@@H]2CCC[C@H](N)C2)C1 123319519 343782966 /nfs/dbraw/zinc/78/29/66/343782966.db2.gz MTVZKGMTDJHQLX-LIZLNQBYSA-N 1 3 182.311 1.644 20 0 ADADHO CC1CC([NH2+][C@@H]2CCCNCC2)C1 123347956 343782985 /nfs/dbraw/zinc/78/29/85/343782985.db2.gz ZDMSRTNVVDVETM-HSOILSAZSA-N 1 3 182.311 1.517 20 0 ADADHO CC1CC([NH2+][C@@H]2CCC[C@@H]2CN)C1 123331058 343783020 /nfs/dbraw/zinc/78/30/20/343783020.db2.gz JLZBENTVKLWLNQ-VGRIYTJTSA-N 1 3 182.311 1.502 20 0 ADADHO CC1CC([NH2+][C@H]2CCC[C@@H]2CN)C1 123331223 343783025 /nfs/dbraw/zinc/78/30/25/343783025.db2.gz JLZBENTVKLWLNQ-DJRKXVOMSA-N 1 3 182.311 1.502 20 0 ADADHO CC1CC([NH2+]C[C@@H]2CCCNC2)C1 123377649 343783113 /nfs/dbraw/zinc/78/31/13/343783113.db2.gz MPTDTMMYYIAWEV-HSOILSAZSA-N 1 3 182.311 1.374 20 0 ADADHO CC1CC([NH2+][C@H]2CCCC[C@H]2CN)C1 123317792 343783128 /nfs/dbraw/zinc/78/31/28/343783128.db2.gz KJYNTVMIVPKWAK-ADPBJBESSA-N 1 3 196.338 1.892 20 0 ADADHO CC1CC([NH2+][C@H]2CCCNCC2)C1 123348173 343783189 /nfs/dbraw/zinc/78/31/89/343783189.db2.gz ZDMSRTNVVDVETM-YVNMAJEFSA-N 1 3 182.311 1.517 20 0 ADADHO CC1CC([NH2+]C[C@H]2CCCNC2)C1 123377869 343783193 /nfs/dbraw/zinc/78/31/93/343783193.db2.gz MPTDTMMYYIAWEV-YVNMAJEFSA-N 1 3 182.311 1.374 20 0 ADADHO CC1CC([NH2+][C@H]2CCC[C@@H](N)C2)C1 123320184 343783240 /nfs/dbraw/zinc/78/32/40/343783240.db2.gz MTVZKGMTDJHQLX-WIFZPCQCSA-N 1 3 182.311 1.644 20 0 ADADHO CC1CC([NH2+][C@@H]2CCC[C@@H](N)C2)C1 123319986 343783253 /nfs/dbraw/zinc/78/32/53/343783253.db2.gz MTVZKGMTDJHQLX-WYNUPADASA-N 1 3 182.311 1.644 20 0 ADADHO CC1CC([NH2+][C@@H]2CCCC[C@H]2CN)C1 123317591 343783283 /nfs/dbraw/zinc/78/32/83/343783283.db2.gz KJYNTVMIVPKWAK-POSLAHMBSA-N 1 3 196.338 1.892 20 0 ADADHO CC1CC([NH2+][C@@H]2CCC[C@H]2CN)C1 123331434 343783288 /nfs/dbraw/zinc/78/32/88/343783288.db2.gz JLZBENTVKLWLNQ-QONHTCSSSA-N 1 3 182.311 1.502 20 0 ADADHO CC1CC([NH2+][C@H]2CCC[C@H]2CN)C1 123331675 343783297 /nfs/dbraw/zinc/78/32/97/343783297.db2.gz JLZBENTVKLWLNQ-YIYTYNFBSA-N 1 3 182.311 1.502 20 0 ADADHO CC1CC([NH2+][C@H]2CCCC[C@@H]2CN)C1 123317374 343783323 /nfs/dbraw/zinc/78/33/23/343783323.db2.gz KJYNTVMIVPKWAK-RSJDFQLWSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H]1SCCN(CCC[NH3+])[C@@H]1C 123772146 343784123 /nfs/dbraw/zinc/78/41/23/343784123.db2.gz SQOANSDQPDVDRA-RKDXNWHRSA-N 1 3 188.340 1.161 20 0 ADADHO CC1CC([NH2+]C[C@]2(C)CCCNC2)C1 123533727 343784379 /nfs/dbraw/zinc/78/43/79/343784379.db2.gz PLUPFONKFXEDNB-HTAVTVPLSA-N 1 3 196.338 1.764 20 0 ADADHO CSCC[C@H](C)N(C)CCC[NH3+] 123814026 343784215 /nfs/dbraw/zinc/78/42/15/343784215.db2.gz NHASDRQRYQOMOI-VIFPVBQESA-N 1 3 190.356 1.409 20 0 ADADHO CSCC[C@H](C)[N@H+](C)CCCN 123814026 343784217 /nfs/dbraw/zinc/78/42/17/343784217.db2.gz NHASDRQRYQOMOI-VIFPVBQESA-N 1 3 190.356 1.409 20 0 ADADHO CSCC[C@H](C)[N@@H+](C)CCCN 123814026 343784220 /nfs/dbraw/zinc/78/42/20/343784220.db2.gz NHASDRQRYQOMOI-VIFPVBQESA-N 1 3 190.356 1.409 20 0 ADADHO CC1CC(NCC2([NH3+])CCC2)C1 123603295 343784253 /nfs/dbraw/zinc/78/42/53/343784253.db2.gz MNXLIDDOERWFJS-UHFFFAOYSA-N 1 3 168.284 1.256 20 0 ADADHO CC1CC([NH2+]CC[C@H](C)N)C1 123567913 343784337 /nfs/dbraw/zinc/78/43/37/343784337.db2.gz MOCJTHLJROUGKF-MGURRDGZSA-N 1 3 156.273 1.112 20 0 ADADHO CC1CC(NCC[C@H](C)[NH3+])C1 123567913 343784340 /nfs/dbraw/zinc/78/43/40/343784340.db2.gz MOCJTHLJROUGKF-MGURRDGZSA-N 1 3 156.273 1.112 20 0 ADADHO CC1CC(NCC(C)(C)[NH3+])C1 123594459 343784404 /nfs/dbraw/zinc/78/44/04/343784404.db2.gz CRTAEHNNWCEPHH-UHFFFAOYSA-N 1 3 156.273 1.112 20 0 ADADHO CSCC[C@@H](C)N(C)CCC[NH3+] 123814258 343784425 /nfs/dbraw/zinc/78/44/25/343784425.db2.gz NHASDRQRYQOMOI-SECBINFHSA-N 1 3 190.356 1.409 20 0 ADADHO CSCC[C@@H](C)[N@H+](C)CCCN 123814258 343784427 /nfs/dbraw/zinc/78/44/27/343784427.db2.gz NHASDRQRYQOMOI-SECBINFHSA-N 1 3 190.356 1.409 20 0 ADADHO CSCC[C@@H](C)[N@@H+](C)CCCN 123814258 343784428 /nfs/dbraw/zinc/78/44/28/343784428.db2.gz NHASDRQRYQOMOI-SECBINFHSA-N 1 3 190.356 1.409 20 0 ADADHO C[C@H]1[C@@H](C)SCCN1CCC[NH3+] 123772367 343784434 /nfs/dbraw/zinc/78/44/34/343784434.db2.gz SQOANSDQPDVDRA-DTWKUNHWSA-N 1 3 188.340 1.161 20 0 ADADHO CC1CC([NH2+]C[C@@]2(C)CCCNC2)C1 123533921 343784650 /nfs/dbraw/zinc/78/46/50/343784650.db2.gz PLUPFONKFXEDNB-MCIGGMRASA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]([NH2+]C1CCNCC1)C1CCC1 123947318 343785044 /nfs/dbraw/zinc/78/50/44/343785044.db2.gz ZQRUROPSYFREIE-VIFPVBQESA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCNC1)C1CCC1 123954614 343785149 /nfs/dbraw/zinc/78/51/49/343785149.db2.gz GFJYAEPTNLOQPG-WCBMZHEXSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]([NH2+][C@H]1CCNC1)C1CCC1 123955050 343785261 /nfs/dbraw/zinc/78/52/61/343785261.db2.gz GFJYAEPTNLOQPG-WPRPVWTQSA-N 1 3 168.284 1.127 20 0 ADADHO CN(C[C@@]1(C)CCC[NH2+]C1)C1CCC1 127561115 343813987 /nfs/dbraw/zinc/81/39/87/343813987.db2.gz HQQFYKGDFYLPGL-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO C[N@H+](C[C@@]1(C)CCCNC1)C1CCC1 127561115 343813988 /nfs/dbraw/zinc/81/39/88/343813988.db2.gz HQQFYKGDFYLPGL-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO C[N@@H+](C[C@@]1(C)CCCNC1)C1CCC1 127561115 343813990 /nfs/dbraw/zinc/81/39/90/343813990.db2.gz HQQFYKGDFYLPGL-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO CC[C@H](C)CN1CC[C@@H]([NH3+])C1 130766148 343874664 /nfs/dbraw/zinc/87/46/64/343874664.db2.gz MNFIPDFEZQSIKU-DTWKUNHWSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCNC2)C1 128427678 343831450 /nfs/dbraw/zinc/83/14/50/343831450.db2.gz QXGMSTYCSMNGAF-UTUOFQBUSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCNC2)C1 128428122 343831509 /nfs/dbraw/zinc/83/15/09/343831509.db2.gz QXGMSTYCSMNGAF-IJLUTSLNSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC2)C1 128549832 343833241 /nfs/dbraw/zinc/83/32/41/343833241.db2.gz XTFGEXXLGNAKSV-OPRDCNLKSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1CC[C@H]([NH2+]C2CCNCC2)C1 128542534 343833329 /nfs/dbraw/zinc/83/33/29/343833329.db2.gz HMLNWACKEUTJMH-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC2)C1 128549407 343833396 /nfs/dbraw/zinc/83/33/96/343833396.db2.gz XTFGEXXLGNAKSV-KXUCPTDWSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1CC[C@@H]([NH2+]C2CCNCC2)C1 128542962 343833413 /nfs/dbraw/zinc/83/34/13/343833413.db2.gz HMLNWACKEUTJMH-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)CC[C@H]([NH2+][C@@H]2CCNC2)C1 128607888 343834557 /nfs/dbraw/zinc/83/45/57/343834557.db2.gz CUANOXHATFTZLR-VHSXEESVSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)CC[C@H]([NH2+][C@H]2CCNC2)C1 128608349 343834630 /nfs/dbraw/zinc/83/46/30/343834630.db2.gz CUANOXHATFTZLR-UWVGGRQHSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)CC[C@@H]([NH2+][C@@H]2CCNC2)C1 128608099 343834803 /nfs/dbraw/zinc/83/48/03/343834803.db2.gz CUANOXHATFTZLR-NXEZZACHSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)CC[C@@H]([NH2+]C2CCNCC2)C1 128605417 343834882 /nfs/dbraw/zinc/83/48/82/343834882.db2.gz VUDGVYRYULXPGG-LLVKDONJSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CC[C@@H]([NH2+][C@H]2CCNC2)C1 128608558 343835030 /nfs/dbraw/zinc/83/50/30/343835030.db2.gz CUANOXHATFTZLR-ZJUUUORDSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)CC[C@H]([NH2+]C2CCNCC2)C1 128605192 343835035 /nfs/dbraw/zinc/83/50/35/343835035.db2.gz VUDGVYRYULXPGG-NSHDSACASA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CC[N@H+](CCCN)C[C@@H]1C 129400240 343849174 /nfs/dbraw/zinc/84/91/74/343849174.db2.gz VHJYFVIAWPFZFU-UWVGGRQHSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@H]1CC[N@@H+](CCCN)C[C@@H]1C 129400240 343849177 /nfs/dbraw/zinc/84/91/77/343849177.db2.gz VHJYFVIAWPFZFU-UWVGGRQHSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@H]1CCN(CCC[NH3+])C[C@@H]1C 129400240 343849179 /nfs/dbraw/zinc/84/91/79/343849179.db2.gz VHJYFVIAWPFZFU-UWVGGRQHSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CCC(C)(C)C1 129506164 343851809 /nfs/dbraw/zinc/85/18/09/343851809.db2.gz KNTACOFNYNMBOC-UWVGGRQHSA-N 1 3 184.327 1.892 20 0 ADADHO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCCN2)C1 129522479 343851948 /nfs/dbraw/zinc/85/19/48/343851948.db2.gz PHRPCGSWDLVRHU-MNOVXSKESA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CC[C@@H]([NH2+]C[C@H]2CCCN2)C1 129522920 343851965 /nfs/dbraw/zinc/85/19/65/343851965.db2.gz PHRPCGSWDLVRHU-GHMZBOCLSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CC[C@H]([NH2+]C[C@@H]2CCCN2)C1 129522263 343851990 /nfs/dbraw/zinc/85/19/90/343851990.db2.gz PHRPCGSWDLVRHU-QWRGUYRKSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CC[C@H]([NH2+]C[C@H]2CCCN2)C1 129522678 343852009 /nfs/dbraw/zinc/85/20/09/343852009.db2.gz PHRPCGSWDLVRHU-WDEREUQCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CCC(C)(C)C1 129505728 343852081 /nfs/dbraw/zinc/85/20/81/343852081.db2.gz KNTACOFNYNMBOC-VHSXEESVSA-N 1 3 184.327 1.892 20 0 ADADHO CC1(C)CC[C@H]([NH2+]CC2CNC2)C1 129590029 343853722 /nfs/dbraw/zinc/85/37/22/343853722.db2.gz JWTDUSYGGWGOCC-JTQLQIEISA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H]([NH2+]C1CCCC1)[C@H]1CCCNC1 129790660 343856717 /nfs/dbraw/zinc/85/67/17/343856717.db2.gz YVVPLAJPUDVXSU-QWRGUYRKSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+]C1CCCC1)[C@@H]1CCCNC1 129790230 343856769 /nfs/dbraw/zinc/85/67/69/343856769.db2.gz YVVPLAJPUDVXSU-WDEREUQCSA-N 1 3 196.338 1.907 20 0 ADADHO NCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 134811580 343949616 /nfs/dbraw/zinc/94/96/16/343949616.db2.gz OOVZKAVXVQYVOU-QWRGUYRKSA-N 1 3 182.311 1.600 20 0 ADADHO NCCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 134811580 343949617 /nfs/dbraw/zinc/94/96/17/343949617.db2.gz OOVZKAVXVQYVOU-QWRGUYRKSA-N 1 3 182.311 1.600 20 0 ADADHO CC1(C)CN(CCC[NH3+])CCS1 135210370 343957494 /nfs/dbraw/zinc/95/74/94/343957494.db2.gz DQHZOVSPXBMRGT-UHFFFAOYSA-N 1 3 188.340 1.163 20 0 ADADHO [NH3+][C@]1(c2ccccc2)CCCNC1 139934889 343996709 /nfs/dbraw/zinc/99/67/09/343996709.db2.gz LYSFIDBNYMKEQT-LLVKDONJSA-N 1 3 176.263 1.224 20 0 ADADHO [NH3+][C@@]1(c2ccccc2)CCCNC1 139935026 343996940 /nfs/dbraw/zinc/99/69/40/343996940.db2.gz LYSFIDBNYMKEQT-NSHDSACASA-N 1 3 176.263 1.224 20 0 ADADHO C[C@@H](C[NH2+]CCCN)c1ccncc1 143480529 344019355 /nfs/dbraw/zinc/01/93/55/344019355.db2.gz HVRSCOFLVYZWQB-JTQLQIEISA-N 1 3 193.294 1.124 20 0 ADADHO C[C@@H](CNCCC[NH3+])c1ccncc1 143480529 344019357 /nfs/dbraw/zinc/01/93/57/344019357.db2.gz HVRSCOFLVYZWQB-JTQLQIEISA-N 1 3 193.294 1.124 20 0 ADADHO C[C@H](C[NH2+]CCCN)c1ccncc1 143480746 344019530 /nfs/dbraw/zinc/01/95/30/344019530.db2.gz HVRSCOFLVYZWQB-SNVBAGLBSA-N 1 3 193.294 1.124 20 0 ADADHO C[C@H](CNCCC[NH3+])c1ccncc1 143480746 344019533 /nfs/dbraw/zinc/01/95/33/344019533.db2.gz HVRSCOFLVYZWQB-SNVBAGLBSA-N 1 3 193.294 1.124 20 0 ADADHO CC1(C)CCC[C@@H]([NH2+][C@H]2CCNC2)C1 149320684 344063805 /nfs/dbraw/zinc/06/38/05/344063805.db2.gz RSQIFBWCWDIIMU-MNOVXSKESA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCNC2)C1 149320307 344063889 /nfs/dbraw/zinc/06/38/89/344063889.db2.gz RSQIFBWCWDIIMU-GHMZBOCLSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCC[C@H]([NH2+][C@H]2CCNC2)C1 149320516 344064013 /nfs/dbraw/zinc/06/40/13/344064013.db2.gz RSQIFBWCWDIIMU-QWRGUYRKSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCC[C@H]([NH2+][C@@H]2CCNC2)C1 149320090 344064245 /nfs/dbraw/zinc/06/42/45/344064245.db2.gz RSQIFBWCWDIIMU-WDEREUQCSA-N 1 3 196.338 1.907 20 0 ADADHO CSCCCN(C)CCC[NH3+] 149360220 344064424 /nfs/dbraw/zinc/06/44/24/344064424.db2.gz OCCKRLHETHDJRR-UHFFFAOYSA-N 1 3 176.329 1.020 20 0 ADADHO CC(C)N1CC[C@@H](C[NH+](C)C)C1 149608308 344068683 /nfs/dbraw/zinc/06/86/83/344068683.db2.gz JAQOFZMKPFTVRM-JTQLQIEISA-N 1 3 170.300 1.278 20 0 ADADHO CC(C)N1CC[C@H](C[NH+](C)C)C1 149608496 344068715 /nfs/dbraw/zinc/06/87/15/344068715.db2.gz JAQOFZMKPFTVRM-SNVBAGLBSA-N 1 3 170.300 1.278 20 0 ADADHO CC(C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 155778296 344080157 /nfs/dbraw/zinc/08/01/57/344080157.db2.gz UQJQBBPHFGNKOZ-WDEREUQCSA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 155778296 344080158 /nfs/dbraw/zinc/08/01/58/344080158.db2.gz UQJQBBPHFGNKOZ-WDEREUQCSA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 155778296 344080161 /nfs/dbraw/zinc/08/01/61/344080161.db2.gz UQJQBBPHFGNKOZ-WDEREUQCSA-N 1 3 182.311 1.611 20 0 ADADHO CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 155773942 344080173 /nfs/dbraw/zinc/08/01/73/344080173.db2.gz OBCSIPRHLHQVBH-GHMZBOCLSA-N 1 3 182.311 1.613 20 0 ADADHO CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 155773942 344080176 /nfs/dbraw/zinc/08/01/76/344080176.db2.gz OBCSIPRHLHQVBH-GHMZBOCLSA-N 1 3 182.311 1.613 20 0 ADADHO CCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 155773942 344080177 /nfs/dbraw/zinc/08/01/77/344080177.db2.gz OBCSIPRHLHQVBH-GHMZBOCLSA-N 1 3 182.311 1.613 20 0 ADADHO CC(C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 155778198 344080484 /nfs/dbraw/zinc/08/04/84/344080484.db2.gz UQJQBBPHFGNKOZ-GHMZBOCLSA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 155778198 344080486 /nfs/dbraw/zinc/08/04/86/344080486.db2.gz UQJQBBPHFGNKOZ-GHMZBOCLSA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 155778198 344080488 /nfs/dbraw/zinc/08/04/88/344080488.db2.gz UQJQBBPHFGNKOZ-GHMZBOCLSA-N 1 3 182.311 1.611 20 0 ADADHO C[C@H]([NH3+])CN1C[C@@H]2CCC[C@H]2C1 156546424 344090853 /nfs/dbraw/zinc/09/08/53/344090853.db2.gz NPADXJMQKICCOX-GUBZILKMSA-N 1 3 168.284 1.066 20 0 ADADHO CC[C@H](C)[NH2+][C@@H]1CCCNCC1 157400718 344105508 /nfs/dbraw/zinc/10/55/08/344105508.db2.gz CXTVENBCFJXDKU-VHSXEESVSA-N 1 3 170.300 1.517 20 0 ADADHO CC[C@@H](C)[NH2+][C@H]1CCCNCC1 157400861 344105537 /nfs/dbraw/zinc/10/55/37/344105537.db2.gz CXTVENBCFJXDKU-ZJUUUORDSA-N 1 3 170.300 1.517 20 0 ADADHO C1CNCC[C@@H]([NH2+]CC2CC2)C1 157401478 344105572 /nfs/dbraw/zinc/10/55/72/344105572.db2.gz PFJLCKGLSCLYRT-JTQLQIEISA-N 1 3 168.284 1.128 20 0 ADADHO CC[C@@H](C)[NH2+][C@@H]1CCCNCC1 157400567 344105588 /nfs/dbraw/zinc/10/55/88/344105588.db2.gz CXTVENBCFJXDKU-NXEZZACHSA-N 1 3 170.300 1.517 20 0 ADADHO CC[C@H](C)[NH2+][C@H]1CCCNCC1 157401019 344105669 /nfs/dbraw/zinc/10/56/69/344105669.db2.gz CXTVENBCFJXDKU-UWVGGRQHSA-N 1 3 170.300 1.517 20 0 ADADHO CC(C)C[NH2+][C@H]1CCCNCC1 157401303 344105935 /nfs/dbraw/zinc/10/59/35/344105935.db2.gz GSZHLXBUASPXDH-JTQLQIEISA-N 1 3 170.300 1.374 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCCNCC1 157401161 344105906 /nfs/dbraw/zinc/10/59/06/344105906.db2.gz GSZHLXBUASPXDH-SNVBAGLBSA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@H]1C[N@H+](CC(C)C)CC[C@@H]1N 157891722 344115955 /nfs/dbraw/zinc/11/59/55/344115955.db2.gz GAVJZMMBTPDMJW-QWRGUYRKSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H]1C[N@@H+](CC(C)C)CC[C@@H]1N 157891722 344115956 /nfs/dbraw/zinc/11/59/56/344115956.db2.gz GAVJZMMBTPDMJW-QWRGUYRKSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H]1CN(CC(C)C)CC[C@@H]1[NH3+] 157891722 344115958 /nfs/dbraw/zinc/11/59/58/344115958.db2.gz GAVJZMMBTPDMJW-QWRGUYRKSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H]1C[N@H+](CC2CC2)CC[C@@H]1N 157897083 344116120 /nfs/dbraw/zinc/11/61/20/344116120.db2.gz GTWCRTSXUAATIE-QWRGUYRKSA-N 1 3 182.311 1.456 20 0 ADADHO CC[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1N 157897083 344116122 /nfs/dbraw/zinc/11/61/22/344116122.db2.gz GTWCRTSXUAATIE-QWRGUYRKSA-N 1 3 182.311 1.456 20 0 ADADHO CC[C@H]1CN(CC2CC2)CC[C@@H]1[NH3+] 157897083 344116124 /nfs/dbraw/zinc/11/61/24/344116124.db2.gz GTWCRTSXUAATIE-QWRGUYRKSA-N 1 3 182.311 1.456 20 0 ADADHO CC[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1N 157896960 344116371 /nfs/dbraw/zinc/11/63/71/344116371.db2.gz GTWCRTSXUAATIE-MNOVXSKESA-N 1 3 182.311 1.456 20 0 ADADHO CC[C@@H]1C[N@H+](CC(C)C)CC[C@@H]1N 157891590 344116183 /nfs/dbraw/zinc/11/61/83/344116183.db2.gz GAVJZMMBTPDMJW-MNOVXSKESA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@@H]1C[N@@H+](CC(C)C)CC[C@@H]1N 157891590 344116186 /nfs/dbraw/zinc/11/61/86/344116186.db2.gz GAVJZMMBTPDMJW-MNOVXSKESA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@@H]1CN(CC(C)C)CC[C@@H]1[NH3+] 157891590 344116189 /nfs/dbraw/zinc/11/61/89/344116189.db2.gz GAVJZMMBTPDMJW-MNOVXSKESA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@@H]1CN(CC2CC2)CC[C@@H]1[NH3+] 157896960 344116374 /nfs/dbraw/zinc/11/63/74/344116374.db2.gz GTWCRTSXUAATIE-MNOVXSKESA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](N)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 158485581 344127738 /nfs/dbraw/zinc/12/77/38/344127738.db2.gz INFOFSRVSWOXFA-DCAQKATOSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H](N)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 158485581 344127741 /nfs/dbraw/zinc/12/77/41/344127741.db2.gz INFOFSRVSWOXFA-DCAQKATOSA-N 1 3 182.311 1.598 20 0 ADADHO CN(C[C@H]1CC[NH2+]C1)C1CCC1 158588752 344128805 /nfs/dbraw/zinc/12/88/05/344128805.db2.gz QLISBFBTXHOFNA-VIFPVBQESA-N 1 3 168.284 1.080 20 0 ADADHO CCSCCN1CC[C@H](C[NH3+])C1 158569899 344128899 /nfs/dbraw/zinc/12/88/99/344128899.db2.gz VBBUQYRCBWAOIP-SECBINFHSA-N 1 3 188.340 1.020 20 0 ADADHO CCSCCN(C)CCC[NH3+] 158580019 344129027 /nfs/dbraw/zinc/12/90/27/344129027.db2.gz SVQIFQPIPBQFMQ-UHFFFAOYSA-N 1 3 176.329 1.020 20 0 ADADHO CN(C[C@H]1CCC[NH2+]C1)C1CCC1 158588330 344129120 /nfs/dbraw/zinc/12/91/20/344129120.db2.gz CWGIVRJATHAXAJ-JTQLQIEISA-N 1 3 182.311 1.470 20 0 ADADHO C[N@H+](C[C@H]1CCCNC1)C1CCC1 158588330 344129122 /nfs/dbraw/zinc/12/91/22/344129122.db2.gz CWGIVRJATHAXAJ-JTQLQIEISA-N 1 3 182.311 1.470 20 0 ADADHO C[N@@H+](C[C@H]1CCCNC1)C1CCC1 158588330 344129124 /nfs/dbraw/zinc/12/91/24/344129124.db2.gz CWGIVRJATHAXAJ-JTQLQIEISA-N 1 3 182.311 1.470 20 0 ADADHO CCSCCN1CC[C@@H](C[NH3+])C1 158570049 344129137 /nfs/dbraw/zinc/12/91/37/344129137.db2.gz VBBUQYRCBWAOIP-VIFPVBQESA-N 1 3 188.340 1.020 20 0 ADADHO CN(C[C@@H]1CCC[NH2+]C1)C1CCC1 158588186 344129233 /nfs/dbraw/zinc/12/92/33/344129233.db2.gz CWGIVRJATHAXAJ-SNVBAGLBSA-N 1 3 182.311 1.470 20 0 ADADHO C[N@H+](C[C@@H]1CCCNC1)C1CCC1 158588186 344129234 /nfs/dbraw/zinc/12/92/34/344129234.db2.gz CWGIVRJATHAXAJ-SNVBAGLBSA-N 1 3 182.311 1.470 20 0 ADADHO C[N@@H+](C[C@@H]1CCCNC1)C1CCC1 158588186 344129235 /nfs/dbraw/zinc/12/92/35/344129235.db2.gz CWGIVRJATHAXAJ-SNVBAGLBSA-N 1 3 182.311 1.470 20 0 ADADHO CN(C[C@@H]1CC[NH2+]C1)C1CCC1 158588619 344129275 /nfs/dbraw/zinc/12/92/75/344129275.db2.gz QLISBFBTXHOFNA-SECBINFHSA-N 1 3 168.284 1.080 20 0 ADADHO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CCCNC2)C1 158595641 344129735 /nfs/dbraw/zinc/12/97/35/344129735.db2.gz KDQZVHIZUWXLBD-IJLUTSLNSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CCCNC2)C1 158595641 344129739 /nfs/dbraw/zinc/12/97/39/344129739.db2.gz KDQZVHIZUWXLBD-IJLUTSLNSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CCCNC1 158595363 344129831 /nfs/dbraw/zinc/12/98/31/344129831.db2.gz KDQZVHIZUWXLBD-GRYCIOLGSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1CCCNC1 158595363 344129832 /nfs/dbraw/zinc/12/98/32/344129832.db2.gz KDQZVHIZUWXLBD-GRYCIOLGSA-N 1 3 196.338 1.716 20 0 ADADHO CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 158634236 344130114 /nfs/dbraw/zinc/13/01/14/344130114.db2.gz JVCXUXRCEXHSLS-NXEZZACHSA-N 1 3 168.284 1.223 20 0 ADADHO CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 158634236 344130115 /nfs/dbraw/zinc/13/01/15/344130115.db2.gz JVCXUXRCEXHSLS-NXEZZACHSA-N 1 3 168.284 1.223 20 0 ADADHO C[C@H](N)[C@@H]1CC[N@H+](CC2CCCC2)C1 159507753 344147024 /nfs/dbraw/zinc/14/70/24/344147024.db2.gz OAIUXBXRYAILRI-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H](N)[C@@H]1CC[N@@H+](CC2CCCC2)C1 159507753 344147026 /nfs/dbraw/zinc/14/70/26/344147026.db2.gz OAIUXBXRYAILRI-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H](N)[C@@H]1CC[N@H+](CC2CCCC2)C1 159507883 344147069 /nfs/dbraw/zinc/14/70/69/344147069.db2.gz OAIUXBXRYAILRI-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H](N)[C@@H]1CC[N@@H+](CC2CCCC2)C1 159507883 344147070 /nfs/dbraw/zinc/14/70/70/344147070.db2.gz OAIUXBXRYAILRI-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H](N)[C@@H]1CC[N@H+](CC2CCC2)C1 159508895 344147102 /nfs/dbraw/zinc/14/71/02/344147102.db2.gz WDCIKKYLZVWDKJ-GXSJLCMTSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](N)[C@@H]1CC[N@@H+](CC2CCC2)C1 159508895 344147104 /nfs/dbraw/zinc/14/71/04/344147104.db2.gz WDCIKKYLZVWDKJ-GXSJLCMTSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](N)[C@H]1CC[N@H+](CC2CCC2)C1 159509163 344147238 /nfs/dbraw/zinc/14/72/38/344147238.db2.gz WDCIKKYLZVWDKJ-ONGXEEELSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](N)[C@H]1CC[N@@H+](CC2CCC2)C1 159509163 344147240 /nfs/dbraw/zinc/14/72/40/344147240.db2.gz WDCIKKYLZVWDKJ-ONGXEEELSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](N)[C@H]1CC[N@H+](CC2CCCC2)C1 159508028 344147276 /nfs/dbraw/zinc/14/72/76/344147276.db2.gz OAIUXBXRYAILRI-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H](N)[C@H]1CC[N@@H+](CC2CCCC2)C1 159508028 344147278 /nfs/dbraw/zinc/14/72/78/344147278.db2.gz OAIUXBXRYAILRI-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H](N)[C@H]1CC[N@H+](CC2CCC2)C1 159509291 344147311 /nfs/dbraw/zinc/14/73/11/344147311.db2.gz WDCIKKYLZVWDKJ-KOLCDFICSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H](N)[C@H]1CC[N@@H+](CC2CCC2)C1 159509291 344147314 /nfs/dbraw/zinc/14/73/14/344147314.db2.gz WDCIKKYLZVWDKJ-KOLCDFICSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H](N)[C@@H]1CC[N@H+](CC2CCC2)C1 159509028 344147376 /nfs/dbraw/zinc/14/73/76/344147376.db2.gz WDCIKKYLZVWDKJ-MWLCHTKSSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H](N)[C@@H]1CC[N@@H+](CC2CCC2)C1 159509028 344147380 /nfs/dbraw/zinc/14/73/80/344147380.db2.gz WDCIKKYLZVWDKJ-MWLCHTKSSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H](N)[C@H]1CC[N@H+](CC2CCCC2)C1 159508167 344147393 /nfs/dbraw/zinc/14/73/93/344147393.db2.gz OAIUXBXRYAILRI-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H](N)[C@H]1CC[N@@H+](CC2CCCC2)C1 159508167 344147396 /nfs/dbraw/zinc/14/73/96/344147396.db2.gz OAIUXBXRYAILRI-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1CC1 160351843 344163169 /nfs/dbraw/zinc/16/31/69/344163169.db2.gz DTRSKSKZRMRKRQ-WPRPVWTQSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1CC1 160351843 344163167 /nfs/dbraw/zinc/16/31/67/344163167.db2.gz DTRSKSKZRMRKRQ-WPRPVWTQSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1CC1 160351461 344163240 /nfs/dbraw/zinc/16/32/40/344163240.db2.gz DTRSKSKZRMRKRQ-PSASIEDQSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1CC1 160351461 344163243 /nfs/dbraw/zinc/16/32/43/344163243.db2.gz DTRSKSKZRMRKRQ-PSASIEDQSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1CC1 160351704 344163343 /nfs/dbraw/zinc/16/33/43/344163343.db2.gz DTRSKSKZRMRKRQ-SCZZXKLOSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1CC1 160351704 344163346 /nfs/dbraw/zinc/16/33/46/344163346.db2.gz DTRSKSKZRMRKRQ-SCZZXKLOSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1CC1 160351568 344163447 /nfs/dbraw/zinc/16/34/47/344163447.db2.gz DTRSKSKZRMRKRQ-WCBMZHEXSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@H+]1CC1CC1 160351568 344163449 /nfs/dbraw/zinc/16/34/49/344163449.db2.gz DTRSKSKZRMRKRQ-WCBMZHEXSA-N 1 3 168.284 1.066 20 0 ADADHO CC(C)[C@@H](C)[NH2+][C@H]1CCCNCC1 160661007 344173080 /nfs/dbraw/zinc/17/30/80/344173080.db2.gz ILZXHRJWQYLSMA-MNOVXSKESA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCCNCC1)C1CC1 160663445 344173103 /nfs/dbraw/zinc/17/31/03/344173103.db2.gz NUBGIXNPTNUZNA-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]([NH2+][C@H]1CCCNCC1)C1CC1 160663709 344173210 /nfs/dbraw/zinc/17/32/10/344173210.db2.gz NUBGIXNPTNUZNA-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO C1CCC([NH2+][C@@H]2CCCNCC2)C1 160655392 344173218 /nfs/dbraw/zinc/17/32/18/344173218.db2.gz DFEYDMHRSODKJP-LLVKDONJSA-N 1 3 182.311 1.661 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCCNCC1)C1CC1 160663584 344173247 /nfs/dbraw/zinc/17/32/47/344173247.db2.gz NUBGIXNPTNUZNA-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO CC(C)[C@H](C)[NH2+][C@H]1CCCNCC1 160661124 344173356 /nfs/dbraw/zinc/17/33/56/344173356.db2.gz ILZXHRJWQYLSMA-QWRGUYRKSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)[C@@H](C)[NH2+][C@@H]1CCCNCC1 160660792 344173378 /nfs/dbraw/zinc/17/33/78/344173378.db2.gz ILZXHRJWQYLSMA-GHMZBOCLSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCNCC1 160680043 344173641 /nfs/dbraw/zinc/17/36/41/344173641.db2.gz ZRCVZJVZNVHKMF-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1NCCC[C@H]1[NH+]1CCCC1 160677907 344173652 /nfs/dbraw/zinc/17/36/52/344173652.db2.gz HREATRBWRCPQPG-NXEZZACHSA-N 1 3 168.284 1.223 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCNCC1 160679790 344173763 /nfs/dbraw/zinc/17/37/63/344173763.db2.gz ZRCVZJVZNVHKMF-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)(C)C[NH2+][C@@H]1CCCNCC1 160670279 344173835 /nfs/dbraw/zinc/17/38/35/344173835.db2.gz MBMFAKGPIRHBOJ-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC1(C)C[C@@H]1N[C@@H]1CCC[NH2+]CC1 160675321 344173846 /nfs/dbraw/zinc/17/38/46/344173846.db2.gz CCLHDWZKSGRQNG-ZJUUUORDSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCNCC1 160675321 344173847 /nfs/dbraw/zinc/17/38/47/344173847.db2.gz CCLHDWZKSGRQNG-ZJUUUORDSA-N 1 3 182.311 1.517 20 0 ADADHO CC(C)(C)C[NH2+][C@H]1CCCNCC1 160670425 344173855 /nfs/dbraw/zinc/17/38/55/344173855.db2.gz MBMFAKGPIRHBOJ-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO C[C@@H]1NCCC[C@H]1[NH+]1CCCC1 160678039 344173941 /nfs/dbraw/zinc/17/39/41/344173941.db2.gz HREATRBWRCPQPG-VHSXEESVSA-N 1 3 168.284 1.223 20 0 ADADHO C[C@H]1NCCC[C@@H]1[NH+]1CCCC1 160678171 344173977 /nfs/dbraw/zinc/17/39/77/344173977.db2.gz HREATRBWRCPQPG-ZJUUUORDSA-N 1 3 168.284 1.223 20 0 ADADHO CC1(C)C[C@H]1N[C@@H]1CCC[NH2+]CC1 160675439 344173987 /nfs/dbraw/zinc/17/39/87/344173987.db2.gz CCLHDWZKSGRQNG-NXEZZACHSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)C[C@H]1[NH2+][C@@H]1CCCNCC1 160675439 344173989 /nfs/dbraw/zinc/17/39/89/344173989.db2.gz CCLHDWZKSGRQNG-NXEZZACHSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1NCCC[C@@H]1[NH+]1CCCC1 160678305 344173999 /nfs/dbraw/zinc/17/39/99/344173999.db2.gz HREATRBWRCPQPG-UWVGGRQHSA-N 1 3 168.284 1.223 20 0 ADADHO CC1(C)C[C@@H]1N[C@H]1CCC[NH2+]CC1 160675559 344174177 /nfs/dbraw/zinc/17/41/77/344174177.db2.gz CCLHDWZKSGRQNG-UWVGGRQHSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)C[C@@H]1[NH2+][C@H]1CCCNCC1 160675559 344174178 /nfs/dbraw/zinc/17/41/78/344174178.db2.gz CCLHDWZKSGRQNG-UWVGGRQHSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](C[NH2+][C@@H]1CCNC1)C(C)(C)C 162598331 344210846 /nfs/dbraw/zinc/21/08/46/344210846.db2.gz IPPFAWLIHKEAFN-VHSXEESVSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@H](C[NH2+][C@@H]1CCNC1)C(C)(C)C 162598426 344210736 /nfs/dbraw/zinc/21/07/36/344210736.db2.gz IPPFAWLIHKEAFN-NXEZZACHSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCNC1)C(C)(C)C 162670037 344211724 /nfs/dbraw/zinc/21/17/24/344211724.db2.gz LIRWSJILOOLLFQ-DTWKUNHWSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@H]([NH2+][C@H]1CCNC1)C(C)(C)C 162670237 344211824 /nfs/dbraw/zinc/21/18/24/344211824.db2.gz LIRWSJILOOLLFQ-IUCAKERBSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@H]([NH2+]C1CCNCC1)C(C)(C)C 162709534 344212293 /nfs/dbraw/zinc/21/22/93/344212293.db2.gz ZJUFDZDMBWKPNI-VIFPVBQESA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H](CN1CC[C@H]([NH3+])C1)C(C)(C)C 162965816 344216971 /nfs/dbraw/zinc/21/69/71/344216971.db2.gz IHSIIJNAANNXOI-UWVGGRQHSA-N 1 3 184.327 1.702 20 0 ADADHO C[C@H](CN1CC[C@H]([NH3+])C1)C(C)(C)C 162965933 344217200 /nfs/dbraw/zinc/21/72/00/344217200.db2.gz IHSIIJNAANNXOI-ZJUUUORDSA-N 1 3 184.327 1.702 20 0 ADADHO C[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1CN 163461997 344223561 /nfs/dbraw/zinc/22/35/61/344223561.db2.gz ARGFZDALFCWLTN-KOLCDFICSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1CN 163461997 344223562 /nfs/dbraw/zinc/22/35/62/344223562.db2.gz ARGFZDALFCWLTN-KOLCDFICSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@H]1CC[N@H+](CC2CC2)C[C@@H]1CN 163462088 344223853 /nfs/dbraw/zinc/22/38/53/344223853.db2.gz ARGFZDALFCWLTN-ONGXEEELSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1CN 163462088 344223856 /nfs/dbraw/zinc/22/38/56/344223856.db2.gz ARGFZDALFCWLTN-ONGXEEELSA-N 1 3 182.311 1.313 20 0 ADADHO CC(C)C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 164645414 344248518 /nfs/dbraw/zinc/24/85/18/344248518.db2.gz DBOPDWHZXWABLL-MNOVXSKESA-N 1 3 184.327 1.559 20 0 ADADHO CC(C)C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 164645414 344248520 /nfs/dbraw/zinc/24/85/20/344248520.db2.gz DBOPDWHZXWABLL-MNOVXSKESA-N 1 3 184.327 1.559 20 0 ADADHO CCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 164644565 344248636 /nfs/dbraw/zinc/24/86/36/344248636.db2.gz OQLSSGVWMITQLX-NXEZZACHSA-N 1 3 170.300 1.313 20 0 ADADHO CCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 164644565 344248637 /nfs/dbraw/zinc/24/86/37/344248637.db2.gz OQLSSGVWMITQLX-NXEZZACHSA-N 1 3 170.300 1.313 20 0 ADADHO CCCN1CC[C@@H](C)[C@H](C[NH3+])C1 164644565 344248638 /nfs/dbraw/zinc/24/86/38/344248638.db2.gz OQLSSGVWMITQLX-NXEZZACHSA-N 1 3 170.300 1.313 20 0 ADADHO C1CCC([NH2+]CC2CNC2)CC1 165038236 344257119 /nfs/dbraw/zinc/25/71/19/344257119.db2.gz QVZIWDBBJHUGNO-UHFFFAOYSA-N 1 3 168.284 1.128 20 0 ADADHO CC(C)[C@H]1CCN(C[C@H](C)[NH3+])C1 166051035 344273736 /nfs/dbraw/zinc/27/37/36/344273736.db2.gz PXARKVGDRKDAQU-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO CC[C@H]1CCN(C[C@H](C)[NH3+])C1 166069030 344274143 /nfs/dbraw/zinc/27/41/43/344274143.db2.gz OSRYYMOOXMXUEM-IUCAKERBSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1CC[C@@H](C)[N@@H+]1CCCN 166114311 344274743 /nfs/dbraw/zinc/27/47/43/344274743.db2.gz CHLZSCJZPOUWAT-DTORHVGOSA-N 1 3 156.273 1.208 20 0 ADADHO C[C@H]1CC[C@@H](C)[N@H+]1CCCN 166114311 344274744 /nfs/dbraw/zinc/27/47/44/344274744.db2.gz CHLZSCJZPOUWAT-DTORHVGOSA-N 1 3 156.273 1.208 20 0 ADADHO C[C@H]1CC[C@H](C)[NH+]1CCCN 166114440 344274843 /nfs/dbraw/zinc/27/48/43/344274843.db2.gz CHLZSCJZPOUWAT-IUCAKERBSA-N 1 3 156.273 1.208 20 0 ADADHO C[C@@H]1CC[C@@H](C)[NH+]1CCCN 166114196 344275004 /nfs/dbraw/zinc/27/50/04/344275004.db2.gz CHLZSCJZPOUWAT-RKDXNWHRSA-N 1 3 156.273 1.208 20 0 ADADHO C[C@H]1C[C@H]1C[N@@H+]1CC[C@H](N)[C@H](C)C1 167064515 344296482 /nfs/dbraw/zinc/29/64/82/344296482.db2.gz KNMFGXWOPAGIKT-VLEAKVRGSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@H]1C[C@H]1C[N@H+]1CC[C@H](N)[C@H](C)C1 167064515 344296484 /nfs/dbraw/zinc/29/64/84/344296484.db2.gz KNMFGXWOPAGIKT-VLEAKVRGSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@H]1C[C@H]1CN1CC[C@H]([NH3+])[C@H](C)C1 167064515 344296487 /nfs/dbraw/zinc/29/64/87/344296487.db2.gz KNMFGXWOPAGIKT-VLEAKVRGSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@H+]1C[C@H]1C[C@H]1C 167069282 344296811 /nfs/dbraw/zinc/29/68/11/344296811.db2.gz ZXSPFOGGCFZCRA-YTWAJWBKSA-N 1 3 182.311 1.454 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@@H+]1C[C@H]1C[C@H]1C 167069282 344296813 /nfs/dbraw/zinc/29/68/13/344296813.db2.gz ZXSPFOGGCFZCRA-YTWAJWBKSA-N 1 3 182.311 1.454 20 0 ADADHO C[C@H]1C[C@@H]([NH3+])CCN1C[C@H]1C[C@H]1C 167069282 344296815 /nfs/dbraw/zinc/29/68/15/344296815.db2.gz ZXSPFOGGCFZCRA-YTWAJWBKSA-N 1 3 182.311 1.454 20 0 ADADHO C[C@H]1C[C@@H]1CN1CCC([NH3+])CC1 167068582 344296828 /nfs/dbraw/zinc/29/68/28/344296828.db2.gz HNTIAVHRHWNVTA-DTWKUNHWSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1C[C@@H]1CN1CCC([NH3+])CC1 167068496 344296945 /nfs/dbraw/zinc/29/69/45/344296945.db2.gz HNTIAVHRHWNVTA-RKDXNWHRSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH+]1CCC(N)CC1 167068496 344296946 /nfs/dbraw/zinc/29/69/46/344296946.db2.gz HNTIAVHRHWNVTA-RKDXNWHRSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@H]1C[C@H]1CN1CCC([NH3+])CC1 167068724 344297015 /nfs/dbraw/zinc/29/70/15/344297015.db2.gz HNTIAVHRHWNVTA-IUCAKERBSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@H]1C[C@H]1C[NH+]1CCC(N)CC1 167068724 344297017 /nfs/dbraw/zinc/29/70/17/344297017.db2.gz HNTIAVHRHWNVTA-IUCAKERBSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1C[C@H]1CN1CCC([NH3+])CC1 167068654 344297058 /nfs/dbraw/zinc/29/70/58/344297058.db2.gz HNTIAVHRHWNVTA-BDAKNGLRSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1C[C@H]1C[NH+]1CCC(N)CC1 167068654 344297060 /nfs/dbraw/zinc/29/70/60/344297060.db2.gz HNTIAVHRHWNVTA-BDAKNGLRSA-N 1 3 168.284 1.066 20 0 ADADHO CC(C)[N@@H+]1CC[C@H](C)[C@@H](CN)C1 167593241 344308899 /nfs/dbraw/zinc/30/88/99/344308899.db2.gz HKZKKKYKHLXWEM-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)[N@H+]1CC[C@H](C)[C@@H](CN)C1 167593241 344308901 /nfs/dbraw/zinc/30/89/01/344308901.db2.gz HKZKKKYKHLXWEM-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)N1CC[C@H](C)[C@@H](C[NH3+])C1 167593241 344308903 /nfs/dbraw/zinc/30/89/03/344308903.db2.gz HKZKKKYKHLXWEM-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 167593125 344308933 /nfs/dbraw/zinc/30/89/33/344308933.db2.gz HKZKKKYKHLXWEM-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)[N@H+]1CC[C@@H](C)[C@@H](CN)C1 167593125 344308934 /nfs/dbraw/zinc/30/89/34/344308934.db2.gz HKZKKKYKHLXWEM-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)N1CC[C@@H](C)[C@@H](C[NH3+])C1 167593125 344308935 /nfs/dbraw/zinc/30/89/35/344308935.db2.gz HKZKKKYKHLXWEM-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO C[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1CN 167610087 344309155 /nfs/dbraw/zinc/30/91/55/344309155.db2.gz AWNSMWCJMSQRFA-JQWIXIFHSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1CN 167610087 344309157 /nfs/dbraw/zinc/30/91/57/344309157.db2.gz AWNSMWCJMSQRFA-JQWIXIFHSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1CN 167609980 344309175 /nfs/dbraw/zinc/30/91/75/344309175.db2.gz AWNSMWCJMSQRFA-PWSUYJOCSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1CN 167609980 344309177 /nfs/dbraw/zinc/30/91/77/344309177.db2.gz AWNSMWCJMSQRFA-PWSUYJOCSA-N 1 3 196.338 1.703 20 0 ADADHO N[C@@H]1C[C@H]([NH2+]C2CC2)c2ccccc21 169227829 344349032 /nfs/dbraw/zinc/34/90/32/344349032.db2.gz DCMJMQBMVJOPLJ-NEPJUHHUSA-N 1 3 188.274 1.883 20 0 ADADHO N[C@H]1C[C@@H]([NH2+]C2CC2)c2ccccc21 169228046 344349079 /nfs/dbraw/zinc/34/90/79/344349079.db2.gz DCMJMQBMVJOPLJ-NWDGAFQWSA-N 1 3 188.274 1.883 20 0 ADADHO N[C@@H]1C[C@@H]([NH2+]C2CC2)c2ccccc21 169227969 344349085 /nfs/dbraw/zinc/34/90/85/344349085.db2.gz DCMJMQBMVJOPLJ-VXGBXAGGSA-N 1 3 188.274 1.883 20 0 ADADHO CC[C@H](C)[N@@H+]1CCC[C@@H](CN)C1 217525312 344402323 /nfs/dbraw/zinc/40/23/23/344402323.db2.gz OAIRRWZBVQCCNI-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@H](C)[N@H+]1CCC[C@@H](CN)C1 217525312 344402325 /nfs/dbraw/zinc/40/23/25/344402325.db2.gz OAIRRWZBVQCCNI-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@@H](C)[N@@H+]1CCC[C@@H](CN)C1 217525226 344402511 /nfs/dbraw/zinc/40/25/11/344402511.db2.gz OAIRRWZBVQCCNI-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@@H](C)[N@H+]1CCC[C@@H](CN)C1 217525226 344402512 /nfs/dbraw/zinc/40/25/12/344402512.db2.gz OAIRRWZBVQCCNI-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)CN1CCC(C)([NH3+])CC1 218808946 344416852 /nfs/dbraw/zinc/41/68/52/344416852.db2.gz QFXVHTUKWYXFPO-UHFFFAOYSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@H](C)N1CCC(C)([NH3+])CC1 218809123 344416866 /nfs/dbraw/zinc/41/68/66/344416866.db2.gz OHNQVEMNVNLNCI-VIFPVBQESA-N 1 3 170.300 1.598 20 0 ADADHO C[N@H+](C[C@@H]1CCCNC1)C(C)(C)C 219134503 344420058 /nfs/dbraw/zinc/42/00/58/344420058.db2.gz IXJSBAFHVGMEBI-SNVBAGLBSA-N 1 3 184.327 1.716 20 0 ADADHO C[N@@H+](C[C@@H]1CCCNC1)C(C)(C)C 219134503 344420060 /nfs/dbraw/zinc/42/00/60/344420060.db2.gz IXJSBAFHVGMEBI-SNVBAGLBSA-N 1 3 184.327 1.716 20 0 ADADHO C[N@H+](C[C@H]1CCCNC1)C(C)(C)C 219134576 344420118 /nfs/dbraw/zinc/42/01/18/344420118.db2.gz IXJSBAFHVGMEBI-JTQLQIEISA-N 1 3 184.327 1.716 20 0 ADADHO C[N@@H+](C[C@H]1CCCNC1)C(C)(C)C 219134576 344420119 /nfs/dbraw/zinc/42/01/19/344420119.db2.gz IXJSBAFHVGMEBI-JTQLQIEISA-N 1 3 184.327 1.716 20 0 ADADHO CCCCN1CCC[C@@]2(CC[NH2+]C2)C1 219572047 344425572 /nfs/dbraw/zinc/42/55/72/344425572.db2.gz GFYIKWRCQRXRET-LBPRGKRZSA-N 1 3 196.338 1.862 20 0 ADADHO C[C@@H]1C[N@@H+](C[C@H]2CCCNC2)C[C@@H]1C 219682742 344426857 /nfs/dbraw/zinc/42/68/57/344426857.db2.gz LZSXEXRRSUYFCV-TUAOUCFPSA-N 1 3 196.338 1.574 20 0 ADADHO C[C@@H]1CCC[N@H+]1C[C@@]1(C)CCCNC1 219757314 344427558 /nfs/dbraw/zinc/42/75/58/344427558.db2.gz LUAIRHUGZCHBGQ-NEPJUHHUSA-N 1 3 196.338 1.860 20 0 ADADHO C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CCCNC1 219757314 344427556 /nfs/dbraw/zinc/42/75/56/344427556.db2.gz LUAIRHUGZCHBGQ-NEPJUHHUSA-N 1 3 196.338 1.860 20 0 ADADHO C[C@H]1CCC[N@@H+]1C[C@@]1(C)CCCNC1 219757389 344427650 /nfs/dbraw/zinc/42/76/50/344427650.db2.gz LUAIRHUGZCHBGQ-RYUDHWBXSA-N 1 3 196.338 1.860 20 0 ADADHO C[C@H]1CCC[N@H+]1C[C@@]1(C)CCCNC1 219757389 344427651 /nfs/dbraw/zinc/42/76/51/344427651.db2.gz LUAIRHUGZCHBGQ-RYUDHWBXSA-N 1 3 196.338 1.860 20 0 ADADHO C[C@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 219758394 344427883 /nfs/dbraw/zinc/42/78/83/344427883.db2.gz UBWSXMQDVLOPJL-RYUDHWBXSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 219758394 344427886 /nfs/dbraw/zinc/42/78/86/344427886.db2.gz UBWSXMQDVLOPJL-RYUDHWBXSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 219758313 344427898 /nfs/dbraw/zinc/42/78/98/344427898.db2.gz UBWSXMQDVLOPJL-NEPJUHHUSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 219758313 344427901 /nfs/dbraw/zinc/42/79/01/344427901.db2.gz UBWSXMQDVLOPJL-NEPJUHHUSA-N 1 3 196.338 1.718 20 0 ADADHO CC1(C[NH2+]C2CCNCC2)CC1 220769591 344435385 /nfs/dbraw/zinc/43/53/85/344435385.db2.gz HXDYWEBWMZKDER-UHFFFAOYSA-N 1 3 168.284 1.128 20 0 ADADHO CC[C@@H](C)N1CC[C@]2(CC[NH2+]C2)C1 221105232 344438092 /nfs/dbraw/zinc/43/80/92/344438092.db2.gz QQQWLQREPIQDPL-MNOVXSKESA-N 1 3 182.311 1.470 20 0 ADADHO CC(C)CC[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 221412012 344442898 /nfs/dbraw/zinc/44/28/98/344442898.db2.gz ZOZAPASLZHREAI-NWDGAFQWSA-N 1 3 196.338 1.716 20 0 ADADHO CC(C)CC[N@H+]1C[C@@H]2CCCN[C@@H]2C1 221412012 344442900 /nfs/dbraw/zinc/44/29/00/344442900.db2.gz ZOZAPASLZHREAI-NWDGAFQWSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H](CN1CC[C@@H]([NH3+])C1)C(C)(C)C 221514735 344443779 /nfs/dbraw/zinc/44/37/79/344443779.db2.gz IHSIIJNAANNXOI-NXEZZACHSA-N 1 3 184.327 1.702 20 0 ADADHO C[C@@H](CN1CC[C@@H]([NH3+])C1)C(C)(C)C 221514686 344444008 /nfs/dbraw/zinc/44/40/08/344444008.db2.gz IHSIIJNAANNXOI-VHSXEESVSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)N1CC[C@@H](C[NH+]2CCCC2)C1 223303682 344459203 /nfs/dbraw/zinc/45/92/03/344459203.db2.gz LZYBSKDOLMMRJK-LBPRGKRZSA-N 1 3 196.338 1.813 20 0 ADADHO CC(C)[N@@H+]1CC[C@@H](CN2CCCC2)C1 223303682 344459205 /nfs/dbraw/zinc/45/92/05/344459205.db2.gz LZYBSKDOLMMRJK-LBPRGKRZSA-N 1 3 196.338 1.813 20 0 ADADHO CC(C)[N@H+]1CC[C@@H](CN2CCCC2)C1 223303682 344459207 /nfs/dbraw/zinc/45/92/07/344459207.db2.gz LZYBSKDOLMMRJK-LBPRGKRZSA-N 1 3 196.338 1.813 20 0 ADADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]1C 223931674 344464474 /nfs/dbraw/zinc/46/44/74/344464474.db2.gz PZDQKOQHECDXSG-VWYCJHECSA-N 1 3 182.311 1.326 20 0 ADADHO CC1CCC([NH2+]CC2CNC2)CC1 224109062 344466529 /nfs/dbraw/zinc/46/65/29/344466529.db2.gz TZKRYXROJYPYHP-UHFFFAOYSA-N 1 3 182.311 1.374 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@@H](N)C[C@@H]1C 227207861 344525695 /nfs/dbraw/zinc/52/56/95/344525695.db2.gz OLLNGCIEGWCOFC-GARJFASQSA-N 1 3 184.327 1.844 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@@H](N)C[C@@H]1C 227207861 344525699 /nfs/dbraw/zinc/52/56/99/344525699.db2.gz OLLNGCIEGWCOFC-GARJFASQSA-N 1 3 184.327 1.844 20 0 ADADHO CC[C@H](C)CN1CC[C@@H]([NH3+])C[C@@H]1C 227207861 344525701 /nfs/dbraw/zinc/52/57/01/344525701.db2.gz OLLNGCIEGWCOFC-GARJFASQSA-N 1 3 184.327 1.844 20 0 ADADHO C[C@H](N)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 228005532 344554424 /nfs/dbraw/zinc/55/44/24/344554424.db2.gz INFOFSRVSWOXFA-GARJFASQSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H](N)C[N@H+]1CCC[C@@H]2CCC[C@H]21 228005532 344554427 /nfs/dbraw/zinc/55/44/27/344554427.db2.gz INFOFSRVSWOXFA-GARJFASQSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H](N)C[N@@H+]1CCC[C@H]2CCC[C@H]21 228085112 344557114 /nfs/dbraw/zinc/55/71/14/344557114.db2.gz INFOFSRVSWOXFA-HBNTYKKESA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H](N)C[N@H+]1CCC[C@H]2CCC[C@H]21 228085112 344557115 /nfs/dbraw/zinc/55/71/15/344557115.db2.gz INFOFSRVSWOXFA-HBNTYKKESA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@H+]1C[C@H]1C[C@H]1C 228723889 344566926 /nfs/dbraw/zinc/56/69/26/344566926.db2.gz ZXSPFOGGCFZCRA-LMLFDSFASA-N 1 3 182.311 1.454 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@@H+]1C[C@H]1C[C@H]1C 228723889 344566928 /nfs/dbraw/zinc/56/69/28/344566928.db2.gz ZXSPFOGGCFZCRA-LMLFDSFASA-N 1 3 182.311 1.454 20 0 ADADHO C[C@H]1C[C@H]([NH3+])CCN1C[C@H]1C[C@H]1C 228723889 344566931 /nfs/dbraw/zinc/56/69/31/344566931.db2.gz ZXSPFOGGCFZCRA-LMLFDSFASA-N 1 3 182.311 1.454 20 0 ADADHO CCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 228986515 344578365 /nfs/dbraw/zinc/57/83/65/344578365.db2.gz OQLSSGVWMITQLX-ZJUUUORDSA-N 1 3 170.300 1.313 20 0 ADADHO CCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 228986515 344578366 /nfs/dbraw/zinc/57/83/66/344578366.db2.gz OQLSSGVWMITQLX-ZJUUUORDSA-N 1 3 170.300 1.313 20 0 ADADHO CCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 228986515 344578367 /nfs/dbraw/zinc/57/83/67/344578367.db2.gz OQLSSGVWMITQLX-ZJUUUORDSA-N 1 3 170.300 1.313 20 0 ADADHO CCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 228986530 344578406 /nfs/dbraw/zinc/57/84/06/344578406.db2.gz OQLSSGVWMITQLX-UWVGGRQHSA-N 1 3 170.300 1.313 20 0 ADADHO CCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 228986530 344578407 /nfs/dbraw/zinc/57/84/07/344578407.db2.gz OQLSSGVWMITQLX-UWVGGRQHSA-N 1 3 170.300 1.313 20 0 ADADHO CCCN1CC[C@H](C)[C@@H](C[NH3+])C1 228986530 344578408 /nfs/dbraw/zinc/57/84/08/344578408.db2.gz OQLSSGVWMITQLX-UWVGGRQHSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CC[C@@H](C)C1 228977092 344578411 /nfs/dbraw/zinc/57/84/11/344578411.db2.gz PJNCGSYDYKIXCD-UTLUCORTSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@@H](C)C1 228977080 344578596 /nfs/dbraw/zinc/57/85/96/344578596.db2.gz PJNCGSYDYKIXCD-KXUCPTDWSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@@H+]1CCC1CCC1 229113266 344582376 /nfs/dbraw/zinc/58/23/76/344582376.db2.gz OYZCPYARQPGBFY-CMPLNLGQSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@H+]1CCC1CCC1 229113266 344582379 /nfs/dbraw/zinc/58/23/79/344582379.db2.gz OYZCPYARQPGBFY-CMPLNLGQSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H]1C[C@H]([NH3+])CCN1CCC1CCC1 229113266 344582382 /nfs/dbraw/zinc/58/23/82/344582382.db2.gz OYZCPYARQPGBFY-CMPLNLGQSA-N 1 3 196.338 1.988 20 0 ADADHO [NH3+]C1CCN(CCC2CCC2)CC1 229113197 344582495 /nfs/dbraw/zinc/58/24/95/344582495.db2.gz IPGDQOXMOHBXMN-UHFFFAOYSA-N 1 3 182.311 1.600 20 0 ADADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CCC1CCC1 229113259 344582535 /nfs/dbraw/zinc/58/25/35/344582535.db2.gz OYZCPYARQPGBFY-ZYHUDNBSSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@H](N)CC[N@H+]1CCC1CCC1 229113259 344582537 /nfs/dbraw/zinc/58/25/37/344582537.db2.gz OYZCPYARQPGBFY-ZYHUDNBSSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC1CCC1 229113259 344582538 /nfs/dbraw/zinc/58/25/38/344582538.db2.gz OYZCPYARQPGBFY-ZYHUDNBSSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CCC1CCC1 229113251 344582575 /nfs/dbraw/zinc/58/25/75/344582575.db2.gz OYZCPYARQPGBFY-JQWIXIFHSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@H+]1CCC1CCC1 229113251 344582576 /nfs/dbraw/zinc/58/25/76/344582576.db2.gz OYZCPYARQPGBFY-JQWIXIFHSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC1CCC1 229113251 344582577 /nfs/dbraw/zinc/58/25/77/344582577.db2.gz OYZCPYARQPGBFY-JQWIXIFHSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CCC1CCC1 229113238 344582663 /nfs/dbraw/zinc/58/26/63/344582663.db2.gz OYZCPYARQPGBFY-PWSUYJOCSA-N 1 3 196.338 1.988 20 0 ADADHO CC[N@H+](C)[C@H]1CCN[C@@H](C)C1 229541042 344601579 /nfs/dbraw/zinc/60/15/79/344601579.db2.gz LJBLYDXAGWWIKX-IUCAKERBSA-N 1 3 156.273 1.079 20 0 ADADHO CC[N@@H+](C)[C@H]1CCN[C@@H](C)C1 229541042 344601580 /nfs/dbraw/zinc/60/15/80/344601580.db2.gz LJBLYDXAGWWIKX-IUCAKERBSA-N 1 3 156.273 1.079 20 0 ADADHO CCN(C)[C@H]1CC[NH2+][C@@H](C)C1 229541042 344601581 /nfs/dbraw/zinc/60/15/81/344601581.db2.gz LJBLYDXAGWWIKX-IUCAKERBSA-N 1 3 156.273 1.079 20 0 ADADHO CC(C)[N@H+](C)[C@@H]1CCN[C@@H](C)C1 229540553 344601592 /nfs/dbraw/zinc/60/15/92/344601592.db2.gz LLBYBZFIZSHRDB-VHSXEESVSA-N 1 3 170.300 1.467 20 0 ADADHO CC(C)[N@@H+](C)[C@@H]1CCN[C@@H](C)C1 229540553 344601593 /nfs/dbraw/zinc/60/15/93/344601593.db2.gz LLBYBZFIZSHRDB-VHSXEESVSA-N 1 3 170.300 1.467 20 0 ADADHO CC(C)N(C)[C@@H]1CC[NH2+][C@@H](C)C1 229540553 344601595 /nfs/dbraw/zinc/60/15/95/344601595.db2.gz LLBYBZFIZSHRDB-VHSXEESVSA-N 1 3 170.300 1.467 20 0 ADADHO CC(C)[N@H+](C)[C@H]1CCN[C@@H](C)C1 229540564 344601624 /nfs/dbraw/zinc/60/16/24/344601624.db2.gz LLBYBZFIZSHRDB-UWVGGRQHSA-N 1 3 170.300 1.467 20 0 ADADHO CC(C)[N@@H+](C)[C@H]1CCN[C@@H](C)C1 229540564 344601626 /nfs/dbraw/zinc/60/16/26/344601626.db2.gz LLBYBZFIZSHRDB-UWVGGRQHSA-N 1 3 170.300 1.467 20 0 ADADHO CC(C)N(C)[C@H]1CC[NH2+][C@@H](C)C1 229540564 344601630 /nfs/dbraw/zinc/60/16/30/344601630.db2.gz LLBYBZFIZSHRDB-UWVGGRQHSA-N 1 3 170.300 1.467 20 0 ADADHO CC[N@H+](C)[C@@H]1CCN[C@@H](C)C1 229541032 344601707 /nfs/dbraw/zinc/60/17/07/344601707.db2.gz LJBLYDXAGWWIKX-DTWKUNHWSA-N 1 3 156.273 1.079 20 0 ADADHO CC[N@@H+](C)[C@@H]1CCN[C@@H](C)C1 229541032 344601709 /nfs/dbraw/zinc/60/17/09/344601709.db2.gz LJBLYDXAGWWIKX-DTWKUNHWSA-N 1 3 156.273 1.079 20 0 ADADHO CCN(C)[C@@H]1CC[NH2+][C@@H](C)C1 229541032 344601712 /nfs/dbraw/zinc/60/17/12/344601712.db2.gz LJBLYDXAGWWIKX-DTWKUNHWSA-N 1 3 156.273 1.079 20 0 ADADHO C[C@H]1CCC[C@@H](CN2CC[C@@H]([NH3+])C2)C1 229633689 344608102 /nfs/dbraw/zinc/60/81/02/344608102.db2.gz GYLHSAHYVQCKII-QJPTWQEYSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CCC[C@@H](CN2CC[C@@H]([NH3+])C2)C1 229633682 344608138 /nfs/dbraw/zinc/60/81/38/344608138.db2.gz GYLHSAHYVQCKII-IJLUTSLNSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CCC[C@H](CN2CC[C@@H]([NH3+])C2)C1 229633710 344608404 /nfs/dbraw/zinc/60/84/04/344608404.db2.gz GYLHSAHYVQCKII-SDDRHHMPSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@]1([NH2+]CC2CCCCC2)CCNC1 230743447 344642072 /nfs/dbraw/zinc/64/20/72/344642072.db2.gz DYASYWXWPSXPHS-LBPRGKRZSA-N 1 3 196.338 1.908 20 0 ADADHO C[C@@]1([NH2+]CC2CCCCC2)CCNC1 230743445 344642183 /nfs/dbraw/zinc/64/21/83/344642183.db2.gz DYASYWXWPSXPHS-GFCCVEGCSA-N 1 3 196.338 1.908 20 0 ADADHO CC(C)CCN1C[C@H](C)[C@@H]([NH3+])C1 232567261 344683241 /nfs/dbraw/zinc/68/32/41/344683241.db2.gz BMXGQBNZKQIZNE-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)NC[C@H]1[NH2+]CCCC1(C)C 232651186 344687119 /nfs/dbraw/zinc/68/71/19/344687119.db2.gz XWTCZHAULKBHCQ-SNVBAGLBSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)NC[C@@H]1[NH2+]CCCC1(C)C 232670122 344687594 /nfs/dbraw/zinc/68/75/94/344687594.db2.gz XWTCZHAULKBHCQ-JTQLQIEISA-N 1 3 184.327 1.763 20 0 ADADHO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCN1 232771125 344689410 /nfs/dbraw/zinc/68/94/10/344689410.db2.gz IYZUGZFFLDALCZ-WDEREUQCSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCCN1 232771713 344689641 /nfs/dbraw/zinc/68/96/41/344689641.db2.gz IYZUGZFFLDALCZ-GHMZBOCLSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCN1 232770331 344689713 /nfs/dbraw/zinc/68/97/13/344689713.db2.gz IYZUGZFFLDALCZ-QWRGUYRKSA-N 1 3 196.338 1.907 20 0 ADADHO CC1CCC([NH2+]C[C@H]2CCCN2)CC1 232802621 344691911 /nfs/dbraw/zinc/69/19/11/344691911.db2.gz IQQWQVXAQDROTJ-HTAVTVPLSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C[NH+]2CCC(N)CC2)CC1 232822412 344693142 /nfs/dbraw/zinc/69/31/42/344693142.db2.gz SMTYNGCOKXQBIJ-UHFFFAOYSA-N 1 3 168.284 1.210 20 0 ADADHO CC1CCC([NH2+]C[C@@H]2CCCN2)CC1 232860974 344695421 /nfs/dbraw/zinc/69/54/21/344695421.db2.gz IQQWQVXAQDROTJ-MCIGGMRASA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C[NH2+][C@@H]2CCNC2)CCCCC1 233023564 344698729 /nfs/dbraw/zinc/69/87/29/344698729.db2.gz DLLGBRPNKOAASH-LLVKDONJSA-N 1 3 196.338 1.908 20 0 ADADHO CC1(C[NH2+][C@@H]2CCCNCC2)CC1 233021060 344698868 /nfs/dbraw/zinc/69/88/68/344698868.db2.gz QLBKPFLIFOUSOR-SNVBAGLBSA-N 1 3 182.311 1.518 20 0 ADADHO CC1(CN[C@H]2CCC[NH2+]C2)CCC1 233028329 344699076 /nfs/dbraw/zinc/69/90/76/344699076.db2.gz QTGHPQGKGQIIGK-JTQLQIEISA-N 1 3 182.311 1.518 20 0 ADADHO CC1(C[NH2+][C@H]2CCNC2)CCCCC1 233030190 344699099 /nfs/dbraw/zinc/69/90/99/344699099.db2.gz DLLGBRPNKOAASH-NSHDSACASA-N 1 3 196.338 1.908 20 0 ADADHO CC1(C[NH2+][C@H]2CCCNCC2)CC1 233028427 344699395 /nfs/dbraw/zinc/69/93/95/344699395.db2.gz QLBKPFLIFOUSOR-JTQLQIEISA-N 1 3 182.311 1.518 20 0 ADADHO C[C@@H](C[NH3+])NC1Cc2ccccc2C1 235125703 344733739 /nfs/dbraw/zinc/73/37/39/344733739.db2.gz ZDGPFLHIPMYMKM-VIFPVBQESA-N 1 3 190.290 1.091 20 0 ADADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]1C 235263665 344738939 /nfs/dbraw/zinc/73/89/39/344738939.db2.gz PZDQKOQHECDXSG-MXWKQRLJSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C)C1 235315519 344742666 /nfs/dbraw/zinc/74/26/66/344742666.db2.gz XHLQFFYAZLVRJW-MXWKQRLJSA-N 1 3 182.311 1.184 20 0 ADADHO C[C@@H]1CN(CC2(C)CC2)CC[C@@H]1[NH3+] 235352156 344745700 /nfs/dbraw/zinc/74/57/00/344745700.db2.gz HLFRDFHLJGOHRK-ZJUUUORDSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[N@H+](CC2(C)CC2)CC[C@@H]1N 235352156 344745702 /nfs/dbraw/zinc/74/57/02/344745702.db2.gz HLFRDFHLJGOHRK-ZJUUUORDSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[N@@H+](CC2(C)CC2)CC[C@@H]1N 235352156 344745703 /nfs/dbraw/zinc/74/57/03/344745703.db2.gz HLFRDFHLJGOHRK-ZJUUUORDSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1CN(CCC(C)(C)C)C[C@@H]1[NH3+] 235359215 344746450 /nfs/dbraw/zinc/74/64/50/344746450.db2.gz WFNIMBXNGLQLBR-ZJUUUORDSA-N 1 3 184.327 1.702 20 0 ADADHO C[C@@H]1C[C@@H]([NH2+]C2CCCC2)CCN1 235407520 344748574 /nfs/dbraw/zinc/74/85/74/344748574.db2.gz HEHKSYGUUOXUFQ-KOLCDFICSA-N 1 3 182.311 1.659 20 0 ADADHO C[C@H](C[NH3+])NC1Cc2ccccc2C1 235449219 344750008 /nfs/dbraw/zinc/75/00/08/344750008.db2.gz ZDGPFLHIPMYMKM-SECBINFHSA-N 1 3 190.290 1.091 20 0 ADADHO C[C@@H]1C[C@H]([NH2+]C2CCCC2)CCN1 235451310 344750780 /nfs/dbraw/zinc/75/07/80/344750780.db2.gz HEHKSYGUUOXUFQ-MWLCHTKSSA-N 1 3 182.311 1.659 20 0 ADADHO C[C@H]1CN(CCC(C)(C)C)C[C@@H]1[NH3+] 235581978 344757645 /nfs/dbraw/zinc/75/76/45/344757645.db2.gz WFNIMBXNGLQLBR-UWVGGRQHSA-N 1 3 184.327 1.702 20 0 ADADHO C[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 235650942 344761754 /nfs/dbraw/zinc/76/17/54/344761754.db2.gz XHLQFFYAZLVRJW-AXFHLTTASA-N 1 3 182.311 1.184 20 0 ADADHO C[C@H]1CN(CC2CCCCC2)C[C@@H]1[NH3+] 235669398 344762194 /nfs/dbraw/zinc/76/21/94/344762194.db2.gz VMRDEZNODQHRFU-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CN(CC2(C)CC2)CC[C@@H]1[NH3+] 235663997 344762295 /nfs/dbraw/zinc/76/22/95/344762295.db2.gz HLFRDFHLJGOHRK-UWVGGRQHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[N@@H+](CC2(C)CC2)CC[C@@H]1N 235663997 344762299 /nfs/dbraw/zinc/76/22/99/344762299.db2.gz HLFRDFHLJGOHRK-UWVGGRQHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[C@@H]([NH2+]C2CCCC2)CCN1 235693242 344763271 /nfs/dbraw/zinc/76/32/71/344763271.db2.gz HEHKSYGUUOXUFQ-ONGXEEELSA-N 1 3 182.311 1.659 20 0 ADADHO CC(C)=CCC[N@@H+]1CCC[C@@H](N)C1 238145472 344793980 /nfs/dbraw/zinc/79/39/80/344793980.db2.gz UAUGLDSNJAMLOK-LLVKDONJSA-N 1 3 182.311 1.766 20 0 ADADHO CC(C)=CCC[N@H+]1CCC[C@@H](N)C1 238145472 344793982 /nfs/dbraw/zinc/79/39/82/344793982.db2.gz UAUGLDSNJAMLOK-LLVKDONJSA-N 1 3 182.311 1.766 20 0 ADADHO CC(C)=CCC[N@@H+]1CCC[C@H](N)C1 238145574 344794039 /nfs/dbraw/zinc/79/40/39/344794039.db2.gz UAUGLDSNJAMLOK-NSHDSACASA-N 1 3 182.311 1.766 20 0 ADADHO CC(C)=CCC[N@H+]1CCC[C@H](N)C1 238145574 344794041 /nfs/dbraw/zinc/79/40/41/344794041.db2.gz UAUGLDSNJAMLOK-NSHDSACASA-N 1 3 182.311 1.766 20 0 ADADHO NC1CC[NH+](CC2CC=CC2)CC1 238584777 344814717 /nfs/dbraw/zinc/81/47/17/344814717.db2.gz AOGYYZQXMKHACR-UHFFFAOYSA-N 1 3 180.295 1.376 20 0 ADADHO [NH3+]C1CCN(CC2CC=CC2)CC1 238584777 344814719 /nfs/dbraw/zinc/81/47/19/344814719.db2.gz AOGYYZQXMKHACR-UHFFFAOYSA-N 1 3 180.295 1.376 20 0 ADADHO CC(C)[N@@H+]1CCC[C@H]([C@H](C)N)C1 250496570 344834500 /nfs/dbraw/zinc/83/45/00/344834500.db2.gz JNZNQMQUHWOEOO-UWVGGRQHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)[N@H+]1CCC[C@H]([C@H](C)N)C1 250496570 344834502 /nfs/dbraw/zinc/83/45/02/344834502.db2.gz JNZNQMQUHWOEOO-UWVGGRQHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)N1CCC[C@H]([C@H](C)[NH3+])C1 250496570 344834503 /nfs/dbraw/zinc/83/45/03/344834503.db2.gz JNZNQMQUHWOEOO-UWVGGRQHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)C[N@@H+]1CCC[C@@H]([C@H](C)N)C1 250596652 344836746 /nfs/dbraw/zinc/83/67/46/344836746.db2.gz OCGKQTREPYTBGE-WDEREUQCSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)C[N@H+]1CCC[C@@H]([C@H](C)N)C1 250596652 344836748 /nfs/dbraw/zinc/83/67/48/344836748.db2.gz OCGKQTREPYTBGE-WDEREUQCSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)C[N@@H+]1CCC[C@H]([C@H](C)N)C1 250596650 344837168 /nfs/dbraw/zinc/83/71/68/344837168.db2.gz OCGKQTREPYTBGE-QWRGUYRKSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)C[N@H+]1CCC[C@H]([C@H](C)N)C1 250596650 344837170 /nfs/dbraw/zinc/83/71/70/344837170.db2.gz OCGKQTREPYTBGE-QWRGUYRKSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)[NH2+][C@H]1CCN2CCC[C@H]2C1 250774761 344840986 /nfs/dbraw/zinc/84/09/86/344840986.db2.gz UQJQBBPHFGNKOZ-QWRGUYRKSA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 250774761 344840987 /nfs/dbraw/zinc/84/09/87/344840987.db2.gz UQJQBBPHFGNKOZ-QWRGUYRKSA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 250774761 344840988 /nfs/dbraw/zinc/84/09/88/344840988.db2.gz UQJQBBPHFGNKOZ-QWRGUYRKSA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 250774760 344841001 /nfs/dbraw/zinc/84/10/01/344841001.db2.gz UQJQBBPHFGNKOZ-MNOVXSKESA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 250774760 344841002 /nfs/dbraw/zinc/84/10/02/344841002.db2.gz UQJQBBPHFGNKOZ-MNOVXSKESA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 250774760 344841004 /nfs/dbraw/zinc/84/10/04/344841004.db2.gz UQJQBBPHFGNKOZ-MNOVXSKESA-N 1 3 182.311 1.611 20 0 ADADHO CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 250817720 344841834 /nfs/dbraw/zinc/84/18/34/344841834.db2.gz OBCSIPRHLHQVBH-MNOVXSKESA-N 1 3 182.311 1.613 20 0 ADADHO CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 250817720 344841835 /nfs/dbraw/zinc/84/18/35/344841835.db2.gz OBCSIPRHLHQVBH-MNOVXSKESA-N 1 3 182.311 1.613 20 0 ADADHO CCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 250817720 344841837 /nfs/dbraw/zinc/84/18/37/344841837.db2.gz OBCSIPRHLHQVBH-MNOVXSKESA-N 1 3 182.311 1.613 20 0 ADADHO CC[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 251613278 344861369 /nfs/dbraw/zinc/86/13/69/344861369.db2.gz DQMDUFARHNIDPY-RYUDHWBXSA-N 1 3 196.338 1.718 20 0 ADADHO CC[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 251613277 344861393 /nfs/dbraw/zinc/86/13/93/344861393.db2.gz DQMDUFARHNIDPY-NEPJUHHUSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1 251620334 344861497 /nfs/dbraw/zinc/86/14/97/344861497.db2.gz CMQZCSMEZYFUCE-OUAUKWLOSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC1 251620343 344861565 /nfs/dbraw/zinc/86/15/65/344861565.db2.gz CMQZCSMEZYFUCE-VWYCJHECSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]1CN(CC(C)C)CC[C@H]1[NH3+] 251642627 344862872 /nfs/dbraw/zinc/86/28/72/344862872.db2.gz GAVJZMMBTPDMJW-GHMZBOCLSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H]1C[N@H+](CC(C)C)CC[C@H]1N 251642632 344862911 /nfs/dbraw/zinc/86/29/11/344862911.db2.gz GAVJZMMBTPDMJW-WDEREUQCSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H]1C[N@@H+](CC(C)C)CC[C@H]1N 251642632 344862912 /nfs/dbraw/zinc/86/29/12/344862912.db2.gz GAVJZMMBTPDMJW-WDEREUQCSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H]1CN(CC(C)C)CC[C@H]1[NH3+] 251642632 344862914 /nfs/dbraw/zinc/86/29/14/344862914.db2.gz GAVJZMMBTPDMJW-WDEREUQCSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H]1C[N@H+](CC2CC2)CC[C@H]1N 251656075 344863272 /nfs/dbraw/zinc/86/32/72/344863272.db2.gz GTWCRTSXUAATIE-WDEREUQCSA-N 1 3 182.311 1.456 20 0 ADADHO CC[C@H]1C[N@@H+](CC2CC2)CC[C@H]1N 251656075 344863274 /nfs/dbraw/zinc/86/32/74/344863274.db2.gz GTWCRTSXUAATIE-WDEREUQCSA-N 1 3 182.311 1.456 20 0 ADADHO CC[C@H]1CN(CC2CC2)CC[C@H]1[NH3+] 251656075 344863278 /nfs/dbraw/zinc/86/32/78/344863278.db2.gz GTWCRTSXUAATIE-WDEREUQCSA-N 1 3 182.311 1.456 20 0 ADADHO CC[C@@H]1C[N@H+](CC2CC2)CC[C@H]1N 251656073 344863849 /nfs/dbraw/zinc/86/38/49/344863849.db2.gz GTWCRTSXUAATIE-GHMZBOCLSA-N 1 3 182.311 1.456 20 0 ADADHO CC[C@@H]1CN(CC2CC2)CC[C@H]1[NH3+] 251656073 344863853 /nfs/dbraw/zinc/86/38/53/344863853.db2.gz GTWCRTSXUAATIE-GHMZBOCLSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 251686467 344865934 /nfs/dbraw/zinc/86/59/34/344865934.db2.gz MVRCEZDUFJIWBW-QWRGUYRKSA-N 1 3 182.311 1.328 20 0 ADADHO C[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 251686467 344865936 /nfs/dbraw/zinc/86/59/36/344865936.db2.gz MVRCEZDUFJIWBW-QWRGUYRKSA-N 1 3 182.311 1.328 20 0 ADADHO CC[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 251689365 344865979 /nfs/dbraw/zinc/86/59/79/344865979.db2.gz IIDIKTKXCNJZEK-MNOVXSKESA-N 1 3 182.311 1.328 20 0 ADADHO CC[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 251689368 344866197 /nfs/dbraw/zinc/86/61/97/344866197.db2.gz IIDIKTKXCNJZEK-QWRGUYRKSA-N 1 3 182.311 1.328 20 0 ADADHO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC2)C1 251769975 344871934 /nfs/dbraw/zinc/87/19/34/344871934.db2.gz MJINFQXSDFPESX-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)C1 251769973 344871977 /nfs/dbraw/zinc/87/19/77/344871977.db2.gz MJINFQXSDFPESX-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC2)C[C@H]1C 251842913 344876028 /nfs/dbraw/zinc/87/60/28/344876028.db2.gz OIVCMDPJYMFWID-WISYIIOYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC2)C1 251851326 344876334 /nfs/dbraw/zinc/87/63/34/344876334.db2.gz PAFZCRBMVZESSH-VWYCJHECSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)C1 251851322 344876385 /nfs/dbraw/zinc/87/63/85/344876385.db2.gz PAFZCRBMVZESSH-MXWKQRLJSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@@H](N)C[C@H]1C 251861577 344877203 /nfs/dbraw/zinc/87/72/03/344877203.db2.gz OLLNGCIEGWCOFC-HBNTYKKESA-N 1 3 184.327 1.844 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@@H](N)C[C@H]1C 251861577 344877205 /nfs/dbraw/zinc/87/72/05/344877205.db2.gz OLLNGCIEGWCOFC-HBNTYKKESA-N 1 3 184.327 1.844 20 0 ADADHO CC[C@H](C)CN1CC[C@@H]([NH3+])C[C@H]1C 251861577 344877208 /nfs/dbraw/zinc/87/72/08/344877208.db2.gz OLLNGCIEGWCOFC-HBNTYKKESA-N 1 3 184.327 1.844 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@H](N)C[C@H]1C 251861576 344877401 /nfs/dbraw/zinc/87/74/01/344877401.db2.gz OLLNGCIEGWCOFC-AXFHLTTASA-N 1 3 184.327 1.844 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@H](N)C[C@H]1C 251861576 344877404 /nfs/dbraw/zinc/87/74/04/344877404.db2.gz OLLNGCIEGWCOFC-AXFHLTTASA-N 1 3 184.327 1.844 20 0 ADADHO CC[C@H](C)CN1CC[C@H]([NH3+])C[C@H]1C 251861576 344877407 /nfs/dbraw/zinc/87/74/07/344877407.db2.gz OLLNGCIEGWCOFC-AXFHLTTASA-N 1 3 184.327 1.844 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 252118356 344885974 /nfs/dbraw/zinc/88/59/74/344885974.db2.gz IYFFANINOMPMND-KXUCPTDWSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 252118357 344886594 /nfs/dbraw/zinc/88/65/94/344886594.db2.gz IYFFANINOMPMND-UTLUCORTSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@@H]2CCNC2)C1 252137282 344887918 /nfs/dbraw/zinc/88/79/18/344887918.db2.gz MRTJMTGHHVXQIN-KXNHARMFSA-N 1 3 196.338 1.763 20 0 ADADHO CCSCC[N@H+]1C[C@@H](N)[C@H](C)C1 300047464 344966234 /nfs/dbraw/zinc/96/62/34/344966234.db2.gz DWYZUCUHNRXFCK-RKDXNWHRSA-N 1 3 188.340 1.019 20 0 ADADHO CCSCC[N@@H+]1C[C@@H](N)[C@H](C)C1 300047464 344966235 /nfs/dbraw/zinc/96/62/35/344966235.db2.gz DWYZUCUHNRXFCK-RKDXNWHRSA-N 1 3 188.340 1.019 20 0 ADADHO C[C@@H]1C[NH+](C[C@H]2CCCNC2)C[C@H]1C 252641630 344905766 /nfs/dbraw/zinc/90/57/66/344905766.db2.gz LZSXEXRRSUYFCV-UTUOFQBUSA-N 1 3 196.338 1.574 20 0 ADADHO CC[C@H]1CN(CC)CC[C@H]1[NH3+] 252679035 344907681 /nfs/dbraw/zinc/90/76/81/344907681.db2.gz XPFVOJPNTIEVNC-DTWKUNHWSA-N 1 3 156.273 1.066 20 0 ADADHO CC[C@@H]1C[N@@H+](C(C)C)CC[C@H]1N 252679055 344907730 /nfs/dbraw/zinc/90/77/30/344907730.db2.gz YMGXWYLGNVEXDY-NXEZZACHSA-N 1 3 170.300 1.454 20 0 ADADHO CC[C@@H]1C[N@H+](C(C)C)CC[C@H]1N 252679055 344907731 /nfs/dbraw/zinc/90/77/31/344907731.db2.gz YMGXWYLGNVEXDY-NXEZZACHSA-N 1 3 170.300 1.454 20 0 ADADHO CC[C@@H]1CN(C(C)C)CC[C@H]1[NH3+] 252679055 344907733 /nfs/dbraw/zinc/90/77/33/344907733.db2.gz YMGXWYLGNVEXDY-NXEZZACHSA-N 1 3 170.300 1.454 20 0 ADADHO CC[C@@H]1CN(CC)CC[C@H]1[NH3+] 252679036 344907755 /nfs/dbraw/zinc/90/77/55/344907755.db2.gz XPFVOJPNTIEVNC-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCNCC1 252794953 344914197 /nfs/dbraw/zinc/91/41/97/344914197.db2.gz ZRCVZJVZNVHKMF-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO CC[N@H+](C)[C@H]1CCN[C@H](C)C1 252944657 344920350 /nfs/dbraw/zinc/92/03/50/344920350.db2.gz LJBLYDXAGWWIKX-BDAKNGLRSA-N 1 3 156.273 1.079 20 0 ADADHO CC[N@@H+](C)[C@H]1CCN[C@H](C)C1 252944657 344920354 /nfs/dbraw/zinc/92/03/54/344920354.db2.gz LJBLYDXAGWWIKX-BDAKNGLRSA-N 1 3 156.273 1.079 20 0 ADADHO CCN(C)[C@H]1CC[NH2+][C@H](C)C1 252944657 344920358 /nfs/dbraw/zinc/92/03/58/344920358.db2.gz LJBLYDXAGWWIKX-BDAKNGLRSA-N 1 3 156.273 1.079 20 0 ADADHO CC[N@H+](C)[C@@H]1CCN[C@H](C)C1 252944659 344920387 /nfs/dbraw/zinc/92/03/87/344920387.db2.gz LJBLYDXAGWWIKX-RKDXNWHRSA-N 1 3 156.273 1.079 20 0 ADADHO CC[N@@H+](C)[C@@H]1CCN[C@H](C)C1 252944659 344920391 /nfs/dbraw/zinc/92/03/91/344920391.db2.gz LJBLYDXAGWWIKX-RKDXNWHRSA-N 1 3 156.273 1.079 20 0 ADADHO CCN(C)[C@@H]1CC[NH2+][C@H](C)C1 252944659 344920393 /nfs/dbraw/zinc/92/03/93/344920393.db2.gz LJBLYDXAGWWIKX-RKDXNWHRSA-N 1 3 156.273 1.079 20 0 ADADHO CC(C)[N@H+](C)[C@H]1CCN[C@H](C)C1 252944761 344921196 /nfs/dbraw/zinc/92/11/96/344921196.db2.gz LLBYBZFIZSHRDB-ZJUUUORDSA-N 1 3 170.300 1.467 20 0 ADADHO CC(C)[N@@H+](C)[C@H]1CCN[C@H](C)C1 252944761 344921202 /nfs/dbraw/zinc/92/12/02/344921202.db2.gz LLBYBZFIZSHRDB-ZJUUUORDSA-N 1 3 170.300 1.467 20 0 ADADHO CC(C)N(C)[C@H]1CC[NH2+][C@H](C)C1 252944761 344921207 /nfs/dbraw/zinc/92/12/07/344921207.db2.gz LLBYBZFIZSHRDB-ZJUUUORDSA-N 1 3 170.300 1.467 20 0 ADADHO CC(C)[N@H+](C)[C@@H]1CCN[C@H](C)C1 252944760 344921224 /nfs/dbraw/zinc/92/12/24/344921224.db2.gz LLBYBZFIZSHRDB-NXEZZACHSA-N 1 3 170.300 1.467 20 0 ADADHO CC(C)[N@@H+](C)[C@@H]1CCN[C@H](C)C1 252944760 344921228 /nfs/dbraw/zinc/92/12/28/344921228.db2.gz LLBYBZFIZSHRDB-NXEZZACHSA-N 1 3 170.300 1.467 20 0 ADADHO CC(C)N(C)[C@@H]1CC[NH2+][C@H](C)C1 252944760 344921229 /nfs/dbraw/zinc/92/12/29/344921229.db2.gz LLBYBZFIZSHRDB-NXEZZACHSA-N 1 3 170.300 1.467 20 0 ADADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)CC[C@H]1N 252957544 344922489 /nfs/dbraw/zinc/92/24/89/344922489.db2.gz KNMFGXWOPAGIKT-CHWFTXMASA-N 1 3 182.311 1.312 20 0 ADADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)CC[C@H]1N 252957544 344922492 /nfs/dbraw/zinc/92/24/92/344922492.db2.gz KNMFGXWOPAGIKT-CHWFTXMASA-N 1 3 182.311 1.312 20 0 ADADHO C[C@@H]1CN(C[C@@H]2C[C@H]2C)CC[C@H]1[NH3+] 252957544 344922494 /nfs/dbraw/zinc/92/24/94/344922494.db2.gz KNMFGXWOPAGIKT-CHWFTXMASA-N 1 3 182.311 1.312 20 0 ADADHO C[C@H]1C[C@H]1C[N@H+]1CC[C@@H](N)[C@H](C)C1 252957545 344922557 /nfs/dbraw/zinc/92/25/57/344922557.db2.gz KNMFGXWOPAGIKT-ZRUFSTJUSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@H]1C[C@H]1CN1CC[C@@H]([NH3+])[C@H](C)C1 252957545 344922558 /nfs/dbraw/zinc/92/25/58/344922558.db2.gz KNMFGXWOPAGIKT-ZRUFSTJUSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](N)C[C@H]1C 252972793 344923402 /nfs/dbraw/zinc/92/34/02/344923402.db2.gz ZXSPFOGGCFZCRA-GWOFURMSSA-N 1 3 182.311 1.454 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](N)C[C@H]1C 252972793 344923403 /nfs/dbraw/zinc/92/34/03/344923403.db2.gz ZXSPFOGGCFZCRA-GWOFURMSSA-N 1 3 182.311 1.454 20 0 ADADHO C[C@@H]1C[C@@H]1CN1CC[C@@H]([NH3+])C[C@H]1C 252972793 344923405 /nfs/dbraw/zinc/92/34/05/344923405.db2.gz ZXSPFOGGCFZCRA-GWOFURMSSA-N 1 3 182.311 1.454 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](N)C[C@H]1C 252972792 344923423 /nfs/dbraw/zinc/92/34/23/344923423.db2.gz ZXSPFOGGCFZCRA-DBIOUOCHSA-N 1 3 182.311 1.454 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](N)C[C@H]1C 252972792 344923425 /nfs/dbraw/zinc/92/34/25/344923425.db2.gz ZXSPFOGGCFZCRA-DBIOUOCHSA-N 1 3 182.311 1.454 20 0 ADADHO C[C@@H]1C[C@@H]1CN1CC[C@H]([NH3+])C[C@H]1C 252972792 344923427 /nfs/dbraw/zinc/92/34/27/344923427.db2.gz ZXSPFOGGCFZCRA-DBIOUOCHSA-N 1 3 182.311 1.454 20 0 ADADHO C[C@H]1CC[N@H+](CCCN)C[C@H]1C 253080241 344926675 /nfs/dbraw/zinc/92/66/75/344926675.db2.gz VHJYFVIAWPFZFU-VHSXEESVSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@H]1CC[N@@H+](CCCN)C[C@H]1C 253080241 344926676 /nfs/dbraw/zinc/92/66/76/344926676.db2.gz VHJYFVIAWPFZFU-VHSXEESVSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@H]1CCN(CCC[NH3+])C[C@H]1C 253080241 344926679 /nfs/dbraw/zinc/92/66/79/344926679.db2.gz VHJYFVIAWPFZFU-VHSXEESVSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN2)C1 253278930 344932007 /nfs/dbraw/zinc/93/20/07/344932007.db2.gz JTYKKAQNJIEGGU-OUAUKWLOSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CC[C@H](NC[C@H]2CCCC[NH2+]2)C1 253245166 344932053 /nfs/dbraw/zinc/93/20/53/344932053.db2.gz GATMLGPONHLTAE-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 253245167 344932133 /nfs/dbraw/zinc/93/21/33/344932133.db2.gz GATMLGPONHLTAE-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN2)C1 253278928 344932158 /nfs/dbraw/zinc/93/21/58/344932158.db2.gz JTYKKAQNJIEGGU-GMTAPVOTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CC[C@H](C)C1 253289972 344932461 /nfs/dbraw/zinc/93/24/61/344932461.db2.gz PJNCGSYDYKIXCD-GUBZILKMSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCNC2)C1 253291750 344932540 /nfs/dbraw/zinc/93/25/40/344932540.db2.gz QXGMSTYCSMNGAF-WOPDTQHZSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@H](C)C1 253289973 344932897 /nfs/dbraw/zinc/93/28/97/344932897.db2.gz PJNCGSYDYKIXCD-LPEHRKFASA-N 1 3 170.300 1.502 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCNC2)C1 253291749 344932945 /nfs/dbraw/zinc/93/29/45/344932945.db2.gz QXGMSTYCSMNGAF-GRYCIOLGSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC2)C1 253628443 344935426 /nfs/dbraw/zinc/93/54/26/344935426.db2.gz XTFGEXXLGNAKSV-UTLUCORTSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC2)C1 253628442 344935672 /nfs/dbraw/zinc/93/56/72/344935672.db2.gz XTFGEXXLGNAKSV-BBBLOLIVSA-N 1 3 168.284 1.127 20 0 ADADHO CC[C@@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 259319058 344947878 /nfs/dbraw/zinc/94/78/78/344947878.db2.gz QQQWLQREPIQDPL-GHMZBOCLSA-N 1 3 182.311 1.470 20 0 ADADHO CC[C@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 259319064 344947928 /nfs/dbraw/zinc/94/79/28/344947928.db2.gz QQQWLQREPIQDPL-WDEREUQCSA-N 1 3 182.311 1.470 20 0 ADADHO CCCCN1C[C@@H]([NH3+])[C@H](C)C1 300048131 344966305 /nfs/dbraw/zinc/96/63/05/344966305.db2.gz HTMOSHHXOXADSI-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1CN(CC2CCCCC2)C[C@H]1[NH3+] 300049927 344967813 /nfs/dbraw/zinc/96/78/13/344967813.db2.gz VMRDEZNODQHRFU-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CN(CCC(C)(C)C)C[C@H]1[NH3+] 300049997 344968012 /nfs/dbraw/zinc/96/80/12/344968012.db2.gz WFNIMBXNGLQLBR-VHSXEESVSA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)N1C[C@@H]([NH3+])[C@H](C)C1 300052244 344968222 /nfs/dbraw/zinc/96/82/22/344968222.db2.gz FLGJRKYGGOWYHY-HRDYMLBCSA-N 1 3 156.273 1.064 20 0 ADADHO C[C@H]1CN(CC2(C)CC2)CC[C@H]1[NH3+] 300366918 344977989 /nfs/dbraw/zinc/97/79/89/344977989.db2.gz HLFRDFHLJGOHRK-VHSXEESVSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[N@H+](CC2(C)CC2)CC[C@H]1N 300366918 344977991 /nfs/dbraw/zinc/97/79/91/344977991.db2.gz HLFRDFHLJGOHRK-VHSXEESVSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[N@@H+](CC2(C)CC2)CC[C@H]1N 300366918 344977993 /nfs/dbraw/zinc/97/79/93/344977993.db2.gz HLFRDFHLJGOHRK-VHSXEESVSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1CN(CC2(C)CC2)CC[C@H]1[NH3+] 300366617 344978039 /nfs/dbraw/zinc/97/80/39/344978039.db2.gz HLFRDFHLJGOHRK-NXEZZACHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[N@H+](CC2(C)CC2)CC[C@H]1N 300366617 344978042 /nfs/dbraw/zinc/97/80/42/344978042.db2.gz HLFRDFHLJGOHRK-NXEZZACHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[N@@H+](CC2(C)CC2)CC[C@H]1N 300366617 344978044 /nfs/dbraw/zinc/97/80/44/344978044.db2.gz HLFRDFHLJGOHRK-NXEZZACHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1CN(CCC2CCCC2)C[C@H]1[NH3+] 300744051 344986369 /nfs/dbraw/zinc/98/63/69/344986369.db2.gz JAFNMTLRISOJBA-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CN(CCC2CCCC2)C[C@@H]1[NH3+] 300744053 344986395 /nfs/dbraw/zinc/98/63/95/344986395.db2.gz JAFNMTLRISOJBA-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO CSCCC[N@H+](C)CC(C)(C)N 300762437 344992033 /nfs/dbraw/zinc/99/20/33/344992033.db2.gz NAJHERPBGTUOCZ-UHFFFAOYSA-N 1 3 190.356 1.409 20 0 ADADHO CSCCC[N@@H+](C)CC(C)(C)N 300762437 344992036 /nfs/dbraw/zinc/99/20/36/344992036.db2.gz NAJHERPBGTUOCZ-UHFFFAOYSA-N 1 3 190.356 1.409 20 0 ADADHO CSC1CCN(CCC[NH3+])CC1 300779957 344996784 /nfs/dbraw/zinc/99/67/84/344996784.db2.gz UMXGMSMVTUWVOJ-UHFFFAOYSA-N 1 3 188.340 1.163 20 0 ADADHO CCC[NH2+][C@@H]1CCNCC1(C)C 300794535 344999408 /nfs/dbraw/zinc/99/94/08/344999408.db2.gz ZITAMVWPVXGMGA-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO CC1(C)CNCC[C@@H]1[NH2+]CC1CC1 300815718 345001142 /nfs/dbraw/zinc/00/11/42/345001142.db2.gz HYVBNTNXTBUTBF-JTQLQIEISA-N 1 3 182.311 1.374 20 0 ADADHO CC1(C)CNCC[C@H]1[NH2+]CC1CC1 300815720 345001235 /nfs/dbraw/zinc/00/12/35/345001235.db2.gz HYVBNTNXTBUTBF-SNVBAGLBSA-N 1 3 182.311 1.374 20 0 ADADHO CC1(C)CNCC[C@H]1[NH2+]CC1CCC1 300848816 345005410 /nfs/dbraw/zinc/00/54/10/345005410.db2.gz NKRBIZVVSZJVKE-LLVKDONJSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)[NH2+][C@@H]1CCNC1(C)C 306169390 345060339 /nfs/dbraw/zinc/06/03/39/345060339.db2.gz DFJIJNGIIPFEHG-MRVPVSSYSA-N 1 3 156.273 1.125 20 0 ADADHO CC(C)[NH2+][C@H]1CCNC1(C)C 306169392 345060530 /nfs/dbraw/zinc/06/05/30/345060530.db2.gz DFJIJNGIIPFEHG-QMMMGPOBSA-N 1 3 156.273 1.125 20 0 ADADHO C[C@@H]1CC[C@H]1N[C@H]1CCC[NH2+]C1 306185668 345076074 /nfs/dbraw/zinc/07/60/74/345076074.db2.gz RVGXURDDPTVULC-KXUCPTDWSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1CC[C@@H]1N[C@@H]1CCC[NH2+]C1 306185666 345076098 /nfs/dbraw/zinc/07/60/98/345076098.db2.gz RVGXURDDPTVULC-BBBLOLIVSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1CC[C@H]1N[C@@H]1CCC[NH2+]C1 306185670 345076118 /nfs/dbraw/zinc/07/61/18/345076118.db2.gz RVGXURDDPTVULC-OPRDCNLKSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1CC[C@@H]1N[C@H]1CCC[NH2+]C1 306185673 345076289 /nfs/dbraw/zinc/07/62/89/345076289.db2.gz RVGXURDDPTVULC-UTLUCORTSA-N 1 3 168.284 1.127 20 0 ADADHO C[N@@H+](CC(C)(C)N)[C@H]1CC1(C)C 306233090 345126657 /nfs/dbraw/zinc/12/66/57/345126657.db2.gz LBIOTQXLYVWVKS-QMMMGPOBSA-N 1 3 170.300 1.454 20 0 ADADHO C[N@H+](CC(C)(C)N)[C@H]1CC1(C)C 306233090 345126656 /nfs/dbraw/zinc/12/66/56/345126656.db2.gz LBIOTQXLYVWVKS-QMMMGPOBSA-N 1 3 170.300 1.454 20 0 ADADHO C[N@H+](CC(C)(C)N)[C@@H]1CC1(C)C 306233089 345126592 /nfs/dbraw/zinc/12/65/92/345126592.db2.gz LBIOTQXLYVWVKS-MRVPVSSYSA-N 1 3 170.300 1.454 20 0 ADADHO C[N@@H+](CC(C)(C)N)[C@@H]1CC1(C)C 306233089 345126594 /nfs/dbraw/zinc/12/65/94/345126594.db2.gz LBIOTQXLYVWVKS-MRVPVSSYSA-N 1 3 170.300 1.454 20 0 ADADHO CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 306251790 345143771 /nfs/dbraw/zinc/14/37/71/345143771.db2.gz UMAYOMVSJAPIKS-UWVGGRQHSA-N 1 3 168.284 1.067 20 0 ADADHO CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 306251790 345143773 /nfs/dbraw/zinc/14/37/73/345143773.db2.gz UMAYOMVSJAPIKS-UWVGGRQHSA-N 1 3 168.284 1.067 20 0 ADADHO CC(C)C[N@@H+]1C[C@H]2CCNC[C@H]2C1 306256795 345148031 /nfs/dbraw/zinc/14/80/31/345148031.db2.gz WZYOLMVZTVGOMH-MNOVXSKESA-N 1 3 182.311 1.184 20 0 ADADHO CC(C)C[N@H+]1C[C@H]2CCNC[C@H]2C1 306256795 345148034 /nfs/dbraw/zinc/14/80/34/345148034.db2.gz WZYOLMVZTVGOMH-MNOVXSKESA-N 1 3 182.311 1.184 20 0 ADADHO CC(C)C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 306256797 345148065 /nfs/dbraw/zinc/14/80/65/345148065.db2.gz WZYOLMVZTVGOMH-WDEREUQCSA-N 1 3 182.311 1.184 20 0 ADADHO CC(C)C[N@H+]1C[C@@H]2CCNC[C@@H]2C1 306256797 345148067 /nfs/dbraw/zinc/14/80/67/345148067.db2.gz WZYOLMVZTVGOMH-WDEREUQCSA-N 1 3 182.311 1.184 20 0 ADADHO C[C@H]1C[C@H]1CN1CCC(C)([NH3+])CC1 306269346 345157895 /nfs/dbraw/zinc/15/78/95/345157895.db2.gz SNIUTGJMSVYBSU-UWVGGRQHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[C@@H]1CN1CCC(C)([NH3+])CC1 306269347 345158017 /nfs/dbraw/zinc/15/80/17/345158017.db2.gz SNIUTGJMSVYBSU-VHSXEESVSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[C@H]1CN1CCC(C)([NH3+])CC1 306269348 345158045 /nfs/dbraw/zinc/15/80/45/345158045.db2.gz SNIUTGJMSVYBSU-ZJUUUORDSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[C@@H]1CN1CCC(C)([NH3+])CC1 306269345 345158064 /nfs/dbraw/zinc/15/80/64/345158064.db2.gz SNIUTGJMSVYBSU-NXEZZACHSA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)[N@@H+]1CCC[C@H](N(C)C)CC1 306289502 345171494 /nfs/dbraw/zinc/17/14/94/345171494.db2.gz NXBUCGHBVIUERD-NSHDSACASA-N 1 3 184.327 1.811 20 0 ADADHO CC(C)[N@H+]1CCC[C@H](N(C)C)CC1 306289502 345171497 /nfs/dbraw/zinc/17/14/97/345171497.db2.gz NXBUCGHBVIUERD-NSHDSACASA-N 1 3 184.327 1.811 20 0 ADADHO CC(C)N1CCC[C@H]([NH+](C)C)CC1 306289502 345171499 /nfs/dbraw/zinc/17/14/99/345171499.db2.gz NXBUCGHBVIUERD-NSHDSACASA-N 1 3 184.327 1.811 20 0 ADADHO CC(C)[N@@H+]1CCC[C@@H](N(C)C)CC1 306289501 345171715 /nfs/dbraw/zinc/17/17/15/345171715.db2.gz NXBUCGHBVIUERD-LLVKDONJSA-N 1 3 184.327 1.811 20 0 ADADHO CC(C)[N@H+]1CCC[C@@H](N(C)C)CC1 306289501 345171718 /nfs/dbraw/zinc/17/17/18/345171718.db2.gz NXBUCGHBVIUERD-LLVKDONJSA-N 1 3 184.327 1.811 20 0 ADADHO CC(C)N1CCC[C@@H]([NH+](C)C)CC1 306289501 345171721 /nfs/dbraw/zinc/17/17/21/345171721.db2.gz NXBUCGHBVIUERD-LLVKDONJSA-N 1 3 184.327 1.811 20 0 ADADHO CC1CC([NH2+]CC2=CCN(C)CC2)C1 306314756 345193708 /nfs/dbraw/zinc/19/37/08/345193708.db2.gz PXTCZLCLLVCPJV-UHFFFAOYSA-N 1 3 194.322 1.636 20 0 ADADHO CC1(C)NCC[C@@H]1[NH2+]C1CCCC1 306331133 345207875 /nfs/dbraw/zinc/20/78/75/345207875.db2.gz CGRPHADWVDGKDL-JTQLQIEISA-N 1 3 182.311 1.659 20 0 ADADHO CC1(C)NCC[C@H]1[NH2+]C1CCCC1 306331134 345208141 /nfs/dbraw/zinc/20/81/41/345208141.db2.gz CGRPHADWVDGKDL-SNVBAGLBSA-N 1 3 182.311 1.659 20 0 ADADHO CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCCNC1 306566739 345443293 /nfs/dbraw/zinc/44/32/93/345443293.db2.gz BIZHZCAEHXWMRU-MNOVXSKESA-N 1 3 196.338 1.764 20 0 ADADHO CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCCNC1 306566741 345443557 /nfs/dbraw/zinc/44/35/57/345443557.db2.gz BIZHZCAEHXWMRU-QWRGUYRKSA-N 1 3 196.338 1.764 20 0 ADADHO CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCCNC1 306566737 345443624 /nfs/dbraw/zinc/44/36/24/345443624.db2.gz BIZHZCAEHXWMRU-GHMZBOCLSA-N 1 3 196.338 1.764 20 0 ADADHO CC1(C)CC[C@H]1[NH2+]C[C@H]1CCCNC1 306566742 345443730 /nfs/dbraw/zinc/44/37/30/345443730.db2.gz BIZHZCAEHXWMRU-WDEREUQCSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCNC[C@@H]2C1 306582532 345459774 /nfs/dbraw/zinc/45/97/74/345459774.db2.gz DLVMVUOMDMOZBI-SDDRHHMPSA-N 1 3 196.338 1.574 20 0 ADADHO CC(C)[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 306675926 345538114 /nfs/dbraw/zinc/53/81/14/345538114.db2.gz UUGYCABGNMPIMD-OUAUKWLOSA-N 1 3 184.327 1.761 20 0 ADADHO CC(C)[C@@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 306675924 345538252 /nfs/dbraw/zinc/53/82/52/345538252.db2.gz UUGYCABGNMPIMD-GMTAPVOTSA-N 1 3 184.327 1.761 20 0 ADADHO CC(C)[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 306675927 345538260 /nfs/dbraw/zinc/53/82/60/345538260.db2.gz UUGYCABGNMPIMD-VWYCJHECSA-N 1 3 184.327 1.761 20 0 ADADHO CC(C)[C@@H](C)[NH2+][C@H]1CCN[C@H](C)C1 306675925 345538348 /nfs/dbraw/zinc/53/83/48/345538348.db2.gz UUGYCABGNMPIMD-MXWKQRLJSA-N 1 3 184.327 1.761 20 0 ADADHO FCCN1CCC2(CC[NH2+]CC2)C1 306706820 345560770 /nfs/dbraw/zinc/56/07/70/345560770.db2.gz KRQRSSUUCALVTQ-UHFFFAOYSA-N 1 3 186.274 1.031 20 0 ADADHO C[C@H]1[C@H](C)CC[N@@H+]1CCCN 306733599 345581411 /nfs/dbraw/zinc/58/14/11/345581411.db2.gz IIDBZXYLTYHQQX-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1CC[N@H+](CCCN)[C@@H]1C 306738127 345584675 /nfs/dbraw/zinc/58/46/75/345584675.db2.gz IIDBZXYLTYHQQX-DTWKUNHWSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1CC[N@@H+](CCCN)[C@@H]1C 306738127 345584678 /nfs/dbraw/zinc/58/46/78/345584678.db2.gz IIDBZXYLTYHQQX-DTWKUNHWSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1CC[N@H+](CCCN)[C@H]1C 306738131 345584934 /nfs/dbraw/zinc/58/49/34/345584934.db2.gz IIDBZXYLTYHQQX-IUCAKERBSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1CC[N@@H+](CCCN)[C@H]1C 306738131 345584937 /nfs/dbraw/zinc/58/49/37/345584937.db2.gz IIDBZXYLTYHQQX-IUCAKERBSA-N 1 3 156.273 1.066 20 0 ADADHO CCCN[C@H]1CCC[NH2+][C@@H]1C 306918104 345697391 /nfs/dbraw/zinc/69/73/91/345697391.db2.gz ZBFGYOJBZDLNSI-BDAKNGLRSA-N 1 3 156.273 1.127 20 0 ADADHO CCCN[C@H]1CCC[NH2+][C@H]1C 306918106 345697433 /nfs/dbraw/zinc/69/74/33/345697433.db2.gz ZBFGYOJBZDLNSI-IUCAKERBSA-N 1 3 156.273 1.127 20 0 ADADHO CCCN[C@@H]1CCC[NH2+][C@H]1C 306918105 345697441 /nfs/dbraw/zinc/69/74/41/345697441.db2.gz ZBFGYOJBZDLNSI-DTWKUNHWSA-N 1 3 156.273 1.127 20 0 ADADHO CCCN[C@@H]1CCC[NH2+][C@@H]1C 306918107 345697492 /nfs/dbraw/zinc/69/74/92/345697492.db2.gz ZBFGYOJBZDLNSI-RKDXNWHRSA-N 1 3 156.273 1.127 20 0 ADADHO NCCC[N@@H+]1CCC2(CCCC2)C1 306980079 345731717 /nfs/dbraw/zinc/73/17/17/345731717.db2.gz FFDHDCMYZPYBMZ-UHFFFAOYSA-N 1 3 182.311 1.601 20 0 ADADHO NCCC[N@H+]1CCC2(CCCC2)C1 306980079 345731719 /nfs/dbraw/zinc/73/17/19/345731719.db2.gz FFDHDCMYZPYBMZ-UHFFFAOYSA-N 1 3 182.311 1.601 20 0 ADADHO CC[N@@H+]1CCC[C@H]1C[C@H](C)N 306987339 345735855 /nfs/dbraw/zinc/73/58/55/345735855.db2.gz YSMUEUXVPJLRCY-IUCAKERBSA-N 1 3 156.273 1.208 20 0 ADADHO CC[N@H+]1CCC[C@H]1C[C@H](C)N 306987339 345735856 /nfs/dbraw/zinc/73/58/56/345735856.db2.gz YSMUEUXVPJLRCY-IUCAKERBSA-N 1 3 156.273 1.208 20 0 ADADHO CC[N@@H+]1CCC[C@H]1C[C@@H](C)N 306987337 345735866 /nfs/dbraw/zinc/73/58/66/345735866.db2.gz YSMUEUXVPJLRCY-BDAKNGLRSA-N 1 3 156.273 1.208 20 0 ADADHO CC[N@H+]1CCC[C@H]1C[C@@H](C)N 306987337 345735868 /nfs/dbraw/zinc/73/58/68/345735868.db2.gz YSMUEUXVPJLRCY-BDAKNGLRSA-N 1 3 156.273 1.208 20 0 ADADHO CC[N@@H+]1CCC[C@@H]1C[C@@H](C)N 306987340 345735883 /nfs/dbraw/zinc/73/58/83/345735883.db2.gz YSMUEUXVPJLRCY-RKDXNWHRSA-N 1 3 156.273 1.208 20 0 ADADHO CC[N@H+]1CCC[C@@H]1C[C@@H](C)N 306987340 345735885 /nfs/dbraw/zinc/73/58/85/345735885.db2.gz YSMUEUXVPJLRCY-RKDXNWHRSA-N 1 3 156.273 1.208 20 0 ADADHO CC[N@@H+]1CCC[C@@H]1C[C@H](C)N 306987338 345736126 /nfs/dbraw/zinc/73/61/26/345736126.db2.gz YSMUEUXVPJLRCY-DTWKUNHWSA-N 1 3 156.273 1.208 20 0 ADADHO CC[N@H+]1CCC[C@@H]1C[C@H](C)N 306987338 345736129 /nfs/dbraw/zinc/73/61/29/345736129.db2.gz YSMUEUXVPJLRCY-DTWKUNHWSA-N 1 3 156.273 1.208 20 0 ADADHO C[C@H]1[NH2+]CCC[C@@H]1NCC1CC1 307013437 345752791 /nfs/dbraw/zinc/75/27/91/345752791.db2.gz NTKBYIFFYBQNQW-SCZZXKLOSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1[NH2+]CCC[C@H]1NCC1CC1 307013434 345752874 /nfs/dbraw/zinc/75/28/74/345752874.db2.gz NTKBYIFFYBQNQW-PSASIEDQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1C[C@H]([NH3+])CN1CC1CCC1 307037203 345769935 /nfs/dbraw/zinc/76/99/35/345769935.db2.gz OVXNAVDMLYZBHP-SCZZXKLOSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@@H]1C[C@@H]([NH3+])CN1CC1CCC1 307037202 345770059 /nfs/dbraw/zinc/77/00/59/345770059.db2.gz OVXNAVDMLYZBHP-PSASIEDQSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@H]1C[C@@H]([NH3+])CN1CC1CCC1 307037204 345770082 /nfs/dbraw/zinc/77/00/82/345770082.db2.gz OVXNAVDMLYZBHP-WCBMZHEXSA-N 1 3 168.284 1.208 20 0 ADADHO C[C@H]1C[C@H]([NH3+])CN1CC1CCC1 307037205 345770109 /nfs/dbraw/zinc/77/01/09/345770109.db2.gz OVXNAVDMLYZBHP-WPRPVWTQSA-N 1 3 168.284 1.208 20 0 ADADHO CC1([NH3+])CCN(CC2(C)CC2)CC1 307078585 345797692 /nfs/dbraw/zinc/79/76/92/345797692.db2.gz HBIOPRAKZOTKKN-UHFFFAOYSA-N 1 3 182.311 1.600 20 0 ADADHO CC(C)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 307144585 345838225 /nfs/dbraw/zinc/83/82/25/345838225.db2.gz FWZRQFSOOVVADE-QWRGUYRKSA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 307144585 345838227 /nfs/dbraw/zinc/83/82/27/345838227.db2.gz FWZRQFSOOVVADE-QWRGUYRKSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1[C@@H]([NH3+])CCN1CC1CCCCC1 307158926 345851053 /nfs/dbraw/zinc/85/10/53/345851053.db2.gz TZCUWYDYADAAIM-JQWIXIFHSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H]1[C@H]([NH3+])CCN1CC1CCCCC1 307158925 345851211 /nfs/dbraw/zinc/85/12/11/345851211.db2.gz TZCUWYDYADAAIM-CMPLNLGQSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1C[C@H]1C 307210685 345893994 /nfs/dbraw/zinc/89/39/94/345893994.db2.gz MSQIVGFWYUWTKW-LMLFDSFASA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]1C[C@@H]1CN[C@H]1CCC[NH2+][C@@H]1C 307210682 345894170 /nfs/dbraw/zinc/89/41/70/345894170.db2.gz MSQIVGFWYUWTKW-DBIOUOCHSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1C[C@H]1C 307210686 345894187 /nfs/dbraw/zinc/89/41/87/345894187.db2.gz MSQIVGFWYUWTKW-YTWAJWBKSA-N 1 3 182.311 1.373 20 0 ADADHO C[N@H+](C[C@@H]1CCCNC1)[C@H]1CC1(C)C 307221480 345900723 /nfs/dbraw/zinc/90/07/23/345900723.db2.gz IWBSXFLGLMHTPY-MNOVXSKESA-N 1 3 196.338 1.716 20 0 ADADHO C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CC1(C)C 307221480 345900726 /nfs/dbraw/zinc/90/07/26/345900726.db2.gz IWBSXFLGLMHTPY-MNOVXSKESA-N 1 3 196.338 1.716 20 0 ADADHO C[N@H+](C[C@H]1CCCNC1)[C@@H]1CC1(C)C 307221483 345900774 /nfs/dbraw/zinc/90/07/74/345900774.db2.gz IWBSXFLGLMHTPY-WDEREUQCSA-N 1 3 196.338 1.716 20 0 ADADHO C[N@@H+](C[C@H]1CCCNC1)[C@@H]1CC1(C)C 307221483 345900776 /nfs/dbraw/zinc/90/07/76/345900776.db2.gz IWBSXFLGLMHTPY-WDEREUQCSA-N 1 3 196.338 1.716 20 0 ADADHO C[N@H+](C[C@H]1CCCNC1)[C@H]1CC1(C)C 307221481 345900994 /nfs/dbraw/zinc/90/09/94/345900994.db2.gz IWBSXFLGLMHTPY-QWRGUYRKSA-N 1 3 196.338 1.716 20 0 ADADHO C[N@@H+](C[C@H]1CCCNC1)[C@H]1CC1(C)C 307221481 345900996 /nfs/dbraw/zinc/90/09/96/345900996.db2.gz IWBSXFLGLMHTPY-QWRGUYRKSA-N 1 3 196.338 1.716 20 0 ADADHO C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CC1(C)C 307221479 345901192 /nfs/dbraw/zinc/90/11/92/345901192.db2.gz IWBSXFLGLMHTPY-GHMZBOCLSA-N 1 3 196.338 1.716 20 0 ADADHO C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CC1(C)C 307221479 345901193 /nfs/dbraw/zinc/90/11/93/345901193.db2.gz IWBSXFLGLMHTPY-GHMZBOCLSA-N 1 3 196.338 1.716 20 0 ADADHO CC(C)([NH3+])CN1CCC2(CCCC2)C1 307232384 345909759 /nfs/dbraw/zinc/90/97/59/345909759.db2.gz CVXFKZKBLKRDKM-UHFFFAOYSA-N 1 3 196.338 1.990 20 0 ADADHO C[C@H]1[C@@H]([NH3+])CCN1CCC(C)(C)C 307258649 345929515 /nfs/dbraw/zinc/92/95/15/345929515.db2.gz CHIGFGYUUWQJIS-UWVGGRQHSA-N 1 3 184.327 1.844 20 0 ADADHO C[C@H]1[C@H]([NH3+])CCN1CCC(C)(C)C 307258650 345929640 /nfs/dbraw/zinc/92/96/40/345929640.db2.gz CHIGFGYUUWQJIS-VHSXEESVSA-N 1 3 184.327 1.844 20 0 ADADHO C[C@H]([NH3+])CN1CCC2(CCCC2)C1 307348472 345986574 /nfs/dbraw/zinc/98/65/74/345986574.db2.gz NVACKQBYQBLPCU-JTQLQIEISA-N 1 3 182.311 1.600 20 0 ADADHO C[C@@H]([NH3+])CN1CCC2(CCCC2)C1 307369253 345999668 /nfs/dbraw/zinc/99/96/68/345999668.db2.gz NVACKQBYQBLPCU-SNVBAGLBSA-N 1 3 182.311 1.600 20 0 ADADHO C[C@H]1[NH2+]CCC[C@H]1NC1CCC1 307415894 346029350 /nfs/dbraw/zinc/02/93/50/346029350.db2.gz NDJOVCFKDMDYMW-PSASIEDQSA-N 1 3 168.284 1.269 20 0 ADADHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCC1 307415895 346029372 /nfs/dbraw/zinc/02/93/72/346029372.db2.gz NDJOVCFKDMDYMW-SCZZXKLOSA-N 1 3 168.284 1.269 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCC1 307415896 346029617 /nfs/dbraw/zinc/02/96/17/346029617.db2.gz NDJOVCFKDMDYMW-WCBMZHEXSA-N 1 3 168.284 1.269 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCC1 307415897 346029670 /nfs/dbraw/zinc/02/96/70/346029670.db2.gz NDJOVCFKDMDYMW-WPRPVWTQSA-N 1 3 168.284 1.269 20 0 ADADHO CC1(C)CC[C@H]1[NH2+]C1CCNCC1 307448829 346046463 /nfs/dbraw/zinc/04/64/63/346046463.db2.gz ZNLXEWPVFAABMD-SNVBAGLBSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)CC[C@@H]1[NH2+]C1CCNCC1 307448827 346046494 /nfs/dbraw/zinc/04/64/94/346046494.db2.gz ZNLXEWPVFAABMD-JTQLQIEISA-N 1 3 182.311 1.517 20 0 ADADHO CCCCN1C[C@@H]([NH3+])C[C@H]1C 307478481 346064575 /nfs/dbraw/zinc/06/45/75/346064575.db2.gz NKOGXIWOLPQIJQ-BDAKNGLRSA-N 1 3 156.273 1.208 20 0 ADADHO CCCCN1C[C@H]([NH3+])C[C@H]1C 307478484 346064597 /nfs/dbraw/zinc/06/45/97/346064597.db2.gz NKOGXIWOLPQIJQ-RKDXNWHRSA-N 1 3 156.273 1.208 20 0 ADADHO CCCCN1C[C@@H]([NH3+])C[C@@H]1C 307478483 346064628 /nfs/dbraw/zinc/06/46/28/346064628.db2.gz NKOGXIWOLPQIJQ-IUCAKERBSA-N 1 3 156.273 1.208 20 0 ADADHO CCCCN1C[C@H]([NH3+])C[C@@H]1C 307478482 346064686 /nfs/dbraw/zinc/06/46/86/346064686.db2.gz NKOGXIWOLPQIJQ-DTWKUNHWSA-N 1 3 156.273 1.208 20 0 ADADHO CC(C)CN1C[C@@H]([NH3+])C[C@H]1C 307596731 346137068 /nfs/dbraw/zinc/13/70/68/346137068.db2.gz MUIJKVBAXYNKDN-BDAKNGLRSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)CN1C[C@H]([NH3+])C[C@H]1C 307596734 346136837 /nfs/dbraw/zinc/13/68/37/346136837.db2.gz MUIJKVBAXYNKDN-RKDXNWHRSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)CN1C[C@@H]([NH3+])C[C@@H]1C 307596733 346136860 /nfs/dbraw/zinc/13/68/60/346136860.db2.gz MUIJKVBAXYNKDN-IUCAKERBSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)CN1C[C@H]([NH3+])C[C@@H]1C 307596732 346136988 /nfs/dbraw/zinc/13/69/88/346136988.db2.gz MUIJKVBAXYNKDN-DTWKUNHWSA-N 1 3 156.273 1.064 20 0 ADADHO CC[C@H](C)CN1CC[C@]2(CC[NH2+]C2)C1 307598970 346138442 /nfs/dbraw/zinc/13/84/42/346138442.db2.gz PMCSCTRHPLHUMT-RYUDHWBXSA-N 1 3 196.338 1.718 20 0 ADADHO CC1([NH3+])CCN(CC2CC2)CC1 307606589 346142974 /nfs/dbraw/zinc/14/29/74/346142974.db2.gz DSBKYHBHMZTEOZ-UHFFFAOYSA-N 1 3 168.284 1.210 20 0 ADADHO CCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307617574 346150100 /nfs/dbraw/zinc/15/01/00/346150100.db2.gz WPZGZRSLGLOBAB-GUBZILKMSA-N 1 3 170.300 1.312 20 0 ADADHO CC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307617574 346150095 /nfs/dbraw/zinc/15/00/95/346150095.db2.gz WPZGZRSLGLOBAB-GUBZILKMSA-N 1 3 170.300 1.312 20 0 ADADHO CC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307617574 346150098 /nfs/dbraw/zinc/15/00/98/346150098.db2.gz WPZGZRSLGLOBAB-GUBZILKMSA-N 1 3 170.300 1.312 20 0 ADADHO CC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307617572 346150171 /nfs/dbraw/zinc/15/01/71/346150171.db2.gz WPZGZRSLGLOBAB-AEJSXWLSSA-N 1 3 170.300 1.312 20 0 ADADHO CC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307617572 346150173 /nfs/dbraw/zinc/15/01/73/346150173.db2.gz WPZGZRSLGLOBAB-AEJSXWLSSA-N 1 3 170.300 1.312 20 0 ADADHO CCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307617572 346150176 /nfs/dbraw/zinc/15/01/76/346150176.db2.gz WPZGZRSLGLOBAB-AEJSXWLSSA-N 1 3 170.300 1.312 20 0 ADADHO CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 307617573 346150253 /nfs/dbraw/zinc/15/02/53/346150253.db2.gz WPZGZRSLGLOBAB-BBBLOLIVSA-N 1 3 170.300 1.312 20 0 ADADHO CC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 307617573 346150255 /nfs/dbraw/zinc/15/02/55/346150255.db2.gz WPZGZRSLGLOBAB-BBBLOLIVSA-N 1 3 170.300 1.312 20 0 ADADHO CCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 307617573 346150258 /nfs/dbraw/zinc/15/02/58/346150258.db2.gz WPZGZRSLGLOBAB-BBBLOLIVSA-N 1 3 170.300 1.312 20 0 ADADHO CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 307617575 346150294 /nfs/dbraw/zinc/15/02/94/346150294.db2.gz WPZGZRSLGLOBAB-UTLUCORTSA-N 1 3 170.300 1.312 20 0 ADADHO CC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 307617575 346150296 /nfs/dbraw/zinc/15/02/96/346150296.db2.gz WPZGZRSLGLOBAB-UTLUCORTSA-N 1 3 170.300 1.312 20 0 ADADHO CCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 307617575 346150299 /nfs/dbraw/zinc/15/02/99/346150299.db2.gz WPZGZRSLGLOBAB-UTLUCORTSA-N 1 3 170.300 1.312 20 0 ADADHO CC[C@H](C)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 307621103 346152424 /nfs/dbraw/zinc/15/24/24/346152424.db2.gz JPQUVZKTJUCIQC-GARJFASQSA-N 1 3 182.311 1.326 20 0 ADADHO CC[C@H](C)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 307621103 346152426 /nfs/dbraw/zinc/15/24/26/346152426.db2.gz JPQUVZKTJUCIQC-GARJFASQSA-N 1 3 182.311 1.326 20 0 ADADHO CC(C)[N@H+]1CCC[C@@H]1C[C@@H](C)N 307630173 346158045 /nfs/dbraw/zinc/15/80/45/346158045.db2.gz YHVBMWHBTZBDBB-NXEZZACHSA-N 1 3 170.300 1.597 20 0 ADADHO CC(C)[N@@H+]1CCC[C@@H]1C[C@@H](C)N 307630173 346158048 /nfs/dbraw/zinc/15/80/48/346158048.db2.gz YHVBMWHBTZBDBB-NXEZZACHSA-N 1 3 170.300 1.597 20 0 ADADHO CC(C)[N@H+]1CCC[C@H]1C[C@@H](C)N 307630504 346158085 /nfs/dbraw/zinc/15/80/85/346158085.db2.gz YHVBMWHBTZBDBB-ZJUUUORDSA-N 1 3 170.300 1.597 20 0 ADADHO CC(C)[N@@H+]1CCC[C@H]1C[C@@H](C)N 307630504 346158091 /nfs/dbraw/zinc/15/80/91/346158091.db2.gz YHVBMWHBTZBDBB-ZJUUUORDSA-N 1 3 170.300 1.597 20 0 ADADHO CC(C)[N@H+]1CCC[C@@H]1C[C@H](C)N 307630175 346158240 /nfs/dbraw/zinc/15/82/40/346158240.db2.gz YHVBMWHBTZBDBB-VHSXEESVSA-N 1 3 170.300 1.597 20 0 ADADHO CC(C)[N@@H+]1CCC[C@@H]1C[C@H](C)N 307630175 346158243 /nfs/dbraw/zinc/15/82/43/346158243.db2.gz YHVBMWHBTZBDBB-VHSXEESVSA-N 1 3 170.300 1.597 20 0 ADADHO CC(C)[N@H+]1CCC[C@H]1C[C@H](C)N 307630174 346158317 /nfs/dbraw/zinc/15/83/17/346158317.db2.gz YHVBMWHBTZBDBB-UWVGGRQHSA-N 1 3 170.300 1.597 20 0 ADADHO CC(C)[N@@H+]1CCC[C@H]1C[C@H](C)N 307630174 346158320 /nfs/dbraw/zinc/15/83/20/346158320.db2.gz YHVBMWHBTZBDBB-UWVGGRQHSA-N 1 3 170.300 1.597 20 0 ADADHO CC1([NH3+])CCN(CC2CCC2)CC1 307691081 346186261 /nfs/dbraw/zinc/18/62/61/346186261.db2.gz PJTURFQQHUJNEC-UHFFFAOYSA-N 1 3 182.311 1.600 20 0 ADADHO CCCCN1CC[C@H]2C[NH2+]C[C@H]2C1 307692581 346187043 /nfs/dbraw/zinc/18/70/43/346187043.db2.gz SOPATRYSXFGMKN-QWRGUYRKSA-N 1 3 182.311 1.328 20 0 ADADHO CCCCN1CC[C@H]2C[NH2+]C[C@@H]2C1 307692582 346187214 /nfs/dbraw/zinc/18/72/14/346187214.db2.gz SOPATRYSXFGMKN-WDEREUQCSA-N 1 3 182.311 1.328 20 0 ADADHO CCCCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 307692579 346187235 /nfs/dbraw/zinc/18/72/35/346187235.db2.gz SOPATRYSXFGMKN-GHMZBOCLSA-N 1 3 182.311 1.328 20 0 ADADHO CCCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 307692580 346187276 /nfs/dbraw/zinc/18/72/76/346187276.db2.gz SOPATRYSXFGMKN-MNOVXSKESA-N 1 3 182.311 1.328 20 0 ADADHO CCC[N@@H+]1CCC[C@H](N(C)C)CC1 307699896 346191572 /nfs/dbraw/zinc/19/15/72/346191572.db2.gz PIBABXYSKXOWDS-NSHDSACASA-N 1 3 184.327 1.813 20 0 ADADHO CCC[N@H+]1CCC[C@H](N(C)C)CC1 307699896 346191574 /nfs/dbraw/zinc/19/15/74/346191574.db2.gz PIBABXYSKXOWDS-NSHDSACASA-N 1 3 184.327 1.813 20 0 ADADHO CCCN1CCC[C@H]([NH+](C)C)CC1 307699896 346191577 /nfs/dbraw/zinc/19/15/77/346191577.db2.gz PIBABXYSKXOWDS-NSHDSACASA-N 1 3 184.327 1.813 20 0 ADADHO CCC[N@@H+]1CCC[C@@H](N(C)C)CC1 307699895 346191663 /nfs/dbraw/zinc/19/16/63/346191663.db2.gz PIBABXYSKXOWDS-LLVKDONJSA-N 1 3 184.327 1.813 20 0 ADADHO CCC[N@H+]1CCC[C@@H](N(C)C)CC1 307699895 346191664 /nfs/dbraw/zinc/19/16/64/346191664.db2.gz PIBABXYSKXOWDS-LLVKDONJSA-N 1 3 184.327 1.813 20 0 ADADHO CCCN1CCC[C@@H]([NH+](C)C)CC1 307699895 346191666 /nfs/dbraw/zinc/19/16/66/346191666.db2.gz PIBABXYSKXOWDS-LLVKDONJSA-N 1 3 184.327 1.813 20 0 ADADHO CC[C@H]1CCC[C@H]1[NH2+]C1CCNCC1 307725048 346204608 /nfs/dbraw/zinc/20/46/08/346204608.db2.gz BKLNDPZARDDXTF-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 307725122 346204725 /nfs/dbraw/zinc/20/47/25/346204725.db2.gz BKLNDPZARDDXTF-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 307725123 346204782 /nfs/dbraw/zinc/20/47/82/346204782.db2.gz BKLNDPZARDDXTF-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CCC1(C)C 308066798 346253425 /nfs/dbraw/zinc/25/34/25/346253425.db2.gz ZAOJCLAKDJUGHQ-IUCAKERBSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CCC1(C)C 308066797 346253627 /nfs/dbraw/zinc/25/36/27/346253627.db2.gz ZAOJCLAKDJUGHQ-DTWKUNHWSA-N 1 3 170.300 1.502 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+]CC[C@H](C)N 319012538 346322353 /nfs/dbraw/zinc/32/23/53/346322353.db2.gz POKTWZHALLPYPF-LPEHRKFASA-N 1 3 172.316 1.748 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+]CC[C@H](C)N 319012536 346322459 /nfs/dbraw/zinc/32/24/59/346322459.db2.gz POKTWZHALLPYPF-GUBZILKMSA-N 1 3 172.316 1.748 20 0 ADADHO CC(C)[C@@H](C)[NH2+]CC[C@H](C)N 319563683 346322552 /nfs/dbraw/zinc/32/25/52/346322552.db2.gz QDKZFXPMMWDHLE-DTWKUNHWSA-N 1 3 158.289 1.358 20 0 ADADHO CC(C)[C@H](C)[NH2+]CC[C@H](C)N 319563686 346322959 /nfs/dbraw/zinc/32/29/59/346322959.db2.gz QDKZFXPMMWDHLE-IUCAKERBSA-N 1 3 158.289 1.358 20 0 ADADHO C[C@H]1CCCC[N@H+](CCCN)C1 334833896 346366440 /nfs/dbraw/zinc/36/64/40/346366440.db2.gz VRCYPEGZPXCAAA-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO C[C@H]1CCCC[N@@H+](CCCN)C1 334833896 346366443 /nfs/dbraw/zinc/36/64/43/346366443.db2.gz VRCYPEGZPXCAAA-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO CC1CCC(N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 334846450 346367065 /nfs/dbraw/zinc/36/70/65/346367065.db2.gz IAGUGYHFCWUHBH-UIXRGBAFSA-N 1 3 194.322 1.373 20 0 ADADHO CC1([NH2+]CC2CC2)CCNCC1 334842668 346367446 /nfs/dbraw/zinc/36/74/46/346367446.db2.gz MYSYNOIDVGIYSA-UHFFFAOYSA-N 1 3 168.284 1.128 20 0 ADADHO CC1CC([NH2+][C@H](C)[C@H]2CCCNC2)C1 334875928 346367894 /nfs/dbraw/zinc/36/78/94/346367894.db2.gz ZVHXRHAQIXKHNX-UPOSSJBDSA-N 1 3 196.338 1.763 20 0 ADADHO CC1CC([NH2+][C@@H](C)[C@H]2CCCNC2)C1 334875929 346367958 /nfs/dbraw/zinc/36/79/58/346367958.db2.gz ZVHXRHAQIXKHNX-YECOWLKZSA-N 1 3 196.338 1.763 20 0 ADADHO CC1CC([NH2+][C@H]2CCN[C@@H](C)C2)C1 334870970 346368029 /nfs/dbraw/zinc/36/80/29/346368029.db2.gz VWQVVMPLMLMAMN-SEQHWMEXSA-N 1 3 182.311 1.515 20 0 ADADHO CC1CC(N[C@H]2CC[NH2+][C@@H](C)C2)C1 334870970 346368031 /nfs/dbraw/zinc/36/80/31/346368031.db2.gz VWQVVMPLMLMAMN-SEQHWMEXSA-N 1 3 182.311 1.515 20 0 ADADHO CC1CC([NH2+][C@@H]2CCN[C@@H](C)C2)C1 334870969 346368051 /nfs/dbraw/zinc/36/80/51/346368051.db2.gz VWQVVMPLMLMAMN-LIZLNQBYSA-N 1 3 182.311 1.515 20 0 ADADHO CC1CC(N[C@@H]2CC[NH2+][C@@H](C)C2)C1 334870969 346368055 /nfs/dbraw/zinc/36/80/55/346368055.db2.gz VWQVVMPLMLMAMN-LIZLNQBYSA-N 1 3 182.311 1.515 20 0 ADADHO CC1(C)NCC[C@@H]1[NH2+]CC1CC1 334874458 346368308 /nfs/dbraw/zinc/36/83/08/346368308.db2.gz NDZPNYCVXOZETD-VIFPVBQESA-N 1 3 168.284 1.127 20 0 ADADHO CC1CC([NH2+][C@H]2CCN[C@H](C)C2)C1 334870971 346368335 /nfs/dbraw/zinc/36/83/35/346368335.db2.gz VWQVVMPLMLMAMN-WIFZPCQCSA-N 1 3 182.311 1.515 20 0 ADADHO CC1CC(N[C@H]2CC[NH2+][C@H](C)C2)C1 334870971 346368336 /nfs/dbraw/zinc/36/83/36/346368336.db2.gz VWQVVMPLMLMAMN-WIFZPCQCSA-N 1 3 182.311 1.515 20 0 ADADHO CC1CC([NH2+][C@@H]2CCN[C@H](C)C2)C1 334870972 346368399 /nfs/dbraw/zinc/36/83/99/346368399.db2.gz VWQVVMPLMLMAMN-WYNUPADASA-N 1 3 182.311 1.515 20 0 ADADHO CC1CC(N[C@@H]2CC[NH2+][C@H](C)C2)C1 334870972 346368402 /nfs/dbraw/zinc/36/84/02/346368402.db2.gz VWQVVMPLMLMAMN-WYNUPADASA-N 1 3 182.311 1.515 20 0 ADADHO CC1(C)NCC[C@H]1[NH2+]CC1CC1 334874457 346368413 /nfs/dbraw/zinc/36/84/13/346368413.db2.gz NDZPNYCVXOZETD-SECBINFHSA-N 1 3 168.284 1.127 20 0 ADADHO CC1CC([NH2+][C@@H](C)[C@@H]2CCCNC2)C1 334875927 346368479 /nfs/dbraw/zinc/36/84/79/346368479.db2.gz ZVHXRHAQIXKHNX-LVFLEHKBSA-N 1 3 196.338 1.763 20 0 ADADHO CCC1CC([NH2+][C@@H]2CCNC[C@H]2C)C1 335005267 346373382 /nfs/dbraw/zinc/37/33/82/346373382.db2.gz FGVVHXAEFQPWDL-HBIQZDMRSA-N 1 3 196.338 1.763 20 0 ADADHO CCC1CC([NH2+][C@H]2CCNC[C@@H]2C)C1 335005271 346373528 /nfs/dbraw/zinc/37/35/28/346373528.db2.gz FGVVHXAEFQPWDL-XKGSQUFQSA-N 1 3 196.338 1.763 20 0 ADADHO CCC1CC([NH2+][C@@H]2CCNC[C@@H]2C)C1 335005269 346373614 /nfs/dbraw/zinc/37/36/14/346373614.db2.gz FGVVHXAEFQPWDL-WNYYMSAVSA-N 1 3 196.338 1.763 20 0 ADADHO CCC1CC([NH2+][C@H]2CCNC[C@H]2C)C1 335005272 346373883 /nfs/dbraw/zinc/37/38/83/346373883.db2.gz FGVVHXAEFQPWDL-YYJSSNLHSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCC1(C)C)C1CNC1 335017873 346374439 /nfs/dbraw/zinc/37/44/39/346374439.db2.gz PAAKYATYJWRMGF-WCBMZHEXSA-N 1 3 182.311 1.373 20 0 ADADHO CCC1(NC2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1 335012709 346374625 /nfs/dbraw/zinc/37/46/25/346374625.db2.gz ROATUMJQVLZJTM-ZACCUICWSA-N 1 3 194.322 1.802 20 0 ADADHO C[C@H]([NH2+][C@H]1CCC1(C)C)C1CNC1 335017874 346374854 /nfs/dbraw/zinc/37/48/54/346374854.db2.gz PAAKYATYJWRMGF-WPRPVWTQSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCCC1(C)C)C1CNC1 335028946 346375070 /nfs/dbraw/zinc/37/50/70/346375070.db2.gz KDYRHFXIAYSEMZ-GXSJLCMTSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CC[NH2+]C[C@@H]1NCC1(C)CC1 335030415 346375141 /nfs/dbraw/zinc/37/51/41/346375141.db2.gz CSAPIAWKCMPTRI-UWVGGRQHSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H]1CC[NH2+]C[C@H]1NCC1(C)CC1 335030429 346375240 /nfs/dbraw/zinc/37/52/40/346375240.db2.gz CSAPIAWKCMPTRI-VHSXEESVSA-N 1 3 182.311 1.374 20 0 ADADHO CCC[NH2+][C@@H]1CCNCC[C@H]1C 335037711 346375289 /nfs/dbraw/zinc/37/52/89/346375289.db2.gz FCAMKQXXLKAEBQ-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCCC1 335037289 346375304 /nfs/dbraw/zinc/37/53/04/346375304.db2.gz CAJZMCNMCTXEML-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(C)CC1 335032493 346375395 /nfs/dbraw/zinc/37/53/95/346375395.db2.gz LOBFBBDLEQDPAE-WDEREUQCSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(C)CC1 335032491 346375403 /nfs/dbraw/zinc/37/54/03/346375403.db2.gz LOBFBBDLEQDPAE-QWRGUYRKSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]([NH2+]C1CCCCC1)C1CNC1 335026353 346375419 /nfs/dbraw/zinc/37/54/19/346375419.db2.gz ZJRATETVSOLFKU-VIFPVBQESA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCCC1 335037291 346375512 /nfs/dbraw/zinc/37/55/12/346375512.db2.gz CAJZMCNMCTXEML-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+][C@H]1CCCC1(C)C)C1CNC1 335028952 346375556 /nfs/dbraw/zinc/37/55/56/346375556.db2.gz KDYRHFXIAYSEMZ-ONGXEEELSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCC1 335035258 346375580 /nfs/dbraw/zinc/37/55/80/346375580.db2.gz TUMCMVUQLFKGEI-CMPLNLGQSA-N 1 3 196.338 1.764 20 0 ADADHO CCC[NH2+][C@@H]1CCNCC[C@@H]1C 335037713 346375592 /nfs/dbraw/zinc/37/55/92/346375592.db2.gz FCAMKQXXLKAEBQ-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCC1 335035259 346375662 /nfs/dbraw/zinc/37/56/62/346375662.db2.gz TUMCMVUQLFKGEI-JQWIXIFHSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCC1 335043081 346376018 /nfs/dbraw/zinc/37/60/18/346376018.db2.gz MRRDWHYJRQMFTQ-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCC1 335043080 346376098 /nfs/dbraw/zinc/37/60/98/346376098.db2.gz MRHNOYMOYIWVNB-WPRPVWTQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CC1 335042636 346376151 /nfs/dbraw/zinc/37/61/51/346376151.db2.gz UCLCRPZDNJHVCU-WCBMZHEXSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1CC[NH2+]CC[C@H]1NC1CC1 335042636 346376155 /nfs/dbraw/zinc/37/61/55/346376155.db2.gz UCLCRPZDNJHVCU-WCBMZHEXSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCC1 335043084 346376192 /nfs/dbraw/zinc/37/61/92/346376192.db2.gz MRRDWHYJRQMFTQ-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCC1 335043079 346376432 /nfs/dbraw/zinc/37/64/32/346376432.db2.gz MRHNOYMOYIWVNB-WCBMZHEXSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CC1 335042641 346376450 /nfs/dbraw/zinc/37/64/50/346376450.db2.gz UCLCRPZDNJHVCU-WPRPVWTQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1CC[NH2+]CC[C@@H]1NC1CC1 335042641 346376452 /nfs/dbraw/zinc/37/64/52/346376452.db2.gz UCLCRPZDNJHVCU-WPRPVWTQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]([NH2+]C1CCCCCC1)C1CNC1 335042680 346376556 /nfs/dbraw/zinc/37/65/56/346376556.db2.gz UIHQTZKYYDHLHK-JTQLQIEISA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1C[C@H]1C[NH2+]C1(C)CCNCC1 335173554 346381912 /nfs/dbraw/zinc/38/19/12/346381912.db2.gz RXYVAMODCZFHDZ-UWVGGRQHSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H]1C[C@@H]1C[NH2+]C1(C)CCNCC1 335173555 346382330 /nfs/dbraw/zinc/38/23/30/346382330.db2.gz RXYVAMODCZFHDZ-VHSXEESVSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H]1CCC[C@@H](C)[N@H+](CCCN)C1 335257365 346384641 /nfs/dbraw/zinc/38/46/41/346384641.db2.gz OYGHLBRVRXTUCD-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO C[C@H]1CCC[C@@H](C)[N@@H+](CCCN)C1 335257365 346384643 /nfs/dbraw/zinc/38/46/43/346384643.db2.gz OYGHLBRVRXTUCD-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO C[C@H]1CCC[C@@H](C)C[N@H+]1CCCN 335257361 346385087 /nfs/dbraw/zinc/38/50/87/346385087.db2.gz OYGHLBRVRXTUCD-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO C[C@H]1CCC[C@@H](C)C[N@@H+]1CCCN 335257361 346385090 /nfs/dbraw/zinc/38/50/90/346385090.db2.gz OYGHLBRVRXTUCD-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 335306561 346388106 /nfs/dbraw/zinc/38/81/06/346388106.db2.gz FXJVPNQBJJQRPN-NWDGAFQWSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 335306561 346388108 /nfs/dbraw/zinc/38/81/08/346388108.db2.gz FXJVPNQBJJQRPN-NWDGAFQWSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 335306561 346388110 /nfs/dbraw/zinc/38/81/10/346388110.db2.gz FXJVPNQBJJQRPN-NWDGAFQWSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 335306561 346388111 /nfs/dbraw/zinc/38/81/11/346388111.db2.gz FXJVPNQBJJQRPN-NWDGAFQWSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 335306563 346388243 /nfs/dbraw/zinc/38/82/43/346388243.db2.gz FXJVPNQBJJQRPN-VXGBXAGGSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 335306563 346388245 /nfs/dbraw/zinc/38/82/45/346388245.db2.gz FXJVPNQBJJQRPN-VXGBXAGGSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 335306563 346388246 /nfs/dbraw/zinc/38/82/46/346388246.db2.gz FXJVPNQBJJQRPN-VXGBXAGGSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 335306562 346388389 /nfs/dbraw/zinc/38/83/89/346388389.db2.gz FXJVPNQBJJQRPN-RYUDHWBXSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 335306562 346388391 /nfs/dbraw/zinc/38/83/91/346388391.db2.gz FXJVPNQBJJQRPN-RYUDHWBXSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 335306562 346388394 /nfs/dbraw/zinc/38/83/94/346388394.db2.gz FXJVPNQBJJQRPN-RYUDHWBXSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 335306562 346388397 /nfs/dbraw/zinc/38/83/97/346388397.db2.gz FXJVPNQBJJQRPN-RYUDHWBXSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 335306560 346388540 /nfs/dbraw/zinc/38/85/40/346388540.db2.gz FXJVPNQBJJQRPN-NEPJUHHUSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 335306560 346388544 /nfs/dbraw/zinc/38/85/44/346388544.db2.gz FXJVPNQBJJQRPN-NEPJUHHUSA-N 1 3 196.338 1.811 20 0 ADADHO CC(C)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 335306560 346388546 /nfs/dbraw/zinc/38/85/46/346388546.db2.gz FXJVPNQBJJQRPN-NEPJUHHUSA-N 1 3 196.338 1.811 20 0 ADADHO CC[C@H]1CC[C@@H]1[NH2+]C1CCNCC1 335450825 346398219 /nfs/dbraw/zinc/39/82/19/346398219.db2.gz BXRSPILFMFMUDT-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+]C1CCNCC1 335450823 346398421 /nfs/dbraw/zinc/39/84/21/346398421.db2.gz BXRSPILFMFMUDT-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]1CC[C@H]1[NH2+]C1CCNCC1 335450824 346398583 /nfs/dbraw/zinc/39/85/83/346398583.db2.gz BXRSPILFMFMUDT-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO CCC1CC([NH2+]C2CCNCC2)C1 335454008 346398798 /nfs/dbraw/zinc/39/87/98/346398798.db2.gz ZOZZAPFIFQJGIE-UHFFFAOYSA-N 1 3 182.311 1.517 20 0 ADADHO CCC1CC(NC2CC[NH2+]CC2)C1 335454008 346398802 /nfs/dbraw/zinc/39/88/02/346398802.db2.gz ZOZZAPFIFQJGIE-UHFFFAOYSA-N 1 3 182.311 1.517 20 0 ADADHO CCC1CC([NH2+][C@@H]2CCN[C@H](C)C2)C1 335484958 346400584 /nfs/dbraw/zinc/40/05/84/346400584.db2.gz YOQBLCOQVYKXPK-QTAHKJALSA-N 1 3 196.338 1.905 20 0 ADADHO CCC1CC(N[C@@H]2CC[NH2+][C@H](C)C2)C1 335484958 346400585 /nfs/dbraw/zinc/40/05/85/346400585.db2.gz YOQBLCOQVYKXPK-QTAHKJALSA-N 1 3 196.338 1.905 20 0 ADADHO CCC1CC([NH2+][C@H]2CCN[C@H](C)C2)C1 335484961 346400835 /nfs/dbraw/zinc/40/08/35/346400835.db2.gz YOQBLCOQVYKXPK-ZYGVAYEYSA-N 1 3 196.338 1.905 20 0 ADADHO CCC1CC(N[C@H]2CC[NH2+][C@H](C)C2)C1 335484961 346400836 /nfs/dbraw/zinc/40/08/36/346400836.db2.gz YOQBLCOQVYKXPK-ZYGVAYEYSA-N 1 3 196.338 1.905 20 0 ADADHO CCC1CC([NH2+][C@@H]2CCN[C@@H](C)C2)C1 335484959 346400954 /nfs/dbraw/zinc/40/09/54/346400954.db2.gz YOQBLCOQVYKXPK-UZEXVOJHSA-N 1 3 196.338 1.905 20 0 ADADHO CCC1CC(N[C@@H]2CC[NH2+][C@@H](C)C2)C1 335484959 346400957 /nfs/dbraw/zinc/40/09/57/346400957.db2.gz YOQBLCOQVYKXPK-UZEXVOJHSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CC1 335488884 346401000 /nfs/dbraw/zinc/40/10/00/346401000.db2.gz RFRYNHLHUGSVRP-GXSJLCMTSA-N 1 3 182.311 1.374 20 0 ADADHO CCC1CC([NH2+][C@H]2CCN[C@@H](C)C2)C1 335484960 346401099 /nfs/dbraw/zinc/40/10/99/346401099.db2.gz YOQBLCOQVYKXPK-VOBJUBJWSA-N 1 3 196.338 1.905 20 0 ADADHO CCC1CC(N[C@H]2CC[NH2+][C@@H](C)C2)C1 335484960 346401103 /nfs/dbraw/zinc/40/11/03/346401103.db2.gz YOQBLCOQVYKXPK-VOBJUBJWSA-N 1 3 196.338 1.905 20 0 ADADHO CCC1CC(N[C@@H]2C[NH2+]CC[C@H]2C)C1 335515743 346402303 /nfs/dbraw/zinc/40/23/03/346402303.db2.gz QMOSKKHYNKXHAH-HBIQZDMRSA-N 1 3 196.338 1.763 20 0 ADADHO CCC1CC(N[C@@H]2CCC[NH2+][C@@H]2C)C1 335539336 346404077 /nfs/dbraw/zinc/40/40/77/346404077.db2.gz VMXXVIOBFQNORE-HBIQZDMRSA-N 1 3 196.338 1.905 20 0 ADADHO CCC1CC(N[C@@H]2CCC[NH2+][C@H]2C)C1 335539337 346404092 /nfs/dbraw/zinc/40/40/92/346404092.db2.gz VMXXVIOBFQNORE-WNYYMSAVSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]1CCC[C@@H](C)[C@@H]1[NH2+]CC1CNC1 335551959 346404620 /nfs/dbraw/zinc/40/46/20/346404620.db2.gz MHEKJJIMAMDJME-IAZYJMLFSA-N 1 3 196.338 1.620 20 0 ADADHO CC1(C)CCCC[C@@H]1[NH2+]CC1CNC1 335553482 346404659 /nfs/dbraw/zinc/40/46/59/346404659.db2.gz XNZLRVLSHSWESH-NSHDSACASA-N 1 3 196.338 1.764 20 0 ADADHO CC1(C)CCCC[C@H]1[NH2+]CC1CNC1 335553481 346404662 /nfs/dbraw/zinc/40/46/62/346404662.db2.gz XNZLRVLSHSWESH-LLVKDONJSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]1CCC[C@H](C)C1[NH2+]CC1CNC1 335551961 346404664 /nfs/dbraw/zinc/40/46/64/346404664.db2.gz MHEKJJIMAMDJME-UWVGGRQHSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]1C[C@H]([NH2+]CC2CC2)CCN1 335640609 346410551 /nfs/dbraw/zinc/41/05/51/346410551.db2.gz OKIIIDZHPNAMDH-WCBMZHEXSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1C[C@@H]([NH2+]CC2CC2)CCN1 335640610 346410686 /nfs/dbraw/zinc/41/06/86/346410686.db2.gz OKIIIDZHPNAMDH-WPRPVWTQSA-N 1 3 168.284 1.127 20 0 ADADHO CC1CC(NC2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 335653896 346411144 /nfs/dbraw/zinc/41/11/44/346411144.db2.gz GHZMIQGNOFGDJJ-KTMJHZKESA-N 1 3 194.322 1.658 20 0 ADADHO CC1(CNC2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1 335654558 346411682 /nfs/dbraw/zinc/41/16/82/346411682.db2.gz PDWIWXXOFIKKFR-ZACCUICWSA-N 1 3 194.322 1.659 20 0 ADADHO Cc1c[nH+]ccc1N1CC(N(C)C)C1 336110443 346438749 /nfs/dbraw/zinc/43/87/49/346438749.db2.gz SROKGIBXSUNBLD-UHFFFAOYSA-N 1 3 191.278 1.140 20 0 ADADHO CN(C)[C@@H]1CCC[N@H+](CC2CC2)CC1 336121735 346439530 /nfs/dbraw/zinc/43/95/30/346439530.db2.gz YUKOXMSOJXWCAK-GFCCVEGCSA-N 1 3 196.338 1.813 20 0 ADADHO CN(C)[C@@H]1CCC[N@@H+](CC2CC2)CC1 336121735 346439532 /nfs/dbraw/zinc/43/95/32/346439532.db2.gz YUKOXMSOJXWCAK-GFCCVEGCSA-N 1 3 196.338 1.813 20 0 ADADHO C[NH+](C)[C@@H]1CCCN(CC2CC2)CC1 336121735 346439534 /nfs/dbraw/zinc/43/95/34/346439534.db2.gz YUKOXMSOJXWCAK-GFCCVEGCSA-N 1 3 196.338 1.813 20 0 ADADHO CN(C)[C@H]1CCC[N@H+](CC2CC2)CC1 336121736 346439905 /nfs/dbraw/zinc/43/99/05/346439905.db2.gz YUKOXMSOJXWCAK-LBPRGKRZSA-N 1 3 196.338 1.813 20 0 ADADHO CN(C)[C@H]1CCC[N@@H+](CC2CC2)CC1 336121736 346439908 /nfs/dbraw/zinc/43/99/08/346439908.db2.gz YUKOXMSOJXWCAK-LBPRGKRZSA-N 1 3 196.338 1.813 20 0 ADADHO C[NH+](C)[C@H]1CCCN(CC2CC2)CC1 336121736 346439912 /nfs/dbraw/zinc/43/99/12/346439912.db2.gz YUKOXMSOJXWCAK-LBPRGKRZSA-N 1 3 196.338 1.813 20 0 ADADHO CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 336345785 346455978 /nfs/dbraw/zinc/45/59/78/346455978.db2.gz NHSQGXYIVKHBAR-VXGBXAGGSA-N 1 3 196.338 1.813 20 0 ADADHO CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 336345785 346455981 /nfs/dbraw/zinc/45/59/81/346455981.db2.gz NHSQGXYIVKHBAR-VXGBXAGGSA-N 1 3 196.338 1.813 20 0 ADADHO CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 336345785 346455984 /nfs/dbraw/zinc/45/59/84/346455984.db2.gz NHSQGXYIVKHBAR-VXGBXAGGSA-N 1 3 196.338 1.813 20 0 ADADHO CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 336345784 346456061 /nfs/dbraw/zinc/45/60/61/346456061.db2.gz NHSQGXYIVKHBAR-RYUDHWBXSA-N 1 3 196.338 1.813 20 0 ADADHO CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 336345784 346456064 /nfs/dbraw/zinc/45/60/64/346456064.db2.gz NHSQGXYIVKHBAR-RYUDHWBXSA-N 1 3 196.338 1.813 20 0 ADADHO CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 336345784 346456066 /nfs/dbraw/zinc/45/60/66/346456066.db2.gz NHSQGXYIVKHBAR-RYUDHWBXSA-N 1 3 196.338 1.813 20 0 ADADHO CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 336345783 346456223 /nfs/dbraw/zinc/45/62/23/346456223.db2.gz NHSQGXYIVKHBAR-NWDGAFQWSA-N 1 3 196.338 1.813 20 0 ADADHO CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 336345783 346456224 /nfs/dbraw/zinc/45/62/24/346456224.db2.gz NHSQGXYIVKHBAR-NWDGAFQWSA-N 1 3 196.338 1.813 20 0 ADADHO CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 336345782 346456252 /nfs/dbraw/zinc/45/62/52/346456252.db2.gz NHSQGXYIVKHBAR-NEPJUHHUSA-N 1 3 196.338 1.813 20 0 ADADHO CCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 336345782 346456253 /nfs/dbraw/zinc/45/62/53/346456253.db2.gz NHSQGXYIVKHBAR-NEPJUHHUSA-N 1 3 196.338 1.813 20 0 ADADHO CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 336345782 346456254 /nfs/dbraw/zinc/45/62/54/346456254.db2.gz NHSQGXYIVKHBAR-NEPJUHHUSA-N 1 3 196.338 1.813 20 0 ADADHO CCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 336345782 346456255 /nfs/dbraw/zinc/45/62/55/346456255.db2.gz NHSQGXYIVKHBAR-NEPJUHHUSA-N 1 3 196.338 1.813 20 0 ADADHO Cc1cc(N2CC(N(C)C)C2)cc[nH+]1 336463559 346464640 /nfs/dbraw/zinc/46/46/40/346464640.db2.gz LNGZSGFFWSSFRR-UHFFFAOYSA-N 1 3 191.278 1.140 20 0 ADADHO CCCCCN1C[C@@H]([NH3+])C[C@@H]1C 385262945 346543507 /nfs/dbraw/zinc/54/35/07/346543507.db2.gz QQNNYNFHMPIIER-UWVGGRQHSA-N 1 3 170.300 1.598 20 0 ADADHO CC(C)C[C@H](C)[NH2+]CC[C@H](C)N 379327241 346498033 /nfs/dbraw/zinc/49/80/33/346498033.db2.gz JUHGFHYFPPABBV-UWVGGRQHSA-N 1 3 172.316 1.748 20 0 ADADHO CC(C)C[C@@H](C)[NH2+]CC[C@H](C)N 379327242 346498257 /nfs/dbraw/zinc/49/82/57/346498257.db2.gz JUHGFHYFPPABBV-VHSXEESVSA-N 1 3 172.316 1.748 20 0 ADADHO CC[C@H]([NH2+][C@@H]1CCNC1)C1CCCC1 382779763 346535805 /nfs/dbraw/zinc/53/58/05/346535805.db2.gz FTWOVAQHWABDMF-NEPJUHHUSA-N 1 3 196.338 1.907 20 0 ADADHO CCCCCN1C[C@H]([NH3+])C[C@@H]1C 385262946 346543267 /nfs/dbraw/zinc/54/32/67/346543267.db2.gz QQNNYNFHMPIIER-VHSXEESVSA-N 1 3 170.300 1.598 20 0 ADADHO CCCCCN1C[C@H]([NH3+])C[C@H]1C 385262944 346543605 /nfs/dbraw/zinc/54/36/05/346543605.db2.gz QQNNYNFHMPIIER-NXEZZACHSA-N 1 3 170.300 1.598 20 0 ADADHO CCCCCN1C[C@@H]([NH3+])C[C@H]1C 385262947 346543640 /nfs/dbraw/zinc/54/36/40/346543640.db2.gz QQNNYNFHMPIIER-ZJUUUORDSA-N 1 3 170.300 1.598 20 0 ADADHO Cc1cnccc1CNC[C@@H](C)C[NH3+] 393690448 346581038 /nfs/dbraw/zinc/58/10/38/346581038.db2.gz QHCKTDREINGXOF-VIFPVBQESA-N 1 3 193.294 1.074 20 0 ADADHO Cc1cnccc1CNC[C@H](C)C[NH3+] 393690447 346581289 /nfs/dbraw/zinc/58/12/89/346581289.db2.gz QHCKTDREINGXOF-SECBINFHSA-N 1 3 193.294 1.074 20 0 ADADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCNC1 398102294 346594460 /nfs/dbraw/zinc/59/44/60/346594460.db2.gz UELMJJQPBKUJCT-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H](C)CCC1CC1 398083453 346594520 /nfs/dbraw/zinc/59/45/20/346594520.db2.gz MYBLAIBLDDNGQO-UWVGGRQHSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCNC1 398102292 346594635 /nfs/dbraw/zinc/59/46/35/346594635.db2.gz UELMJJQPBKUJCT-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](N)CC[NH2+][C@H](C)CCC1CC1 398083454 346594781 /nfs/dbraw/zinc/59/47/81/346594781.db2.gz MYBLAIBLDDNGQO-VHSXEESVSA-N 1 3 184.327 1.892 20 0 ADADHO CSC[C@H]1CCC[N@@H+]1CCCN 399996501 346599389 /nfs/dbraw/zinc/59/93/89/346599389.db2.gz KGAGBVPWOUFYIK-SECBINFHSA-N 1 3 188.340 1.163 20 0 ADADHO CSC[C@H]1CCC[N@H+]1CCCN 399996501 346599393 /nfs/dbraw/zinc/59/93/93/346599393.db2.gz KGAGBVPWOUFYIK-SECBINFHSA-N 1 3 188.340 1.163 20 0 ADADHO CSC[C@@H]1CCC[N@@H+]1CCCN 399996503 346599995 /nfs/dbraw/zinc/59/99/95/346599995.db2.gz KGAGBVPWOUFYIK-VIFPVBQESA-N 1 3 188.340 1.163 20 0 ADADHO CSC[C@@H]1CCC[N@H+]1CCCN 399996503 346599998 /nfs/dbraw/zinc/59/99/98/346599998.db2.gz KGAGBVPWOUFYIK-VIFPVBQESA-N 1 3 188.340 1.163 20 0 ADADHO C[Si](C)(C)C[NH+]1CCC(N)CC1 401638112 346613917 /nfs/dbraw/zinc/61/39/17/346613917.db2.gz GKLBNSRMZNQIFH-UHFFFAOYSA-N 1 3 186.375 1.287 20 0 ADADHO C[Si](C)(C)CN1CCC([NH3+])CC1 401638112 346613919 /nfs/dbraw/zinc/61/39/19/346613919.db2.gz GKLBNSRMZNQIFH-UHFFFAOYSA-N 1 3 186.375 1.287 20 0 ADADHO CC1(C)C[C@@H]1N[C@H]1C[C@H]([NH3+])C1(C)C 405294553 346662726 /nfs/dbraw/zinc/66/27/26/346662726.db2.gz NICOMTBRNJZOHE-CIUDSAMLSA-N 1 3 182.311 1.500 20 0 ADADHO CC1(C)C[C@@H]1N[C@@H]1C[C@H]([NH3+])C1(C)C 405294558 346662912 /nfs/dbraw/zinc/66/29/12/346662912.db2.gz NICOMTBRNJZOHE-YIZRAAEISA-N 1 3 182.311 1.500 20 0 ADADHO CC1(C)C[C@@H]1N[C@H]1C[C@@H]([NH3+])C1(C)C 405294556 346663075 /nfs/dbraw/zinc/66/30/75/346663075.db2.gz NICOMTBRNJZOHE-VGMNWLOBSA-N 1 3 182.311 1.500 20 0 ADADHO CC1(C)C[C@@H]1N[C@@H]1C[C@@H]([NH3+])C1(C)C 405294555 346663086 /nfs/dbraw/zinc/66/30/86/346663086.db2.gz NICOMTBRNJZOHE-HLTSFMKQSA-N 1 3 182.311 1.500 20 0 ADADHO [NH3+]CCCN1CCC[C@@H](CF)C1 409425474 346683371 /nfs/dbraw/zinc/68/33/71/346683371.db2.gz GAQDTWWIDZCOLT-VIFPVBQESA-N 1 3 174.263 1.017 20 0 ADADHO [NH3+]CCCN1CCC[C@H](CF)C1 409425473 346683546 /nfs/dbraw/zinc/68/35/46/346683546.db2.gz GAQDTWWIDZCOLT-SECBINFHSA-N 1 3 174.263 1.017 20 0 ADADHO CC[C@H](C)N1C[C@@]2(C)C[NH2+]C[C@]2(C)C1 536956170 346712223 /nfs/dbraw/zinc/71/22/23/346712223.db2.gz XJEWSZKPMNGISZ-QJPTWQEYSA-N 1 3 196.338 1.716 20 0 ADADHO CC[C@H](C)N1C[C@]2(C)C[NH2+]C[C@@]2(C)C1 536956184 346712880 /nfs/dbraw/zinc/71/28/80/346712880.db2.gz XJEWSZKPMNGISZ-SRVKXCTJSA-N 1 3 196.338 1.716 20 0 ADADHO CC[C@H](C)N1C[C@]2(C)C[NH2+]C[C@]2(C)C1 536956183 346712976 /nfs/dbraw/zinc/71/29/76/346712976.db2.gz XJEWSZKPMNGISZ-SDDRHHMPSA-N 1 3 196.338 1.716 20 0 ADADHO CC[C@@H](C)N1C[C@]2(C)C[NH2+]C[C@]2(C)C1 536956186 346713024 /nfs/dbraw/zinc/71/30/24/346713024.db2.gz XJEWSZKPMNGISZ-UTUOFQBUSA-N 1 3 196.338 1.716 20 0 ADADHO CS[C@H](C)C[NH2+][C@@H](C)C[C@H](C)N 591568954 346817139 /nfs/dbraw/zinc/81/71/39/346817139.db2.gz KSRKBMWKJUWVEC-XHNCKOQMSA-N 1 3 190.356 1.453 20 0 ADADHO CS[C@H](C)CN[C@@H](C)C[C@H](C)[NH3+] 591568954 346817143 /nfs/dbraw/zinc/81/71/43/346817143.db2.gz KSRKBMWKJUWVEC-XHNCKOQMSA-N 1 3 190.356 1.453 20 0 ADADHO CS[C@H](C)C[NH2+][C@H](C)C[C@@H](C)N 591568953 346817201 /nfs/dbraw/zinc/81/72/01/346817201.db2.gz KSRKBMWKJUWVEC-IWSPIJDZSA-N 1 3 190.356 1.453 20 0 ADADHO CS[C@H](C)CN[C@H](C)C[C@@H](C)[NH3+] 591568953 346817205 /nfs/dbraw/zinc/81/72/05/346817205.db2.gz KSRKBMWKJUWVEC-IWSPIJDZSA-N 1 3 190.356 1.453 20 0 ADADHO CS[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)N 591568952 346817224 /nfs/dbraw/zinc/81/72/24/346817224.db2.gz KSRKBMWKJUWVEC-HRDYMLBCSA-N 1 3 190.356 1.453 20 0 ADADHO CS[C@H](C)CN[C@@H](C)C[C@@H](C)[NH3+] 591568952 346817228 /nfs/dbraw/zinc/81/72/28/346817228.db2.gz KSRKBMWKJUWVEC-HRDYMLBCSA-N 1 3 190.356 1.453 20 0 ADADHO CSCCN[C@H](C)C[C@@H](C)[NH3+] 591567794 346817283 /nfs/dbraw/zinc/81/72/83/346817283.db2.gz JBMQUVUIXLJSII-HTQZYQBOSA-N 1 3 176.329 1.065 20 0 ADADHO CSCCN[C@H](C)C[C@H](C)[NH3+] 591567795 346817426 /nfs/dbraw/zinc/81/74/26/346817426.db2.gz JBMQUVUIXLJSII-JGVFFNPUSA-N 1 3 176.329 1.065 20 0 ADADHO CSCCN[C@@H](C)C[C@H](C)[NH3+] 591567797 346817436 /nfs/dbraw/zinc/81/74/36/346817436.db2.gz JBMQUVUIXLJSII-YUMQZZPRSA-N 1 3 176.329 1.065 20 0 ADADHO CS[C@H](C)C[NH2+][C@H](C)C[C@H](C)N 591568951 346817523 /nfs/dbraw/zinc/81/75/23/346817523.db2.gz KSRKBMWKJUWVEC-DJLDLDEBSA-N 1 3 190.356 1.453 20 0 ADADHO CS[C@H](C)CN[C@H](C)C[C@H](C)[NH3+] 591568951 346817525 /nfs/dbraw/zinc/81/75/25/346817525.db2.gz KSRKBMWKJUWVEC-DJLDLDEBSA-N 1 3 190.356 1.453 20 0 ADADHO CSCCN[C@@H](C)C[C@@H](C)[NH3+] 591567796 346817584 /nfs/dbraw/zinc/81/75/84/346817584.db2.gz JBMQUVUIXLJSII-SFYZADRCSA-N 1 3 176.329 1.065 20 0 ADADHO CCSCC[N@@H+]1C[C@@H](N)C[C@H]1C 601329596 346922951 /nfs/dbraw/zinc/92/29/51/346922951.db2.gz KTLQKXSROJVKSX-BDAKNGLRSA-N 1 3 188.340 1.161 20 0 ADADHO CCSCC[N@H+]1C[C@@H](N)C[C@H]1C 601329596 346922954 /nfs/dbraw/zinc/92/29/54/346922954.db2.gz KTLQKXSROJVKSX-BDAKNGLRSA-N 1 3 188.340 1.161 20 0 ADADHO CCSCC[N@@H+]1C[C@H](N)C[C@@H]1C 601329597 346923047 /nfs/dbraw/zinc/92/30/47/346923047.db2.gz KTLQKXSROJVKSX-DTWKUNHWSA-N 1 3 188.340 1.161 20 0 ADADHO CCSCC[N@H+]1C[C@H](N)C[C@@H]1C 601329597 346923050 /nfs/dbraw/zinc/92/30/50/346923050.db2.gz KTLQKXSROJVKSX-DTWKUNHWSA-N 1 3 188.340 1.161 20 0 ADADHO CCSCC[N@@H+]1C[C@H](N)C[C@H]1C 601329599 346923341 /nfs/dbraw/zinc/92/33/41/346923341.db2.gz KTLQKXSROJVKSX-RKDXNWHRSA-N 1 3 188.340 1.161 20 0 ADADHO CCSCC[N@H+]1C[C@H](N)C[C@H]1C 601329599 346923345 /nfs/dbraw/zinc/92/33/45/346923345.db2.gz KTLQKXSROJVKSX-RKDXNWHRSA-N 1 3 188.340 1.161 20 0 ADADHO CCSCC[N@@H+]1C[C@@H](N)C[C@@H]1C 601329598 346923361 /nfs/dbraw/zinc/92/33/61/346923361.db2.gz KTLQKXSROJVKSX-IUCAKERBSA-N 1 3 188.340 1.161 20 0 ADADHO CCSCC[N@H+]1C[C@@H](N)C[C@@H]1C 601329598 346923364 /nfs/dbraw/zinc/92/33/64/346923364.db2.gz KTLQKXSROJVKSX-IUCAKERBSA-N 1 3 188.340 1.161 20 0 ADADHO CCN(C)C[C@H]1CC[N@H+](CC)C1 608577974 347012336 /nfs/dbraw/zinc/01/23/36/347012336.db2.gz KSGRXMZXGJYDKR-SNVBAGLBSA-N 1 3 170.300 1.280 20 0 ADADHO CCCN1CC[C@H](C[NH+](C)C)C1 603557287 346956451 /nfs/dbraw/zinc/95/64/51/346956451.db2.gz NQFCQLGLUVCBLS-SNVBAGLBSA-N 1 3 170.300 1.280 20 0 ADADHO CCCN1CC[C@@H](C[NH+](C)C)C1 603557286 346956811 /nfs/dbraw/zinc/95/68/11/346956811.db2.gz NQFCQLGLUVCBLS-JTQLQIEISA-N 1 3 170.300 1.280 20 0 ADADHO CCCN1CC[C@H](C[NH+]2CCCC2)C1 606901410 346986373 /nfs/dbraw/zinc/98/63/73/346986373.db2.gz KMSQXEFMKMMHQE-LBPRGKRZSA-N 1 3 196.338 1.814 20 0 ADADHO CCC[N@@H+]1CC[C@H](CN2CCCC2)C1 606901410 346986375 /nfs/dbraw/zinc/98/63/75/346986375.db2.gz KMSQXEFMKMMHQE-LBPRGKRZSA-N 1 3 196.338 1.814 20 0 ADADHO CCC[N@H+]1CC[C@H](CN2CCCC2)C1 606901410 346986379 /nfs/dbraw/zinc/98/63/79/346986379.db2.gz KMSQXEFMKMMHQE-LBPRGKRZSA-N 1 3 196.338 1.814 20 0 ADADHO CCCN1CC[C@@H](C[NH+]2CCCC2)C1 606901406 346986467 /nfs/dbraw/zinc/98/64/67/346986467.db2.gz KMSQXEFMKMMHQE-GFCCVEGCSA-N 1 3 196.338 1.814 20 0 ADADHO CCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 606901406 346986468 /nfs/dbraw/zinc/98/64/68/346986468.db2.gz KMSQXEFMKMMHQE-GFCCVEGCSA-N 1 3 196.338 1.814 20 0 ADADHO CCC[N@H+]1CC[C@@H](CN2CCCC2)C1 606901406 346986470 /nfs/dbraw/zinc/98/64/70/346986470.db2.gz KMSQXEFMKMMHQE-GFCCVEGCSA-N 1 3 196.338 1.814 20 0 ADADHO CCN(C)C[C@H]1CC[N@@H+](C(C)C)C1 608577928 347011154 /nfs/dbraw/zinc/01/11/54/347011154.db2.gz FFUPDBKGARNWRD-LLVKDONJSA-N 1 3 184.327 1.668 20 0 ADADHO CCN(C)C[C@H]1CC[N@H+](C(C)C)C1 608577928 347011155 /nfs/dbraw/zinc/01/11/55/347011155.db2.gz FFUPDBKGARNWRD-LLVKDONJSA-N 1 3 184.327 1.668 20 0 ADADHO CC[N@H+](C)C[C@H]1CCN(C(C)C)C1 608577928 347011158 /nfs/dbraw/zinc/01/11/58/347011158.db2.gz FFUPDBKGARNWRD-LLVKDONJSA-N 1 3 184.327 1.668 20 0 ADADHO CC[N@@H+](C)C[C@H]1CCN(C(C)C)C1 608577928 347011160 /nfs/dbraw/zinc/01/11/60/347011160.db2.gz FFUPDBKGARNWRD-LLVKDONJSA-N 1 3 184.327 1.668 20 0 ADADHO CCN(C)C[C@@H]1CC[N@H+](CC)C1 608577973 347011387 /nfs/dbraw/zinc/01/13/87/347011387.db2.gz KSGRXMZXGJYDKR-JTQLQIEISA-N 1 3 170.300 1.280 20 0 ADADHO CCN(C)C[C@@H]1CC[N@@H+](CC)C1 608577973 347011390 /nfs/dbraw/zinc/01/13/90/347011390.db2.gz KSGRXMZXGJYDKR-JTQLQIEISA-N 1 3 170.300 1.280 20 0 ADADHO CCN(C)C[C@H]1CC[N@H+](CC(C)C)C1 608577963 347011564 /nfs/dbraw/zinc/01/15/64/347011564.db2.gz RCIZBAFCFGBKBB-GFCCVEGCSA-N 1 3 198.354 1.916 20 0 ADADHO CCN(C)C[C@H]1CC[N@@H+](CC(C)C)C1 608577963 347011565 /nfs/dbraw/zinc/01/15/65/347011565.db2.gz RCIZBAFCFGBKBB-GFCCVEGCSA-N 1 3 198.354 1.916 20 0 ADADHO CC[N@H+](C)C[C@H]1CCN(CC(C)C)C1 608577963 347011567 /nfs/dbraw/zinc/01/15/67/347011567.db2.gz RCIZBAFCFGBKBB-GFCCVEGCSA-N 1 3 198.354 1.916 20 0 ADADHO CC[N@@H+](C)C[C@H]1CCN(CC(C)C)C1 608577963 347011569 /nfs/dbraw/zinc/01/15/69/347011569.db2.gz RCIZBAFCFGBKBB-GFCCVEGCSA-N 1 3 198.354 1.916 20 0 ADADHO CCN(C)C[C@@H]1CC[N@@H+](C(C)C)C1 608577929 347011646 /nfs/dbraw/zinc/01/16/46/347011646.db2.gz FFUPDBKGARNWRD-NSHDSACASA-N 1 3 184.327 1.668 20 0 ADADHO CCN(C)C[C@@H]1CC[N@H+](C(C)C)C1 608577929 347011647 /nfs/dbraw/zinc/01/16/47/347011647.db2.gz FFUPDBKGARNWRD-NSHDSACASA-N 1 3 184.327 1.668 20 0 ADADHO CC[N@H+](C)C[C@@H]1CCN(C(C)C)C1 608577929 347011649 /nfs/dbraw/zinc/01/16/49/347011649.db2.gz FFUPDBKGARNWRD-NSHDSACASA-N 1 3 184.327 1.668 20 0 ADADHO CC[N@@H+](C)C[C@@H]1CCN(C(C)C)C1 608577929 347011651 /nfs/dbraw/zinc/01/16/51/347011651.db2.gz FFUPDBKGARNWRD-NSHDSACASA-N 1 3 184.327 1.668 20 0 ADADHO CCN(C)C[C@@H]1CC[N@H+](CC(C)C)C1 608577964 347011771 /nfs/dbraw/zinc/01/17/71/347011771.db2.gz RCIZBAFCFGBKBB-LBPRGKRZSA-N 1 3 198.354 1.916 20 0 ADADHO CCN(C)C[C@@H]1CC[N@@H+](CC(C)C)C1 608577964 347011773 /nfs/dbraw/zinc/01/17/73/347011773.db2.gz RCIZBAFCFGBKBB-LBPRGKRZSA-N 1 3 198.354 1.916 20 0 ADADHO CC[N@H+](C)C[C@@H]1CCN(CC(C)C)C1 608577964 347011775 /nfs/dbraw/zinc/01/17/75/347011775.db2.gz RCIZBAFCFGBKBB-LBPRGKRZSA-N 1 3 198.354 1.916 20 0 ADADHO CC[N@@H+](C)C[C@@H]1CCN(CC(C)C)C1 608577964 347011777 /nfs/dbraw/zinc/01/17/77/347011777.db2.gz RCIZBAFCFGBKBB-LBPRGKRZSA-N 1 3 198.354 1.916 20 0 ADADHO CCN(C)C[C@H]1CC[N@@H+](CC)C1 608577974 347012338 /nfs/dbraw/zinc/01/23/38/347012338.db2.gz KSGRXMZXGJYDKR-SNVBAGLBSA-N 1 3 170.300 1.280 20 0 ADADHO CCC[N@@H+]1CC[C@H](CN(C)CC)C1 608577977 347012346 /nfs/dbraw/zinc/01/23/46/347012346.db2.gz OFOYAYKXYBUNPO-LLVKDONJSA-N 1 3 184.327 1.670 20 0 ADADHO CCC[N@H+]1CC[C@H](CN(C)CC)C1 608577977 347012347 /nfs/dbraw/zinc/01/23/47/347012347.db2.gz OFOYAYKXYBUNPO-LLVKDONJSA-N 1 3 184.327 1.670 20 0 ADADHO CCCN1CC[C@H](C[N@H+](C)CC)C1 608577977 347012348 /nfs/dbraw/zinc/01/23/48/347012348.db2.gz OFOYAYKXYBUNPO-LLVKDONJSA-N 1 3 184.327 1.670 20 0 ADADHO CCCN1CC[C@H](C[N@@H+](C)CC)C1 608577977 347012349 /nfs/dbraw/zinc/01/23/49/347012349.db2.gz OFOYAYKXYBUNPO-LLVKDONJSA-N 1 3 184.327 1.670 20 0 ADADHO CCC[N@@H+]1CC[C@@H](CN(C)CC)C1 608577978 347012435 /nfs/dbraw/zinc/01/24/35/347012435.db2.gz OFOYAYKXYBUNPO-NSHDSACASA-N 1 3 184.327 1.670 20 0 ADADHO CCC[N@H+]1CC[C@@H](CN(C)CC)C1 608577978 347012436 /nfs/dbraw/zinc/01/24/36/347012436.db2.gz OFOYAYKXYBUNPO-NSHDSACASA-N 1 3 184.327 1.670 20 0 ADADHO CCCN1CC[C@@H](C[N@H+](C)CC)C1 608577978 347012438 /nfs/dbraw/zinc/01/24/38/347012438.db2.gz OFOYAYKXYBUNPO-NSHDSACASA-N 1 3 184.327 1.670 20 0 ADADHO CCCN1CC[C@@H](C[N@@H+](C)CC)C1 608577978 347012439 /nfs/dbraw/zinc/01/24/39/347012439.db2.gz OFOYAYKXYBUNPO-NSHDSACASA-N 1 3 184.327 1.670 20 0 ADADHO CCCN1C[C@H]2CCC[C@]2([NH3+])C1 621778524 347232971 /nfs/dbraw/zinc/23/29/71/347232971.db2.gz QSPWIBADUIZYTA-ZJUUUORDSA-N 1 3 168.284 1.210 20 0 ADADHO CC(C)N1C[C@@H]2CCC[C@]2([NH3+])C1 621779076 347233000 /nfs/dbraw/zinc/23/30/00/347233000.db2.gz ZLBDPVMRFLSMKH-UWVGGRQHSA-N 1 3 168.284 1.208 20 0 ADADHO [NH3+][C@]12CCC[C@H]1CN(CC1CCC1)C2 621779257 347233014 /nfs/dbraw/zinc/23/30/14/347233014.db2.gz BVVLVKTWALYMRV-RYUDHWBXSA-N 1 3 194.322 1.600 20 0 ADADHO CC(C)N1C[C@H]2CCC[C@@]2([NH3+])C1 621779075 347233028 /nfs/dbraw/zinc/23/30/28/347233028.db2.gz ZLBDPVMRFLSMKH-NXEZZACHSA-N 1 3 168.284 1.208 20 0 ADADHO CCCCN1C[C@H]2CCC[C@@]2([NH3+])C1 621777665 347233101 /nfs/dbraw/zinc/23/31/01/347233101.db2.gz DWFXRBFHRKIVNI-GHMZBOCLSA-N 1 3 182.311 1.600 20 0 ADADHO CC(C)CCN1C[C@H]2CCC[C@@]2([NH3+])C1 621778155 347233122 /nfs/dbraw/zinc/23/31/22/347233122.db2.gz LHSRQSRSDLWVTH-VXGBXAGGSA-N 1 3 196.338 1.846 20 0 ADADHO CC(C)CN1C[C@H]2CCC[C@]2([NH3+])C1 621777806 347233154 /nfs/dbraw/zinc/23/31/54/347233154.db2.gz HDASVJHVGHIDCN-MNOVXSKESA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)CCN1C[C@@H]2CCC[C@@]2([NH3+])C1 621778153 347233169 /nfs/dbraw/zinc/23/31/69/347233169.db2.gz LHSRQSRSDLWVTH-NWDGAFQWSA-N 1 3 196.338 1.846 20 0 ADADHO CC(C)CCN1C[C@H]2CCC[C@]2([NH3+])C1 621778152 347233181 /nfs/dbraw/zinc/23/31/81/347233181.db2.gz LHSRQSRSDLWVTH-NEPJUHHUSA-N 1 3 196.338 1.846 20 0 ADADHO CCCCCN1C[C@H]2CCC[C@]2([NH3+])C1 621777813 347233206 /nfs/dbraw/zinc/23/32/06/347233206.db2.gz HNKWSFTWOUESFX-NEPJUHHUSA-N 1 3 196.338 1.990 20 0 ADADHO CCCCN1C[C@@H]2CCC[C@@]2([NH3+])C1 621777668 347233294 /nfs/dbraw/zinc/23/32/94/347233294.db2.gz DWFXRBFHRKIVNI-WDEREUQCSA-N 1 3 182.311 1.600 20 0 ADADHO CCCCCN1C[C@@H]2CCC[C@@]2([NH3+])C1 621777814 347233315 /nfs/dbraw/zinc/23/33/15/347233315.db2.gz HNKWSFTWOUESFX-NWDGAFQWSA-N 1 3 196.338 1.990 20 0 ADADHO CCCCN1C[C@@H]2CCC[C@]2([NH3+])C1 621777667 347233427 /nfs/dbraw/zinc/23/34/27/347233427.db2.gz DWFXRBFHRKIVNI-QWRGUYRKSA-N 1 3 182.311 1.600 20 0 ADADHO CC[C@H](C)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 621780182 347233381 /nfs/dbraw/zinc/23/33/81/347233381.db2.gz OGILATBJCUFMIX-SDDRHHMPSA-N 1 3 196.338 1.846 20 0 ADADHO CCCN1C[C@@H]2CCC[C@@]2([NH3+])C1 621778523 347233392 /nfs/dbraw/zinc/23/33/92/347233392.db2.gz QSPWIBADUIZYTA-VHSXEESVSA-N 1 3 168.284 1.210 20 0 ADADHO CCCCCN1C[C@@H]2CCC[C@]2([NH3+])C1 621777815 347233404 /nfs/dbraw/zinc/23/34/04/347233404.db2.gz HNKWSFTWOUESFX-RYUDHWBXSA-N 1 3 196.338 1.990 20 0 ADADHO CCCCN1C[C@H]2CCC[C@]2([NH3+])C1 621777666 347233485 /nfs/dbraw/zinc/23/34/85/347233485.db2.gz DWFXRBFHRKIVNI-MNOVXSKESA-N 1 3 182.311 1.600 20 0 ADADHO CC(C)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 621777808 347233568 /nfs/dbraw/zinc/23/35/68/347233568.db2.gz HDASVJHVGHIDCN-WDEREUQCSA-N 1 3 182.311 1.456 20 0 ADADHO CC[C@H](C)CN1C[C@H]2CCC[C@]2([NH3+])C1 621780184 347233593 /nfs/dbraw/zinc/23/35/93/347233593.db2.gz OGILATBJCUFMIX-TUAOUCFPSA-N 1 3 196.338 1.846 20 0 ADADHO CCCN1C[C@H]2CCC[C@@]2([NH3+])C1 621778521 347233634 /nfs/dbraw/zinc/23/36/34/347233634.db2.gz QSPWIBADUIZYTA-NXEZZACHSA-N 1 3 168.284 1.210 20 0 ADADHO CC(C)CN1C[C@H]2CCC[C@@]2([NH3+])C1 621777805 347233712 /nfs/dbraw/zinc/23/37/12/347233712.db2.gz HDASVJHVGHIDCN-GHMZBOCLSA-N 1 3 182.311 1.456 20 0 ADADHO [NH3+][C@@]12CCC[C@@H]1CN(CC1CC1)C2 621783529 347233738 /nfs/dbraw/zinc/23/37/38/347233738.db2.gz DBIKNYCTFFWKPM-GHMZBOCLSA-N 1 3 180.295 1.210 20 0 ADADHO CC[C@H](C)CN1C[C@@H]2CCC[C@]2([NH3+])C1 621780183 347233786 /nfs/dbraw/zinc/23/37/86/347233786.db2.gz OGILATBJCUFMIX-SRVKXCTJSA-N 1 3 196.338 1.846 20 0 ADADHO [NH3+][C@@]12CCC[C@H]1CN(CC1CCC1)C2 621779256 347233799 /nfs/dbraw/zinc/23/37/99/347233799.db2.gz BVVLVKTWALYMRV-NWDGAFQWSA-N 1 3 194.322 1.600 20 0 ADADHO CC(C)N1C[C@@H]2CCC[C@@]2([NH3+])C1 621779077 347233850 /nfs/dbraw/zinc/23/38/50/347233850.db2.gz ZLBDPVMRFLSMKH-VHSXEESVSA-N 1 3 168.284 1.208 20 0 ADADHO [NH3+][C@@]12CCC[C@@H]1CN(CC1CCC1)C2 621779258 347233895 /nfs/dbraw/zinc/23/38/95/347233895.db2.gz BVVLVKTWALYMRV-VXGBXAGGSA-N 1 3 194.322 1.600 20 0 ADADHO CCCN1C[C@@H]2CCC[C@]2([NH3+])C1 621778522 347233913 /nfs/dbraw/zinc/23/39/13/347233913.db2.gz QSPWIBADUIZYTA-UWVGGRQHSA-N 1 3 168.284 1.210 20 0 ADADHO CCCCCN1C[C@H]2CCC[C@@]2([NH3+])C1 621777816 347233926 /nfs/dbraw/zinc/23/39/26/347233926.db2.gz HNKWSFTWOUESFX-VXGBXAGGSA-N 1 3 196.338 1.990 20 0 ADADHO CC(C)CN1C[C@@H]2CCC[C@]2([NH3+])C1 621777807 347233939 /nfs/dbraw/zinc/23/39/39/347233939.db2.gz HDASVJHVGHIDCN-QWRGUYRKSA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)N1C[C@H]2CCC[C@]2([NH3+])C1 621779078 347233952 /nfs/dbraw/zinc/23/39/52/347233952.db2.gz ZLBDPVMRFLSMKH-ZJUUUORDSA-N 1 3 168.284 1.208 20 0 ADADHO [NH3+][C@]12CCC[C@@H]1CN(CC1CCC1)C2 621779255 347233967 /nfs/dbraw/zinc/23/39/67/347233967.db2.gz BVVLVKTWALYMRV-NEPJUHHUSA-N 1 3 194.322 1.600 20 0 ADADHO [NH3+][C@]12CCC[C@@H]1CN(CC1CC1)C2 621783530 347234342 /nfs/dbraw/zinc/23/43/42/347234342.db2.gz DBIKNYCTFFWKPM-MNOVXSKESA-N 1 3 180.295 1.210 20 0 ADADHO N[C@@]12CCC[C@@H]1C[N@H+](CCCF)C2 621784258 347234402 /nfs/dbraw/zinc/23/44/02/347234402.db2.gz MAEUMMSVGXSRHM-NXEZZACHSA-N 1 3 186.274 1.159 20 0 ADADHO N[C@@]12CCC[C@@H]1C[N@@H+](CCCF)C2 621784258 347234405 /nfs/dbraw/zinc/23/44/05/347234405.db2.gz MAEUMMSVGXSRHM-NXEZZACHSA-N 1 3 186.274 1.159 20 0 ADADHO N[C@]12CCC[C@@H]1C[N@H+](CCCF)C2 621784261 347234595 /nfs/dbraw/zinc/23/45/95/347234595.db2.gz MAEUMMSVGXSRHM-ZJUUUORDSA-N 1 3 186.274 1.159 20 0 ADADHO N[C@]12CCC[C@@H]1C[N@@H+](CCCF)C2 621784261 347234598 /nfs/dbraw/zinc/23/45/98/347234598.db2.gz MAEUMMSVGXSRHM-ZJUUUORDSA-N 1 3 186.274 1.159 20 0 ADADHO [NH3+][C@]12CCC[C@H]1CN(CC1CC1)C2 621783531 347234605 /nfs/dbraw/zinc/23/46/05/347234605.db2.gz DBIKNYCTFFWKPM-QWRGUYRKSA-N 1 3 180.295 1.210 20 0 ADADHO N[C@@]12CCC[C@H]1C[N@H+](CCCF)C2 621784260 347234796 /nfs/dbraw/zinc/23/47/96/347234796.db2.gz MAEUMMSVGXSRHM-VHSXEESVSA-N 1 3 186.274 1.159 20 0 ADADHO N[C@@]12CCC[C@H]1C[N@@H+](CCCF)C2 621784260 347234799 /nfs/dbraw/zinc/23/47/99/347234799.db2.gz MAEUMMSVGXSRHM-VHSXEESVSA-N 1 3 186.274 1.159 20 0 ADADHO [NH3+][C@@]12CCC[C@H]1CN(CC1CC1)C2 621783532 347234829 /nfs/dbraw/zinc/23/48/29/347234829.db2.gz DBIKNYCTFFWKPM-WDEREUQCSA-N 1 3 180.295 1.210 20 0 ADADHO N[C@]12CCC[C@H]1C[N@H+](CCCF)C2 621784259 347234864 /nfs/dbraw/zinc/23/48/64/347234864.db2.gz MAEUMMSVGXSRHM-UWVGGRQHSA-N 1 3 186.274 1.159 20 0 ADADHO N[C@]12CCC[C@H]1C[N@@H+](CCCF)C2 621784259 347234867 /nfs/dbraw/zinc/23/48/67/347234867.db2.gz MAEUMMSVGXSRHM-UWVGGRQHSA-N 1 3 186.274 1.159 20 0 ADADHO C[C@@H]1C[C@@H]1CN1C[C@H]2CCC[C@@]2([NH3+])C1 622004354 347235496 /nfs/dbraw/zinc/23/54/96/347235496.db2.gz NQVUSSJPVHDFOA-DDHJBXDOSA-N 1 3 194.322 1.456 20 0 ADADHO CC1CC(C[NH2+][C@H]2CCC[C@H](N)C2)C1 622044301 347235530 /nfs/dbraw/zinc/23/55/30/347235530.db2.gz AHIFSPOQNGLWMA-QQFIATSDSA-N 1 3 196.338 1.892 20 0 ADADHO CC1CC(C[NH2+][C@H]2CCC[C@@H](N)C2)C1 622044298 347235563 /nfs/dbraw/zinc/23/55/63/347235563.db2.gz AHIFSPOQNGLWMA-HCWSGVFWSA-N 1 3 196.338 1.892 20 0 ADADHO CC1CC(C[NH2+][C@@H]2CCC[C@@H](N)C2)C1 622044299 347235582 /nfs/dbraw/zinc/23/55/82/347235582.db2.gz AHIFSPOQNGLWMA-KIDURHIOSA-N 1 3 196.338 1.892 20 0 ADADHO CC1CC(C[NH2+][C@@H]2CCC[C@H](N)C2)C1 622044300 347235586 /nfs/dbraw/zinc/23/55/86/347235586.db2.gz AHIFSPOQNGLWMA-MMVSWEMESA-N 1 3 196.338 1.892 20 0 ADADHO C[C@@H]1C[C@@H]1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 622004356 347235599 /nfs/dbraw/zinc/23/55/99/347235599.db2.gz NQVUSSJPVHDFOA-WISYIIOYSA-N 1 3 194.322 1.456 20 0 ADADHO C[C@@H]1C[C@@H]1CN1C[C@@H]2CCC[C@]2([NH3+])C1 622004357 347235606 /nfs/dbraw/zinc/23/56/06/347235606.db2.gz NQVUSSJPVHDFOA-WYUUTHIRSA-N 1 3 194.322 1.456 20 0 ADADHO C[C@@H]1C[C@@H]1CN1C[C@H]2CCC[C@]2([NH3+])C1 622004355 347235725 /nfs/dbraw/zinc/23/57/25/347235725.db2.gz NQVUSSJPVHDFOA-KKOKHZNYSA-N 1 3 194.322 1.456 20 0 ADADHO CC[C@H]1CC[C@H]1[NH2+]CC[C@H](C)N 622044612 347236373 /nfs/dbraw/zinc/23/63/73/347236373.db2.gz MQBKUDWTSXISCF-LPEHRKFASA-N 1 3 170.300 1.502 20 0 ADADHO CC1CC(C[NH2+][C@@H]2CCC[C@@H]2CN)C1 622044371 347236464 /nfs/dbraw/zinc/23/64/64/347236464.db2.gz CWJIWNCKEFPRFE-KIDURHIOSA-N 1 3 196.338 1.750 20 0 ADADHO CC1CC(C[NH2+][C@H]2CCC[C@@H]2CN)C1 622044370 347236561 /nfs/dbraw/zinc/23/65/61/347236561.db2.gz CWJIWNCKEFPRFE-HCWSGVFWSA-N 1 3 196.338 1.750 20 0 ADADHO CC[C@H]([NH2+]CC[C@H](C)N)C1CCC1 622044441 347236566 /nfs/dbraw/zinc/23/65/66/347236566.db2.gz FRMNIRYSLUBMID-ONGXEEELSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@H]1CC[C@@H]1[NH2+]CC[C@H](C)N 622044610 347236601 /nfs/dbraw/zinc/23/66/01/347236601.db2.gz MQBKUDWTSXISCF-GUBZILKMSA-N 1 3 170.300 1.502 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)N 622044609 347236634 /nfs/dbraw/zinc/23/66/34/347236634.db2.gz MQBKUDWTSXISCF-AEJSXWLSSA-N 1 3 170.300 1.502 20 0 ADADHO CC[C@@H]([NH2+]CC[C@H](C)N)C1CCC1 622044440 347236712 /nfs/dbraw/zinc/23/67/12/347236712.db2.gz FRMNIRYSLUBMID-GXSJLCMTSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)N 622044611 347236717 /nfs/dbraw/zinc/23/67/17/347236717.db2.gz MQBKUDWTSXISCF-IVZWLZJFSA-N 1 3 170.300 1.502 20 0 ADADHO CC1CC(C[NH2+][C@@H]2CCC[C@H]2CN)C1 622044372 347236761 /nfs/dbraw/zinc/23/67/61/347236761.db2.gz CWJIWNCKEFPRFE-MMVSWEMESA-N 1 3 196.338 1.750 20 0 ADADHO CC1CC(C[NH2+][C@H]2CCC[C@H]2CN)C1 622044373 347236772 /nfs/dbraw/zinc/23/67/72/347236772.db2.gz CWJIWNCKEFPRFE-QQFIATSDSA-N 1 3 196.338 1.750 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@H]1C1CCC1 622044810 347237210 /nfs/dbraw/zinc/23/72/10/347237210.db2.gz TXMPQVCTKNWEBF-ZMLRMANQSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)[C@H]([NH2+]CC[C@H](C)N)C1CC1 622045154 347237219 /nfs/dbraw/zinc/23/72/19/347237219.db2.gz DYQAIDQTORWLEB-ONGXEEELSA-N 1 3 184.327 1.748 20 0 ADADHO CC(C)[C@@H]([NH2+]CC[C@H](C)N)C1CC1 622045153 347237229 /nfs/dbraw/zinc/23/72/29/347237229.db2.gz DYQAIDQTORWLEB-GXSJLCMTSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CCC12CCC2 622044981 347237245 /nfs/dbraw/zinc/23/72/45/347237245.db2.gz ZCRHTHKXEZCRQF-VHSXEESVSA-N 1 3 182.311 1.646 20 0 ADADHO C[C@H]([NH3+])CCN[C@@H]1CCC12CCC2 622044981 347237248 /nfs/dbraw/zinc/23/72/48/347237248.db2.gz ZCRHTHKXEZCRQF-VHSXEESVSA-N 1 3 182.311 1.646 20 0 ADADHO CC1CC(C[NH2+][C@H](C)C2CNC2)C1 622044857 347237283 /nfs/dbraw/zinc/23/72/83/347237283.db2.gz VULGBNJLHQTHDA-HWOCKDDLSA-N 1 3 182.311 1.230 20 0 ADADHO CC[C@H]([NH2+]CC[C@H](C)N)[C@H]1C[C@@H]1C 622044822 347237318 /nfs/dbraw/zinc/23/73/18/347237318.db2.gz UGCPGYCGEMPZEI-NAKRPEOUSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H](N)CC[NH2+][C@H](C1CCC1)C1CC1 622044850 347237367 /nfs/dbraw/zinc/23/73/67/347237367.db2.gz VDUFGBIEVCXGOL-JOYOIKCWSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H](N)CC[NH2+][C@H](C)CC1CCC1 622045164 347237430 /nfs/dbraw/zinc/23/74/30/347237430.db2.gz FDXNLJXQGREKIN-VHSXEESVSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@H]([NH2+]CC[C@H](C)N)[C@H]1C[C@H]1C 622044823 347237465 /nfs/dbraw/zinc/23/74/65/347237465.db2.gz UGCPGYCGEMPZEI-RCWTZXSCSA-N 1 3 184.327 1.748 20 0 ADADHO CC1CC(C[NH2+][C@@H](C)C[C@@H](C)N)C1 622044942 347237481 /nfs/dbraw/zinc/23/74/81/347237481.db2.gz YIHVMFSSTZQTIR-WIFZPCQCSA-N 1 3 184.327 1.748 20 0 ADADHO CC[C@H]([NH2+]CC[C@H](C)N)[C@@H]1C[C@@H]1C 622044821 347237566 /nfs/dbraw/zinc/23/75/66/347237566.db2.gz UGCPGYCGEMPZEI-MMWGEVLESA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H](C1CCC1)C1CC1 622044849 347237574 /nfs/dbraw/zinc/23/75/74/347237574.db2.gz VDUFGBIEVCXGOL-CABZTGNLSA-N 1 3 196.338 1.892 20 0 ADADHO CC[C@H]([NH2+]CC[C@H](C)N)[C@@H]1C[C@H]1C 622044824 347237581 /nfs/dbraw/zinc/23/75/81/347237581.db2.gz UGCPGYCGEMPZEI-YTWAJWBKSA-N 1 3 184.327 1.748 20 0 ADADHO COCCC[C@H](C)[NH2+]CC[C@H](C)N 622045167 347237620 /nfs/dbraw/zinc/23/76/20/347237620.db2.gz FIXMCUCWFOQHJI-UWVGGRQHSA-N 1 3 188.315 1.128 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CC[C@@H]1C1CCC1 622044809 347237625 /nfs/dbraw/zinc/23/76/25/347237625.db2.gz TXMPQVCTKNWEBF-WCQGTBRESA-N 1 3 196.338 1.892 20 0 ADADHO CC1CC(C[NH2+][C@@H](C)C[C@H](C)N)C1 622044941 347237631 /nfs/dbraw/zinc/23/76/31/347237631.db2.gz YIHVMFSSTZQTIR-SEQHWMEXSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CC[C@H]1C1CCC1 622044807 347237740 /nfs/dbraw/zinc/23/77/40/347237740.db2.gz TXMPQVCTKNWEBF-DLOVCJGASA-N 1 3 196.338 1.892 20 0 ADADHO CC1CC(C[NH2+][C@H](C)C[C@@H](C)N)C1 622044943 347237648 /nfs/dbraw/zinc/23/76/48/347237648.db2.gz YIHVMFSSTZQTIR-WYNUPADASA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CCC12CCC2 622044980 347237686 /nfs/dbraw/zinc/23/76/86/347237686.db2.gz ZCRHTHKXEZCRQF-UWVGGRQHSA-N 1 3 182.311 1.646 20 0 ADADHO C[C@H]([NH3+])CCN[C@H]1CCC12CCC2 622044980 347237689 /nfs/dbraw/zinc/23/76/89/347237689.db2.gz ZCRHTHKXEZCRQF-UWVGGRQHSA-N 1 3 182.311 1.646 20 0 ADADHO CC1CC(C[NH2+][C@H](C)C[C@H](C)N)C1 622044940 347237700 /nfs/dbraw/zinc/23/77/00/347237700.db2.gz YIHVMFSSTZQTIR-LIZLNQBYSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 622044808 347237735 /nfs/dbraw/zinc/23/77/35/347237735.db2.gz TXMPQVCTKNWEBF-MVWJERBFSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H](C)CC1CCC1 622045163 347237753 /nfs/dbraw/zinc/23/77/53/347237753.db2.gz FDXNLJXQGREKIN-UWVGGRQHSA-N 1 3 184.327 1.892 20 0 ADADHO CC1CC(C[NH2+][C@@H](C)C2CNC2)C1 622044858 347237770 /nfs/dbraw/zinc/23/77/70/347237770.db2.gz VULGBNJLHQTHDA-KYHHOPLUSA-N 1 3 182.311 1.230 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H](C)C1 622045660 347238244 /nfs/dbraw/zinc/23/82/44/347238244.db2.gz LFMQUVHYRNFANJ-OUAUKWLOSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H](C)C1 622045658 347238149 /nfs/dbraw/zinc/23/81/49/347238149.db2.gz LFMQUVHYRNFANJ-DCAQKATOSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@H]([NH2+]CC[C@H](C)N)C(C)C 622045598 347238198 /nfs/dbraw/zinc/23/81/98/347238198.db2.gz CLNPGFLVAPXTTO-UWVGGRQHSA-N 1 3 172.316 1.748 20 0 ADADHO CC[C@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N 622045294 347238260 /nfs/dbraw/zinc/23/82/60/347238260.db2.gz LKQKJZJEIAAKBI-DCAQKATOSA-N 1 3 184.327 1.892 20 0 ADADHO CCC[C@@H](CC)[NH2+]CC[C@H](C)N 622045184 347238278 /nfs/dbraw/zinc/23/82/78/347238278.db2.gz FZWXFMYNFDKBCY-VHSXEESVSA-N 1 3 172.316 1.892 20 0 ADADHO CCC[C@H](CC)[NH2+]CC[C@H](C)N 622045183 347238436 /nfs/dbraw/zinc/23/84/36/347238436.db2.gz FZWXFMYNFDKBCY-UWVGGRQHSA-N 1 3 172.316 1.892 20 0 ADADHO CC[C@H]1CCC[C@H]1[NH2+]CC[C@H](C)N 622045295 347238451 /nfs/dbraw/zinc/23/84/51/347238451.db2.gz LKQKJZJEIAAKBI-GARJFASQSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N 622045293 347238654 /nfs/dbraw/zinc/23/86/54/347238654.db2.gz LKQKJZJEIAAKBI-AXFHLTTASA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@@H]([NH2+]CC[C@H](C)N)C(C)C 622045599 347238692 /nfs/dbraw/zinc/23/86/92/347238692.db2.gz CLNPGFLVAPXTTO-VHSXEESVSA-N 1 3 172.316 1.748 20 0 ADADHO CC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)N 622045296 347238760 /nfs/dbraw/zinc/23/87/60/347238760.db2.gz LKQKJZJEIAAKBI-HBNTYKKESA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H](C)C1 622045659 347238852 /nfs/dbraw/zinc/23/88/52/347238852.db2.gz LFMQUVHYRNFANJ-GARJFASQSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CCCC[C@H]1C 622045692 347239198 /nfs/dbraw/zinc/23/91/98/347239198.db2.gz OQFICPYXVKSILS-VWYCJHECSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H](C)C1CCCC1 622045739 347239231 /nfs/dbraw/zinc/23/92/31/347239231.db2.gz UHNCPUGHEXMALC-UWVGGRQHSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1C 622045794 347239262 /nfs/dbraw/zinc/23/92/62/347239262.db2.gz ZZRIZRIZJFODHH-LPEHRKFASA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@H]1C 622045691 347239334 /nfs/dbraw/zinc/23/93/34/347239334.db2.gz OQFICPYXVKSILS-OUAUKWLOSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@@H](C)[C@@H](C)[NH2+]CC[C@H](C)N 622045702 347239347 /nfs/dbraw/zinc/23/93/47/347239347.db2.gz POKTWZHALLPYPF-KXUCPTDWSA-N 1 3 172.316 1.748 20 0 ADADHO C[C@H](N)CC[NH2+][C@H](C)C1CCCC1 622045740 347239362 /nfs/dbraw/zinc/23/93/62/347239362.db2.gz UHNCPUGHEXMALC-VHSXEESVSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@@H](C)[C@H](C)[NH2+]CC[C@H](C)N 622045703 347239397 /nfs/dbraw/zinc/23/93/97/347239397.db2.gz POKTWZHALLPYPF-UTLUCORTSA-N 1 3 172.316 1.748 20 0 ADADHO CC[C@H]([NH2+]CC[C@H](C)N)C1CC1 622045742 347239403 /nfs/dbraw/zinc/23/94/03/347239403.db2.gz UIERNAGMKZGBBO-WPRPVWTQSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1C 622045793 347239423 /nfs/dbraw/zinc/23/94/23/347239423.db2.gz ZZRIZRIZJFODHH-KXUCPTDWSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CCCC1(C)C 622045714 347239455 /nfs/dbraw/zinc/23/94/55/347239455.db2.gz QXQIQHAHOXJNFP-UWVGGRQHSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H](C)C1 622045661 347239470 /nfs/dbraw/zinc/23/94/70/347239470.db2.gz LFMQUVHYRNFANJ-VWYCJHECSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@@H]1C 622045690 347239479 /nfs/dbraw/zinc/23/94/79/347239479.db2.gz OQFICPYXVKSILS-GARJFASQSA-N 1 3 184.327 1.892 20 0 ADADHO CC1CCC([NH2+]CC[C@H](C)N)CC1 622045674 347239510 /nfs/dbraw/zinc/23/95/10/347239510.db2.gz LXAZOLWGTCJYMV-YVNMAJEFSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@@H]([NH2+]CC[C@H](C)N)C1CC1 622045741 347239489 /nfs/dbraw/zinc/23/94/89/347239489.db2.gz UIERNAGMKZGBBO-WCBMZHEXSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CCCC[C@@H]1C 622045689 347239497 /nfs/dbraw/zinc/23/94/97/347239497.db2.gz OQFICPYXVKSILS-DCAQKATOSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](N)CC[NH2+][C@H](C)CC1CC1 622045789 347239503 /nfs/dbraw/zinc/23/95/03/347239503.db2.gz ZODBAALHLLLNQD-DTWKUNHWSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H](C)CC1CC1 622045790 347239538 /nfs/dbraw/zinc/23/95/38/347239538.db2.gz ZODBAALHLLLNQD-IUCAKERBSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)CC[NH2+][C@@H]1CCCC1(C)C 622045715 347239546 /nfs/dbraw/zinc/23/95/46/347239546.db2.gz QXQIQHAHOXJNFP-VHSXEESVSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1C 622045792 347239602 /nfs/dbraw/zinc/23/96/02/347239602.db2.gz ZZRIZRIZJFODHH-GUBZILKMSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H]1C 622045795 347239625 /nfs/dbraw/zinc/23/96/25/347239625.db2.gz ZZRIZRIZJFODHH-UTLUCORTSA-N 1 3 170.300 1.502 20 0 ADADHO CC(C)C[NH2+]C[C@H]1CCCCN(C)C1 623655351 347260309 /nfs/dbraw/zinc/26/03/09/347260309.db2.gz VRPAXIPCWCSGHR-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CN1CCCC[C@H](C[NH2+]CC2CC2)C1 623656571 347260353 /nfs/dbraw/zinc/26/03/53/347260353.db2.gz XNTPMVVVPIWROG-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CN1CCCC[C@@H](C[NH2+]CC2CC2)C1 623656572 347260367 /nfs/dbraw/zinc/26/03/67/347260367.db2.gz XNTPMVVVPIWROG-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO CC(C)C[NH2+]C[C@@H]1CCCCN(C)C1 623655352 347260482 /nfs/dbraw/zinc/26/04/82/347260482.db2.gz VRPAXIPCWCSGHR-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)[NH2+]C[C@@H]1CCCCN(C)C1 624121830 347270207 /nfs/dbraw/zinc/27/02/07/347270207.db2.gz DOXYXJUKNMMNKI-NSHDSACASA-N 1 3 184.327 1.716 20 0 ADADHO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCNC1 629409651 347342988 /nfs/dbraw/zinc/34/29/88/347342988.db2.gz MRSRYAHTURRPMJ-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 629409547 347342823 /nfs/dbraw/zinc/34/28/23/347342823.db2.gz UDNZSDZQVOHBDW-IJLUTSLNSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 629409550 347343063 /nfs/dbraw/zinc/34/30/63/347343063.db2.gz UDNZSDZQVOHBDW-WOPDTQHZSA-N 1 3 196.338 1.763 20 0 ADADHO CCCC(CCC)[NH2+][C@@H]1CCNC1 629407511 347343171 /nfs/dbraw/zinc/34/31/71/347343171.db2.gz BZIGALMYUAWCQT-LLVKDONJSA-N 1 3 184.327 1.907 20 0 ADADHO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCNC1 629408902 347343331 /nfs/dbraw/zinc/34/33/31/347343331.db2.gz AZCODIXSZCIDOV-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC2)C[C@H]1C 629408381 347343343 /nfs/dbraw/zinc/34/33/43/347343343.db2.gz OIVCMDPJYMFWID-DDHJBXDOSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 629409545 347343379 /nfs/dbraw/zinc/34/33/79/347343379.db2.gz UDNZSDZQVOHBDW-GRYCIOLGSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 629409548 347343445 /nfs/dbraw/zinc/34/34/45/347343445.db2.gz UDNZSDZQVOHBDW-UTUOFQBUSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCNC1 629408903 347343525 /nfs/dbraw/zinc/34/35/25/347343525.db2.gz AZCODIXSZCIDOV-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1[C@H](C)CCC[C@H]1[NH2+][C@@H]1CCNC1 629409865 347344347 /nfs/dbraw/zinc/34/43/47/347344347.db2.gz UPZLLRKPULOMHB-WRWGMCAJSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCNC1 629553002 347348577 /nfs/dbraw/zinc/34/85/77/347348577.db2.gz DWRRSINAUNLYEV-AXFHLTTASA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCNC1 629553198 347348654 /nfs/dbraw/zinc/34/86/54/347348654.db2.gz ADKQBMLIUZXIEI-GMTAPVOTSA-N 1 3 196.338 1.763 20 0 ADADHO C1CC([C@H]2CC[C@@H]2[NH2+][C@@H]2CCNC2)C1 629552981 347348688 /nfs/dbraw/zinc/34/86/88/347348688.db2.gz AZTGQZOHLIXMHQ-UTUOFQBUSA-N 1 3 194.322 1.517 20 0 ADADHO C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCNC1 629553070 347348781 /nfs/dbraw/zinc/34/87/81/347348781.db2.gz LDKFMZSMZMDPKM-KXNHARMFSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CCC[C@@H](C)[C@@H]1[NH2+][C@@H]1CCNC1 629553199 347348822 /nfs/dbraw/zinc/34/88/22/347348822.db2.gz ADKQBMLIUZXIEI-KXNHARMFSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCNC1 629553005 347348829 /nfs/dbraw/zinc/34/88/29/347348829.db2.gz DWRRSINAUNLYEV-MXWKQRLJSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+][C@@H]2CCNC2)C1 629553068 347348837 /nfs/dbraw/zinc/34/88/37/347348837.db2.gz LDKFMZSMZMDPKM-DDHJBXDOSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCNC1 629553004 347348885 /nfs/dbraw/zinc/34/88/85/347348885.db2.gz DWRRSINAUNLYEV-HBNTYKKESA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCNC1 629553071 347349192 /nfs/dbraw/zinc/34/91/92/347349192.db2.gz LDKFMZSMZMDPKM-WRWGMCAJSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCNC1 629553003 347349202 /nfs/dbraw/zinc/34/92/02/347349202.db2.gz DWRRSINAUNLYEV-GMTAPVOTSA-N 1 3 196.338 1.763 20 0 ADADHO C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CCNC2)C1 629552982 347349213 /nfs/dbraw/zinc/34/92/13/347349213.db2.gz AZTGQZOHLIXMHQ-WOPDTQHZSA-N 1 3 194.322 1.517 20 0 ADADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@@H]2CCNC2)C1 629553069 347349241 /nfs/dbraw/zinc/34/92/41/347349241.db2.gz LDKFMZSMZMDPKM-KKOKHZNYSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+][C@@H]1CCNC1)[C@@H]1C[C@@H]1C 629553642 347349585 /nfs/dbraw/zinc/34/95/85/347349585.db2.gz BZXSCLKBILBAMV-ZDCRXTMVSA-N 1 3 182.311 1.373 20 0 ADADHO CC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 629553553 347349682 /nfs/dbraw/zinc/34/96/82/347349682.db2.gz YVKVSFLSKAOSQU-AXFHLTTASA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 629553554 347349692 /nfs/dbraw/zinc/34/96/92/347349692.db2.gz YVKVSFLSKAOSQU-HBNTYKKESA-N 1 3 182.311 1.517 20 0 ADADHO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCNC1 629554683 347349724 /nfs/dbraw/zinc/34/97/24/347349724.db2.gz NDRGMNCBJCFULO-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H]([NH2+][C@@H]1CCNC1)[C@@H]1C[C@H]1C 629553640 347349962 /nfs/dbraw/zinc/34/99/62/347349962.db2.gz BZXSCLKBILBAMV-DBIOUOCHSA-N 1 3 182.311 1.373 20 0 ADADHO CC[C@H]([NH2+][C@@H]1CCNC1)[C@H]1C[C@@H]1C 629553641 347350049 /nfs/dbraw/zinc/35/00/49/347350049.db2.gz BZXSCLKBILBAMV-VLEAKVRGSA-N 1 3 182.311 1.373 20 0 ADADHO CC[C@H]([NH2+][C@@H]1CCNC1)[C@H]1C[C@H]1C 629553643 347350068 /nfs/dbraw/zinc/35/00/68/347350068.db2.gz BZXSCLKBILBAMV-ZNSHCXBVSA-N 1 3 182.311 1.373 20 0 ADADHO C1C[C@@H](CN(C2CC2)C2CC2)C[NH2+]1 629568675 347350666 /nfs/dbraw/zinc/35/06/66/347350666.db2.gz SSIHXZVMFXEGPI-SECBINFHSA-N 1 3 180.295 1.223 20 0 ADADHO C1C[C@H](CN(C2CC2)C2CC2)C[NH2+]1 629568676 347350903 /nfs/dbraw/zinc/35/09/03/347350903.db2.gz SSIHXZVMFXEGPI-VIFPVBQESA-N 1 3 180.295 1.223 20 0 ADADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCNC1 629594303 347351424 /nfs/dbraw/zinc/35/14/24/347351424.db2.gz QJPYOEJGWUPBGJ-WDEREUQCSA-N 1 3 184.327 1.620 20 0 ADADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCNC1 629594302 347351463 /nfs/dbraw/zinc/35/14/63/347351463.db2.gz QJPYOEJGWUPBGJ-GHMZBOCLSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)NCC1=CCCOC1 629650410 347353824 /nfs/dbraw/zinc/35/38/24/347353824.db2.gz USAWJIXRMVNBFA-UWVGGRQHSA-N 1 3 198.310 1.049 20 0 ADADHO C[C@@H](C[C@@H](C)[NH3+])NCc1ccn(C)c1 629650674 347353887 /nfs/dbraw/zinc/35/38/87/347353887.db2.gz YVTXSSJYXPXCRU-ZJUUUORDSA-N 1 3 195.310 1.241 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)NCC1=CCCOC1 629650411 347354043 /nfs/dbraw/zinc/35/40/43/347354043.db2.gz USAWJIXRMVNBFA-VHSXEESVSA-N 1 3 198.310 1.049 20 0 ADADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccn(C)c1 629650671 347353923 /nfs/dbraw/zinc/35/39/23/347353923.db2.gz YVTXSSJYXPXCRU-NXEZZACHSA-N 1 3 195.310 1.241 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)NCc1ccn(C)c1 629650673 347354020 /nfs/dbraw/zinc/35/40/20/347354020.db2.gz YVTXSSJYXPXCRU-VHSXEESVSA-N 1 3 195.310 1.241 20 0 ADADHO C[C@@H]([NH3+])C[C@@H](C)NCC1=CCCOC1 629650409 347354176 /nfs/dbraw/zinc/35/41/76/347354176.db2.gz USAWJIXRMVNBFA-NXEZZACHSA-N 1 3 198.310 1.049 20 0 ADADHO C[C@@H](C[C@@H](C)[NH3+])NCC1=CCCOC1 629650412 347354236 /nfs/dbraw/zinc/35/42/36/347354236.db2.gz USAWJIXRMVNBFA-ZJUUUORDSA-N 1 3 198.310 1.049 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)NCc1ccn(C)c1 629650672 347354327 /nfs/dbraw/zinc/35/43/27/347354327.db2.gz YVTXSSJYXPXCRU-UWVGGRQHSA-N 1 3 195.310 1.241 20 0 ADADHO CC(C)[C@@H](N)C[NH2+]Cc1ccn(C)c1 629653847 347355063 /nfs/dbraw/zinc/35/50/63/347355063.db2.gz KYKURFPLPFCJDN-NSHDSACASA-N 1 3 195.310 1.098 20 0 ADADHO CC(C)[C@H](N)C[NH2+]Cc1ccn(C)c1 629653846 347355215 /nfs/dbraw/zinc/35/52/15/347355215.db2.gz KYKURFPLPFCJDN-LLVKDONJSA-N 1 3 195.310 1.098 20 0 ADADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)C[C@H]1CN 631836969 347388529 /nfs/dbraw/zinc/38/85/29/347388529.db2.gz KRKCKNIWJMVNGI-CHWFTXMASA-N 1 3 182.311 1.169 20 0 ADADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)C[C@H]1CN 631836969 347388531 /nfs/dbraw/zinc/38/85/31/347388531.db2.gz KRKCKNIWJMVNGI-CHWFTXMASA-N 1 3 182.311 1.169 20 0 ADADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C)C[C@H]1CN 631836972 347388987 /nfs/dbraw/zinc/38/89/87/347388987.db2.gz KRKCKNIWJMVNGI-ZRUFSTJUSA-N 1 3 182.311 1.169 20 0 ADADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)C[C@H]1CN 631836972 347388988 /nfs/dbraw/zinc/38/89/88/347388988.db2.gz KRKCKNIWJMVNGI-ZRUFSTJUSA-N 1 3 182.311 1.169 20 0 ADADHO CCCC[N@H+]1C[C@@H](C)[C@H](CN)C1 631842819 347390211 /nfs/dbraw/zinc/39/02/11/347390211.db2.gz GIDUGFXMCRQQHM-NXEZZACHSA-N 1 3 170.300 1.313 20 0 ADADHO CC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CN)C1 631838980 347390047 /nfs/dbraw/zinc/39/00/47/347390047.db2.gz XZIOLOOPHNRFJY-KXUCPTDWSA-N 1 3 170.300 1.312 20 0 ADADHO CC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CN)C1 631838980 347390048 /nfs/dbraw/zinc/39/00/48/347390048.db2.gz XZIOLOOPHNRFJY-KXUCPTDWSA-N 1 3 170.300 1.312 20 0 ADADHO CCCC[N@@H+]1C[C@@H](C)[C@H](CN)C1 631842819 347390210 /nfs/dbraw/zinc/39/02/10/347390210.db2.gz GIDUGFXMCRQQHM-NXEZZACHSA-N 1 3 170.300 1.313 20 0 ADADHO CC[C@@H](C)C[NH2+][C@]12CCC[C@@H]1CNC2 631866897 347392226 /nfs/dbraw/zinc/39/22/26/347392226.db2.gz BTMSPBKOTJVXHG-UTUOFQBUSA-N 1 3 196.338 1.764 20 0 ADADHO C1C[C@@H]2CNC[C@@]2([NH2+]CC2CC2)C1 631867479 347392276 /nfs/dbraw/zinc/39/22/76/347392276.db2.gz VRPAUWPAGCUGKI-MNOVXSKESA-N 1 3 180.295 1.128 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 631867274 347392300 /nfs/dbraw/zinc/39/23/00/347392300.db2.gz OKYCMBDJQOOCPZ-KKOKHZNYSA-N 1 3 194.322 1.374 20 0 ADADHO C[C@H]1C[C@@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 631867276 347392597 /nfs/dbraw/zinc/39/25/97/347392597.db2.gz OKYCMBDJQOOCPZ-QCNOEVLYSA-N 1 3 194.322 1.374 20 0 ADADHO C[C@H]1C[C@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 631867277 347392838 /nfs/dbraw/zinc/39/28/38/347392838.db2.gz OKYCMBDJQOOCPZ-YFKTTZPYSA-N 1 3 194.322 1.374 20 0 ADADHO C1CC(C[NH2+][C@]23CCC[C@@H]2CNC3)C1 631867342 347392846 /nfs/dbraw/zinc/39/28/46/347392846.db2.gz RASAZAMVSGSOLR-NEPJUHHUSA-N 1 3 194.322 1.518 20 0 ADADHO CC[C@H](C)C[NH2+][C@]12CCC[C@@H]1CNC2 631866896 347392856 /nfs/dbraw/zinc/39/28/56/347392856.db2.gz BTMSPBKOTJVXHG-TUAOUCFPSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 631867275 347392904 /nfs/dbraw/zinc/39/29/04/347392904.db2.gz OKYCMBDJQOOCPZ-KXNHARMFSA-N 1 3 194.322 1.374 20 0 ADADHO CC(C)CC[NH2+][C@]12CCC[C@@H]1CNC2 631870118 347393307 /nfs/dbraw/zinc/39/33/07/347393307.db2.gz FUFXIZKRLQCNLH-NEPJUHHUSA-N 1 3 196.338 1.764 20 0 ADADHO CCCC[NH2+][C@]12CCC[C@@H]1CNC2 631870362 347393493 /nfs/dbraw/zinc/39/34/93/347393493.db2.gz LQBKIOILYMOIOG-MNOVXSKESA-N 1 3 182.311 1.518 20 0 ADADHO CCCCC[NH2+][C@]12CCC[C@@H]1CNC2 631870528 347393587 /nfs/dbraw/zinc/39/35/87/347393587.db2.gz QNEPTTBLOVGFFK-NEPJUHHUSA-N 1 3 196.338 1.908 20 0 ADADHO CCC[NH2+][C@]12CCC[C@@H]1CNC2 631871146 347393673 /nfs/dbraw/zinc/39/36/73/347393673.db2.gz ZYHONZFPTBQETL-ZJUUUORDSA-N 1 3 168.284 1.128 20 0 ADADHO CC(C)C[NH2+][C@]12CCC[C@@H]1CNC2 631870286 347393745 /nfs/dbraw/zinc/39/37/45/347393745.db2.gz JYZKIGQCQSZKFR-MNOVXSKESA-N 1 3 182.311 1.374 20 0 ADADHO C1C[C@@H]2C[C@]2([NH2+]CC23CC(CN2)C3)C1 634996372 347435267 /nfs/dbraw/zinc/43/52/67/347435267.db2.gz IEQFHJIKAZIHPR-RUJICJSRSA-N 1 3 192.306 1.271 20 0 ADADHO C[C@@H]1C[N@H+](CC2(C)CC2)C[C@H]1CN 634998879 347435436 /nfs/dbraw/zinc/43/54/36/347435436.db2.gz MGQDGIWSHPMBMT-NXEZZACHSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@@H]1C[N@@H+](CC2(C)CC2)C[C@H]1CN 634998879 347435440 /nfs/dbraw/zinc/43/54/40/347435440.db2.gz MGQDGIWSHPMBMT-NXEZZACHSA-N 1 3 182.311 1.313 20 0 ADADHO C1C[C@H]2C[C@@]2([NH2+]CC23CC(CN2)C3)C1 634996369 347435449 /nfs/dbraw/zinc/43/54/49/347435449.db2.gz IEQFHJIKAZIHPR-ADPBJBESSA-N 1 3 192.306 1.271 20 0 ADADHO CNCCC[N@@H+]1[C@H](C)CCC1(C)C 641800944 347584640 /nfs/dbraw/zinc/58/46/40/347584640.db2.gz JISZSDIWADVXSQ-SNVBAGLBSA-N 1 3 184.327 1.859 20 0 ADADHO CNCCC[N@H+]1[C@H](C)CCC1(C)C 641800944 347584643 /nfs/dbraw/zinc/58/46/43/347584643.db2.gz JISZSDIWADVXSQ-SNVBAGLBSA-N 1 3 184.327 1.859 20 0 ADADHO CNCCC[N@@H+]1[C@@H](C)CCC1(C)C 641800943 347584942 /nfs/dbraw/zinc/58/49/42/347584942.db2.gz JISZSDIWADVXSQ-JTQLQIEISA-N 1 3 184.327 1.859 20 0 ADADHO CNCCC[N@H+]1[C@@H](C)CCC1(C)C 641800943 347584944 /nfs/dbraw/zinc/58/49/44/347584944.db2.gz JISZSDIWADVXSQ-JTQLQIEISA-N 1 3 184.327 1.859 20 0 ADADHO CC(C)C[C@@H](N)C[NH+]1CCCC1 20071393 351400280 /nfs/dbraw/zinc/40/02/80/351400280.db2.gz JPCJGXMPQZCGAJ-SNVBAGLBSA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)C[NH2+]CCCN1CCCC1 20128960 351401080 /nfs/dbraw/zinc/40/10/80/351401080.db2.gz FHVFOUHAAQATDO-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CC(C)CCN1CC[C@]2(CC[NH2+]C2)C1 31994449 351424447 /nfs/dbraw/zinc/42/44/47/351424447.db2.gz VEMDPJAYHYGLRP-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO CC(C)CCN1CC[C@@]2(CC[NH2+]C2)C1 31994446 351424510 /nfs/dbraw/zinc/42/45/10/351424510.db2.gz VEMDPJAYHYGLRP-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CC(C)CN1CC[C@@]2(CC[NH2+]C2)C1 31994440 351424638 /nfs/dbraw/zinc/42/46/38/351424638.db2.gz NRYSDGPGCGNGNT-LLVKDONJSA-N 1 3 182.311 1.328 20 0 ADADHO CC(C)CN1CC[C@]2(CC[NH2+]C2)C1 31994442 351424722 /nfs/dbraw/zinc/42/47/22/351424722.db2.gz NRYSDGPGCGNGNT-NSHDSACASA-N 1 3 182.311 1.328 20 0 ADADHO CC(C)C[C@H](C)[NH+]1CCC(N)CC1 34958677 351446913 /nfs/dbraw/zinc/44/69/13/351446913.db2.gz YVRVEUQMSIDZBS-JTQLQIEISA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)C[C@H](C)N1CCC([NH3+])CC1 34958677 351446916 /nfs/dbraw/zinc/44/69/16/351446916.db2.gz YVRVEUQMSIDZBS-JTQLQIEISA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)C[C@@H](C)[NH+]1CCC(N)CC1 34958676 351447009 /nfs/dbraw/zinc/44/70/09/351447009.db2.gz YVRVEUQMSIDZBS-SNVBAGLBSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)C[C@@H](C)N1CCC([NH3+])CC1 34958676 351447012 /nfs/dbraw/zinc/44/70/12/351447012.db2.gz YVRVEUQMSIDZBS-SNVBAGLBSA-N 1 3 184.327 1.844 20 0 ADADHO CC[C@@H](C)C[NH+]1CCC(N)CC1 37228209 351464407 /nfs/dbraw/zinc/46/44/07/351464407.db2.gz JIGUAMHXGBWIQD-SECBINFHSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@@H](C)CN1CCC([NH3+])CC1 37228209 351464408 /nfs/dbraw/zinc/46/44/08/351464408.db2.gz JIGUAMHXGBWIQD-SECBINFHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 37911184 351475628 /nfs/dbraw/zinc/47/56/28/351475628.db2.gz YWPPMDPWTSYSBW-GHMZBOCLSA-N 1 3 182.311 1.470 20 0 ADADHO C[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 37911184 351475633 /nfs/dbraw/zinc/47/56/33/351475633.db2.gz YWPPMDPWTSYSBW-GHMZBOCLSA-N 1 3 182.311 1.470 20 0 ADADHO C[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 38040832 351478196 /nfs/dbraw/zinc/47/81/96/351478196.db2.gz GKQVJFXVWLQPHR-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCCC[C@H]1[NH2+]C1CCNCC1 38040580 351478284 /nfs/dbraw/zinc/47/82/84/351478284.db2.gz KOEAKFNUKSWEMR-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 38040834 351478454 /nfs/dbraw/zinc/47/84/54/351478454.db2.gz GKQVJFXVWLQPHR-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 38040578 351478489 /nfs/dbraw/zinc/47/84/89/351478489.db2.gz KOEAKFNUKSWEMR-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)C[C@H](N)C[NH+]1CCCCC1 39141175 351496760 /nfs/dbraw/zinc/49/67/60/351496760.db2.gz BJHSBIZQAVXMNG-NSHDSACASA-N 1 3 184.327 1.846 20 0 ADADHO CC[C@@H](C)[NH2+]CC[C@H](C)N 40408118 351506997 /nfs/dbraw/zinc/50/69/97/351506997.db2.gz STOQBWAIWQUVET-JGVFFNPUSA-N 1 3 144.262 1.112 20 0 ADADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 40725235 351510305 /nfs/dbraw/zinc/51/03/05/351510305.db2.gz MVRCEZDUFJIWBW-GHMZBOCLSA-N 1 3 182.311 1.328 20 0 ADADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 40725235 351510312 /nfs/dbraw/zinc/51/03/12/351510312.db2.gz MVRCEZDUFJIWBW-GHMZBOCLSA-N 1 3 182.311 1.328 20 0 ADADHO CC(C)(N)C[NH2+]Cc1ccccc1 40926083 351513122 /nfs/dbraw/zinc/51/31/22/351513122.db2.gz ZRIUABLAYPQZGA-UHFFFAOYSA-N 1 3 178.279 1.514 20 0 ADADHO C[C@@H]1CCCN1CC(C)(C)[NH3+] 40926033 351513428 /nfs/dbraw/zinc/51/34/28/351513428.db2.gz REXBGBCETQCMHZ-MRVPVSSYSA-N 1 3 156.273 1.208 20 0 ADADHO C[C@@H]1CCN(CC(C)(C)[NH3+])C1 40926099 351513509 /nfs/dbraw/zinc/51/35/09/351513509.db2.gz HPOVDXWLEBHUKG-MRVPVSSYSA-N 1 3 156.273 1.066 20 0 ADADHO CC[C@@H](C)N[C@H]1CCC[NH2+]C1 43323693 351527164 /nfs/dbraw/zinc/52/71/64/351527164.db2.gz GWVVXJMCDDFHRV-BDAKNGLRSA-N 1 3 156.273 1.127 20 0 ADADHO CC[C@@H](C)N[C@@H]1CCC[NH2+]C1 43323689 351527307 /nfs/dbraw/zinc/52/73/07/351527307.db2.gz GWVVXJMCDDFHRV-RKDXNWHRSA-N 1 3 156.273 1.127 20 0 ADADHO CC(C)C[C@@H](C)N[C@H]1CCC[NH2+]C1 43325416 351527356 /nfs/dbraw/zinc/52/73/56/351527356.db2.gz ISZCYOABZCSFNG-MNOVXSKESA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)C[C@H](C)N[C@@H]1CCC[NH2+]C1 43325414 351527388 /nfs/dbraw/zinc/52/73/88/351527388.db2.gz ISZCYOABZCSFNG-WDEREUQCSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)C[C@H](C)N[C@H]1CCC[NH2+]C1 43325418 351527677 /nfs/dbraw/zinc/52/76/77/351527677.db2.gz ISZCYOABZCSFNG-QWRGUYRKSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)C[C@@H](C)N[C@@H]1CCC[NH2+]C1 43325412 351527845 /nfs/dbraw/zinc/52/78/45/351527845.db2.gz ISZCYOABZCSFNG-GHMZBOCLSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@@H](C)[N@@H+]1CCC[C@H](CN)C1 44527958 351539561 /nfs/dbraw/zinc/53/95/61/351539561.db2.gz OAIRRWZBVQCCNI-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CC[C@@H](C)[N@H+]1CCC[C@H](CN)C1 44527958 351539566 /nfs/dbraw/zinc/53/95/66/351539566.db2.gz OAIRRWZBVQCCNI-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCN1CC[C@H]([NH3+])[C@H](C)C1 49709105 351548722 /nfs/dbraw/zinc/54/87/22/351548722.db2.gz ILEQXCVFSIUHIA-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO CCC[N@@H+]1CC[C@H](N)[C@H](C)C1 49709105 351548723 /nfs/dbraw/zinc/54/87/23/351548723.db2.gz ILEQXCVFSIUHIA-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@H]1C[N@H+](CC2CCCC2)CC[C@@H]1N 49710661 351548354 /nfs/dbraw/zinc/54/83/54/351548354.db2.gz XVZBRRXQEHYWAD-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1N 49710661 351548362 /nfs/dbraw/zinc/54/83/62/351548362.db2.gz XVZBRRXQEHYWAD-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CN(CC2CCCC2)CC[C@@H]1[NH3+] 49710661 351548368 /nfs/dbraw/zinc/54/83/68/351548368.db2.gz XVZBRRXQEHYWAD-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[N@H+](CC2CC2)CC[C@@H]1N 49694098 351548456 /nfs/dbraw/zinc/54/84/56/351548456.db2.gz CCROAPGDWTVMOX-WPRPVWTQSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1N 49694098 351548459 /nfs/dbraw/zinc/54/84/59/351548459.db2.gz CCROAPGDWTVMOX-WPRPVWTQSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@H]1CN(CC2CC2)CC[C@@H]1[NH3+] 49694098 351548463 /nfs/dbraw/zinc/54/84/63/351548463.db2.gz CCROAPGDWTVMOX-WPRPVWTQSA-N 1 3 168.284 1.066 20 0 ADADHO CC(C)C[N@@H+]1CC[C@H](N)[C@@H](C)C1 49709005 351548491 /nfs/dbraw/zinc/54/84/91/351548491.db2.gz HVWAXJHBNCJGAE-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@H+]1CC[C@H](N)[C@@H](C)C1 49709005 351548496 /nfs/dbraw/zinc/54/84/96/351548496.db2.gz HVWAXJHBNCJGAE-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)CN1CC[C@H]([NH3+])[C@@H](C)C1 49709005 351548501 /nfs/dbraw/zinc/54/85/01/351548501.db2.gz HVWAXJHBNCJGAE-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO C[C@H]1C[N@H+](CC2CCCC2)CC[C@@H]1N 49710663 351548536 /nfs/dbraw/zinc/54/85/36/351548536.db2.gz XVZBRRXQEHYWAD-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1N 49710663 351548538 /nfs/dbraw/zinc/54/85/38/351548538.db2.gz XVZBRRXQEHYWAD-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CN(CC2CCCC2)CC[C@@H]1[NH3+] 49710663 351548541 /nfs/dbraw/zinc/54/85/41/351548541.db2.gz XVZBRRXQEHYWAD-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@H](N)[C@@H](C)C1 49707370 351548555 /nfs/dbraw/zinc/54/85/55/351548555.db2.gz PLNQBNGNQDUBDJ-QWRGUYRKSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CC[N@H+]1CC[C@H](N)[C@@H](C)C1 49707370 351548557 /nfs/dbraw/zinc/54/85/57/351548557.db2.gz PLNQBNGNQDUBDJ-QWRGUYRKSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CCN1CC[C@H]([NH3+])[C@@H](C)C1 49707370 351548559 /nfs/dbraw/zinc/54/85/59/351548559.db2.gz PLNQBNGNQDUBDJ-QWRGUYRKSA-N 1 3 184.327 1.702 20 0 ADADHO CCC[N@H+]1CC[C@H](N)[C@H](C)C1 49709105 351548725 /nfs/dbraw/zinc/54/87/25/351548725.db2.gz ILEQXCVFSIUHIA-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1C[N@H+](CC2CCC2)CC[C@@H]1N 49710554 351548737 /nfs/dbraw/zinc/54/87/37/351548737.db2.gz UNZUFDNULJPXMV-ONGXEEELSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[N@@H+](CC2CCC2)CC[C@@H]1N 49710554 351548738 /nfs/dbraw/zinc/54/87/38/351548738.db2.gz UNZUFDNULJPXMV-ONGXEEELSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1CN(CC2CCC2)CC[C@@H]1[NH3+] 49710554 351548740 /nfs/dbraw/zinc/54/87/40/351548740.db2.gz UNZUFDNULJPXMV-ONGXEEELSA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)C[N@@H+]1CC[C@H](N)[C@H](C)C1 49709004 351548745 /nfs/dbraw/zinc/54/87/45/351548745.db2.gz HVWAXJHBNCJGAE-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@H+]1CC[C@H](N)[C@H](C)C1 49709004 351548746 /nfs/dbraw/zinc/54/87/46/351548746.db2.gz HVWAXJHBNCJGAE-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)CN1CC[C@H]([NH3+])[C@H](C)C1 49709004 351548747 /nfs/dbraw/zinc/54/87/47/351548747.db2.gz HVWAXJHBNCJGAE-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO CCCC[N@@H+]1CC[C@H](N)[C@H](C)C1 49707349 351548782 /nfs/dbraw/zinc/54/87/82/351548782.db2.gz HZSJBLJADQQQON-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CCCC[N@H+]1CC[C@H](N)[C@H](C)C1 49707349 351548783 /nfs/dbraw/zinc/54/87/83/351548783.db2.gz HZSJBLJADQQQON-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CCCCN1CC[C@H]([NH3+])[C@H](C)C1 49707349 351548784 /nfs/dbraw/zinc/54/87/84/351548784.db2.gz HZSJBLJADQQQON-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@@H]1C[N@H+](CC2CCC2)CC[C@@H]1N 49710552 351548943 /nfs/dbraw/zinc/54/89/43/351548943.db2.gz UNZUFDNULJPXMV-KOLCDFICSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[N@@H+](CC2CCC2)CC[C@@H]1N 49710552 351548944 /nfs/dbraw/zinc/54/89/44/351548944.db2.gz UNZUFDNULJPXMV-KOLCDFICSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1CN(CC2CCC2)CC[C@@H]1[NH3+] 49710552 351548949 /nfs/dbraw/zinc/54/89/49/351548949.db2.gz UNZUFDNULJPXMV-KOLCDFICSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1N 49694097 351549000 /nfs/dbraw/zinc/54/90/00/351549000.db2.gz CCROAPGDWTVMOX-SCZZXKLOSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1CN(CC2CC2)CC[C@@H]1[NH3+] 49694097 351549009 /nfs/dbraw/zinc/54/90/09/351549009.db2.gz CCROAPGDWTVMOX-SCZZXKLOSA-N 1 3 168.284 1.066 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@H](N)[C@H](C)C1 49707368 351549102 /nfs/dbraw/zinc/54/91/02/351549102.db2.gz PLNQBNGNQDUBDJ-MNOVXSKESA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CC[N@H+]1CC[C@H](N)[C@H](C)C1 49707368 351549105 /nfs/dbraw/zinc/54/91/05/351549105.db2.gz PLNQBNGNQDUBDJ-MNOVXSKESA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CCN1CC[C@H]([NH3+])[C@H](C)C1 49707368 351549107 /nfs/dbraw/zinc/54/91/07/351549107.db2.gz PLNQBNGNQDUBDJ-MNOVXSKESA-N 1 3 184.327 1.702 20 0 ADADHO CCCC[N@@H+]1CC[C@@H](N)[C@H](C)C1 49707350 351549142 /nfs/dbraw/zinc/54/91/42/351549142.db2.gz HZSJBLJADQQQON-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCC[N@H+]1CC[C@@H](N)[C@H](C)C1 49707350 351549144 /nfs/dbraw/zinc/54/91/44/351549144.db2.gz HZSJBLJADQQQON-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCCN1CC[C@@H]([NH3+])[C@H](C)C1 49707350 351549149 /nfs/dbraw/zinc/54/91/49/351549149.db2.gz HZSJBLJADQQQON-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCN1CC[C@@H]([NH3+])[C@H](C)C1 49709107 351549164 /nfs/dbraw/zinc/54/91/64/351549164.db2.gz ILEQXCVFSIUHIA-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO CCC[N@@H+]1CC[C@@H](N)[C@H](C)C1 49709107 351549168 /nfs/dbraw/zinc/54/91/68/351549168.db2.gz ILEQXCVFSIUHIA-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO CCC[N@H+]1CC[C@@H](N)[C@H](C)C1 49709107 351549171 /nfs/dbraw/zinc/54/91/71/351549171.db2.gz ILEQXCVFSIUHIA-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO CC[C@@H](C)CN1CC[C@H]([NH3+])C1 50228000 351553416 /nfs/dbraw/zinc/55/34/16/351553416.db2.gz MNFIPDFEZQSIKU-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@H]1CCC[N@H+](CCCN)[C@@H]1C 50563674 351554472 /nfs/dbraw/zinc/55/44/72/351554472.db2.gz HTNLWEMPQBLJFA-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@@H]1CCC[N@@H+](CCCN)[C@@H]1C 50563674 351554476 /nfs/dbraw/zinc/55/44/76/351554476.db2.gz HTNLWEMPQBLJFA-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CC(C)CCN(C)CC(C)(C)C[NH3+] 51259659 351556503 /nfs/dbraw/zinc/55/65/03/351556503.db2.gz IRCRLYYADNIVCA-UHFFFAOYSA-N 1 3 186.343 1.949 20 0 ADADHO C[C@@H]1CCCN1C[C@@H]1CC[NH2+]C1 51889567 351560705 /nfs/dbraw/zinc/56/07/05/351560705.db2.gz LPYNCKMTSXWOJE-NXEZZACHSA-N 1 3 168.284 1.080 20 0 ADADHO NC1C[C@@H]2CC[C@H](C1)[N@@H+]2C1CCC1 54628649 351573579 /nfs/dbraw/zinc/57/35/79/351573579.db2.gz PTXQGOYQKJMYHC-UQPYNNQESA-N 1 3 180.295 1.493 20 0 ADADHO NC1C[C@@H]2CC[C@H](C1)[N@H+]2C1CCC1 54628649 351573582 /nfs/dbraw/zinc/57/35/82/351573582.db2.gz PTXQGOYQKJMYHC-UQPYNNQESA-N 1 3 180.295 1.493 20 0 ADADHO CC(C)C[C@@H](CN)[C@H]1CCCC[NH2+]1 68590882 351595047 /nfs/dbraw/zinc/59/50/47/351595047.db2.gz KTKDHSZQVGWHAT-WDEREUQCSA-N 1 3 184.327 1.750 20 0 ADADHO CC(C)C[C@@H](CN)[C@@H]1CCCC[NH2+]1 68590874 351595608 /nfs/dbraw/zinc/59/56/08/351595608.db2.gz KTKDHSZQVGWHAT-QWRGUYRKSA-N 1 3 184.327 1.750 20 0 ADADHO CC(C)C[C@H](CN)[C@@H]1CCCC[NH2+]1 68590878 351595881 /nfs/dbraw/zinc/59/58/81/351595881.db2.gz KTKDHSZQVGWHAT-MNOVXSKESA-N 1 3 184.327 1.750 20 0 ADADHO CC(C)C[NH2+][C@H]1CCN[C@@H](C)C1 73657537 351620509 /nfs/dbraw/zinc/62/05/09/351620509.db2.gz SOKNRQSHIARYCW-UWVGGRQHSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCN[C@@H](C)C1 73657534 351620588 /nfs/dbraw/zinc/62/05/88/351620588.db2.gz SOKNRQSHIARYCW-VHSXEESVSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCN[C@H](C)C1 73657530 351621269 /nfs/dbraw/zinc/62/12/69/351621269.db2.gz SOKNRQSHIARYCW-NXEZZACHSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)C[NH2+][C@H]1CCN[C@H](C)C1 73657535 351621341 /nfs/dbraw/zinc/62/13/41/351621341.db2.gz SOKNRQSHIARYCW-ZJUUUORDSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)(C)CCN1C[C@@H]2C[NH2+]C[C@@H]2C1 78570895 351627486 /nfs/dbraw/zinc/62/74/86/351627486.db2.gz LZYOAWKVLKECFS-PHIMTYICSA-N 1 3 196.338 1.574 20 0 ADADHO CC[N@@H+]1CCCC[C@H]1CCN 82594432 351640043 /nfs/dbraw/zinc/64/00/43/351640043.db2.gz JQYDOPKQWDWRJQ-VIFPVBQESA-N 1 3 156.273 1.210 20 0 ADADHO CC[N@H+]1CCCC[C@H]1CCN 82594432 351640047 /nfs/dbraw/zinc/64/00/47/351640047.db2.gz JQYDOPKQWDWRJQ-VIFPVBQESA-N 1 3 156.273 1.210 20 0 ADADHO CCN1CCCC[C@H]1CC[NH3+] 82594432 351640048 /nfs/dbraw/zinc/64/00/48/351640048.db2.gz JQYDOPKQWDWRJQ-VIFPVBQESA-N 1 3 156.273 1.210 20 0 ADADHO CC[N@@H+]1CCCC[C@@H]1CCN 82594429 351640537 /nfs/dbraw/zinc/64/05/37/351640537.db2.gz JQYDOPKQWDWRJQ-SECBINFHSA-N 1 3 156.273 1.210 20 0 ADADHO CC[N@H+]1CCCC[C@@H]1CCN 82594429 351640540 /nfs/dbraw/zinc/64/05/40/351640540.db2.gz JQYDOPKQWDWRJQ-SECBINFHSA-N 1 3 156.273 1.210 20 0 ADADHO CCN1CCCC[C@@H]1CC[NH3+] 82594429 351640544 /nfs/dbraw/zinc/64/05/44/351640544.db2.gz JQYDOPKQWDWRJQ-SECBINFHSA-N 1 3 156.273 1.210 20 0 ADADHO CC(C)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 88287983 351662359 /nfs/dbraw/zinc/66/23/59/351662359.db2.gz QCANECPRIIJKDN-QWRGUYRKSA-N 1 3 182.311 1.184 20 0 ADADHO CC(C)CN1CCC[C@]2(CC[NH2+]C2)C1 96215365 351679647 /nfs/dbraw/zinc/67/96/47/351679647.db2.gz IKCKJTJQBNDVCS-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CC(C)CN1CCC[C@@]2(CC[NH2+]C2)C1 96215366 351679758 /nfs/dbraw/zinc/67/97/58/351679758.db2.gz IKCKJTJQBNDVCS-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO c1cc2c(cn1)C1(CC[NH2+]CC1)CN2 97757729 351684678 /nfs/dbraw/zinc/68/46/78/351684678.db2.gz YAMNXRUOMZMPIS-UHFFFAOYSA-N 1 3 189.262 1.128 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 106868296 351717325 /nfs/dbraw/zinc/71/73/25/351717325.db2.gz HWSJFEIZZOIICO-VXGBXAGGSA-N 1 3 196.338 1.859 20 0 ADADHO CC(C)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 106868298 351717301 /nfs/dbraw/zinc/71/73/01/351717301.db2.gz HWSJFEIZZOIICO-NWDGAFQWSA-N 1 3 196.338 1.859 20 0 ADADHO CC(C)C[N@@H+]1CC[C@H]([C@@H](C)N)C1 107936859 351720022 /nfs/dbraw/zinc/72/00/22/351720022.db2.gz KNIRJEXIADWFPS-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@H+]1CC[C@H]([C@@H](C)N)C1 107936859 351720024 /nfs/dbraw/zinc/72/00/24/351720024.db2.gz KNIRJEXIADWFPS-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@@H+]1CC[C@@H]([C@@H](C)N)C1 107936862 351720042 /nfs/dbraw/zinc/72/00/42/351720042.db2.gz KNIRJEXIADWFPS-NXEZZACHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@H+]1CC[C@@H]([C@@H](C)N)C1 107936862 351720044 /nfs/dbraw/zinc/72/00/44/351720044.db2.gz KNIRJEXIADWFPS-NXEZZACHSA-N 1 3 170.300 1.312 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1CCCC1 122297551 351726702 /nfs/dbraw/zinc/72/67/02/351726702.db2.gz ULRTYTGABLVMIV-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1CCCC1 122297551 351726705 /nfs/dbraw/zinc/72/67/05/351726705.db2.gz ULRTYTGABLVMIV-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1CCCC1 122297953 351726872 /nfs/dbraw/zinc/72/68/72/351726872.db2.gz ULRTYTGABLVMIV-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1CCCC1 122297953 351726875 /nfs/dbraw/zinc/72/68/75/351726875.db2.gz ULRTYTGABLVMIV-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1CCC1 122367939 351727541 /nfs/dbraw/zinc/72/75/41/351727541.db2.gz YWYDZYCTUZFBBX-KOLCDFICSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1CCC1 122367939 351727543 /nfs/dbraw/zinc/72/75/43/351727543.db2.gz YWYDZYCTUZFBBX-KOLCDFICSA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)C[N@@H+]1C[C@@H](CN)C[C@@H]1C 122315306 351727554 /nfs/dbraw/zinc/72/75/54/351727554.db2.gz PIACMHWZUONNKF-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@H+]1C[C@@H](CN)C[C@@H]1C 122315306 351727557 /nfs/dbraw/zinc/72/75/57/351727557.db2.gz PIACMHWZUONNKF-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1CCC1 122367506 351727632 /nfs/dbraw/zinc/72/76/32/351727632.db2.gz YWYDZYCTUZFBBX-MWLCHTKSSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1CCC1 122367506 351727634 /nfs/dbraw/zinc/72/76/34/351727634.db2.gz YWYDZYCTUZFBBX-MWLCHTKSSA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)C[N@@H+]1C[C@H](CN)C[C@H]1C 122315542 351727743 /nfs/dbraw/zinc/72/77/43/351727743.db2.gz PIACMHWZUONNKF-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@H+]1C[C@H](CN)C[C@H]1C 122315542 351727745 /nfs/dbraw/zinc/72/77/45/351727745.db2.gz PIACMHWZUONNKF-ZJUUUORDSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@@H+]1C[C@H](CN)C[C@@H]1C 122315785 351728073 /nfs/dbraw/zinc/72/80/73/351728073.db2.gz PIACMHWZUONNKF-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@H+]1C[C@H](CN)C[C@@H]1C 122315785 351728075 /nfs/dbraw/zinc/72/80/75/351728075.db2.gz PIACMHWZUONNKF-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO C[C@@H]1SCCN(CCC[NH3+])[C@@H]1C 123771656 351728471 /nfs/dbraw/zinc/72/84/71/351728471.db2.gz SQOANSDQPDVDRA-BDAKNGLRSA-N 1 3 188.340 1.161 20 0 ADADHO C[C@@H]1SCCN(CCC[NH3+])[C@H]1C 123771895 351728988 /nfs/dbraw/zinc/72/89/88/351728988.db2.gz SQOANSDQPDVDRA-IUCAKERBSA-N 1 3 188.340 1.161 20 0 ADADHO CC(C)C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 128420161 351733863 /nfs/dbraw/zinc/73/38/63/351733863.db2.gz OWFYKZIEKRXLPP-WDEREUQCSA-N 1 3 182.311 1.326 20 0 ADADHO CC(C)C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 128420161 351733866 /nfs/dbraw/zinc/73/38/66/351733866.db2.gz OWFYKZIEKRXLPP-WDEREUQCSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)C1 128542744 351734070 /nfs/dbraw/zinc/73/40/70/351734070.db2.gz HMLNWACKEUTJMH-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+]C2CCNCC2)C1 128542340 351734277 /nfs/dbraw/zinc/73/42/77/351734277.db2.gz HMLNWACKEUTJMH-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CC[N@H+](CCCN)C[C@@H]1C 129400020 351735425 /nfs/dbraw/zinc/73/54/25/351735425.db2.gz VHJYFVIAWPFZFU-ZJUUUORDSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@@H]1CC[N@@H+](CCCN)C[C@@H]1C 129400020 351735429 /nfs/dbraw/zinc/73/54/29/351735429.db2.gz VHJYFVIAWPFZFU-ZJUUUORDSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@@H]1CCN(CCC[NH3+])C[C@@H]1C 129400020 351735431 /nfs/dbraw/zinc/73/54/31/351735431.db2.gz VHJYFVIAWPFZFU-ZJUUUORDSA-N 1 3 170.300 1.313 20 0 ADADHO CC[C@@H](C)CN1CC[C@@H]([NH3+])C1 130765921 351736094 /nfs/dbraw/zinc/73/60/94/351736094.db2.gz MNFIPDFEZQSIKU-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO C1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 156083375 351750086 /nfs/dbraw/zinc/75/00/86/351750086.db2.gz NNJGFYLYRLLXED-VXGBXAGGSA-N 1 3 194.322 1.755 20 0 ADADHO C1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 156083375 351750088 /nfs/dbraw/zinc/75/00/88/351750088.db2.gz NNJGFYLYRLLXED-VXGBXAGGSA-N 1 3 194.322 1.755 20 0 ADADHO C1CC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 156083375 351750091 /nfs/dbraw/zinc/75/00/91/351750091.db2.gz NNJGFYLYRLLXED-VXGBXAGGSA-N 1 3 194.322 1.755 20 0 ADADHO C1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 156083498 351750149 /nfs/dbraw/zinc/75/01/49/351750149.db2.gz NNJGFYLYRLLXED-NWDGAFQWSA-N 1 3 194.322 1.755 20 0 ADADHO C1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 156083498 351750151 /nfs/dbraw/zinc/75/01/51/351750151.db2.gz NNJGFYLYRLLXED-NWDGAFQWSA-N 1 3 194.322 1.755 20 0 ADADHO C1CC([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 156083498 351750154 /nfs/dbraw/zinc/75/01/54/351750154.db2.gz NNJGFYLYRLLXED-NWDGAFQWSA-N 1 3 194.322 1.755 20 0 ADADHO CCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 164648874 351765953 /nfs/dbraw/zinc/76/59/53/351765953.db2.gz WHBLCWGRSDQDBK-WDEREUQCSA-N 1 3 184.327 1.703 20 0 ADADHO CCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 164648874 351765955 /nfs/dbraw/zinc/76/59/55/351765955.db2.gz WHBLCWGRSDQDBK-WDEREUQCSA-N 1 3 184.327 1.703 20 0 ADADHO CCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 164648986 351765975 /nfs/dbraw/zinc/76/59/75/351765975.db2.gz WHBLCWGRSDQDBK-GHMZBOCLSA-N 1 3 184.327 1.703 20 0 ADADHO CCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 164648986 351765977 /nfs/dbraw/zinc/76/59/77/351765977.db2.gz WHBLCWGRSDQDBK-GHMZBOCLSA-N 1 3 184.327 1.703 20 0 ADADHO C[N@@H+]1CCC[C@H]1CCN1CCCC1 203305405 351783001 /nfs/dbraw/zinc/78/30/01/351783001.db2.gz NXSUGRAUEJOWAX-NSHDSACASA-N 1 3 182.311 1.567 20 0 ADADHO C[N@H+]1CCC[C@H]1CCN1CCCC1 203305405 351783003 /nfs/dbraw/zinc/78/30/03/351783003.db2.gz NXSUGRAUEJOWAX-NSHDSACASA-N 1 3 182.311 1.567 20 0 ADADHO C[N@@H+]1CCC[C@@H]1CCN1CCCC1 203305397 351783037 /nfs/dbraw/zinc/78/30/37/351783037.db2.gz NXSUGRAUEJOWAX-LLVKDONJSA-N 1 3 182.311 1.567 20 0 ADADHO C[N@H+]1CCC[C@@H]1CCN1CCCC1 203305397 351783040 /nfs/dbraw/zinc/78/30/40/351783040.db2.gz NXSUGRAUEJOWAX-LLVKDONJSA-N 1 3 182.311 1.567 20 0 ADADHO C1CN[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 219792846 351790989 /nfs/dbraw/zinc/79/09/89/351790989.db2.gz RLPGSHYWRQUEOW-WDEREUQCSA-N 1 3 180.295 1.080 20 0 ADADHO C1CN[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 219792846 351790991 /nfs/dbraw/zinc/79/09/91/351790991.db2.gz RLPGSHYWRQUEOW-WDEREUQCSA-N 1 3 180.295 1.080 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219749954 351791212 /nfs/dbraw/zinc/79/12/12/351791212.db2.gz PLNQBNGNQDUBDJ-WDEREUQCSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CC[N@H+]1CC[C@@H](N)[C@@H](C)C1 219749954 351791213 /nfs/dbraw/zinc/79/12/13/351791213.db2.gz PLNQBNGNQDUBDJ-WDEREUQCSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 219749954 351791217 /nfs/dbraw/zinc/79/12/17/351791217.db2.gz PLNQBNGNQDUBDJ-WDEREUQCSA-N 1 3 184.327 1.702 20 0 ADADHO C[C@@H]1CN(CC2CCCCC2)C[C@@H]1[NH3+] 235356181 351815854 /nfs/dbraw/zinc/81/58/54/351815854.db2.gz VMRDEZNODQHRFU-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO CCC[N@@H+]1CC[C@@H](N)C[C@H]1C 242522221 351827422 /nfs/dbraw/zinc/82/74/22/351827422.db2.gz IMRISIRTRUCIJC-RKDXNWHRSA-N 1 3 156.273 1.208 20 0 ADADHO CCC[N@H+]1CC[C@@H](N)C[C@H]1C 242522221 351827426 /nfs/dbraw/zinc/82/74/26/351827426.db2.gz IMRISIRTRUCIJC-RKDXNWHRSA-N 1 3 156.273 1.208 20 0 ADADHO CCCN1CC[C@@H]([NH3+])C[C@H]1C 242522221 351827430 /nfs/dbraw/zinc/82/74/30/351827430.db2.gz IMRISIRTRUCIJC-RKDXNWHRSA-N 1 3 156.273 1.208 20 0 ADADHO CCC[N@@H+]1CC[C@H](N)C[C@H]1C 242522220 351827700 /nfs/dbraw/zinc/82/77/00/351827700.db2.gz IMRISIRTRUCIJC-BDAKNGLRSA-N 1 3 156.273 1.208 20 0 ADADHO CCC[N@H+]1CC[C@H](N)C[C@H]1C 242522220 351827702 /nfs/dbraw/zinc/82/77/02/351827702.db2.gz IMRISIRTRUCIJC-BDAKNGLRSA-N 1 3 156.273 1.208 20 0 ADADHO CCCN1CC[C@H]([NH3+])C[C@H]1C 242522220 351827705 /nfs/dbraw/zinc/82/77/05/351827705.db2.gz IMRISIRTRUCIJC-BDAKNGLRSA-N 1 3 156.273 1.208 20 0 ADADHO CCC[N@@H+]1CCC[C@@H]([C@H](C)N)C1 250064235 351831351 /nfs/dbraw/zinc/83/13/51/351831351.db2.gz YAPUYXNNUOFLIN-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@H+]1CCC[C@@H]([C@H](C)N)C1 250064235 351831354 /nfs/dbraw/zinc/83/13/54/351831354.db2.gz YAPUYXNNUOFLIN-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CCCN1CCC[C@@H]([C@H](C)[NH3+])C1 250064235 351831356 /nfs/dbraw/zinc/83/13/56/351831356.db2.gz YAPUYXNNUOFLIN-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@@H+]1CCC[C@H]([C@H](C)N)C1 250064231 351831419 /nfs/dbraw/zinc/83/14/19/351831419.db2.gz YAPUYXNNUOFLIN-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CCC[N@H+]1CCC[C@H]([C@H](C)N)C1 250064231 351831422 /nfs/dbraw/zinc/83/14/22/351831422.db2.gz YAPUYXNNUOFLIN-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCN1CCC[C@H]([C@H](C)[NH3+])C1 250064231 351831425 /nfs/dbraw/zinc/83/14/25/351831425.db2.gz YAPUYXNNUOFLIN-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CCN1CCC[C@@H]([C@H](C)[NH3+])C1 250395396 351832213 /nfs/dbraw/zinc/83/22/13/351832213.db2.gz YOCWDKFYEAIGBL-DTWKUNHWSA-N 1 3 156.273 1.066 20 0 ADADHO CCN1CCC[C@H]([C@H](C)[NH3+])C1 250395398 351832283 /nfs/dbraw/zinc/83/22/83/351832283.db2.gz YOCWDKFYEAIGBL-IUCAKERBSA-N 1 3 156.273 1.066 20 0 ADADHO CC(C)C[N@@H+]1CC[C@H]([C@H](C)N)C1 250590618 351832736 /nfs/dbraw/zinc/83/27/36/351832736.db2.gz KNIRJEXIADWFPS-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@H+]1CC[C@H]([C@H](C)N)C1 250590618 351832739 /nfs/dbraw/zinc/83/27/39/351832739.db2.gz KNIRJEXIADWFPS-UWVGGRQHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@@H+]1CC[C@@H]([C@H](C)N)C1 250590619 351832745 /nfs/dbraw/zinc/83/27/45/351832745.db2.gz KNIRJEXIADWFPS-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@H+]1CC[C@@H]([C@H](C)N)C1 250590619 351832747 /nfs/dbraw/zinc/83/27/47/351832747.db2.gz KNIRJEXIADWFPS-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO C[C@H]1CN(CCCF)CC[C@H]1[NH3+] 251764707 351836439 /nfs/dbraw/zinc/83/64/39/351836439.db2.gz MAXXCQSDTSBCFA-DTWKUNHWSA-N 1 3 174.263 1.015 20 0 ADADHO C[C@H]1C[N@H+](CC2CC2)CC[C@H]1N 251573691 351835322 /nfs/dbraw/zinc/83/53/22/351835322.db2.gz CCROAPGDWTVMOX-WCBMZHEXSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1N 251573691 351835324 /nfs/dbraw/zinc/83/53/24/351835324.db2.gz CCROAPGDWTVMOX-WCBMZHEXSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@H]1CN(CC2CC2)CC[C@H]1[NH3+] 251573691 351835326 /nfs/dbraw/zinc/83/53/26/351835326.db2.gz CCROAPGDWTVMOX-WCBMZHEXSA-N 1 3 168.284 1.066 20 0 ADADHO CC(C)C[N@@H+]1CC[C@@H](N)[C@H](C)C1 251681451 351835338 /nfs/dbraw/zinc/83/53/38/351835338.db2.gz HVWAXJHBNCJGAE-NXEZZACHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@H+]1CC[C@@H](N)[C@H](C)C1 251681451 351835342 /nfs/dbraw/zinc/83/53/42/351835342.db2.gz HVWAXJHBNCJGAE-NXEZZACHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)CN1CC[C@@H]([NH3+])[C@H](C)C1 251681451 351835344 /nfs/dbraw/zinc/83/53/44/351835344.db2.gz HVWAXJHBNCJGAE-NXEZZACHSA-N 1 3 170.300 1.312 20 0 ADADHO CC[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 251629490 351835363 /nfs/dbraw/zinc/83/53/63/351835363.db2.gz FJSZQMMVGDHUAE-NWDGAFQWSA-N 1 3 196.338 1.860 20 0 ADADHO CC[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 251629490 351835366 /nfs/dbraw/zinc/83/53/66/351835366.db2.gz FJSZQMMVGDHUAE-NWDGAFQWSA-N 1 3 196.338 1.860 20 0 ADADHO CC[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 251661958 351835407 /nfs/dbraw/zinc/83/54/07/351835407.db2.gz HBQVBIPKJCMHEJ-RYUDHWBXSA-N 1 3 196.338 1.718 20 0 ADADHO CC[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 251661958 351835409 /nfs/dbraw/zinc/83/54/09/351835409.db2.gz HBQVBIPKJCMHEJ-RYUDHWBXSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1C[N@H+](CC2CC2)CC[C@H]1N 251573684 351835418 /nfs/dbraw/zinc/83/54/18/351835418.db2.gz CCROAPGDWTVMOX-PSASIEDQSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1N 251573684 351835420 /nfs/dbraw/zinc/83/54/20/351835420.db2.gz CCROAPGDWTVMOX-PSASIEDQSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1CN(CC2CC2)CC[C@H]1[NH3+] 251573684 351835423 /nfs/dbraw/zinc/83/54/23/351835423.db2.gz CCROAPGDWTVMOX-PSASIEDQSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1 251686463 351835549 /nfs/dbraw/zinc/83/55/49/351835549.db2.gz MVRCEZDUFJIWBW-MNOVXSKESA-N 1 3 182.311 1.328 20 0 ADADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 251686463 351835551 /nfs/dbraw/zinc/83/55/51/351835551.db2.gz MVRCEZDUFJIWBW-MNOVXSKESA-N 1 3 182.311 1.328 20 0 ADADHO CC[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 251629496 351835655 /nfs/dbraw/zinc/83/56/55/351835655.db2.gz FJSZQMMVGDHUAE-RYUDHWBXSA-N 1 3 196.338 1.860 20 0 ADADHO CC[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 251629496 351835656 /nfs/dbraw/zinc/83/56/56/351835656.db2.gz FJSZQMMVGDHUAE-RYUDHWBXSA-N 1 3 196.338 1.860 20 0 ADADHO CC[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1 251661954 351835665 /nfs/dbraw/zinc/83/56/65/351835665.db2.gz HBQVBIPKJCMHEJ-NEPJUHHUSA-N 1 3 196.338 1.718 20 0 ADADHO CC[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 251661954 351835666 /nfs/dbraw/zinc/83/56/66/351835666.db2.gz HBQVBIPKJCMHEJ-NEPJUHHUSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1CN(CCCF)CC[C@H]1[NH3+] 251764709 351836326 /nfs/dbraw/zinc/83/63/26/351836326.db2.gz MAXXCQSDTSBCFA-RKDXNWHRSA-N 1 3 174.263 1.015 20 0 ADADHO CC(C)CC[N@@H+]1CC[C@@H](N)[C@H](C)C1 251829956 351836458 /nfs/dbraw/zinc/83/64/58/351836458.db2.gz PLNQBNGNQDUBDJ-GHMZBOCLSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CC[N@H+]1CC[C@@H](N)[C@H](C)C1 251829956 351836461 /nfs/dbraw/zinc/83/64/61/351836461.db2.gz PLNQBNGNQDUBDJ-GHMZBOCLSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CCN1CC[C@@H]([NH3+])[C@H](C)C1 251829956 351836464 /nfs/dbraw/zinc/83/64/64/351836464.db2.gz PLNQBNGNQDUBDJ-GHMZBOCLSA-N 1 3 184.327 1.702 20 0 ADADHO C[C@H]1C[N@H+](CC2CCCC2)CC[C@H]1N 251919480 351837346 /nfs/dbraw/zinc/83/73/46/351837346.db2.gz XVZBRRXQEHYWAD-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1C[N@H+](CC2CCC2)CC[C@H]1N 251878101 351837059 /nfs/dbraw/zinc/83/70/59/351837059.db2.gz UNZUFDNULJPXMV-GXSJLCMTSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[N@@H+](CC2CCC2)CC[C@H]1N 251878101 351837063 /nfs/dbraw/zinc/83/70/63/351837063.db2.gz UNZUFDNULJPXMV-GXSJLCMTSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1CN(CC2CCC2)CC[C@H]1[NH3+] 251878101 351837067 /nfs/dbraw/zinc/83/70/67/351837067.db2.gz UNZUFDNULJPXMV-GXSJLCMTSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1CCC[N@H+](CCCN)[C@H]1C 252111013 351837092 /nfs/dbraw/zinc/83/70/92/351837092.db2.gz HTNLWEMPQBLJFA-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1CCC[N@@H+](CCCN)[C@H]1C 252111013 351837095 /nfs/dbraw/zinc/83/70/95/351837095.db2.gz HTNLWEMPQBLJFA-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1[C@H](C)CCC[N@@H+]1CCCN 252111015 351837128 /nfs/dbraw/zinc/83/71/28/351837128.db2.gz HTNLWEMPQBLJFA-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1[C@H](C)CCC[N@H+]1CCCN 252111015 351837133 /nfs/dbraw/zinc/83/71/33/351837133.db2.gz HTNLWEMPQBLJFA-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1C[N@@H+](CC2CCCC2)CC[C@H]1N 251919480 351837352 /nfs/dbraw/zinc/83/73/52/351837352.db2.gz XVZBRRXQEHYWAD-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CN(CC2CCCC2)CC[C@H]1[NH3+] 251919480 351837356 /nfs/dbraw/zinc/83/73/56/351837356.db2.gz XVZBRRXQEHYWAD-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[N@H+](CC2CCCC2)CC[C@H]1N 251919483 351837367 /nfs/dbraw/zinc/83/73/67/351837367.db2.gz XVZBRRXQEHYWAD-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@H]1N 251919483 351837370 /nfs/dbraw/zinc/83/73/70/351837370.db2.gz XVZBRRXQEHYWAD-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CN(CC2CCCC2)CC[C@H]1[NH3+] 251919483 351837373 /nfs/dbraw/zinc/83/73/73/351837373.db2.gz XVZBRRXQEHYWAD-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[N@H+](CC2CCC2)CC[C@H]1N 251878102 351837550 /nfs/dbraw/zinc/83/75/50/351837550.db2.gz UNZUFDNULJPXMV-MWLCHTKSSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[N@@H+](CC2CCC2)CC[C@H]1N 251878102 351837552 /nfs/dbraw/zinc/83/75/52/351837552.db2.gz UNZUFDNULJPXMV-MWLCHTKSSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1CN(CC2CCC2)CC[C@H]1[NH3+] 251878102 351837553 /nfs/dbraw/zinc/83/75/53/351837553.db2.gz UNZUFDNULJPXMV-MWLCHTKSSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 252220433 351837747 /nfs/dbraw/zinc/83/77/47/351837747.db2.gz YWPPMDPWTSYSBW-MNOVXSKESA-N 1 3 182.311 1.470 20 0 ADADHO C[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 252220433 351837751 /nfs/dbraw/zinc/83/77/51/351837751.db2.gz YWPPMDPWTSYSBW-MNOVXSKESA-N 1 3 182.311 1.470 20 0 ADADHO C[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 252220434 351837912 /nfs/dbraw/zinc/83/79/12/351837912.db2.gz YWPPMDPWTSYSBW-QWRGUYRKSA-N 1 3 182.311 1.470 20 0 ADADHO C[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 252220434 351837916 /nfs/dbraw/zinc/83/79/16/351837916.db2.gz YWPPMDPWTSYSBW-QWRGUYRKSA-N 1 3 182.311 1.470 20 0 ADADHO CCC[N@@H+]1C[C@@H](CN)C[C@H]1C 252696683 351841735 /nfs/dbraw/zinc/84/17/35/351841735.db2.gz BUVQUKHHEPZITI-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO CCC[N@H+]1C[C@@H](CN)C[C@H]1C 252696683 351841737 /nfs/dbraw/zinc/84/17/37/351841737.db2.gz BUVQUKHHEPZITI-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO CC(C)C[NH2+][C@H]1CCN2CCC[C@H]2C1 252673249 351841927 /nfs/dbraw/zinc/84/19/27/351841927.db2.gz HWSJFEIZZOIICO-RYUDHWBXSA-N 1 3 196.338 1.859 20 0 ADADHO CCC[N@@H+]1C[C@H](CN)C[C@H]1C 252696682 351842032 /nfs/dbraw/zinc/84/20/32/351842032.db2.gz BUVQUKHHEPZITI-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO CCC[N@H+]1C[C@H](CN)C[C@H]1C 252696682 351842035 /nfs/dbraw/zinc/84/20/35/351842035.db2.gz BUVQUKHHEPZITI-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 252673248 351842119 /nfs/dbraw/zinc/84/21/19/351842119.db2.gz HWSJFEIZZOIICO-NEPJUHHUSA-N 1 3 196.338 1.859 20 0 ADADHO C[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1 253119758 351844418 /nfs/dbraw/zinc/84/44/18/351844418.db2.gz HRZOPSOQPPJMER-XYPYZODXSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1C[N@@H+](CCCN)CC[C@H]1C 253080240 351844508 /nfs/dbraw/zinc/84/45/08/351844508.db2.gz VHJYFVIAWPFZFU-NXEZZACHSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@@H]1C[N@H+](CCCN)CC[C@H]1C 253080240 351844514 /nfs/dbraw/zinc/84/45/14/351844514.db2.gz VHJYFVIAWPFZFU-NXEZZACHSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@@H]1CN(CCC[NH3+])CC[C@H]1C 253080240 351844517 /nfs/dbraw/zinc/84/45/17/351844517.db2.gz VHJYFVIAWPFZFU-NXEZZACHSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@H]1CC[N@H+](CC2CCC2)C[C@H]1CN 253177391 351844689 /nfs/dbraw/zinc/84/46/89/351844689.db2.gz AWNSMWCJMSQRFA-CMPLNLGQSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1CN 253177391 351844692 /nfs/dbraw/zinc/84/46/92/351844692.db2.gz AWNSMWCJMSQRFA-CMPLNLGQSA-N 1 3 196.338 1.703 20 0 ADADHO CC(C)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 253184457 351844715 /nfs/dbraw/zinc/84/47/15/351844715.db2.gz HKZKKKYKHLXWEM-NXEZZACHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)[N@H+]1CC[C@@H](C)[C@H](CN)C1 253184457 351844718 /nfs/dbraw/zinc/84/47/18/351844718.db2.gz HKZKKKYKHLXWEM-NXEZZACHSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)N1CC[C@@H](C)[C@H](C[NH3+])C1 253184457 351844719 /nfs/dbraw/zinc/84/47/19/351844719.db2.gz HKZKKKYKHLXWEM-NXEZZACHSA-N 1 3 170.300 1.312 20 0 ADADHO C[C@H]1CC[N@@H+](CC2CC2)C[C@H]1CN 253177099 351844750 /nfs/dbraw/zinc/84/47/50/351844750.db2.gz ARGFZDALFCWLTN-GXSJLCMTSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@H]1CC[N@H+](CC2CC2)C[C@H]1CN 253177099 351844746 /nfs/dbraw/zinc/84/47/46/351844746.db2.gz ARGFZDALFCWLTN-GXSJLCMTSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1CN 253177392 351844758 /nfs/dbraw/zinc/84/47/58/351844758.db2.gz AWNSMWCJMSQRFA-ZYHUDNBSSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1CN 253177392 351844760 /nfs/dbraw/zinc/84/47/60/351844760.db2.gz AWNSMWCJMSQRFA-ZYHUDNBSSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@@H]1CC[N@H+](CC2CC2)C[C@H]1CN 253177100 351844808 /nfs/dbraw/zinc/84/48/08/351844808.db2.gz ARGFZDALFCWLTN-MWLCHTKSSA-N 1 3 182.311 1.313 20 0 ADADHO C[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1CN 253177100 351844810 /nfs/dbraw/zinc/84/48/10/351844810.db2.gz ARGFZDALFCWLTN-MWLCHTKSSA-N 1 3 182.311 1.313 20 0 ADADHO CC(C)[N@@H+]1CC[C@H](C)[C@H](CN)C1 253184458 351844860 /nfs/dbraw/zinc/84/48/60/351844860.db2.gz HKZKKKYKHLXWEM-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)[N@H+]1CC[C@H](C)[C@H](CN)C1 253184458 351844864 /nfs/dbraw/zinc/84/48/64/351844864.db2.gz HKZKKKYKHLXWEM-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)N1CC[C@H](C)[C@H](C[NH3+])C1 253184458 351844867 /nfs/dbraw/zinc/84/48/67/351844867.db2.gz HKZKKKYKHLXWEM-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@@H+]1CC[C@H](C)[C@H](CN)C1 253202677 351845244 /nfs/dbraw/zinc/84/52/44/351845244.db2.gz DBOPDWHZXWABLL-WDEREUQCSA-N 1 3 184.327 1.559 20 0 ADADHO CC(C)C[N@H+]1CC[C@H](C)[C@H](CN)C1 253202677 351845249 /nfs/dbraw/zinc/84/52/49/351845249.db2.gz DBOPDWHZXWABLL-WDEREUQCSA-N 1 3 184.327 1.559 20 0 ADADHO CC(C)C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 253202675 351845426 /nfs/dbraw/zinc/84/54/26/351845426.db2.gz DBOPDWHZXWABLL-GHMZBOCLSA-N 1 3 184.327 1.559 20 0 ADADHO CC(C)C[N@H+]1CC[C@@H](C)[C@H](CN)C1 253202675 351845430 /nfs/dbraw/zinc/84/54/30/351845430.db2.gz DBOPDWHZXWABLL-GHMZBOCLSA-N 1 3 184.327 1.559 20 0 ADADHO CN1CC=C(C[NH2+]C2CCCC2)CC1 257942870 351855372 /nfs/dbraw/zinc/85/53/72/351855372.db2.gz DRFSZBNGZPXMNF-UHFFFAOYSA-N 1 3 194.322 1.781 20 0 ADADHO CC1(F)CCN(CCC[NH3+])CC1 258147199 351859726 /nfs/dbraw/zinc/85/97/26/351859726.db2.gz RQLDIEFARMOXCC-UHFFFAOYSA-N 1 3 174.263 1.159 20 0 ADADHO CC(C)CC1(N(C)C)CC[NH2+]CC1 258674224 351865757 /nfs/dbraw/zinc/86/57/57/351865757.db2.gz UFOQYFUQCGMJTN-UHFFFAOYSA-N 1 3 184.327 1.716 20 0 ADADHO [NH3+]CCCN1CCCC(F)(F)CC1 259793756 351879515 /nfs/dbraw/zinc/87/95/15/351879515.db2.gz RKGPQPHVFFGFDP-UHFFFAOYSA-N 1 3 192.253 1.456 20 0 ADADHO CC(C)CCN1C[C@@H]([NH3+])[C@H](C)C1 300046969 351894928 /nfs/dbraw/zinc/89/49/28/351894928.db2.gz BMXGQBNZKQIZNE-NXEZZACHSA-N 1 3 170.300 1.312 20 0 ADADHO C[C@@H]1CN(CCC(C)(C)C)C[C@H]1[NH3+] 300049996 351895173 /nfs/dbraw/zinc/89/51/73/351895173.db2.gz WFNIMBXNGLQLBR-NXEZZACHSA-N 1 3 184.327 1.702 20 0 ADADHO C[C@@H]1CN(CC2CCCCC2)C[C@H]1[NH3+] 300049928 351895104 /nfs/dbraw/zinc/89/51/04/351895104.db2.gz VMRDEZNODQHRFU-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO CC(C)CCN1C[C@H](C)[C@H]([NH3+])C1 300046970 351895142 /nfs/dbraw/zinc/89/51/42/351895142.db2.gz BMXGQBNZKQIZNE-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO C[C@@H]1CN(CC2CCC2)C[C@H]1[NH3+] 300050126 351895158 /nfs/dbraw/zinc/89/51/58/351895158.db2.gz XJYRTBKXYDPYQL-PSASIEDQSA-N 1 3 168.284 1.066 20 0 ADADHO C[C@@H]1CN(CC2CCCC2)C[C@H]1[NH3+] 300049414 351895200 /nfs/dbraw/zinc/89/52/00/351895200.db2.gz RNMZRCMRGDEUIE-MWLCHTKSSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1CN(CCC2CCCC2)C[C@@H]1[NH3+] 300744055 351896685 /nfs/dbraw/zinc/89/66/85/351896685.db2.gz JAFNMTLRISOJBA-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CN(CCC2CCCC2)C[C@H]1[NH3+] 300744057 351896728 /nfs/dbraw/zinc/89/67/28/351896728.db2.gz JAFNMTLRISOJBA-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO CC(C)C[NH2+][C@H]1CCNCC1(C)C 300837621 351897286 /nfs/dbraw/zinc/89/72/86/351897286.db2.gz LMPGXFMAESHXNE-JTQLQIEISA-N 1 3 184.327 1.620 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCNCC1(C)C 300837623 351897474 /nfs/dbraw/zinc/89/74/74/351897474.db2.gz LMPGXFMAESHXNE-SNVBAGLBSA-N 1 3 184.327 1.620 20 0 ADADHO CC(C)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 306236698 351911081 /nfs/dbraw/zinc/91/10/81/351911081.db2.gz OWGVDXWRQJIGBB-MNOVXSKESA-N 1 3 182.311 1.184 20 0 ADADHO CC(C)CN1CC[C@H]2C[NH2+]C[C@H]2C1 306236700 351911256 /nfs/dbraw/zinc/91/12/56/351911256.db2.gz OWGVDXWRQJIGBB-QWRGUYRKSA-N 1 3 182.311 1.184 20 0 ADADHO CC(C)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 306236696 351911268 /nfs/dbraw/zinc/91/12/68/351911268.db2.gz OWGVDXWRQJIGBB-GHMZBOCLSA-N 1 3 182.311 1.184 20 0 ADADHO CC(C)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 306236702 351911359 /nfs/dbraw/zinc/91/13/59/351911359.db2.gz OWGVDXWRQJIGBB-WDEREUQCSA-N 1 3 182.311 1.184 20 0 ADADHO C[C@@H]1CCSCCN1CCC[NH3+] 306643553 351953011 /nfs/dbraw/zinc/95/30/11/351953011.db2.gz XAKWKPAUVJRROA-SECBINFHSA-N 1 3 188.340 1.163 20 0 ADADHO C[C@@H]1CCSCC[N@@H+]1CCCN 306643553 351953012 /nfs/dbraw/zinc/95/30/12/351953012.db2.gz XAKWKPAUVJRROA-SECBINFHSA-N 1 3 188.340 1.163 20 0 ADADHO C[C@@H]1CCSCC[N@H+]1CCCN 306643553 351953013 /nfs/dbraw/zinc/95/30/13/351953013.db2.gz XAKWKPAUVJRROA-SECBINFHSA-N 1 3 188.340 1.163 20 0 ADADHO C[C@H]1C[C@H]([NH3+])CN1CCC1CCC1 306862020 351969795 /nfs/dbraw/zinc/96/97/95/351969795.db2.gz HUKJJPPNWPGVFE-ONGXEEELSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@H]1C[C@@H]([NH3+])CN1CCC1CCC1 306862016 351969877 /nfs/dbraw/zinc/96/98/77/351969877.db2.gz HUKJJPPNWPGVFE-GXSJLCMTSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@@H]1C[C@H]([NH3+])CN1CCC1CCC1 306862017 351969980 /nfs/dbraw/zinc/96/99/80/351969980.db2.gz HUKJJPPNWPGVFE-KOLCDFICSA-N 1 3 182.311 1.598 20 0 ADADHO C[C@@H]1C[C@@H]([NH3+])CN1CCC1CCC1 306862019 351970025 /nfs/dbraw/zinc/97/00/25/351970025.db2.gz HUKJJPPNWPGVFE-MWLCHTKSSA-N 1 3 182.311 1.598 20 0 ADADHO CC(C)([NH3+])CN1CC[C@@H](C2CC2)C1 306886704 351971658 /nfs/dbraw/zinc/97/16/58/351971658.db2.gz PTKMYVHUJAIJOM-SNVBAGLBSA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)([NH3+])CN1CC[C@H](C2CC2)C1 306886703 351971766 /nfs/dbraw/zinc/97/17/66/351971766.db2.gz PTKMYVHUJAIJOM-JTQLQIEISA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1CC1 307013441 351981152 /nfs/dbraw/zinc/98/11/52/351981152.db2.gz NTKBYIFFYBQNQW-WPRPVWTQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@H]1NCC1CC1 307013439 351981217 /nfs/dbraw/zinc/98/12/17/351981217.db2.gz NTKBYIFFYBQNQW-WCBMZHEXSA-N 1 3 168.284 1.127 20 0 ADADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 307046848 351983201 /nfs/dbraw/zinc/98/32/01/351983201.db2.gz YVKVSFLSKAOSQU-MXWKQRLJSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 307046847 351983246 /nfs/dbraw/zinc/98/32/46/351983246.db2.gz YVKVSFLSKAOSQU-GMTAPVOTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1[C@H]([NH3+])CCN1CC1CCCCC1 307158928 351991265 /nfs/dbraw/zinc/99/12/65/351991265.db2.gz TZCUWYDYADAAIM-ZYHUDNBSSA-N 1 3 196.338 1.988 20 0 ADADHO CC(C)([NH3+])CN[C@@H]1CCC1(C)C 307160546 351991276 /nfs/dbraw/zinc/99/12/76/351991276.db2.gz WKQNYFORORWEMJ-MRVPVSSYSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@@H]1[C@@H]([NH3+])CCN1CC1CCCCC1 307158927 351991323 /nfs/dbraw/zinc/99/13/23/351991323.db2.gz TZCUWYDYADAAIM-PWSUYJOCSA-N 1 3 196.338 1.988 20 0 ADADHO CC(C)([NH3+])CN[C@H]1CCC1(C)C 307160547 351991447 /nfs/dbraw/zinc/99/14/47/351991447.db2.gz WKQNYFORORWEMJ-QMMMGPOBSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@@H]1[C@@H]([NH3+])CCN1CCC(C)(C)C 307258651 351998787 /nfs/dbraw/zinc/99/87/87/351998787.db2.gz CHIGFGYUUWQJIS-ZJUUUORDSA-N 1 3 184.327 1.844 20 0 ADADHO C[C@@H]1[C@H]([NH3+])CCN1CCC(C)(C)C 307258648 351998944 /nfs/dbraw/zinc/99/89/44/351998944.db2.gz CHIGFGYUUWQJIS-NXEZZACHSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)CCN1C[C@H]([NH3+])C[C@H]1C 307386164 352009098 /nfs/dbraw/zinc/00/90/98/352009098.db2.gz LIEAOSKOSHNQIB-NXEZZACHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)([NH3+])CN1C[C@H]2[C@@H](C1)C2(C)C 307388934 352009178 /nfs/dbraw/zinc/00/91/78/352009178.db2.gz PGJXNTODAZGCSY-DTORHVGOSA-N 1 3 182.311 1.312 20 0 ADADHO CC(C)CCN1C[C@H]([NH3+])C[C@@H]1C 307386166 352009193 /nfs/dbraw/zinc/00/91/93/352009193.db2.gz LIEAOSKOSHNQIB-VHSXEESVSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)CCN1C[C@@H]([NH3+])C[C@@H]1C 307386165 352009201 /nfs/dbraw/zinc/00/92/01/352009201.db2.gz LIEAOSKOSHNQIB-UWVGGRQHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)CCN1C[C@@H]([NH3+])C[C@H]1C 307386168 352009317 /nfs/dbraw/zinc/00/93/17/352009317.db2.gz LIEAOSKOSHNQIB-ZJUUUORDSA-N 1 3 170.300 1.454 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1(C)CCC1 307406967 352010206 /nfs/dbraw/zinc/01/02/06/352010206.db2.gz GKYWBFKMLVFPDY-QWRGUYRKSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)(N)C[N@@H+]1CCCC2(CC2)C1 307435806 352013434 /nfs/dbraw/zinc/01/34/34/352013434.db2.gz SHWKKCVNQSYSJS-UHFFFAOYSA-N 1 3 182.311 1.600 20 0 ADADHO CC(C)(N)C[N@H+]1CCCC2(CC2)C1 307435806 352013438 /nfs/dbraw/zinc/01/34/38/352013438.db2.gz SHWKKCVNQSYSJS-UHFFFAOYSA-N 1 3 182.311 1.600 20 0 ADADHO C[C@H]1C[C@@H]([NH3+])CN1CCC1CCCC1 307593154 352024250 /nfs/dbraw/zinc/02/42/50/352024250.db2.gz IQZMOFYBSWLICM-CMPLNLGQSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@H]1C[C@H]([NH3+])CN1CCC1CCCC1 307593163 352024288 /nfs/dbraw/zinc/02/42/88/352024288.db2.gz IQZMOFYBSWLICM-JQWIXIFHSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@H]([NH3+])CN1CCC1CCCC1 307593172 352024388 /nfs/dbraw/zinc/02/43/88/352024388.db2.gz IQZMOFYBSWLICM-PWSUYJOCSA-N 1 3 196.338 1.988 20 0 ADADHO C[C@@H]1C[C@@H]([NH3+])CN1CCC1CCCC1 307593182 352024463 /nfs/dbraw/zinc/02/44/63/352024463.db2.gz IQZMOFYBSWLICM-ZYHUDNBSSA-N 1 3 196.338 1.988 20 0 ADADHO CC[C@@H](C)CN1CC[C@@]2(CC[NH2+]C2)C1 307598971 352025015 /nfs/dbraw/zinc/02/50/15/352025015.db2.gz PMCSCTRHPLHUMT-VXGBXAGGSA-N 1 3 196.338 1.718 20 0 ADADHO CC[C@@H](C)CN1CC[C@]2(CC[NH2+]C2)C1 307598968 352025162 /nfs/dbraw/zinc/02/51/62/352025162.db2.gz PMCSCTRHPLHUMT-NEPJUHHUSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1CCCC[N@H+](CCCN)C1 334833897 352083517 /nfs/dbraw/zinc/08/35/17/352083517.db2.gz VRCYPEGZPXCAAA-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO C[C@@H]1CCCC[N@@H+](CCCN)C1 334833897 352083519 /nfs/dbraw/zinc/08/35/19/352083519.db2.gz VRCYPEGZPXCAAA-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO CC(C)C[NH2+][C@H]1CCNCC[C@@H]1C 335037699 352087551 /nfs/dbraw/zinc/08/75/51/352087551.db2.gz DOCBSEGHALXBJM-QWRGUYRKSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(C)CC1 335032487 352087576 /nfs/dbraw/zinc/08/75/76/352087576.db2.gz LOBFBBDLEQDPAE-GHMZBOCLSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCNCC[C@H]1C 335037697 352087616 /nfs/dbraw/zinc/08/76/16/352087616.db2.gz DOCBSEGHALXBJM-GHMZBOCLSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@@H]1CC[NH2+]C[C@H]1NCC1(C)CC1 335030414 352087707 /nfs/dbraw/zinc/08/77/07/352087707.db2.gz CSAPIAWKCMPTRI-NXEZZACHSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCCC1 335037296 352087757 /nfs/dbraw/zinc/08/77/57/352087757.db2.gz CAJZMCNMCTXEML-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(C)CC1 335032489 352087792 /nfs/dbraw/zinc/08/77/92/352087792.db2.gz LOBFBBDLEQDPAE-MNOVXSKESA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCC1 335035260 352087803 /nfs/dbraw/zinc/08/78/03/352087803.db2.gz TUMCMVUQLFKGEI-PWSUYJOCSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)C[NH2+][C@H]1CCNCC[C@H]1C 335037698 352087829 /nfs/dbraw/zinc/08/78/29/352087829.db2.gz DOCBSEGHALXBJM-MNOVXSKESA-N 1 3 184.327 1.620 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCNCC[C@@H]1C 335037700 352087866 /nfs/dbraw/zinc/08/78/66/352087866.db2.gz DOCBSEGHALXBJM-WDEREUQCSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCC1 335035261 352087908 /nfs/dbraw/zinc/08/79/08/352087908.db2.gz TUMCMVUQLFKGEI-ZYHUDNBSSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC1(C)CC1 335030432 352087986 /nfs/dbraw/zinc/08/79/86/352087986.db2.gz CSAPIAWKCMPTRI-ZJUUUORDSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CC1 335042631 352088448 /nfs/dbraw/zinc/08/84/48/352088448.db2.gz UCLCRPZDNJHVCU-SCZZXKLOSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCC1 335043078 352088411 /nfs/dbraw/zinc/08/84/11/352088411.db2.gz MRHNOYMOYIWVNB-SCZZXKLOSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC1CC1 335042631 352088451 /nfs/dbraw/zinc/08/84/51/352088451.db2.gz UCLCRPZDNJHVCU-SCZZXKLOSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCC1 335043083 352088523 /nfs/dbraw/zinc/08/85/23/352088523.db2.gz MRRDWHYJRQMFTQ-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCC1 335043077 352088562 /nfs/dbraw/zinc/08/85/62/352088562.db2.gz MRHNOYMOYIWVNB-PSASIEDQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CC1 335042629 352088641 /nfs/dbraw/zinc/08/86/41/352088641.db2.gz UCLCRPZDNJHVCU-PSASIEDQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1CC[NH2+]CC[C@H]1NC1CC1 335042629 352088643 /nfs/dbraw/zinc/08/86/43/352088643.db2.gz UCLCRPZDNJHVCU-PSASIEDQSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+]C1(C)CCNCC1 335173553 352089851 /nfs/dbraw/zinc/08/98/51/352089851.db2.gz RXYVAMODCZFHDZ-NXEZZACHSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1C[C@H]1C[NH2+]C1(C)CCNCC1 335173556 352089854 /nfs/dbraw/zinc/08/98/54/352089854.db2.gz RXYVAMODCZFHDZ-ZJUUUORDSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1CCC[C@@H](C)[N@H+](CCCN)C1 335257360 352092846 /nfs/dbraw/zinc/09/28/46/352092846.db2.gz OYGHLBRVRXTUCD-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO C[C@@H]1CCC[C@@H](C)[N@@H+](CCCN)C1 335257360 352092848 /nfs/dbraw/zinc/09/28/48/352092848.db2.gz OYGHLBRVRXTUCD-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CNC1 335461698 352099819 /nfs/dbraw/zinc/09/98/19/352099819.db2.gz KVIRZQNUDMIEEH-ONGXEEELSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CC1 335488886 352100421 /nfs/dbraw/zinc/10/04/21/352100421.db2.gz RFRYNHLHUGSVRP-MWLCHTKSSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CC1 335488885 352100434 /nfs/dbraw/zinc/10/04/34/352100434.db2.gz RFRYNHLHUGSVRP-KOLCDFICSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1CCCC[C@H]1[NH2+]CC1CNC1 335553015 352102784 /nfs/dbraw/zinc/10/27/84/352102784.db2.gz RTMBUFKDQVBZRQ-MWLCHTKSSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1CNC1 335551960 352102814 /nfs/dbraw/zinc/10/28/14/352102814.db2.gz MHEKJJIMAMDJME-NXEZZACHSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]1CCCC[C@@H]1[NH2+]CC1CNC1 335553014 352102842 /nfs/dbraw/zinc/10/28/42/352102842.db2.gz RTMBUFKDQVBZRQ-KOLCDFICSA-N 1 3 182.311 1.374 20 0 ADADHO CC(C)C1CC(N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 335559705 352103383 /nfs/dbraw/zinc/10/33/83/352103383.db2.gz GICGKYKHKNWWJJ-UIXRGBAFSA-N 1 3 194.322 1.228 20 0 ADADHO CC(C)=CCN[C@H]1CC[NH2+]CC[C@H]1C 335596963 352105948 /nfs/dbraw/zinc/10/59/48/352105948.db2.gz FEQIXUHTVRSKOV-NEPJUHHUSA-N 1 3 196.338 1.930 20 0 ADADHO CC(C)=CCN[C@H]1CC[NH2+]CC[C@@H]1C 335596965 352106018 /nfs/dbraw/zinc/10/60/18/352106018.db2.gz FEQIXUHTVRSKOV-RYUDHWBXSA-N 1 3 196.338 1.930 20 0 ADADHO CC(C)([NH3+])CN[C@@H]1CCC12CCC2 335600470 352106095 /nfs/dbraw/zinc/10/60/95/352106095.db2.gz ZALXKYJSAJKLDV-SECBINFHSA-N 1 3 182.311 1.646 20 0 ADADHO CC(C)([NH3+])CN[C@H]1CCC12CCC2 335600471 352106133 /nfs/dbraw/zinc/10/61/33/352106133.db2.gz ZALXKYJSAJKLDV-VIFPVBQESA-N 1 3 182.311 1.646 20 0 ADADHO CC(C)=CCN[C@@H]1CC[NH2+]CC[C@H]1C 335596966 352106417 /nfs/dbraw/zinc/10/64/17/352106417.db2.gz FEQIXUHTVRSKOV-VXGBXAGGSA-N 1 3 196.338 1.930 20 0 ADADHO C[C@@H]1C[C@@H]([NH2+]CC2CC2)CCN1 335640608 352107223 /nfs/dbraw/zinc/10/72/23/352107223.db2.gz OKIIIDZHPNAMDH-SCZZXKLOSA-N 1 3 168.284 1.127 20 0 ADADHO CC(C)CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 335654530 352107413 /nfs/dbraw/zinc/10/74/13/352107413.db2.gz OIQHVTUOWCMBTG-ZACCUICWSA-N 1 3 182.311 1.515 20 0 ADADHO C[C@@H]1C[C@H]([NH2+]CC2CC2)CCN1 335640607 352107473 /nfs/dbraw/zinc/10/74/73/352107473.db2.gz OKIIIDZHPNAMDH-PSASIEDQSA-N 1 3 168.284 1.127 20 0 ADADHO CC(C)C[NH2+][C@H]1CCNC1(C)C 335646118 352107540 /nfs/dbraw/zinc/10/75/40/352107540.db2.gz LRKBWIHOTJSTRU-VIFPVBQESA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)C[NH2+][C@@H]1CCNC1(C)C 335646117 352107769 /nfs/dbraw/zinc/10/77/69/352107769.db2.gz LRKBWIHOTJSTRU-SECBINFHSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)(C)C[NH2+][C@H]1CCNC12CCC2 530177155 352187277 /nfs/dbraw/zinc/18/72/77/352187277.db2.gz HVHQIBXMSDVXLW-JTQLQIEISA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)(C)C[NH2+][C@@H]1CCNC12CCC2 530177156 352187301 /nfs/dbraw/zinc/18/73/01/352187301.db2.gz HVHQIBXMSDVXLW-SNVBAGLBSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+]CC1CC=CC1)C1CNC1 530215470 352187537 /nfs/dbraw/zinc/18/75/37/352187537.db2.gz GNXROHUPBMVUCS-SECBINFHSA-N 1 3 180.295 1.150 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CC1CC=CC1 530219147 352187653 /nfs/dbraw/zinc/18/76/53/352187653.db2.gz ZFCAPSHJFNAEMK-ZJUUUORDSA-N 1 3 182.311 1.668 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CC1CC=CC1 530219146 352187825 /nfs/dbraw/zinc/18/78/25/352187825.db2.gz ZFCAPSHJFNAEMK-VHSXEESVSA-N 1 3 182.311 1.668 20 0 ADADHO C[C@@H](NCC1CC=CC1)[C@@H]1CCC[NH2+]1 530215927 352187837 /nfs/dbraw/zinc/18/78/37/352187837.db2.gz KKQBDBJANMZRFD-PWSUYJOCSA-N 1 3 194.322 1.683 20 0 ADADHO C[C@@H]([NH2+]CC1CC=CC1)[C@@H]1CCCN1 530215927 352187840 /nfs/dbraw/zinc/18/78/40/352187840.db2.gz KKQBDBJANMZRFD-PWSUYJOCSA-N 1 3 194.322 1.683 20 0 ADADHO NC[C@H]1CCC[C@H]1[NH2+]CC1CC=CC1 530215918 352187897 /nfs/dbraw/zinc/18/78/97/352187897.db2.gz KGZBLQSPAOHIOS-VXGBXAGGSA-N 1 3 194.322 1.670 20 0 ADADHO C[C@H](NCC1CC=CC1)[C@H]1CCC[NH2+]1 530215925 352187932 /nfs/dbraw/zinc/18/79/32/352187932.db2.gz KKQBDBJANMZRFD-CMPLNLGQSA-N 1 3 194.322 1.683 20 0 ADADHO C[C@H]([NH2+]CC1CC=CC1)[C@H]1CCCN1 530215925 352187934 /nfs/dbraw/zinc/18/79/34/352187934.db2.gz KKQBDBJANMZRFD-CMPLNLGQSA-N 1 3 194.322 1.683 20 0 ADADHO N[C@H]1CCC[C@@H]([NH2+]CC2CC=CC2)C1 530219157 352187964 /nfs/dbraw/zinc/18/79/64/352187964.db2.gz ZHKDXEDHYXRPCF-NWDGAFQWSA-N 1 3 194.322 1.812 20 0 ADADHO C[C@H](NCC1CC=CC1)[C@@H]1CCC[NH2+]1 530215926 352188025 /nfs/dbraw/zinc/18/80/25/352188025.db2.gz KKQBDBJANMZRFD-JQWIXIFHSA-N 1 3 194.322 1.683 20 0 ADADHO C[C@H]([NH2+]CC1CC=CC1)[C@@H]1CCCN1 530215926 352188028 /nfs/dbraw/zinc/18/80/28/352188028.db2.gz KKQBDBJANMZRFD-JQWIXIFHSA-N 1 3 194.322 1.683 20 0 ADADHO C[C@@H](NCC1CC=CC1)[C@H]1CCC[NH2+]1 530215928 352188067 /nfs/dbraw/zinc/18/80/67/352188067.db2.gz KKQBDBJANMZRFD-ZYHUDNBSSA-N 1 3 194.322 1.683 20 0 ADADHO C[C@@H]([NH2+]CC1CC=CC1)[C@H]1CCCN1 530215928 352188070 /nfs/dbraw/zinc/18/80/70/352188070.db2.gz KKQBDBJANMZRFD-ZYHUDNBSSA-N 1 3 194.322 1.683 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CC=CC1 530219143 352188091 /nfs/dbraw/zinc/18/80/91/352188091.db2.gz ZFCAPSHJFNAEMK-NXEZZACHSA-N 1 3 182.311 1.668 20 0 ADADHO C[C@H]([NH2+]CC1CC=CC1)C1CNC1 530215471 352188161 /nfs/dbraw/zinc/18/81/61/352188161.db2.gz GNXROHUPBMVUCS-VIFPVBQESA-N 1 3 180.295 1.150 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1CC=CC1 530215916 352188224 /nfs/dbraw/zinc/18/82/24/352188224.db2.gz KGZBLQSPAOHIOS-NWDGAFQWSA-N 1 3 194.322 1.670 20 0 ADADHO CC(C)CC1([NH+]2CCC2)CCNCC1 536952201 352190736 /nfs/dbraw/zinc/19/07/36/352190736.db2.gz BDOAMKVVBJEKOC-UHFFFAOYSA-N 1 3 196.338 1.860 20 0 ADADHO CC(C)CC1(N2CCC2)CC[NH2+]CC1 536952201 352190738 /nfs/dbraw/zinc/19/07/38/352190738.db2.gz BDOAMKVVBJEKOC-UHFFFAOYSA-N 1 3 196.338 1.860 20 0 ADADHO C1C[NH+](C2(C3CC3)CCNCC2)C1 536952944 352191360 /nfs/dbraw/zinc/19/13/60/352191360.db2.gz FTEJRAWKKZQWEL-UHFFFAOYSA-N 1 3 180.295 1.224 20 0 ADADHO C1CN(C2(C3CC3)CC[NH2+]CC2)C1 536952944 352191362 /nfs/dbraw/zinc/19/13/62/352191362.db2.gz FTEJRAWKKZQWEL-UHFFFAOYSA-N 1 3 180.295 1.224 20 0 ADADHO CC(C)N1C[C@]2(C)C[NH2+]C[C@]2(C)C1 536953657 352191965 /nfs/dbraw/zinc/19/19/65/352191965.db2.gz ITOBRGQCGSCTER-PHIMTYICSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@]12C[NH2+]C[C@@]1(C)CN(C1CC1)C2 536954854 352192704 /nfs/dbraw/zinc/19/27/04/352192704.db2.gz MZIKCIAWYHYPCK-QWRGUYRKSA-N 1 3 180.295 1.080 20 0 ADADHO C[C@]12C[NH2+]C[C@]1(C)CN(C1CC1)C2 536954851 352192758 /nfs/dbraw/zinc/19/27/58/352192758.db2.gz MZIKCIAWYHYPCK-GHMZBOCLSA-N 1 3 180.295 1.080 20 0 ADADHO C[C@@]12C[NH2+]C[C@]1(C)CN(C1CC1)C2 536954852 352192783 /nfs/dbraw/zinc/19/27/83/352192783.db2.gz MZIKCIAWYHYPCK-PHIMTYICSA-N 1 3 180.295 1.080 20 0 ADADHO NCc1ccccc1-[n+]1ccccc1 575442133 352205846 /nfs/dbraw/zinc/20/58/46/352205846.db2.gz LNTITFDVDKGRIU-UHFFFAOYSA-N 1 3 185.250 1.422 20 0 ADADHO NCc1cccc(-[n+]2ccccc2)c1 575442490 352206075 /nfs/dbraw/zinc/20/60/75/352206075.db2.gz VXCHWXPVVFHKKN-UHFFFAOYSA-N 1 3 185.250 1.422 20 0 ADADHO CC1C[C@@H]2CC[C@H](C1)N2CC[NH3+] 575478646 352296663 /nfs/dbraw/zinc/29/66/63/352296663.db2.gz IVSWIGPIFAZZBY-PBINXNQUSA-N 1 3 168.284 1.208 20 0 ADADHO C1C[C@H]([NH2+][C@H]2CCNC2)[C@H]2C[C@H]2C1 575488677 352349745 /nfs/dbraw/zinc/34/97/45/352349745.db2.gz PTNQVYOCOBEPDD-RCWTZXSCSA-N 1 3 180.295 1.127 20 0 ADADHO C1C[C@H]([NH2+][C@@H]2CCNC2)[C@H]2C[C@H]2C1 575488679 352349932 /nfs/dbraw/zinc/34/99/32/352349932.db2.gz PTNQVYOCOBEPDD-ZNSHCXBVSA-N 1 3 180.295 1.127 20 0 ADADHO C1C[C@@H]2C[C@@H]2[C@H]([NH2+][C@H]2CCNC2)C1 575488678 352349995 /nfs/dbraw/zinc/34/99/95/352349995.db2.gz PTNQVYOCOBEPDD-VPOLOUISSA-N 1 3 180.295 1.127 20 0 ADADHO C1C[C@@H]2C[C@@H]2[C@H]([NH2+][C@@H]2CCNC2)C1 575488676 352350002 /nfs/dbraw/zinc/35/00/02/352350002.db2.gz PTNQVYOCOBEPDD-CHWFTXMASA-N 1 3 180.295 1.127 20 0 ADADHO CC1CC(C[NH+]2CCC(N)CC2)C1 575491561 352362891 /nfs/dbraw/zinc/36/28/91/352362891.db2.gz KXCKVDMTZPRFBA-UHFFFAOYSA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)(N)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 575498895 352397301 /nfs/dbraw/zinc/39/73/01/352397301.db2.gz ARVAZGNYROGMLY-RKDXNWHRSA-N 1 3 168.284 1.066 20 0 ADADHO CC(C)(N)C[N@H+]1CC[C@@H]2C[C@@H]2C1 575498895 352397302 /nfs/dbraw/zinc/39/73/02/352397302.db2.gz ARVAZGNYROGMLY-RKDXNWHRSA-N 1 3 168.284 1.066 20 0 ADADHO CC(C)(N)C[N@@H+]1CC[C@H]2C[C@H]2C1 575498894 352397521 /nfs/dbraw/zinc/39/75/21/352397521.db2.gz ARVAZGNYROGMLY-IUCAKERBSA-N 1 3 168.284 1.066 20 0 ADADHO CC(C)(N)C[N@H+]1CC[C@H]2C[C@H]2C1 575498894 352397523 /nfs/dbraw/zinc/39/75/23/352397523.db2.gz ARVAZGNYROGMLY-IUCAKERBSA-N 1 3 168.284 1.066 20 0 ADADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2C=CCC2)C1 575499403 352400531 /nfs/dbraw/zinc/40/05/31/352400531.db2.gz GUGYJZXKAMTMDB-VWYCJHECSA-N 1 3 180.295 1.565 20 0 ADADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2C=CCC2)C1 575499402 352400679 /nfs/dbraw/zinc/40/06/79/352400679.db2.gz GUGYJZXKAMTMDB-OUAUKWLOSA-N 1 3 180.295 1.565 20 0 ADADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C=CCC2)C1 575499400 352400714 /nfs/dbraw/zinc/40/07/14/352400714.db2.gz GUGYJZXKAMTMDB-GMTAPVOTSA-N 1 3 180.295 1.565 20 0 ADADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2C=CCC2)C1 575499401 352400841 /nfs/dbraw/zinc/40/08/41/352400841.db2.gz GUGYJZXKAMTMDB-MXWKQRLJSA-N 1 3 180.295 1.565 20 0 ADADHO C1=C[C@H](N[C@@H]2CCC[NH2+]CC2)CC1 575500135 352405576 /nfs/dbraw/zinc/40/55/76/352405576.db2.gz OODFWAKLXQAVMZ-WDEREUQCSA-N 1 3 180.295 1.437 20 0 ADADHO C1=C[C@@H](N[C@@H]2CCC[NH2+]CC2)CC1 575500131 352405593 /nfs/dbraw/zinc/40/55/93/352405593.db2.gz OODFWAKLXQAVMZ-GHMZBOCLSA-N 1 3 180.295 1.437 20 0 ADADHO C1=C[C@@H](N[C@H]2CCC[NH2+]CC2)CC1 575500133 352405598 /nfs/dbraw/zinc/40/55/98/352405598.db2.gz OODFWAKLXQAVMZ-MNOVXSKESA-N 1 3 180.295 1.437 20 0 ADADHO C1=C[C@H](N[C@H]2CCC[NH2+]CC2)CC1 575500134 352405660 /nfs/dbraw/zinc/40/56/60/352405660.db2.gz OODFWAKLXQAVMZ-QWRGUYRKSA-N 1 3 180.295 1.437 20 0 ADADHO C1=C[C@H](NC2CC[NH2+]CC2)CC1 575501169 352410402 /nfs/dbraw/zinc/41/04/02/352410402.db2.gz JNNLGZYKWJXOBC-VIFPVBQESA-N 1 3 166.268 1.047 20 0 ADADHO C1=C[C@H]([NH2+]C2CCNCC2)CC1 575501169 352410404 /nfs/dbraw/zinc/41/04/04/352410404.db2.gz JNNLGZYKWJXOBC-VIFPVBQESA-N 1 3 166.268 1.047 20 0 ADADHO C1=C[C@@H](NC2CC[NH2+]CC2)CC1 575501168 352410511 /nfs/dbraw/zinc/41/05/11/352410511.db2.gz JNNLGZYKWJXOBC-SECBINFHSA-N 1 3 166.268 1.047 20 0 ADADHO C1=C[C@@H]([NH2+]C2CCNCC2)CC1 575501168 352410513 /nfs/dbraw/zinc/41/05/13/352410513.db2.gz JNNLGZYKWJXOBC-SECBINFHSA-N 1 3 166.268 1.047 20 0 ADADHO [NH3+][C@@H]1CC[C@H](CN2CC[C@H](F)C2)C1 575518375 352502186 /nfs/dbraw/zinc/50/21/86/352502186.db2.gz USKLXICGSYVCMN-LPEHRKFASA-N 1 3 186.274 1.158 20 0 ADADHO CCCN1C[C@]2(C)C[NH2+]C[C@]2(C)C1 575539369 352599046 /nfs/dbraw/zinc/59/90/46/352599046.db2.gz VBLVRGCIHCWCFJ-PHIMTYICSA-N 1 3 182.311 1.328 20 0 ADADHO CC(C)CN1C[C@H]2C[NH2+]C[C@@]2(C)C1 575549399 352634621 /nfs/dbraw/zinc/63/46/21/352634621.db2.gz KKBJEYWSPIMSGF-MNOVXSKESA-N 1 3 182.311 1.184 20 0 ADADHO C[C@H]1C[N@@H+](C[C@@H]2CCCNC2)[C@H]1C 575583501 352793758 /nfs/dbraw/zinc/79/37/58/352793758.db2.gz LZWGEDOVQNBYFG-GARJFASQSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@@H]1C 575583508 352793685 /nfs/dbraw/zinc/79/36/85/352793685.db2.gz LZWGEDOVQNBYFG-GMTAPVOTSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)[C@@H]1C 575583508 352793687 /nfs/dbraw/zinc/79/36/87/352793687.db2.gz LZWGEDOVQNBYFG-GMTAPVOTSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)[C@@H]1C 575583508 352793688 /nfs/dbraw/zinc/79/36/88/352793688.db2.gz LZWGEDOVQNBYFG-GMTAPVOTSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@H]1[C@H](C)CN1C[C@@H]1CCC[NH2+]C1 575583723 352793706 /nfs/dbraw/zinc/79/37/06/352793706.db2.gz LZWGEDOVQNBYFG-OUAUKWLOSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@H]1[C@H](C)C[N@@H+]1C[C@@H]1CCCNC1 575583723 352793707 /nfs/dbraw/zinc/79/37/07/352793707.db2.gz LZWGEDOVQNBYFG-OUAUKWLOSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CCCNC1 575583723 352793710 /nfs/dbraw/zinc/79/37/10/352793710.db2.gz LZWGEDOVQNBYFG-OUAUKWLOSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@H]1C 575583501 352793754 /nfs/dbraw/zinc/79/37/54/352793754.db2.gz LZWGEDOVQNBYFG-GARJFASQSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@H]1C[N@H+](C[C@@H]2CCCNC2)[C@H]1C 575583501 352793756 /nfs/dbraw/zinc/79/37/56/352793756.db2.gz LZWGEDOVQNBYFG-GARJFASQSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@@H]1C 575583513 352793947 /nfs/dbraw/zinc/79/39/47/352793947.db2.gz LZWGEDOVQNBYFG-HBNTYKKESA-N 1 3 182.311 1.326 20 0 ADADHO C[C@H]1C[N@H+](C[C@@H]2CCCNC2)[C@@H]1C 575583513 352793949 /nfs/dbraw/zinc/79/39/49/352793949.db2.gz LZWGEDOVQNBYFG-HBNTYKKESA-N 1 3 182.311 1.326 20 0 ADADHO C[C@H]1C[N@@H+](C[C@@H]2CCCNC2)[C@@H]1C 575583513 352793950 /nfs/dbraw/zinc/79/39/50/352793950.db2.gz LZWGEDOVQNBYFG-HBNTYKKESA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)[C@H]1C 575584398 352796607 /nfs/dbraw/zinc/79/66/07/352796607.db2.gz PYECYYHWNBZZPM-YTWAJWBKSA-N 1 3 182.311 1.182 20 0 ADADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)[C@@H]1C 575584399 352796704 /nfs/dbraw/zinc/79/67/04/352796704.db2.gz PYECYYHWNBZZPM-ZNSHCXBVSA-N 1 3 182.311 1.182 20 0 ADADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)[C@@H]1C 575584396 352796982 /nfs/dbraw/zinc/79/69/82/352796982.db2.gz PYECYYHWNBZZPM-RCWTZXSCSA-N 1 3 182.311 1.182 20 0 ADADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)[C@H]1C 575584393 352797085 /nfs/dbraw/zinc/79/70/85/352797085.db2.gz PYECYYHWNBZZPM-DBIOUOCHSA-N 1 3 182.311 1.182 20 0 ADADHO NC1CC([NH2+][C@H]2CCCC23CC3)C1 575587175 352810983 /nfs/dbraw/zinc/81/09/83/352810983.db2.gz HIGMKXPTWFSQPQ-RTBKNWGFSA-N 1 3 180.295 1.398 20 0 ADADHO [NH3+]C1CC(N[C@H]2CCCC23CC3)C1 575587175 352810987 /nfs/dbraw/zinc/81/09/87/352810987.db2.gz HIGMKXPTWFSQPQ-RTBKNWGFSA-N 1 3 180.295 1.398 20 0 ADADHO NC1CC([NH2+][C@@H]2CCCC23CC3)C1 575587176 352811381 /nfs/dbraw/zinc/81/13/81/352811381.db2.gz HIGMKXPTWFSQPQ-UDNWOFFPSA-N 1 3 180.295 1.398 20 0 ADADHO [NH3+]C1CC(N[C@@H]2CCCC23CC3)C1 575587176 352811384 /nfs/dbraw/zinc/81/13/84/352811384.db2.gz HIGMKXPTWFSQPQ-UDNWOFFPSA-N 1 3 180.295 1.398 20 0 ADADHO C1CC[C@@H]2[C@H](C1)C[N@H+]2CC1CNC1 575595141 352853736 /nfs/dbraw/zinc/85/37/36/352853736.db2.gz VZUNEOVFLWXDOW-GHMZBOCLSA-N 1 3 180.295 1.080 20 0 ADADHO C1CC[C@@H]2[C@H](C1)C[N@@H+]2CC1CNC1 575595141 352853738 /nfs/dbraw/zinc/85/37/38/352853738.db2.gz VZUNEOVFLWXDOW-GHMZBOCLSA-N 1 3 180.295 1.080 20 0 ADADHO CSC[C@H](C)N[C@H]1CCC[C@@H]1[NH3+] 591567333 352916881 /nfs/dbraw/zinc/91/68/81/352916881.db2.gz MKCURHGYIIVDAL-CIUDSAMLSA-N 1 3 188.340 1.207 20 0 ADADHO CSCCCN[C@H]1CCC[C@@H]1[NH3+] 591567331 352916461 /nfs/dbraw/zinc/91/64/61/352916461.db2.gz IZXZYWLOVBLZRC-IUCAKERBSA-N 1 3 188.340 1.209 20 0 ADADHO CSC[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] 591567327 352916470 /nfs/dbraw/zinc/91/64/70/352916470.db2.gz IRADTKPJSFUZQY-VGMNWLOBSA-N 1 3 190.356 1.453 20 0 ADADHO CSC[C@H](C)N[C@@H]1CCC[C@H]1[NH3+] 591567334 352916509 /nfs/dbraw/zinc/91/65/09/352916509.db2.gz MKCURHGYIIVDAL-DJLDLDEBSA-N 1 3 188.340 1.207 20 0 ADADHO CSC[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] 591567325 352916538 /nfs/dbraw/zinc/91/65/38/352916538.db2.gz IRADTKPJSFUZQY-CIUDSAMLSA-N 1 3 190.356 1.453 20 0 ADADHO CSCCCN[C@@H]1CCC[C@H]1[NH3+] 591567332 352916590 /nfs/dbraw/zinc/91/65/90/352916590.db2.gz IZXZYWLOVBLZRC-RKDXNWHRSA-N 1 3 188.340 1.209 20 0 ADADHO CSCCC[NH2+][C@@H](C)C[C@@H](C)N 591567311 352916687 /nfs/dbraw/zinc/91/66/87/352916687.db2.gz HJFYBNKPDFLBOO-BDAKNGLRSA-N 1 3 190.356 1.455 20 0 ADADHO CSCCCN[C@@H]1CCC[C@@H]1[NH3+] 591567330 352916711 /nfs/dbraw/zinc/91/67/11/352916711.db2.gz IZXZYWLOVBLZRC-DTWKUNHWSA-N 1 3 188.340 1.209 20 0 ADADHO CSC[C@H](C)N[C@@H]1CCC[C@@H]1[NH3+] 591567335 352916766 /nfs/dbraw/zinc/91/67/66/352916766.db2.gz MKCURHGYIIVDAL-XHNCKOQMSA-N 1 3 188.340 1.207 20 0 ADADHO CSC[C@H](C)N[C@H](C)C[C@H](C)[NH3+] 591567328 352916775 /nfs/dbraw/zinc/91/67/75/352916775.db2.gz IRADTKPJSFUZQY-YIZRAAEISA-N 1 3 190.356 1.453 20 0 ADADHO CSCCCN[C@H]1CCC[C@H]1[NH3+] 591567329 352916790 /nfs/dbraw/zinc/91/67/90/352916790.db2.gz IZXZYWLOVBLZRC-BDAKNGLRSA-N 1 3 188.340 1.209 20 0 ADADHO CSCCC[NH2+][C@H](C)C[C@H](C)N 591567320 352916813 /nfs/dbraw/zinc/91/68/13/352916813.db2.gz HJFYBNKPDFLBOO-DTWKUNHWSA-N 1 3 190.356 1.455 20 0 ADADHO CSCCC[NH2+][C@H](C)C[C@@H](C)N 591567322 352916821 /nfs/dbraw/zinc/91/68/21/352916821.db2.gz HJFYBNKPDFLBOO-RKDXNWHRSA-N 1 3 190.356 1.455 20 0 ADADHO CSC[C@H](C)N[C@H]1CCC[C@H]1[NH3+] 591567336 352916845 /nfs/dbraw/zinc/91/68/45/352916845.db2.gz MKCURHGYIIVDAL-YIZRAAEISA-N 1 3 188.340 1.207 20 0 ADADHO CSC[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] 591567326 352916858 /nfs/dbraw/zinc/91/68/58/352916858.db2.gz IRADTKPJSFUZQY-HLTSFMKQSA-N 1 3 190.356 1.453 20 0 ADADHO CSCCC[NH2+][C@@H](C)C[C@H](C)N 591567321 352916877 /nfs/dbraw/zinc/91/68/77/352916877.db2.gz HJFYBNKPDFLBOO-IUCAKERBSA-N 1 3 190.356 1.455 20 0 ADADHO NC[C@H]([NH2+]CCF)C1CCCCC1 643077677 352937514 /nfs/dbraw/zinc/93/75/14/352937514.db2.gz GSJQHOLINKMJRN-JTQLQIEISA-N 1 3 188.290 1.453 20 0 ADADHO NC[C@@H]([NH2+]CCF)C1CCCCC1 643077678 352937670 /nfs/dbraw/zinc/93/76/70/352937670.db2.gz GSJQHOLINKMJRN-SNVBAGLBSA-N 1 3 188.290 1.453 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1C[C@H]1C 643451723 352951894 /nfs/dbraw/zinc/95/18/94/352951894.db2.gz QOKZUUXSBWPTJY-XFWSIPNHSA-N 1 3 170.300 1.358 20 0 ADADHO CC[C@@H]1CC[C@H]1[NH2+]CCCNC 643498474 352971923 /nfs/dbraw/zinc/97/19/23/352971923.db2.gz IHBFGRUFYLQOIE-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@H]1CC[C@H]1[NH2+]CCCNC 643498476 352971925 /nfs/dbraw/zinc/97/19/25/352971925.db2.gz IHBFGRUFYLQOIE-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CNC2)C1 643451673 352951725 /nfs/dbraw/zinc/95/17/25/352951725.db2.gz HRPYEAFKQBMAMU-CKYFFXLPSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCNC1 643451763 352951741 /nfs/dbraw/zinc/95/17/41/352951741.db2.gz ADKQBMLIUZXIEI-MXWKQRLJSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNCC[C@H]1C 643451644 352951819 /nfs/dbraw/zinc/95/18/19/352951819.db2.gz CMXACMNNKVXYNM-DDHJBXDOSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 643451721 352951745 /nfs/dbraw/zinc/95/17/45/352951745.db2.gz QOKZUUXSBWPTJY-AATLWQCWSA-N 1 3 170.300 1.358 20 0 ADADHO CC[C@H](NC[C@H]1C[C@H]1C)[C@@H]1CCC[NH2+]1 643451728 352951761 /nfs/dbraw/zinc/95/17/61/352951761.db2.gz RAQZGWOITLJWCS-WYUUTHIRSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)[C@@H]1CCCN1 643451728 352951763 /nfs/dbraw/zinc/95/17/63/352951763.db2.gz RAQZGWOITLJWCS-WYUUTHIRSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C 643451722 352951772 /nfs/dbraw/zinc/95/17/72/352951772.db2.gz QOKZUUXSBWPTJY-KATARQTJSA-N 1 3 170.300 1.358 20 0 ADADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@H]1C[C@H]1C 643451645 352951775 /nfs/dbraw/zinc/95/17/75/352951775.db2.gz CMXACMNNKVXYNM-IRCOFANPSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 643451724 352951796 /nfs/dbraw/zinc/95/17/96/352951796.db2.gz QOKZUUXSBWPTJY-XKNYDFJKSA-N 1 3 170.300 1.358 20 0 ADADHO CC[C@H](NC[C@@H]1C[C@H]1C)[C@@H]1CCC[NH2+]1 643451726 352951807 /nfs/dbraw/zinc/95/18/07/352951807.db2.gz RAQZGWOITLJWCS-RHYQMDGZSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)[C@@H]1CCCN1 643451726 352951808 /nfs/dbraw/zinc/95/18/08/352951808.db2.gz RAQZGWOITLJWCS-RHYQMDGZSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](NC[C@H]1C[C@@H]1C)[C@@H]1CCC[NH2+]1 643451727 352951811 /nfs/dbraw/zinc/95/18/11/352951811.db2.gz RAQZGWOITLJWCS-USZNOCQGSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)[C@@H]1CCCN1 643451727 352951813 /nfs/dbraw/zinc/95/18/13/352951813.db2.gz RAQZGWOITLJWCS-USZNOCQGSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CCC[C@@H](C)[C@@H]1[NH2+][C@H]1CCNC1 643451764 352951843 /nfs/dbraw/zinc/95/18/43/352951843.db2.gz ADKQBMLIUZXIEI-WHOHXGKFSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](NC[C@@H]1C[C@@H]1C)[C@@H]1CCC[NH2+]1 643451725 352951856 /nfs/dbraw/zinc/95/18/56/352951856.db2.gz RAQZGWOITLJWCS-BJDJZHNGSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)[C@@H]1CCCN1 643451725 352951858 /nfs/dbraw/zinc/95/18/58/352951858.db2.gz RAQZGWOITLJWCS-BJDJZHNGSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)C 643451744 352951871 /nfs/dbraw/zinc/95/18/71/352951871.db2.gz WPAGFAKZPAGIFY-RKDXNWHRSA-N 1 3 172.316 1.748 20 0 ADADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNCC[C@H]1C 643451646 352951886 /nfs/dbraw/zinc/95/18/86/352951886.db2.gz CMXACMNNKVXYNM-KKOKHZNYSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]([NH2+]CC(C)(C)C)C1CNC1 643451672 352951906 /nfs/dbraw/zinc/95/19/06/352951906.db2.gz HROIVPXQKZTKDN-QMMMGPOBSA-N 1 3 170.300 1.230 20 0 ADADHO C[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CNC2)C1 643451674 352951929 /nfs/dbraw/zinc/95/19/29/352951929.db2.gz HRPYEAFKQBMAMU-FOGDFJRCSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CC(C)(C)C 643451741 352951934 /nfs/dbraw/zinc/95/19/34/352951934.db2.gz WPAGFAKZPAGIFY-BDAKNGLRSA-N 1 3 172.316 1.748 20 0 ADADHO C[C@@H](NC[C@@H]1C[C@H]1C)[C@@H]1CCCC[NH2+]1 643451659 352951961 /nfs/dbraw/zinc/95/19/61/352951961.db2.gz FTLGSNLWDBOXRT-WYUUTHIRSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](NC[C@@H]1C[C@H]1C)[C@H]1CCCC[NH2+]1 643451656 352951982 /nfs/dbraw/zinc/95/19/82/352951982.db2.gz FTLGSNLWDBOXRT-NOOOWODRSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@H]1C[C@H]1C 643451647 352951987 /nfs/dbraw/zinc/95/19/87/352951987.db2.gz CMXACMNNKVXYNM-QCNOEVLYSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C1CNC1 643451676 352951992 /nfs/dbraw/zinc/95/19/92/352951992.db2.gz HRPYEAFKQBMAMU-SCVCMEIPSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CC(C)(C)C 643451742 352952002 /nfs/dbraw/zinc/95/20/02/352952002.db2.gz WPAGFAKZPAGIFY-DTWKUNHWSA-N 1 3 172.316 1.748 20 0 ADADHO C[C@@H]([NH2+]CC(C)(C)C)C1CNC1 643451671 352952012 /nfs/dbraw/zinc/95/20/12/352952012.db2.gz HROIVPXQKZTKDN-MRVPVSSYSA-N 1 3 170.300 1.230 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)C 643451743 352952022 /nfs/dbraw/zinc/95/20/22/352952022.db2.gz WPAGFAKZPAGIFY-IUCAKERBSA-N 1 3 172.316 1.748 20 0 ADADHO C[C@@H]1C[C@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 643451658 352952037 /nfs/dbraw/zinc/95/20/37/352952037.db2.gz FTLGSNLWDBOXRT-WISYIIOYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CC1CCC1 643453047 352952043 /nfs/dbraw/zinc/95/20/43/352952043.db2.gz FDTUJIIPMFRILU-BDAKNGLRSA-N 1 3 170.300 1.502 20 0 ADADHO CCC[C@H](C)[NH2+][C@@H](C)C1CNC1 643454165 352952542 /nfs/dbraw/zinc/95/25/42/352952542.db2.gz MACQOQHOTZFQHS-IUCAKERBSA-N 1 3 170.300 1.373 20 0 ADADHO CCC[C@@H](C)[NH2+][C@@H](C)C1CNC1 643454163 352952588 /nfs/dbraw/zinc/95/25/88/352952588.db2.gz MACQOQHOTZFQHS-BDAKNGLRSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)C1CNC1 643454138 352952704 /nfs/dbraw/zinc/95/27/04/352952704.db2.gz DRMGKTGQJBILPX-FOGDFJRCSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C1CNC1 643454140 352952716 /nfs/dbraw/zinc/95/27/16/352952716.db2.gz DRMGKTGQJBILPX-SCVCMEIPSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](NCC1CCC1)[C@@H]1CCC[NH2+]1 643453301 352952728 /nfs/dbraw/zinc/95/27/28/352952728.db2.gz ZIXBTAPEWROAAX-RYUDHWBXSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN1 643453301 352952729 /nfs/dbraw/zinc/95/27/29/352952729.db2.gz ZIXBTAPEWROAAX-RYUDHWBXSA-N 1 3 196.338 1.907 20 0 ADADHO CCC[C@@H](C)[NH2+][C@H](C)C1CNC1 643454166 352952766 /nfs/dbraw/zinc/95/27/66/352952766.db2.gz MACQOQHOTZFQHS-RKDXNWHRSA-N 1 3 170.300 1.373 20 0 ADADHO CC[C@@H](NCC1CCC1)[C@@H]1CCC[NH2+]1 643453300 352952837 /nfs/dbraw/zinc/95/28/37/352952837.db2.gz ZIXBTAPEWROAAX-NEPJUHHUSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN1 643453300 352952838 /nfs/dbraw/zinc/95/28/38/352952838.db2.gz ZIXBTAPEWROAAX-NEPJUHHUSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CC1CCC1 643453050 352952843 /nfs/dbraw/zinc/95/28/43/352952843.db2.gz FDTUJIIPMFRILU-IUCAKERBSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CC1CCC1 643453048 352952864 /nfs/dbraw/zinc/95/28/64/352952864.db2.gz FDTUJIIPMFRILU-DTWKUNHWSA-N 1 3 170.300 1.502 20 0 ADADHO CCC[C@H](C)[NH2+][C@H](C)C1CNC1 643454164 352952941 /nfs/dbraw/zinc/95/29/41/352952941.db2.gz MACQOQHOTZFQHS-DTWKUNHWSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1C)C1CNC1 643454137 352952946 /nfs/dbraw/zinc/95/29/46/352952946.db2.gz DRMGKTGQJBILPX-CKYFFXLPSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CCC1 643453052 352952953 /nfs/dbraw/zinc/95/29/53/352952953.db2.gz FDTUJIIPMFRILU-RKDXNWHRSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C1CNC1 643454139 352952972 /nfs/dbraw/zinc/95/29/72/352952972.db2.gz DRMGKTGQJBILPX-JFGNBEQYSA-N 1 3 196.338 1.763 20 0 ADADHO CCC(CC)[NH2+][C@@H](C)C1CNC1 643454209 352953333 /nfs/dbraw/zinc/95/33/33/352953333.db2.gz GPASZEWZJWOLTJ-QMMMGPOBSA-N 1 3 170.300 1.373 20 0 ADADHO CCCC[NH2+][C@H](C)C[C@@H](C)N 643454223 352953353 /nfs/dbraw/zinc/95/33/53/352953353.db2.gz JQUXAHVFTJEFEQ-RKDXNWHRSA-N 1 3 158.289 1.502 20 0 ADADHO CCCC[NH2+][C@H]1CCNCC[C@H]1C 643454211 352953380 /nfs/dbraw/zinc/95/33/80/352953380.db2.gz HVUHLJGFWWFGRV-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CCCC[NH2+][C@@H]1CCNCC[C@@H]1C 643454213 352953387 /nfs/dbraw/zinc/95/33/87/352953387.db2.gz HVUHLJGFWWFGRV-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CCCC[NH2+][C@@H](C)C[C@@H](C)N 643454220 352953391 /nfs/dbraw/zinc/95/33/91/352953391.db2.gz JQUXAHVFTJEFEQ-BDAKNGLRSA-N 1 3 158.289 1.502 20 0 ADADHO CCOCCC[NH2+][C@H](C)C[C@H](C)N 643454192 352953422 /nfs/dbraw/zinc/95/34/22/352953422.db2.gz SAIRNBWGLHAAFS-VHSXEESVSA-N 1 3 188.315 1.128 20 0 ADADHO CCCC[NH2+][C@@H]1CCNCC[C@H]1C 643454210 352953428 /nfs/dbraw/zinc/95/34/28/352953428.db2.gz HVUHLJGFWWFGRV-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)CC[NH2+][C@H](C)C1CNC1 643454423 352953433 /nfs/dbraw/zinc/95/34/33/352953433.db2.gz NRZMRJNSVTXOER-SECBINFHSA-N 1 3 170.300 1.230 20 0 ADADHO CC[C@H](NCC(C)C)[C@@H]1CCC[NH2+]1 643454261 352953492 /nfs/dbraw/zinc/95/34/92/352953492.db2.gz XACIKSYQVPSACO-QWRGUYRKSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H]([NH2+]CC(C)C)[C@@H]1CCCN1 643454261 352953495 /nfs/dbraw/zinc/95/34/95/352953495.db2.gz XACIKSYQVPSACO-QWRGUYRKSA-N 1 3 184.327 1.763 20 0 ADADHO CCCC[NH2+][C@H]1CCNCC[C@@H]1C 643454212 352953531 /nfs/dbraw/zinc/95/35/31/352953531.db2.gz HVUHLJGFWWFGRV-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CCOCCC[NH2+][C@H](C)C[C@@H](C)N 643454190 352953549 /nfs/dbraw/zinc/95/35/49/352953549.db2.gz SAIRNBWGLHAAFS-NXEZZACHSA-N 1 3 188.315 1.128 20 0 ADADHO CCCC[NH2+][C@@H](C)C[C@H](C)N 643454222 352953575 /nfs/dbraw/zinc/95/35/75/352953575.db2.gz JQUXAHVFTJEFEQ-IUCAKERBSA-N 1 3 158.289 1.502 20 0 ADADHO CC(C)CC[NH2+][C@@H](C)C[C@H](C)N 643454411 352953607 /nfs/dbraw/zinc/95/36/07/352953607.db2.gz JZPSOTMEFPGKTR-UWVGGRQHSA-N 1 3 172.316 1.748 20 0 ADADHO CC(C)CC[NH2+][C@H](C)C[C@@H](C)N 643454410 352953612 /nfs/dbraw/zinc/95/36/12/352953612.db2.gz JZPSOTMEFPGKTR-NXEZZACHSA-N 1 3 172.316 1.748 20 0 ADADHO CCOCCC[NH2+][C@@H](C)C[C@@H](C)N 643454193 352953651 /nfs/dbraw/zinc/95/36/51/352953651.db2.gz SAIRNBWGLHAAFS-ZJUUUORDSA-N 1 3 188.315 1.128 20 0 ADADHO CC(C)CC[NH2+][C@@H](C)C[C@@H](C)N 643454413 352953702 /nfs/dbraw/zinc/95/37/02/352953702.db2.gz JZPSOTMEFPGKTR-ZJUUUORDSA-N 1 3 172.316 1.748 20 0 ADADHO CC(C)CC[NH2+][C@H](C)C[C@H](C)N 643454412 352953752 /nfs/dbraw/zinc/95/37/52/352953752.db2.gz JZPSOTMEFPGKTR-VHSXEESVSA-N 1 3 172.316 1.748 20 0 ADADHO CC[C@@H](NCC(C)C)[C@@H]1CCC[NH2+]1 643454260 352953770 /nfs/dbraw/zinc/95/37/70/352953770.db2.gz XACIKSYQVPSACO-MNOVXSKESA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@@H]([NH2+]CC(C)C)[C@@H]1CCCN1 643454260 352953772 /nfs/dbraw/zinc/95/37/72/352953772.db2.gz XACIKSYQVPSACO-MNOVXSKESA-N 1 3 184.327 1.763 20 0 ADADHO CCCCNC1C[C@@H]2CC[C@H](C1)[NH2+]2 643454224 352953786 /nfs/dbraw/zinc/95/37/86/352953786.db2.gz KXWSIWXUKUUEIF-ZACCUICWSA-N 1 3 182.311 1.659 20 0 ADADHO CCC(CC)[NH2+][C@H](C)C1CNC1 643454208 352953836 /nfs/dbraw/zinc/95/38/36/352953836.db2.gz GPASZEWZJWOLTJ-MRVPVSSYSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)CC[NH2+][C@@H](C)C1CNC1 643454424 352953864 /nfs/dbraw/zinc/95/38/64/352953864.db2.gz NRZMRJNSVTXOER-VIFPVBQESA-N 1 3 170.300 1.230 20 0 ADADHO CCCC[NH2+][C@H](C)C[C@H](C)N 643454221 352953875 /nfs/dbraw/zinc/95/38/75/352953875.db2.gz JQUXAHVFTJEFEQ-DTWKUNHWSA-N 1 3 158.289 1.502 20 0 ADADHO CCOCCC[NH2+][C@@H](C)C[C@H](C)N 643454191 352953893 /nfs/dbraw/zinc/95/38/93/352953893.db2.gz SAIRNBWGLHAAFS-UWVGGRQHSA-N 1 3 188.315 1.128 20 0 ADADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccccc1 643455616 352954135 /nfs/dbraw/zinc/95/41/35/352954135.db2.gz GLLIWDBGIVNBEZ-GHMZBOCLSA-N 1 3 192.306 1.902 20 0 ADADHO C[C@@H](C[C@@H](C)[NH3+])NCc1ccccc1 643455617 352954213 /nfs/dbraw/zinc/95/42/13/352954213.db2.gz GLLIWDBGIVNBEZ-MNOVXSKESA-N 1 3 192.306 1.902 20 0 ADADHO CCCCC[NH2+][C@@H](C)C1CNC1 643455627 352954288 /nfs/dbraw/zinc/95/42/88/352954288.db2.gz JKGROXBFLLYFLJ-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CCCCC[NH2+][C@H](C)C[C@@H](C)N 643455612 352954294 /nfs/dbraw/zinc/95/42/94/352954294.db2.gz GDEFSFCFZRMOML-NXEZZACHSA-N 1 3 172.316 1.892 20 0 ADADHO CC[C@H](COC)N[C@H](C)C[C@@H](C)[NH3+] 643456804 352954309 /nfs/dbraw/zinc/95/43/09/352954309.db2.gz LYLFJQPKJNUWKM-OPRDCNLKSA-N 1 3 188.315 1.127 20 0 ADADHO CC[C@H](COC)N[C@@H](C)C[C@H](C)[NH3+] 643456803 352954380 /nfs/dbraw/zinc/95/43/80/352954380.db2.gz LYLFJQPKJNUWKM-LPEHRKFASA-N 1 3 188.315 1.127 20 0 ADADHO CCCCC[NH2+][C@H](C)C[C@H](C)N 643455614 352954406 /nfs/dbraw/zinc/95/44/06/352954406.db2.gz GDEFSFCFZRMOML-VHSXEESVSA-N 1 3 172.316 1.892 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)NCc1ccccc1 643455619 352954498 /nfs/dbraw/zinc/95/44/98/352954498.db2.gz GLLIWDBGIVNBEZ-WDEREUQCSA-N 1 3 192.306 1.902 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)NCc1cccs1 643456527 352954505 /nfs/dbraw/zinc/95/45/05/352954505.db2.gz ADWRINJUTHQGLM-IUCAKERBSA-N 1 3 198.335 1.964 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)NCc1cccs1 643456526 352954535 /nfs/dbraw/zinc/95/45/35/352954535.db2.gz ADWRINJUTHQGLM-DTWKUNHWSA-N 1 3 198.335 1.964 20 0 ADADHO CCCCC[NH2+][C@@H](C)C[C@H](C)N 643455613 352954634 /nfs/dbraw/zinc/95/46/34/352954634.db2.gz GDEFSFCFZRMOML-UWVGGRQHSA-N 1 3 172.316 1.892 20 0 ADADHO CC[C@H](COC)N[C@H](C)C[C@H](C)[NH3+] 643456801 352954661 /nfs/dbraw/zinc/95/46/61/352954661.db2.gz LYLFJQPKJNUWKM-IVZWLZJFSA-N 1 3 188.315 1.127 20 0 ADADHO CCCCC[NH2+][C@H](C)C1CNC1 643455626 352954708 /nfs/dbraw/zinc/95/47/08/352954708.db2.gz JKGROXBFLLYFLJ-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccs1 643456528 352954729 /nfs/dbraw/zinc/95/47/29/352954729.db2.gz ADWRINJUTHQGLM-RKDXNWHRSA-N 1 3 198.335 1.964 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)NCc1ccccc1 643455618 352954762 /nfs/dbraw/zinc/95/47/62/352954762.db2.gz GLLIWDBGIVNBEZ-QWRGUYRKSA-N 1 3 192.306 1.902 20 0 ADADHO CCCCC[NH2+][C@@H](C)C[C@@H](C)N 643455615 352954821 /nfs/dbraw/zinc/95/48/21/352954821.db2.gz GDEFSFCFZRMOML-ZJUUUORDSA-N 1 3 172.316 1.892 20 0 ADADHO C[C@@H](C[C@@H](C)[NH3+])NCc1cccs1 643456525 352954913 /nfs/dbraw/zinc/95/49/13/352954913.db2.gz ADWRINJUTHQGLM-BDAKNGLRSA-N 1 3 198.335 1.964 20 0 ADADHO CC[C@H](COC)N[C@@H](C)C[C@@H](C)[NH3+] 643456802 352954921 /nfs/dbraw/zinc/95/49/21/352954921.db2.gz LYLFJQPKJNUWKM-KXUCPTDWSA-N 1 3 188.315 1.127 20 0 ADADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C1CNC1 643461896 352955148 /nfs/dbraw/zinc/95/51/48/352955148.db2.gz FXXMXETZEUNLDZ-FOGDFJRCSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)CCC[NH2+][C@H](C)C1CNC1 643458474 352955157 /nfs/dbraw/zinc/95/51/57/352955157.db2.gz OLJLLTHNAPCHNE-SNVBAGLBSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CC1CC1 643459558 352955206 /nfs/dbraw/zinc/95/52/06/352955206.db2.gz VRHNDWJRPPARQF-SFYZADRCSA-N 1 3 156.273 1.112 20 0 ADADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C1CNC1 643461897 352955238 /nfs/dbraw/zinc/95/52/38/352955238.db2.gz FXXMXETZEUNLDZ-HOSYDEDBSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CC1 643459556 352955253 /nfs/dbraw/zinc/95/52/53/352955253.db2.gz VRHNDWJRPPARQF-HTQZYQBOSA-N 1 3 156.273 1.112 20 0 ADADHO CCC1(C[NH2+][C@H](C)C2CNC2)CCC1 643461027 352955309 /nfs/dbraw/zinc/95/53/09/352955309.db2.gz AAMBQGAVNOOBFC-SNVBAGLBSA-N 1 3 196.338 1.764 20 0 ADADHO COCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)N 643461621 352955334 /nfs/dbraw/zinc/95/53/34/352955334.db2.gz UJROECDDKCEZDW-KXUCPTDWSA-N 1 3 188.315 1.127 20 0 ADADHO CCC(CC)C[NH2+][C@@H](C)C1CNC1 643461755 352955384 /nfs/dbraw/zinc/95/53/84/352955384.db2.gz HZGCLLQTVRORQO-VIFPVBQESA-N 1 3 184.327 1.620 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CC1CC1 643459559 352955394 /nfs/dbraw/zinc/95/53/94/352955394.db2.gz VRHNDWJRPPARQF-YUMQZZPRSA-N 1 3 156.273 1.112 20 0 ADADHO CCC1(C[NH2+][C@@H](C)C2CNC2)CCC1 643461026 352955419 /nfs/dbraw/zinc/95/54/19/352955419.db2.gz AAMBQGAVNOOBFC-JTQLQIEISA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)CCC[NH2+][C@@H](C)C1CNC1 643458473 352955451 /nfs/dbraw/zinc/95/54/51/352955451.db2.gz OLJLLTHNAPCHNE-JTQLQIEISA-N 1 3 184.327 1.620 20 0 ADADHO CCC(CC)C[NH2+][C@H](C)C1CNC1 643461754 352955525 /nfs/dbraw/zinc/95/55/25/352955525.db2.gz HZGCLLQTVRORQO-SECBINFHSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CC1CC1 643459557 352955544 /nfs/dbraw/zinc/95/55/44/352955544.db2.gz VRHNDWJRPPARQF-JGVFFNPUSA-N 1 3 156.273 1.112 20 0 ADADHO CC[C@H]([NH2+]CC1CC1)[C@@H]1CCCN1 643459485 352955614 /nfs/dbraw/zinc/95/56/14/352955614.db2.gz FDHVSUVSJQXVAJ-QWRGUYRKSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN1 643459484 352955656 /nfs/dbraw/zinc/95/56/56/352955656.db2.gz FDHVSUVSJQXVAJ-MNOVXSKESA-N 1 3 182.311 1.517 20 0 ADADHO COCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)N 643461620 352955700 /nfs/dbraw/zinc/95/57/00/352955700.db2.gz UJROECDDKCEZDW-GUBZILKMSA-N 1 3 188.315 1.127 20 0 ADADHO COCC[C@H](C)[NH2+][C@H](C)C[C@H](C)N 643461622 352955784 /nfs/dbraw/zinc/95/57/84/352955784.db2.gz UJROECDDKCEZDW-LPEHRKFASA-N 1 3 188.315 1.127 20 0 ADADHO COCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)N 643461623 352955825 /nfs/dbraw/zinc/95/58/25/352955825.db2.gz UJROECDDKCEZDW-UTLUCORTSA-N 1 3 188.315 1.127 20 0 ADADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C1CNC1 643461895 352955840 /nfs/dbraw/zinc/95/58/40/352955840.db2.gz FXXMXETZEUNLDZ-CKYFFXLPSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CCCC1CC1 643464898 352955983 /nfs/dbraw/zinc/95/59/83/352955983.db2.gz VWVZVXUSVCPRRZ-ZJUUUORDSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C1CNC1 643463600 352955964 /nfs/dbraw/zinc/95/59/64/352955964.db2.gz MVZFJTBUDKXMPJ-GUBZILKMSA-N 1 3 184.327 1.619 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CCCC1CC1 643464897 352955972 /nfs/dbraw/zinc/95/59/72/352955972.db2.gz VWVZVXUSVCPRRZ-VHSXEESVSA-N 1 3 184.327 1.892 20 0 ADADHO CO[C@H](C)CC[NH2+][C@H](C)C[C@H](C)N 643464075 352956030 /nfs/dbraw/zinc/95/60/30/352956030.db2.gz KDJJOWSSESAXPF-IVZWLZJFSA-N 1 3 188.315 1.127 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CCC1CC1 643465713 352956069 /nfs/dbraw/zinc/95/60/69/352956069.db2.gz IEUGIZBYXJXPHW-DTWKUNHWSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCC1CC1 643464895 352956119 /nfs/dbraw/zinc/95/61/19/352956119.db2.gz VWVZVXUSVCPRRZ-NXEZZACHSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCN1 643465694 352956211 /nfs/dbraw/zinc/95/62/11/352956211.db2.gz FMWXHACMGFWGGT-NEPJUHHUSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]([NH2+]CCC1CC1)[C@@H]1CCCN1 643465695 352956245 /nfs/dbraw/zinc/95/62/45/352956245.db2.gz FMWXHACMGFWGGT-RYUDHWBXSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CCC1CC1 643465715 352956286 /nfs/dbraw/zinc/95/62/86/352956286.db2.gz IEUGIZBYXJXPHW-RKDXNWHRSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CC1CCCC1 643463931 352956320 /nfs/dbraw/zinc/95/63/20/352956320.db2.gz KSFRYKSACUQXHR-VHSXEESVSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CC1CCCC1 643463932 352956330 /nfs/dbraw/zinc/95/63/30/352956330.db2.gz KSFRYKSACUQXHR-ZJUUUORDSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H]([NH2+]CCCC1CC1)C1CNC1 643464838 352956343 /nfs/dbraw/zinc/95/63/43/352956343.db2.gz GAVWHWGYTMVCGP-VIFPVBQESA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H]([NH2+]CC1CCCC1)C1CNC1 643463896 352956352 /nfs/dbraw/zinc/95/63/52/352956352.db2.gz IEDFJWDWWHIYGJ-VIFPVBQESA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC1CC1 643465709 352956367 /nfs/dbraw/zinc/95/63/67/352956367.db2.gz HHVFODFGXYJZJX-JQWIXIFHSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1CNC1 643463599 352956374 /nfs/dbraw/zinc/95/63/74/352956374.db2.gz MVZFJTBUDKXMPJ-AEJSXWLSSA-N 1 3 184.327 1.619 20 0 ADADHO C[C@@H]([NH2+]CCCC1CC1)C1CNC1 643464837 352956382 /nfs/dbraw/zinc/95/63/82/352956382.db2.gz GAVWHWGYTMVCGP-SECBINFHSA-N 1 3 182.311 1.374 20 0 ADADHO CO[C@H](C)CC[NH2+][C@@H](C)C[C@@H](C)N 643464076 352956392 /nfs/dbraw/zinc/95/63/92/352956392.db2.gz KDJJOWSSESAXPF-KXUCPTDWSA-N 1 3 188.315 1.127 20 0 ADADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1CC1 643465710 352956423 /nfs/dbraw/zinc/95/64/23/352956423.db2.gz HHVFODFGXYJZJX-PWSUYJOCSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C1CNC1 643463602 352956431 /nfs/dbraw/zinc/95/64/31/352956431.db2.gz MVZFJTBUDKXMPJ-LPEHRKFASA-N 1 3 184.327 1.619 20 0 ADADHO C(CC1CC1)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 643465679 352956447 /nfs/dbraw/zinc/95/64/47/352956447.db2.gz AWMVOHAXCRKART-FOSCPWQOSA-N 1 3 194.322 1.659 20 0 ADADHO CO[C@H](C)CC[NH2+][C@@H](C)C[C@H](C)N 643464077 352956540 /nfs/dbraw/zinc/95/65/40/352956540.db2.gz KDJJOWSSESAXPF-LPEHRKFASA-N 1 3 188.315 1.127 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CCCC1CC1 643464896 352956546 /nfs/dbraw/zinc/95/65/46/352956546.db2.gz VWVZVXUSVCPRRZ-UWVGGRQHSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C1CNC1 643461898 352956606 /nfs/dbraw/zinc/95/66/06/352956606.db2.gz FXXMXETZEUNLDZ-UMNHJUIQSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC1CC1 643465711 352956629 /nfs/dbraw/zinc/95/66/29/352956629.db2.gz HHVFODFGXYJZJX-ZYHUDNBSSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C1CNC1 643463601 352956655 /nfs/dbraw/zinc/95/66/55/352956655.db2.gz MVZFJTBUDKXMPJ-IVZWLZJFSA-N 1 3 184.327 1.619 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CCCC1 643463929 352956661 /nfs/dbraw/zinc/95/66/61/352956661.db2.gz KSFRYKSACUQXHR-NXEZZACHSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CC1CCCC1 643463930 352956687 /nfs/dbraw/zinc/95/66/87/352956687.db2.gz KSFRYKSACUQXHR-UWVGGRQHSA-N 1 3 184.327 1.892 20 0 ADADHO CO[C@H](C)CC[NH2+][C@H](C)C[C@@H](C)N 643464078 352956693 /nfs/dbraw/zinc/95/66/93/352956693.db2.gz KDJJOWSSESAXPF-OPRDCNLKSA-N 1 3 188.315 1.127 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CCC1CC1 643465712 352956709 /nfs/dbraw/zinc/95/67/09/352956709.db2.gz IEUGIZBYXJXPHW-BDAKNGLRSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC1CC1 643465708 352956732 /nfs/dbraw/zinc/95/67/32/352956732.db2.gz HHVFODFGXYJZJX-CMPLNLGQSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CCC1CC1 643465714 352956740 /nfs/dbraw/zinc/95/67/40/352956740.db2.gz IEUGIZBYXJXPHW-IUCAKERBSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)C1CC1 643467253 352956920 /nfs/dbraw/zinc/95/69/20/352956920.db2.gz RQQWIPRCWOXDGE-CIUDSAMLSA-N 1 3 170.300 1.500 20 0 ADADHO C[C@H]([NH2+]CC1(C)CC1)[C@@H]1CCCNC1 643465891 352956936 /nfs/dbraw/zinc/95/69/36/352956936.db2.gz NOSXJSQTPBZOMV-WDEREUQCSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCNCC[C@H]1C)C1CC1 643467258 352957122 /nfs/dbraw/zinc/95/71/22/352957122.db2.gz RQTRMHXAZSXGTE-FOGDFJRCSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](N[C@H](C)C1CC1)[C@@H]1CCC[NH2+]1 643467293 352957000 /nfs/dbraw/zinc/95/70/00/352957000.db2.gz WKNUWAJZOXRECT-USWWRNFRSA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@H]([NH2+][C@H](C)C1CC1)[C@@H]1CCCN1 643467293 352957003 /nfs/dbraw/zinc/95/70/03/352957003.db2.gz WKNUWAJZOXRECT-USWWRNFRSA-N 1 3 196.338 1.905 20 0 ADADHO CCCC1(C[NH2+][C@@H](C)C2CNC2)CC1 643467013 352957048 /nfs/dbraw/zinc/95/70/48/352957048.db2.gz KCKWLNKDLLHKPV-JTQLQIEISA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]([NH2+]CC1(C)CC1)[C@H]1CCCNC1 643465889 352957073 /nfs/dbraw/zinc/95/70/73/352957073.db2.gz NOSXJSQTPBZOMV-MNOVXSKESA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H](NC1C[C@@H]2CC[C@H](C1)[NH2+]2)C1CC1 643467214 352957102 /nfs/dbraw/zinc/95/71/02/352957102.db2.gz MNAPYXJDKBGNBJ-TTYIIPLBSA-N 1 3 194.322 1.658 20 0 ADADHO CCCC1(C[NH2+][C@H](C)C2CNC2)CC1 643467014 352957131 /nfs/dbraw/zinc/95/71/31/352957131.db2.gz KCKWLNKDLLHKPV-SNVBAGLBSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)C1(C[NH2+][C@@H](C)C2CNC2)CC1 643466279 352957148 /nfs/dbraw/zinc/95/71/48/352957148.db2.gz RFDFSAZVNCASAK-JTQLQIEISA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CC1(C)CC1 643465883 352957154 /nfs/dbraw/zinc/95/71/54/352957154.db2.gz MFFQLOJTUPPCJG-DTWKUNHWSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@@H]([NH2+]CCC(C)(C)C)C1CNC1 643467337 352957166 /nfs/dbraw/zinc/95/71/66/352957166.db2.gz DDTNJCIXOQUARD-SECBINFHSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@@H]([NH2+]CC1(C)CC1)[C@@H]1CCCNC1 643465888 352957186 /nfs/dbraw/zinc/95/71/86/352957186.db2.gz NOSXJSQTPBZOMV-GHMZBOCLSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CC1(C)CC1 643465884 352957202 /nfs/dbraw/zinc/95/72/02/352957202.db2.gz MFFQLOJTUPPCJG-IUCAKERBSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(C)CC1 643465885 352957228 /nfs/dbraw/zinc/95/72/28/352957228.db2.gz MFFQLOJTUPPCJG-RKDXNWHRSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H]([NH2+]CC1(C)CC1)[C@H]1CCCNC1 643465890 352957235 /nfs/dbraw/zinc/95/72/35/352957235.db2.gz NOSXJSQTPBZOMV-QWRGUYRKSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCNCC[C@H]1C)C1CC1 643467257 352957244 /nfs/dbraw/zinc/95/72/44/352957244.db2.gz RQTRMHXAZSXGTE-CKYFFXLPSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]([NH2+]CCC(C)(C)C)C1CNC1 643467338 352957273 /nfs/dbraw/zinc/95/72/73/352957273.db2.gz DDTNJCIXOQUARD-VIFPVBQESA-N 1 3 184.327 1.620 20 0 ADADHO C[C@@H](N[C@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 643467270 352957295 /nfs/dbraw/zinc/95/72/95/352957295.db2.gz UTEXDKWVXXTZJR-FOGDFJRCSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CC1(C)CC1 643465882 352957323 /nfs/dbraw/zinc/95/73/23/352957323.db2.gz MFFQLOJTUPPCJG-BDAKNGLRSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H]([NH2+][C@H]1CCNCC[C@H]1C)C1CC1 643467260 352957329 /nfs/dbraw/zinc/95/73/29/352957329.db2.gz RQTRMHXAZSXGTE-SCVCMEIPSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](N[C@H](C)[C@H]1CCCC[NH2+]1)C1CC1 643467269 352957428 /nfs/dbraw/zinc/95/74/28/352957428.db2.gz UTEXDKWVXXTZJR-CKYFFXLPSA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@@H](N[C@@H](C)C1CC1)[C@@H]1CCC[NH2+]1 643467294 352957467 /nfs/dbraw/zinc/95/74/67/352957467.db2.gz WKNUWAJZOXRECT-WCQGTBRESA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@@H]([NH2+][C@@H](C)C1CC1)[C@@H]1CCCN1 643467294 352957469 /nfs/dbraw/zinc/95/74/69/352957469.db2.gz WKNUWAJZOXRECT-WCQGTBRESA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@H](N[C@@H](C)C1CC1)[C@@H]1CCC[NH2+]1 643467291 352957478 /nfs/dbraw/zinc/95/74/78/352957478.db2.gz WKNUWAJZOXRECT-DLOVCJGASA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@H]([NH2+][C@@H](C)C1CC1)[C@@H]1CCCN1 643467291 352957480 /nfs/dbraw/zinc/95/74/80/352957480.db2.gz WKNUWAJZOXRECT-DLOVCJGASA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@@H](C)C1CC1 643467256 352957484 /nfs/dbraw/zinc/95/74/84/352957484.db2.gz RQQWIPRCWOXDGE-YIZRAAEISA-N 1 3 170.300 1.500 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@H](C)C1CC1 643467255 352957513 /nfs/dbraw/zinc/95/75/13/352957513.db2.gz RQQWIPRCWOXDGE-XHNCKOQMSA-N 1 3 170.300 1.500 20 0 ADADHO C[C@@H](NC1C[C@@H]2CC[C@H](C1)[NH2+]2)C1CC1 643467213 352957529 /nfs/dbraw/zinc/95/75/29/352957529.db2.gz MNAPYXJDKBGNBJ-QDEIUJJKSA-N 1 3 194.322 1.658 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@H](C)C1CC1 643467254 352957534 /nfs/dbraw/zinc/95/75/34/352957534.db2.gz RQQWIPRCWOXDGE-DJLDLDEBSA-N 1 3 170.300 1.500 20 0 ADADHO CC(C)C1(C[NH2+][C@H](C)C2CNC2)CC1 643466280 352957543 /nfs/dbraw/zinc/95/75/43/352957543.db2.gz RFDFSAZVNCASAK-SNVBAGLBSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCNCC[C@H]1C)C1CC1 643467259 352957548 /nfs/dbraw/zinc/95/75/48/352957548.db2.gz RQTRMHXAZSXGTE-JFGNBEQYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N[C@H](C)C1CC1)[C@H]1CCCC[NH2+]1 643467271 352957554 /nfs/dbraw/zinc/95/75/54/352957554.db2.gz UTEXDKWVXXTZJR-JFGNBEQYSA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@@H](N[C@H](C)C1CC1)[C@@H]1CCC[NH2+]1 643467292 352957559 /nfs/dbraw/zinc/95/75/59/352957559.db2.gz WKNUWAJZOXRECT-JLLWLGSASA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@@H]([NH2+][C@H](C)C1CC1)[C@@H]1CCCN1 643467292 352957560 /nfs/dbraw/zinc/95/75/60/352957560.db2.gz WKNUWAJZOXRECT-JLLWLGSASA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H](N[C@@H]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 643468963 352957761 /nfs/dbraw/zinc/95/77/61/352957761.db2.gz SCVZGGYDJOGQTF-KKOKHZNYSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCC[C@H]1C)[C@@H]1CCCN1 643468963 352957765 /nfs/dbraw/zinc/95/77/65/352957765.db2.gz SCVZGGYDJOGQTF-KKOKHZNYSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]C[C@H](C)C1CC1 643468263 352957783 /nfs/dbraw/zinc/95/77/83/352957783.db2.gz BFCHCCMTRWKOPT-LPEHRKFASA-N 1 3 184.327 1.748 20 0 ADADHO C[C@@H]1CCC[C@H]1N[C@H](C)[C@H]1CCC[NH2+]1 643468962 352957810 /nfs/dbraw/zinc/95/78/10/352957810.db2.gz SCVZGGYDJOGQTF-DDHJBXDOSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@H]1CCCN1 643468962 352957812 /nfs/dbraw/zinc/95/78/12/352957812.db2.gz SCVZGGYDJOGQTF-DDHJBXDOSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CC1(C2CC2)CC1 643468553 352957845 /nfs/dbraw/zinc/95/78/45/352957845.db2.gz YRASRMGZMNEEBL-UWVGGRQHSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCC1 643469055 352957849 /nfs/dbraw/zinc/95/78/49/352957849.db2.gz SJKLDNOKPWEQQV-HTQZYQBOSA-N 1 3 156.273 1.254 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C 643468930 352957862 /nfs/dbraw/zinc/95/78/62/352957862.db2.gz NQRPVWUEABLJQS-NAKRPEOUSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H]([NH2+]C[C@H](C)C1CC1)[C@@H]1CCCN1 643468298 352957908 /nfs/dbraw/zinc/95/79/08/352957908.db2.gz LEKYLROCAMKHPW-NHCYSSNCSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C 643468933 352957918 /nfs/dbraw/zinc/95/79/18/352957918.db2.gz NQRPVWUEABLJQS-XWLWVQCSSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H]([NH2+][C@H]1CC[C@H](C)CC1)C1CNC1 643469043 352957931 /nfs/dbraw/zinc/95/79/31/352957931.db2.gz JDKJNVFDDNTDME-NHCYSSNCSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCC[C@H]1C)C1CNC1 643468900 352957937 /nfs/dbraw/zinc/95/79/37/352957937.db2.gz FSMBTAFEJTYRSV-FXPVBKGRSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H]([NH2+][C@H]1CCC[C@H]1C)C1CNC1 643468903 352957945 /nfs/dbraw/zinc/95/79/45/352957945.db2.gz FSMBTAFEJTYRSV-YWVKMMECSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@H]1C 643468931 352957966 /nfs/dbraw/zinc/95/79/66/352957966.db2.gz NQRPVWUEABLJQS-RCWTZXSCSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H]([NH2+]C[C@H](C)C1CC1)[C@H]1CCCN1 643468297 352957972 /nfs/dbraw/zinc/95/79/72/352957972.db2.gz LEKYLROCAMKHPW-JBLDHEPKSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCC[C@H]1C)C1CNC1 643468901 352957976 /nfs/dbraw/zinc/95/79/76/352957976.db2.gz FSMBTAFEJTYRSV-KKZNHRDASA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C 643468932 352958008 /nfs/dbraw/zinc/95/80/08/352958008.db2.gz NQRPVWUEABLJQS-VPOLOUISSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H](N[C@@H]1CCC[C@H]1C)[C@H]1CCC[NH2+]1 643468965 352958019 /nfs/dbraw/zinc/95/80/19/352958019.db2.gz SCVZGGYDJOGQTF-WRWGMCAJSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)[C@H]1CCCN1 643468965 352958020 /nfs/dbraw/zinc/95/80/20/352958020.db2.gz SCVZGGYDJOGQTF-WRWGMCAJSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+]C[C@H](C)C1CC1)C1CNC1 643468318 352958030 /nfs/dbraw/zinc/95/80/30/352958030.db2.gz PUPVQUXNIARDEU-IUCAKERBSA-N 1 3 182.311 1.230 20 0 ADADHO CCC[C@@H](CC)[NH2+][C@H](C)C1CNC1 643468665 352958035 /nfs/dbraw/zinc/95/80/35/352958035.db2.gz DAJUNOHPRVAKTM-MWLCHTKSSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H](C[NH2+][C@H](C)[C@@H]1CCCN1)C1CC1 643468299 352958042 /nfs/dbraw/zinc/95/80/42/352958042.db2.gz LEKYLROCAMKHPW-UMNHJUIQSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]C1CCC1 643469056 352958089 /nfs/dbraw/zinc/95/80/89/352958089.db2.gz SJKLDNOKPWEQQV-JGVFFNPUSA-N 1 3 156.273 1.254 20 0 ADADHO C[C@@H](C[NH2+][C@H](C)[C@H]1CCCN1)C1CC1 643468296 352958097 /nfs/dbraw/zinc/95/80/97/352958097.db2.gz LEKYLROCAMKHPW-HOSYDEDBSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CC1(C2CC2)CC1 643468554 352958102 /nfs/dbraw/zinc/95/81/02/352958102.db2.gz YRASRMGZMNEEBL-VHSXEESVSA-N 1 3 196.338 1.892 20 0 ADADHO CCC[C@H](CC)[NH2+][C@@H](C)C1CNC1 643468666 352958108 /nfs/dbraw/zinc/95/81/08/352958108.db2.gz DAJUNOHPRVAKTM-ONGXEEELSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]C1CCC1 643469058 352958132 /nfs/dbraw/zinc/95/81/32/352958132.db2.gz SJKLDNOKPWEQQV-YUMQZZPRSA-N 1 3 156.273 1.254 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](C)C1CC1 643468264 352958161 /nfs/dbraw/zinc/95/81/61/352958161.db2.gz BFCHCCMTRWKOPT-UTLUCORTSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]C[C@@H](C)C1CC1 643468262 352958175 /nfs/dbraw/zinc/95/81/75/352958175.db2.gz BFCHCCMTRWKOPT-KXUCPTDWSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H](C[NH2+][C@H](C)C1CNC1)C1CC1 643468319 352958187 /nfs/dbraw/zinc/95/81/87/352958187.db2.gz PUPVQUXNIARDEU-RKDXNWHRSA-N 1 3 182.311 1.230 20 0 ADADHO C[C@@H]([NH2+][C@H]1CC[C@H](C)CC1)C1CNC1 643469042 352958202 /nfs/dbraw/zinc/95/82/02/352958202.db2.gz JDKJNVFDDNTDME-CKYFFXLPSA-N 1 3 196.338 1.763 20 0 ADADHO CCC[C@@H](CC)[NH2+][C@@H](C)C1CNC1 643468663 352958206 /nfs/dbraw/zinc/95/82/06/352958206.db2.gz DAJUNOHPRVAKTM-GXSJLCMTSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CC1(C2CC2)CC1 643468555 352958209 /nfs/dbraw/zinc/95/82/09/352958209.db2.gz YRASRMGZMNEEBL-ZJUUUORDSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@@H](C[NH2+][C@H](C)C1CNC1)C1CC1 643468317 352958214 /nfs/dbraw/zinc/95/82/14/352958214.db2.gz PUPVQUXNIARDEU-DTWKUNHWSA-N 1 3 182.311 1.230 20 0 ADADHO C[C@H](N[C@@H]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 643468964 352958220 /nfs/dbraw/zinc/95/82/20/352958220.db2.gz SCVZGGYDJOGQTF-KXNHARMFSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)[C@@H]1CCCN1 643468964 352958222 /nfs/dbraw/zinc/95/82/22/352958222.db2.gz SCVZGGYDJOGQTF-KXNHARMFSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C1CNC1 643468902 352958227 /nfs/dbraw/zinc/95/82/27/352958227.db2.gz FSMBTAFEJTYRSV-WCABBAIRSA-N 1 3 182.311 1.373 20 0 ADADHO CCC[C@H](CC)[NH2+][C@H](C)C1CNC1 643468664 352958231 /nfs/dbraw/zinc/95/82/31/352958231.db2.gz DAJUNOHPRVAKTM-KOLCDFICSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H](C)C1CC1 643468261 352958258 /nfs/dbraw/zinc/95/82/58/352958258.db2.gz BFCHCCMTRWKOPT-GUBZILKMSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H](C[NH2+][C@@H](C)C1CNC1)C1CC1 643468316 352958289 /nfs/dbraw/zinc/95/82/89/352958289.db2.gz PUPVQUXNIARDEU-BDAKNGLRSA-N 1 3 182.311 1.230 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]C1CCC1 643469057 352958294 /nfs/dbraw/zinc/95/82/94/352958294.db2.gz SJKLDNOKPWEQQV-SFYZADRCSA-N 1 3 156.273 1.254 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(C2CC2)CC1 643468552 352958299 /nfs/dbraw/zinc/95/82/99/352958299.db2.gz YRASRMGZMNEEBL-NXEZZACHSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]C[C@@H]1CC1(C)C 643469672 352958779 /nfs/dbraw/zinc/95/87/79/352958779.db2.gz YLIHSXXVXZKGKL-AEJSXWLSSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CC1(C)C 643469673 352958824 /nfs/dbraw/zinc/95/88/24/352958824.db2.gz YLIHSXXVXZKGKL-GUBZILKMSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@@H]([NH2+]CC1(C)CCCC1)C1CNC1 643469066 352958829 /nfs/dbraw/zinc/95/88/29/352958829.db2.gz UGRNVUXNTLYQRG-SNVBAGLBSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CC1(C)C 643469675 352958867 /nfs/dbraw/zinc/95/88/67/352958867.db2.gz YLIHSXXVXZKGKL-LPEHRKFASA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H]([NH2+]CC1(C)CCCC1)C1CNC1 643469065 352958972 /nfs/dbraw/zinc/95/89/72/352958972.db2.gz UGRNVUXNTLYQRG-JTQLQIEISA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)C1CNC1 643469550 352959034 /nfs/dbraw/zinc/95/90/34/352959034.db2.gz HBHSNZIRHQADGD-SCZZXKLOSA-N 1 3 182.311 1.230 20 0 ADADHO C[C@H]([NH2+]C[C@H]1CC1(C)C)C1CNC1 643469551 352959100 /nfs/dbraw/zinc/95/91/00/352959100.db2.gz HBHSNZIRHQADGD-WCBMZHEXSA-N 1 3 182.311 1.230 20 0 ADADHO C[C@H]([NH2+]C[C@@H]1CC1(C)C)C1CNC1 643469552 352959152 /nfs/dbraw/zinc/95/91/52/352959152.db2.gz HBHSNZIRHQADGD-WPRPVWTQSA-N 1 3 182.311 1.230 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]C[C@H]1CC1(C)C 643469674 352959234 /nfs/dbraw/zinc/95/92/34/352959234.db2.gz YLIHSXXVXZKGKL-IVZWLZJFSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@@H]([NH2+]C[C@H]1CC1(C)C)C1CNC1 643469549 352959249 /nfs/dbraw/zinc/95/92/49/352959249.db2.gz HBHSNZIRHQADGD-PSASIEDQSA-N 1 3 182.311 1.230 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC=CCC1 643474395 352959649 /nfs/dbraw/zinc/95/96/49/352959649.db2.gz DJXQTHNNYWCVPV-DCAQKATOSA-N 1 3 182.311 1.811 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@@H]1CC=CCC1 643474397 352959706 /nfs/dbraw/zinc/95/97/06/352959706.db2.gz DJXQTHNNYWCVPV-HBNTYKKESA-N 1 3 182.311 1.811 20 0 ADADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccco1 643471643 352959786 /nfs/dbraw/zinc/95/97/86/352959786.db2.gz BASBJIWYUNEGPP-NXEZZACHSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)C1CNC1 643472301 352959793 /nfs/dbraw/zinc/95/97/93/352959793.db2.gz UPHDKOKRDZATQB-GHMZBOCLSA-N 1 3 194.322 1.540 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)NCCc1ccco1 643471645 352959829 /nfs/dbraw/zinc/95/98/29/352959829.db2.gz BASBJIWYUNEGPP-VHSXEESVSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@H]([NH2+]C[C@H]1CC=CCC1)C1CNC1 643472303 352959858 /nfs/dbraw/zinc/95/98/58/352959858.db2.gz UPHDKOKRDZATQB-QWRGUYRKSA-N 1 3 194.322 1.540 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC=CCC1 643474396 352959864 /nfs/dbraw/zinc/95/98/64/352959864.db2.gz DJXQTHNNYWCVPV-GARJFASQSA-N 1 3 182.311 1.811 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccco1 643471644 352959887 /nfs/dbraw/zinc/95/98/87/352959887.db2.gz BASBJIWYUNEGPP-UWVGGRQHSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@@H](C[C@@H](C)[NH3+])NCCc1ccco1 643471646 352959992 /nfs/dbraw/zinc/95/99/92/352959992.db2.gz BASBJIWYUNEGPP-ZJUUUORDSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@H]([NH2+]C[C@@H]1CC=CCC1)C1CNC1 643472304 352960009 /nfs/dbraw/zinc/96/00/09/352960009.db2.gz UPHDKOKRDZATQB-WDEREUQCSA-N 1 3 194.322 1.540 20 0 ADADHO C[C@@H]([NH2+]C[C@H]1CC=CCC1)C1CNC1 643472302 352960029 /nfs/dbraw/zinc/96/00/29/352960029.db2.gz UPHDKOKRDZATQB-MNOVXSKESA-N 1 3 194.322 1.540 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@H]1CC=CCC1 643474394 352960098 /nfs/dbraw/zinc/96/00/98/352960098.db2.gz DJXQTHNNYWCVPV-AXFHLTTASA-N 1 3 182.311 1.811 20 0 ADADHO C[C@H]([NH2+][C@@H]1CC1(C)C)[C@H]1CCCNC1 643478373 352960622 /nfs/dbraw/zinc/96/06/22/352960622.db2.gz NCGSRAZCLMVMMI-GARJFASQSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N[C@@H]1CC1(C)C)[C@H]1CCC[NH2+]C1 643478373 352960626 /nfs/dbraw/zinc/96/06/26/352960626.db2.gz NCGSRAZCLMVMMI-GARJFASQSA-N 1 3 196.338 1.763 20 0 ADADHO CC1(C)C[C@H]1NC1C[C@@H]2CC[C@H](C1)[NH2+]2 643478353 352960638 /nfs/dbraw/zinc/96/06/38/352960638.db2.gz LBBABKVNDMLFOT-KJLIAQIISA-N 1 3 194.322 1.658 20 0 ADADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCF 643474812 352960662 /nfs/dbraw/zinc/96/06/62/352960662.db2.gz RLTZTGIONJCNDI-VHSXEESVSA-N 1 3 188.290 1.324 20 0 ADADHO C[C@H]([NH2+][C@@H](C)C1CNC1)C1CCC1 643476420 352960696 /nfs/dbraw/zinc/96/06/96/352960696.db2.gz ZFRZEVBRLIZKDL-IUCAKERBSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H]([NH2+][C@@H]1CC1(C)C)[C@@H]1CCCNC1 643478374 352960710 /nfs/dbraw/zinc/96/07/10/352960710.db2.gz NCGSRAZCLMVMMI-HBNTYKKESA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N[C@@H]1CC1(C)C)[C@@H]1CCC[NH2+]C1 643478374 352960714 /nfs/dbraw/zinc/96/07/14/352960714.db2.gz NCGSRAZCLMVMMI-HBNTYKKESA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@H](C)C1CCC1 643476389 352960719 /nfs/dbraw/zinc/96/07/19/352960719.db2.gz WOBGTQLPXJSARU-IVZWLZJFSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@H](C)C1CCC1 643476390 352960747 /nfs/dbraw/zinc/96/07/47/352960747.db2.gz WOBGTQLPXJSARU-LPEHRKFASA-N 1 3 184.327 1.890 20 0 ADADHO C[C@@H]([NH2+][C@H](C)[C@H]1CCCN1)C1CCC1 643476293 352960771 /nfs/dbraw/zinc/96/07/71/352960771.db2.gz BKFWWYCNMGXVKE-CKYFFXLPSA-N 1 3 196.338 1.905 20 0 ADADHO CC(C)C[C@H](C)[NH2+][C@H](C)C1CNC1 643475856 352960806 /nfs/dbraw/zinc/96/08/06/352960806.db2.gz SMRKVYFXLAZABD-VHSXEESVSA-N 1 3 184.327 1.619 20 0 ADADHO C[C@H]([NH2+][C@H](C)C1CCC1)[C@H]1CCCN1 643476295 352960811 /nfs/dbraw/zinc/96/08/11/352960811.db2.gz BKFWWYCNMGXVKE-JFGNBEQYSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+][C@H](C)C1CCC1)[C@@H]1CCCN1 643476296 352960837 /nfs/dbraw/zinc/96/08/37/352960837.db2.gz BKFWWYCNMGXVKE-SCVCMEIPSA-N 1 3 196.338 1.905 20 0 ADADHO CC(C)C[C@H](C)[NH2+][C@@H](C)C1CNC1 643475855 352960850 /nfs/dbraw/zinc/96/08/50/352960850.db2.gz SMRKVYFXLAZABD-UWVGGRQHSA-N 1 3 184.327 1.619 20 0 ADADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCF 643474810 352960862 /nfs/dbraw/zinc/96/08/62/352960862.db2.gz RLTZTGIONJCNDI-NXEZZACHSA-N 1 3 188.290 1.324 20 0 ADADHO C[C@@H]([NH2+][C@H](C)C1CNC1)C1CCC1 643476421 352960880 /nfs/dbraw/zinc/96/08/80/352960880.db2.gz ZFRZEVBRLIZKDL-RKDXNWHRSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H]([NH2+][C@H]1CC1(C)C)[C@@H]1CCCNC1 643478371 352960884 /nfs/dbraw/zinc/96/08/84/352960884.db2.gz NCGSRAZCLMVMMI-AXFHLTTASA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N[C@H]1CC1(C)C)[C@@H]1CCC[NH2+]C1 643478371 352960885 /nfs/dbraw/zinc/96/08/85/352960885.db2.gz NCGSRAZCLMVMMI-AXFHLTTASA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCF 643474813 352960888 /nfs/dbraw/zinc/96/08/88/352960888.db2.gz RLTZTGIONJCNDI-ZJUUUORDSA-N 1 3 188.290 1.324 20 0 ADADHO C[C@H]([NH2+][C@H]1CC1(C)C)[C@H]1CCCNC1 643478372 352960904 /nfs/dbraw/zinc/96/09/04/352960904.db2.gz NCGSRAZCLMVMMI-DCAQKATOSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N[C@H]1CC1(C)C)[C@H]1CCC[NH2+]C1 643478372 352960906 /nfs/dbraw/zinc/96/09/06/352960906.db2.gz NCGSRAZCLMVMMI-DCAQKATOSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@@H](C)C1CCC1 643476387 352960928 /nfs/dbraw/zinc/96/09/28/352960928.db2.gz WOBGTQLPXJSARU-AEJSXWLSSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H]([NH2+][C@H](C)C1CCC1)C1CNC1 643476418 352960931 /nfs/dbraw/zinc/96/09/31/352960931.db2.gz ZFRZEVBRLIZKDL-BDAKNGLRSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCF 643474811 352960934 /nfs/dbraw/zinc/96/09/34/352960934.db2.gz RLTZTGIONJCNDI-UWVGGRQHSA-N 1 3 188.290 1.324 20 0 ADADHO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCN1)C1CCC1 643476294 352960957 /nfs/dbraw/zinc/96/09/57/352960957.db2.gz BKFWWYCNMGXVKE-FOGDFJRCSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+][C@H](C)C1CNC1)C1CCC1 643476419 352960967 /nfs/dbraw/zinc/96/09/67/352960967.db2.gz ZFRZEVBRLIZKDL-DTWKUNHWSA-N 1 3 182.311 1.373 20 0 ADADHO CC1(C)C[C@@H]1NC1C[C@@H]2CC[C@H](C1)[NH2+]2 643478352 352960991 /nfs/dbraw/zinc/96/09/91/352960991.db2.gz LBBABKVNDMLFOT-IXMYILBSSA-N 1 3 194.322 1.658 20 0 ADADHO CC(C)C[C@@H](C)[NH2+][C@@H](C)C1CNC1 643475857 352960994 /nfs/dbraw/zinc/96/09/94/352960994.db2.gz SMRKVYFXLAZABD-ZJUUUORDSA-N 1 3 184.327 1.619 20 0 ADADHO CC(C)OCCN[C@H](C)C[C@@H](C)[NH3+] 643480752 352961357 /nfs/dbraw/zinc/96/13/57/352961357.db2.gz AQQFGPJOWRHUML-NXEZZACHSA-N 1 3 188.315 1.127 20 0 ADADHO C[C@@H](CCC1CC1)[NH2+][C@H](C)C1CNC1 643481897 352961382 /nfs/dbraw/zinc/96/13/82/352961382.db2.gz LTUNBEFCZCRNIE-VHSXEESVSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]([NH2+]CC1CC(C)(C)C1)C1CNC1 643483098 352961399 /nfs/dbraw/zinc/96/13/99/352961399.db2.gz BCOQAKFVJRDTLY-VIFPVBQESA-N 1 3 196.338 1.620 20 0 ADADHO CC(C)OCCN[C@@H](C)C[C@H](C)[NH3+] 643480753 352961410 /nfs/dbraw/zinc/96/14/10/352961410.db2.gz AQQFGPJOWRHUML-UWVGGRQHSA-N 1 3 188.315 1.127 20 0 ADADHO C[C@H](CCC1CC1)[NH2+][C@H](C)C1CNC1 643481895 352961498 /nfs/dbraw/zinc/96/14/98/352961498.db2.gz LTUNBEFCZCRNIE-NXEZZACHSA-N 1 3 196.338 1.763 20 0 ADADHO CC1(C)C[C@@H]1N[C@H]1CCC[C@@H]1[NH3+] 643478499 352961528 /nfs/dbraw/zinc/96/15/28/352961528.db2.gz ZNOZASXUPHYRDB-CIUDSAMLSA-N 1 3 168.284 1.254 20 0 ADADHO CC1(C)C[C@@H]1N[C@@H]1CCC[C@H]1[NH3+] 643478500 352961547 /nfs/dbraw/zinc/96/15/47/352961547.db2.gz ZNOZASXUPHYRDB-HLTSFMKQSA-N 1 3 168.284 1.254 20 0 ADADHO C[C@@H](CCC1CC1)[NH2+][C@@H](C)C1CNC1 643481896 352961603 /nfs/dbraw/zinc/96/16/03/352961603.db2.gz LTUNBEFCZCRNIE-UWVGGRQHSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)N[C@@H]1CC1(C)C 643478400 352961726 /nfs/dbraw/zinc/96/17/26/352961726.db2.gz RTIXDGRYJNBOEI-DJLDLDEBSA-N 1 3 170.300 1.500 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@@H]1CC1(C)C 643478400 352961730 /nfs/dbraw/zinc/96/17/30/352961730.db2.gz RTIXDGRYJNBOEI-DJLDLDEBSA-N 1 3 170.300 1.500 20 0 ADADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CNC1 643483097 352961771 /nfs/dbraw/zinc/96/17/71/352961771.db2.gz BCOQAKFVJRDTLY-SECBINFHSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)N[C@H]1CC1(C)C 643478403 352961867 /nfs/dbraw/zinc/96/18/67/352961867.db2.gz RTIXDGRYJNBOEI-YIZRAAEISA-N 1 3 170.300 1.500 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@H]1CC1(C)C 643478403 352961868 /nfs/dbraw/zinc/96/18/68/352961868.db2.gz RTIXDGRYJNBOEI-YIZRAAEISA-N 1 3 170.300 1.500 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC1(C)C 643478402 352961872 /nfs/dbraw/zinc/96/18/72/352961872.db2.gz RTIXDGRYJNBOEI-XHNCKOQMSA-N 1 3 170.300 1.500 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC1(C)C 643478402 352961874 /nfs/dbraw/zinc/96/18/74/352961874.db2.gz RTIXDGRYJNBOEI-XHNCKOQMSA-N 1 3 170.300 1.500 20 0 ADADHO CC1(C)C[C@@H]1N[C@H]1CCC[C@H]1[NH3+] 643478501 352961879 /nfs/dbraw/zinc/96/18/79/352961879.db2.gz ZNOZASXUPHYRDB-VGMNWLOBSA-N 1 3 168.284 1.254 20 0 ADADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1CC1(C)C 643478404 352961899 /nfs/dbraw/zinc/96/18/99/352961899.db2.gz RWWSKDYXFZPNCQ-GMTAPVOTSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CC1(C)C 643478404 352961900 /nfs/dbraw/zinc/96/19/00/352961900.db2.gz RWWSKDYXFZPNCQ-GMTAPVOTSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC1(C)C 643478405 352961919 /nfs/dbraw/zinc/96/19/19/352961919.db2.gz RWWSKDYXFZPNCQ-MXWKQRLJSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]([NH2+][C@H](C)CCC1CC1)C1CNC1 643481898 352961968 /nfs/dbraw/zinc/96/19/68/352961968.db2.gz LTUNBEFCZCRNIE-ZJUUUORDSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC1(C)C 643478406 352961973 /nfs/dbraw/zinc/96/19/73/352961973.db2.gz RWWSKDYXFZPNCQ-OUAUKWLOSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CC1(C)C 643478406 352961975 /nfs/dbraw/zinc/96/19/75/352961975.db2.gz RWWSKDYXFZPNCQ-OUAUKWLOSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CC1(C)C 643478399 352961989 /nfs/dbraw/zinc/96/19/89/352961989.db2.gz RTIXDGRYJNBOEI-CIUDSAMLSA-N 1 3 170.300 1.500 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC1(C)C 643478399 352961990 /nfs/dbraw/zinc/96/19/90/352961990.db2.gz RTIXDGRYJNBOEI-CIUDSAMLSA-N 1 3 170.300 1.500 20 0 ADADHO CC(C)OCCN[C@H](C)C[C@H](C)[NH3+] 643480754 352962009 /nfs/dbraw/zinc/96/20/09/352962009.db2.gz AQQFGPJOWRHUML-VHSXEESVSA-N 1 3 188.315 1.127 20 0 ADADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC1(C)C 643478407 352962027 /nfs/dbraw/zinc/96/20/27/352962027.db2.gz RWWSKDYXFZPNCQ-VWYCJHECSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC1(C)C 643478407 352962029 /nfs/dbraw/zinc/96/20/29/352962029.db2.gz RWWSKDYXFZPNCQ-VWYCJHECSA-N 1 3 196.338 1.763 20 0 ADADHO CO[C@H](C)[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] 643483997 352962479 /nfs/dbraw/zinc/96/24/79/352962479.db2.gz ZCBANFIPXYPSNC-DOLQZWNJSA-N 1 3 188.315 1.125 20 0 ADADHO CC(C)=CCN[C@H](C)C[C@@H](C)[NH3+] 643484488 352962753 /nfs/dbraw/zinc/96/27/53/352962753.db2.gz FZKVDOXAFLVGTE-NXEZZACHSA-N 1 3 170.300 1.668 20 0 ADADHO CC(C)=CCC[NH2+][C@@H](C)C1CNC1 643484532 352962497 /nfs/dbraw/zinc/96/24/97/352962497.db2.gz XVKXHBYMVJUEJZ-JTQLQIEISA-N 1 3 182.311 1.540 20 0 ADADHO CC(C)=CCCN[C@@H]1C[NH2+]CC[C@H]1C 643484518 352962539 /nfs/dbraw/zinc/96/25/39/352962539.db2.gz PPVFXKFFIYCUHN-VXGBXAGGSA-N 1 3 196.338 1.930 20 0 ADADHO CO[C@H](C)[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] 643483996 352962544 /nfs/dbraw/zinc/96/25/44/352962544.db2.gz ZCBANFIPXYPSNC-AATLWQCWSA-N 1 3 188.315 1.125 20 0 ADADHO CCC(C)(C)C[NH2+][C@@H](C)C1CNC1 643485206 352962590 /nfs/dbraw/zinc/96/25/90/352962590.db2.gz YNCSHJCPWCERAI-VIFPVBQESA-N 1 3 184.327 1.620 20 0 ADADHO CC(C)=CCCN[C@H]1C[NH2+]CC[C@@H]1C 643484517 352962653 /nfs/dbraw/zinc/96/26/53/352962653.db2.gz PPVFXKFFIYCUHN-RYUDHWBXSA-N 1 3 196.338 1.930 20 0 ADADHO CC(C)C(C)(C)C[NH2+][C@H](C)C1CNC1 643483359 352962661 /nfs/dbraw/zinc/96/26/61/352962661.db2.gz SXOZJPLNUCBJGY-SNVBAGLBSA-N 1 3 198.354 1.866 20 0 ADADHO CO[C@H](C)[C@H](C)N[C@H](C)C[C@H](C)[NH3+] 643483998 352962687 /nfs/dbraw/zinc/96/26/87/352962687.db2.gz ZCBANFIPXYPSNC-QCLAVDOMSA-N 1 3 188.315 1.125 20 0 ADADHO CC(C)=CCC[NH2+][C@H](C)C1CNC1 643484533 352962697 /nfs/dbraw/zinc/96/26/97/352962697.db2.gz XVKXHBYMVJUEJZ-SNVBAGLBSA-N 1 3 182.311 1.540 20 0 ADADHO CC(C)C(C)(C)C[NH2+][C@@H](C)C1CNC1 643483358 352962706 /nfs/dbraw/zinc/96/27/06/352962706.db2.gz SXOZJPLNUCBJGY-JTQLQIEISA-N 1 3 198.354 1.866 20 0 ADADHO CCC(C)(C)C[NH2+][C@H](C)C1CNC1 643485205 352962782 /nfs/dbraw/zinc/96/27/82/352962782.db2.gz YNCSHJCPWCERAI-SECBINFHSA-N 1 3 184.327 1.620 20 0 ADADHO CC(C)=CCCN[C@H]1C[NH2+]CC[C@H]1C 643484515 352962836 /nfs/dbraw/zinc/96/28/36/352962836.db2.gz PPVFXKFFIYCUHN-NEPJUHHUSA-N 1 3 196.338 1.930 20 0 ADADHO CC(C)=CCN[C@H](C)C[C@H](C)[NH3+] 643484490 352962841 /nfs/dbraw/zinc/96/28/41/352962841.db2.gz FZKVDOXAFLVGTE-VHSXEESVSA-N 1 3 170.300 1.668 20 0 ADADHO CC(C)=CCN[C@@H](C)C[C@@H](C)[NH3+] 643484491 352962905 /nfs/dbraw/zinc/96/29/05/352962905.db2.gz FZKVDOXAFLVGTE-ZJUUUORDSA-N 1 3 170.300 1.668 20 0 ADADHO CC(C)=CCN[C@@H](C)C[C@H](C)[NH3+] 643484489 352962929 /nfs/dbraw/zinc/96/29/29/352962929.db2.gz FZKVDOXAFLVGTE-UWVGGRQHSA-N 1 3 170.300 1.668 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CCC1(C)CC1 643486524 352963659 /nfs/dbraw/zinc/96/36/59/352963659.db2.gz XBDIAZDLXXWGKF-UWVGGRQHSA-N 1 3 184.327 1.892 20 0 ADADHO CC1(CC[NH2+][C@@H]2CCC[C@@H]2CN)CC1 643486490 352963555 /nfs/dbraw/zinc/96/35/55/352963555.db2.gz RYEDBLZGQALEHD-GHMZBOCLSA-N 1 3 196.338 1.894 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CCC1(C)CC1 643486525 352963333 /nfs/dbraw/zinc/96/33/33/352963333.db2.gz XBDIAZDLXXWGKF-VHSXEESVSA-N 1 3 184.327 1.892 20 0 ADADHO CC1(CC[NH2+][C@@H]2CCC[C@H]2CN)CC1 643486493 352963340 /nfs/dbraw/zinc/96/33/40/352963340.db2.gz RYEDBLZGQALEHD-WDEREUQCSA-N 1 3 196.338 1.894 20 0 ADADHO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)C1CNC1 643487000 352963414 /nfs/dbraw/zinc/96/34/14/352963414.db2.gz QRLLQWUSPIIDCZ-VWYCJHECSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)C1CNC1 643486999 352963428 /nfs/dbraw/zinc/96/34/28/352963428.db2.gz QRLLQWUSPIIDCZ-OUAUKWLOSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]1CC[C@H](C[NH2+][C@H](C)C2CNC2)C1 643486998 352963470 /nfs/dbraw/zinc/96/34/70/352963470.db2.gz QRLLQWUSPIIDCZ-MXWKQRLJSA-N 1 3 196.338 1.620 20 0 ADADHO CC1(CC[NH2+][C@H]2CCC[C@@H]2CN)CC1 643486491 352963524 /nfs/dbraw/zinc/96/35/24/352963524.db2.gz RYEDBLZGQALEHD-MNOVXSKESA-N 1 3 196.338 1.894 20 0 ADADHO CC1(CC[NH2+][C@H]2CCC[C@H]2CN)CC1 643486492 352963573 /nfs/dbraw/zinc/96/35/73/352963573.db2.gz RYEDBLZGQALEHD-QWRGUYRKSA-N 1 3 196.338 1.894 20 0 ADADHO C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)C1CNC1 643487748 352963576 /nfs/dbraw/zinc/96/35/76/352963576.db2.gz BJYXSKFLKSWSBH-GMTAPVOTSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]1CC[C@@H](C[NH2+][C@H](C)C2CNC2)C1 643486997 352963580 /nfs/dbraw/zinc/96/35/80/352963580.db2.gz QRLLQWUSPIIDCZ-GMTAPVOTSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]([NH2+]CCC1(C)CC1)C1CNC1 643486535 352963600 /nfs/dbraw/zinc/96/36/00/352963600.db2.gz YGGPQXRCQRWSGQ-SECBINFHSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)C1CNC1 643487752 352963648 /nfs/dbraw/zinc/96/36/48/352963648.db2.gz BJYXSKFLKSWSBH-VWYCJHECSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]([NH2+]CCC1(C)CC1)C1CNC1 643486536 352963680 /nfs/dbraw/zinc/96/36/80/352963680.db2.gz YGGPQXRCQRWSGQ-VIFPVBQESA-N 1 3 182.311 1.374 20 0 ADADHO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)C1CNC1 643487751 352963692 /nfs/dbraw/zinc/96/36/92/352963692.db2.gz BJYXSKFLKSWSBH-OUAUKWLOSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CCC1(C)CC1 643486526 352963722 /nfs/dbraw/zinc/96/37/22/352963722.db2.gz XBDIAZDLXXWGKF-ZJUUUORDSA-N 1 3 184.327 1.892 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CCC1(C)CC1 643486523 352963748 /nfs/dbraw/zinc/96/37/48/352963748.db2.gz XBDIAZDLXXWGKF-NXEZZACHSA-N 1 3 184.327 1.892 20 0 ADADHO CC[C@H](CN[C@H](C)C[C@H](C)[NH3+])OC 643489898 352964155 /nfs/dbraw/zinc/96/41/55/352964155.db2.gz BTNDVGDBPNWYTE-IVZWLZJFSA-N 1 3 188.315 1.127 20 0 ADADHO CC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])OC 643489899 352964179 /nfs/dbraw/zinc/96/41/79/352964179.db2.gz BTNDVGDBPNWYTE-KXUCPTDWSA-N 1 3 188.315 1.127 20 0 ADADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC1(C)C 643489239 352964202 /nfs/dbraw/zinc/96/42/02/352964202.db2.gz HNIHEHZGMBUZEV-VWYCJHECSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)C1([NH2+][C@@H](C)C[C@H](C)N)CC1 643490975 352964247 /nfs/dbraw/zinc/96/42/47/352964247.db2.gz GOUVLURJBRTZKC-UWVGGRQHSA-N 1 3 184.327 1.890 20 0 ADADHO CO[C@H](C)[C@@H](C)N[C@@H](C)C[C@H](C)[NH3+] 643489954 352964264 /nfs/dbraw/zinc/96/42/64/352964264.db2.gz ZCBANFIPXYPSNC-AXTSPUMRSA-N 1 3 188.315 1.125 20 0 ADADHO CC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])OC 643489900 352964406 /nfs/dbraw/zinc/96/44/06/352964406.db2.gz BTNDVGDBPNWYTE-LPEHRKFASA-N 1 3 188.315 1.127 20 0 ADADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCC1(C)C 643489236 352964419 /nfs/dbraw/zinc/96/44/19/352964419.db2.gz HNIHEHZGMBUZEV-GMTAPVOTSA-N 1 3 196.338 1.763 20 0 ADADHO CO[C@H](C)[C@@H](C)N[C@H](C)C[C@@H](C)[NH3+] 643489957 352964547 /nfs/dbraw/zinc/96/45/47/352964547.db2.gz ZCBANFIPXYPSNC-ZYUZMQFOSA-N 1 3 188.315 1.125 20 0 ADADHO CC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])OC 643489901 352964569 /nfs/dbraw/zinc/96/45/69/352964569.db2.gz BTNDVGDBPNWYTE-OPRDCNLKSA-N 1 3 188.315 1.127 20 0 ADADHO CC(C)C1([NH2+][C@H](C)C[C@H](C)N)CC1 643490976 352964587 /nfs/dbraw/zinc/96/45/87/352964587.db2.gz GOUVLURJBRTZKC-VHSXEESVSA-N 1 3 184.327 1.890 20 0 ADADHO CO[C@H](C)[C@@H](C)N[C@H](C)C[C@H](C)[NH3+] 643489955 352964611 /nfs/dbraw/zinc/96/46/11/352964611.db2.gz ZCBANFIPXYPSNC-SGIHWFKDSA-N 1 3 188.315 1.125 20 0 ADADHO CC(C)C1([NH2+][C@H](C)C[C@@H](C)N)CC1 643490974 352964616 /nfs/dbraw/zinc/96/46/16/352964616.db2.gz GOUVLURJBRTZKC-NXEZZACHSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC1(C)C 643489238 352964662 /nfs/dbraw/zinc/96/46/62/352964662.db2.gz HNIHEHZGMBUZEV-OUAUKWLOSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCC1(C)C 643489237 352964670 /nfs/dbraw/zinc/96/46/70/352964670.db2.gz HNIHEHZGMBUZEV-MXWKQRLJSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)C1([NH2+][C@@H](C)C[C@@H](C)N)CC1 643490977 352964694 /nfs/dbraw/zinc/96/46/94/352964694.db2.gz GOUVLURJBRTZKC-ZJUUUORDSA-N 1 3 184.327 1.890 20 0 ADADHO CO[C@H](C)[C@@H](C)N[C@@H](C)C[C@@H](C)[NH3+] 643489956 352964800 /nfs/dbraw/zinc/96/48/00/352964800.db2.gz ZCBANFIPXYPSNC-UTINFBMNSA-N 1 3 188.315 1.125 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CC1 643492090 352965368 /nfs/dbraw/zinc/96/53/68/352965368.db2.gz QXHFRUSESIQXJE-DVVUODLYSA-N 1 3 182.311 1.502 20 0 ADADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@H](C)C1CC1 643492136 352965149 /nfs/dbraw/zinc/96/51/49/352965149.db2.gz RQTRMHXAZSXGTE-UMNHJUIQSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+][C@H](C)C1CC1 643492129 352965263 /nfs/dbraw/zinc/96/52/63/352965263.db2.gz RQQWIPRCWOXDGE-IWSPIJDZSA-N 1 3 170.300 1.500 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCC[C@H]1CN)C1CC1 643492097 352965298 /nfs/dbraw/zinc/96/52/98/352965298.db2.gz QXHFRUSESIQXJE-MIMYLULJSA-N 1 3 182.311 1.502 20 0 ADADHO C[C@H]1CCNCC[C@H]1[NH2+][C@H](C)C1CC1 643492132 352965305 /nfs/dbraw/zinc/96/53/05/352965305.db2.gz RQTRMHXAZSXGTE-HOSYDEDBSA-N 1 3 196.338 1.763 20 0 ADADHO CCC1([NH2+][C@@H](C)C[C@H](C)N)CC1 643492041 352965357 /nfs/dbraw/zinc/96/53/57/352965357.db2.gz ZECBVCKUKYYFLG-IUCAKERBSA-N 1 3 170.300 1.644 20 0 ADADHO C[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1CC1 643492104 352965380 /nfs/dbraw/zinc/96/53/80/352965380.db2.gz RQQWIPRCWOXDGE-HLTSFMKQSA-N 1 3 170.300 1.500 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCNCC[C@@H]1C)C1CC1 643492133 352965404 /nfs/dbraw/zinc/96/54/04/352965404.db2.gz RQTRMHXAZSXGTE-JBLDHEPKSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]([NH2+][C@H]1CCNCC[C@@H]1C)C1CC1 643492134 352965417 /nfs/dbraw/zinc/96/54/17/352965417.db2.gz RQTRMHXAZSXGTE-NHCYSSNCSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)C1CC1 643491965 352965427 /nfs/dbraw/zinc/96/54/27/352965427.db2.gz GMRGQQWSLKRAQX-HOSYDEDBSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+][C@@H](C)C1CC1 643492131 352965449 /nfs/dbraw/zinc/96/54/49/352965449.db2.gz RQQWIPRCWOXDGE-VGMNWLOBSA-N 1 3 170.300 1.500 20 0 ADADHO CCC1([NH2+][C@@H](C)C[C@@H](C)N)CC1 643492034 352965482 /nfs/dbraw/zinc/96/54/82/352965482.db2.gz ZECBVCKUKYYFLG-BDAKNGLRSA-N 1 3 170.300 1.644 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+][C@H](C)C1CC1 643492127 352965493 /nfs/dbraw/zinc/96/54/93/352965493.db2.gz RQQWIPRCWOXDGE-HRDYMLBCSA-N 1 3 170.300 1.500 20 0 ADADHO C[C@H](NCC1=CCCCC1)C1C[NH2+]C1 643491503 352965517 /nfs/dbraw/zinc/96/55/17/352965517.db2.gz SECRULCFMDDLIB-JTQLQIEISA-N 1 3 194.322 1.684 20 0 ADADHO C[C@H]([NH2+]CC1=CCCCC1)C1CNC1 643491503 352965519 /nfs/dbraw/zinc/96/55/19/352965519.db2.gz SECRULCFMDDLIB-JTQLQIEISA-N 1 3 194.322 1.684 20 0 ADADHO CC(C)C1([NH2+][C@@H](C)C2CNC2)CC1 643491036 352965643 /nfs/dbraw/zinc/96/56/43/352965643.db2.gz UCEHYGQZVTYYKQ-VIFPVBQESA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H](NCC1=CCCCC1)C1C[NH2+]C1 643491504 352965562 /nfs/dbraw/zinc/96/55/62/352965562.db2.gz SECRULCFMDDLIB-SNVBAGLBSA-N 1 3 194.322 1.684 20 0 ADADHO C[C@@H]([NH2+]CC1=CCCCC1)C1CNC1 643491504 352965565 /nfs/dbraw/zinc/96/55/65/352965565.db2.gz SECRULCFMDDLIB-SNVBAGLBSA-N 1 3 194.322 1.684 20 0 ADADHO CCC1([NH2+][C@H](C)C[C@@H](C)N)CC1 643492043 352965574 /nfs/dbraw/zinc/96/55/74/352965574.db2.gz ZECBVCKUKYYFLG-RKDXNWHRSA-N 1 3 170.300 1.644 20 0 ADADHO C[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)C1CC1 643491978 352965592 /nfs/dbraw/zinc/96/55/92/352965592.db2.gz GMRGQQWSLKRAQX-UMNHJUIQSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)C1([NH2+][C@H](C)C2CNC2)CC1 643491035 352965629 /nfs/dbraw/zinc/96/56/29/352965629.db2.gz UCEHYGQZVTYYKQ-SECBINFHSA-N 1 3 182.311 1.373 20 0 ADADHO CCC1([NH2+][C@H](C)C[C@H](C)N)CC1 643492040 352965636 /nfs/dbraw/zinc/96/56/36/352965636.db2.gz ZECBVCKUKYYFLG-DTWKUNHWSA-N 1 3 170.300 1.644 20 0 ADADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1CC1 643491974 352965646 /nfs/dbraw/zinc/96/56/46/352965646.db2.gz GMRGQQWSLKRAQX-NHCYSSNCSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CC1 643491970 352965655 /nfs/dbraw/zinc/96/56/55/352965655.db2.gz GMRGQQWSLKRAQX-JBLDHEPKSA-N 1 3 196.338 1.763 20 0 ADADHO CC/C=C\CN[C@H](C)C[C@@H](C)[NH3+] 643492421 352966357 /nfs/dbraw/zinc/96/63/57/352966357.db2.gz OUIGVDKHTNZLPF-KWMOZEJZSA-N 1 3 170.300 1.668 20 0 ADADHO CC/C=C\CN[C@H](C)C[C@H](C)[NH3+] 643492422 352966408 /nfs/dbraw/zinc/96/64/08/352966408.db2.gz OUIGVDKHTNZLPF-NRAIBSHISA-N 1 3 170.300 1.668 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)C1CNC1 643492477 352966412 /nfs/dbraw/zinc/96/64/12/352966412.db2.gz BNSVFJYULBPGOK-BBBLOLIVSA-N 1 3 182.311 1.230 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)C[C@@H](C)N 643492795 352966424 /nfs/dbraw/zinc/96/64/24/352966424.db2.gz GJFFEOIYOXOUAG-DBIOUOCHSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CC1 643492166 352966440 /nfs/dbraw/zinc/96/64/40/352966440.db2.gz WDHVUFQSVGWQJR-ADEWGFFLSA-N 1 3 196.338 1.892 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)C1CNC1 643492476 352966493 /nfs/dbraw/zinc/96/64/93/352966493.db2.gz BNSVFJYULBPGOK-AEJSXWLSSA-N 1 3 182.311 1.230 20 0 ADADHO CC/C=C/CN[C@H](C)C[C@H](C)[NH3+] 643492419 352966596 /nfs/dbraw/zinc/96/65/96/352966596.db2.gz OUIGVDKHTNZLPF-FQNVXPIYSA-N 1 3 170.300 1.668 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CC1 643492167 352966613 /nfs/dbraw/zinc/96/66/13/352966613.db2.gz WDHVUFQSVGWQJR-USWWRNFRSA-N 1 3 196.338 1.892 20 0 ADADHO CC/C=C/CN[C@H](C)C[C@@H](C)[NH3+] 643492420 352966618 /nfs/dbraw/zinc/96/66/18/352966618.db2.gz OUIGVDKHTNZLPF-GMCFVEKCSA-N 1 3 170.300 1.668 20 0 ADADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)C[C@H](C)N 643493191 352966919 /nfs/dbraw/zinc/96/69/19/352966919.db2.gz NUNMWLOQZFRTPS-USZNOCQGSA-N 1 3 198.354 1.994 20 0 ADADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)C1CNC1 643493202 352966993 /nfs/dbraw/zinc/96/69/93/352966993.db2.gz SJEZEUNOAZIFNS-NHCYSSNCSA-N 1 3 196.338 1.476 20 0 ADADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)C[C@H](C)N 643493189 352967040 /nfs/dbraw/zinc/96/70/40/352967040.db2.gz NUNMWLOQZFRTPS-BJDJZHNGSA-N 1 3 198.354 1.994 20 0 ADADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)C[C@@H](C)N 643493192 352967095 /nfs/dbraw/zinc/96/70/95/352967095.db2.gz NUNMWLOQZFRTPS-WYUUTHIRSA-N 1 3 198.354 1.994 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)C[C@@H](C)N 643492797 352967275 /nfs/dbraw/zinc/96/72/75/352967275.db2.gz GJFFEOIYOXOUAG-YTWAJWBKSA-N 1 3 184.327 1.748 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)C[C@H](C)N 643492796 352967406 /nfs/dbraw/zinc/96/74/06/352967406.db2.gz GJFFEOIYOXOUAG-MMWGEVLESA-N 1 3 184.327 1.748 20 0 ADADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)C[C@@H](C)N 643493190 352967428 /nfs/dbraw/zinc/96/74/28/352967428.db2.gz NUNMWLOQZFRTPS-RHYQMDGZSA-N 1 3 198.354 1.994 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)C[C@H](C)N 643492798 352967565 /nfs/dbraw/zinc/96/75/65/352967565.db2.gz GJFFEOIYOXOUAG-ZDCRXTMVSA-N 1 3 184.327 1.748 20 0 ADADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)C1CNC1 643493203 352967583 /nfs/dbraw/zinc/96/75/83/352967583.db2.gz SJEZEUNOAZIFNS-SCVCMEIPSA-N 1 3 196.338 1.476 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@H]12 643494776 352967885 /nfs/dbraw/zinc/96/78/85/352967885.db2.gz BNOWMFFWXKXXIT-SVNGYHJRSA-N 1 3 196.338 1.890 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CNC1 643494862 352968177 /nfs/dbraw/zinc/96/81/77/352968177.db2.gz RWKYCQIZSGCAON-BSJXLVFVSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 643494775 352967984 /nfs/dbraw/zinc/96/79/84/352967984.db2.gz BNOWMFFWXKXXIT-MTVMDMGHSA-N 1 3 196.338 1.890 20 0 ADADHO CCO[C@H]1C[C@@H](N[C@H]2CCC[C@@H]2[NH3+])C1 643494297 352968064 /nfs/dbraw/zinc/96/80/64/352968064.db2.gz LGEPZGVSJIZINW-VLEAKVRGSA-N 1 3 198.310 1.023 20 0 ADADHO CC(C)C[C@@H]1C[C@H]1N[C@@H](C)C1C[NH2+]C1 643494565 352968090 /nfs/dbraw/zinc/96/80/90/352968090.db2.gz WJIYXRMCXZKUNG-HOSYDEDBSA-N 1 3 196.338 1.619 20 0 ADADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)C1CNC1 643494565 352968094 /nfs/dbraw/zinc/96/80/94/352968094.db2.gz WJIYXRMCXZKUNG-HOSYDEDBSA-N 1 3 196.338 1.619 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 643494773 352968256 /nfs/dbraw/zinc/96/82/56/352968256.db2.gz BNOWMFFWXKXXIT-HHHUOAJASA-N 1 3 196.338 1.890 20 0 ADADHO CCO[C@H]1C[C@@H](N[C@@H]2CCC[C@H]2[NH3+])C1 643494296 352968290 /nfs/dbraw/zinc/96/82/90/352968290.db2.gz LGEPZGVSJIZINW-LMLFDSFASA-N 1 3 198.310 1.023 20 0 ADADHO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@H]12)C1CNC1 643494865 352968333 /nfs/dbraw/zinc/96/83/33/352968333.db2.gz RWKYCQIZSGCAON-QCMRWSPLSA-N 1 3 194.322 1.373 20 0 ADADHO CCO[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 643494299 352968394 /nfs/dbraw/zinc/96/83/94/352968394.db2.gz LGEPZGVSJIZINW-ZRUFSTJUSA-N 1 3 198.310 1.023 20 0 ADADHO CCO[C@H]1C[C@@H](N[C@H]2CCC[C@H]2[NH3+])C1 643494298 352968433 /nfs/dbraw/zinc/96/84/33/352968433.db2.gz LGEPZGVSJIZINW-YTWAJWBKSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CNC1 643494864 352968455 /nfs/dbraw/zinc/96/84/55/352968455.db2.gz RWKYCQIZSGCAON-PKZYVASSSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@H]12)C1CNC1 643494863 352968489 /nfs/dbraw/zinc/96/84/89/352968489.db2.gz RWKYCQIZSGCAON-LSKIRQOJSA-N 1 3 194.322 1.373 20 0 ADADHO CC(C)C[C@@H]1C[C@H]1N[C@H](C)C1C[NH2+]C1 643494564 352968619 /nfs/dbraw/zinc/96/86/19/352968619.db2.gz WJIYXRMCXZKUNG-CKYFFXLPSA-N 1 3 196.338 1.619 20 0 ADADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)C1CNC1 643494564 352968622 /nfs/dbraw/zinc/96/86/22/352968622.db2.gz WJIYXRMCXZKUNG-CKYFFXLPSA-N 1 3 196.338 1.619 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@H]12 643494774 352968725 /nfs/dbraw/zinc/96/87/25/352968725.db2.gz BNOWMFFWXKXXIT-KNZXXDILSA-N 1 3 196.338 1.890 20 0 ADADHO CCC[C@H]([NH2+]CCN)c1cccnc1 643495874 352969107 /nfs/dbraw/zinc/96/91/07/352969107.db2.gz YLAPKALNPGDCPN-NSHDSACASA-N 1 3 193.294 1.471 20 0 ADADHO C[C@@H](CCc1ccsc1)NCC[NH3+] 643495858 352969193 /nfs/dbraw/zinc/96/91/93/352969193.db2.gz WVLOEKQYNFHEEV-VIFPVBQESA-N 1 3 198.335 1.618 20 0 ADADHO CC[C@@H](Cc1cccs1)NCC[NH3+] 643495744 352969307 /nfs/dbraw/zinc/96/93/07/352969307.db2.gz VRVJJUWRKURYJR-VIFPVBQESA-N 1 3 198.335 1.618 20 0 ADADHO CCC[C@@H]([NH2+]CCN)c1cccnc1 643495873 352969481 /nfs/dbraw/zinc/96/94/81/352969481.db2.gz YLAPKALNPGDCPN-LLVKDONJSA-N 1 3 193.294 1.471 20 0 ADADHO CC[C@H](Cc1cccs1)NCC[NH3+] 643495743 352969579 /nfs/dbraw/zinc/96/95/79/352969579.db2.gz VRVJJUWRKURYJR-SECBINFHSA-N 1 3 198.335 1.618 20 0 ADADHO C[C@H](CCc1ccsc1)NCC[NH3+] 643495857 352969652 /nfs/dbraw/zinc/96/96/52/352969652.db2.gz WVLOEKQYNFHEEV-SECBINFHSA-N 1 3 198.335 1.618 20 0 ADADHO CC[C@H]([NH2+]C1CCNCC1)[C@H]1C[C@H]1C 643496237 352970019 /nfs/dbraw/zinc/97/00/19/352970019.db2.gz DBVMZVIYBKBSTI-USWWRNFRSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C1CCNCC1)[C@@H]1C[C@H]1C 643496236 352970375 /nfs/dbraw/zinc/97/03/75/352970375.db2.gz DBVMZVIYBKBSTI-JLLWLGSASA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C1CCNCC1)[C@H]1C[C@@H]1C 643496235 352970383 /nfs/dbraw/zinc/97/03/83/352970383.db2.gz DBVMZVIYBKBSTI-DLOVCJGASA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C1CCNCC1)[C@@H]1C[C@@H]1C 643496238 352970497 /nfs/dbraw/zinc/97/04/97/352970497.db2.gz DBVMZVIYBKBSTI-WCQGTBRESA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@@H]([NH2+]CCCNC)C(C)C 643498315 352970964 /nfs/dbraw/zinc/97/09/64/352970964.db2.gz VUGOMTLCXFDOMG-SNVBAGLBSA-N 1 3 172.316 1.620 20 0 ADADHO CC[C@@H]1CC[C@H]1N[C@@H]1CCC[NH2+]C1 643497179 352971020 /nfs/dbraw/zinc/97/10/20/352971020.db2.gz LIKSRDFOWDAUAR-GMTAPVOTSA-N 1 3 182.311 1.517 20 0 ADADHO CNCCC[NH2+][C@@H](C)C1CCCC1 643498351 352971056 /nfs/dbraw/zinc/97/10/56/352971056.db2.gz AVKDXANFOXAUJL-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H]1CC[C@H]1N[C@H]1CCC[NH2+]C1 643497181 352971065 /nfs/dbraw/zinc/97/10/65/352971065.db2.gz LIKSRDFOWDAUAR-OUAUKWLOSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@H]([NH2+]CCCNC)C(C)C 643498314 352971086 /nfs/dbraw/zinc/97/10/86/352971086.db2.gz VUGOMTLCXFDOMG-JTQLQIEISA-N 1 3 172.316 1.620 20 0 ADADHO CNCCC[NH2+][C@H](C)C1CCCC1 643498352 352971147 /nfs/dbraw/zinc/97/11/47/352971147.db2.gz AVKDXANFOXAUJL-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@H](C(C)C)C1CC1 643498362 352971168 /nfs/dbraw/zinc/97/11/68/352971168.db2.gz HXQIHGSENBICFA-LLVKDONJSA-N 1 3 184.327 1.620 20 0 ADADHO CNCCC[NH2+][C@@H](C(C)C)C1CC1 643498363 352971196 /nfs/dbraw/zinc/97/11/96/352971196.db2.gz HXQIHGSENBICFA-NSHDSACASA-N 1 3 184.327 1.620 20 0 ADADHO CC[C@@H]1CC[C@@H]1N[C@H]1CCC[NH2+]C1 643497182 352971245 /nfs/dbraw/zinc/97/12/45/352971245.db2.gz LIKSRDFOWDAUAR-VWYCJHECSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]1CC[C@@H]1N[C@@H]1CCC[NH2+]C1 643497180 352971376 /nfs/dbraw/zinc/97/13/76/352971376.db2.gz LIKSRDFOWDAUAR-MXWKQRLJSA-N 1 3 182.311 1.517 20 0 ADADHO CNCCC[NH2+][C@@H]1CCC12CCCC2 643498496 352971920 /nfs/dbraw/zinc/97/19/20/352971920.db2.gz JWPRBIIFXDHIQM-LLVKDONJSA-N 1 3 196.338 1.908 20 0 ADADHO C[NH2+]CCCN[C@@H]1CCC12CCCC2 643498496 352971921 /nfs/dbraw/zinc/97/19/21/352971921.db2.gz JWPRBIIFXDHIQM-LLVKDONJSA-N 1 3 196.338 1.908 20 0 ADADHO CNCCC[NH2+][C@H](C1CCC1)C1CC1 643498600 352971911 /nfs/dbraw/zinc/97/19/11/352971911.db2.gz JLHRZQQPVWCECK-GFCCVEGCSA-N 1 3 196.338 1.764 20 0 ADADHO CNCCC[NH2+][C@@H]1CC[C@H]1C1CCC1 643498510 352971916 /nfs/dbraw/zinc/97/19/16/352971916.db2.gz OKRUSCPUOPWJAY-NWDGAFQWSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@H]([NH2+]CCCNC)[C@H]1C[C@H]1C 643498595 352972009 /nfs/dbraw/zinc/97/20/09/352972009.db2.gz JCSASMOVCHLVGT-VWYCJHECSA-N 1 3 184.327 1.620 20 0 ADADHO CC[C@H]([NH2+]CCCNC)C1CC1 643498384 352972033 /nfs/dbraw/zinc/97/20/33/352972033.db2.gz QCBLELWEWYGVMC-JTQLQIEISA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@H]1CC[C@@H]1[NH2+]CCCNC 643498475 352972048 /nfs/dbraw/zinc/97/20/48/352972048.db2.gz IHBFGRUFYLQOIE-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[NH2+][C@@H]1CCC12CCC2 643498528 352972110 /nfs/dbraw/zinc/97/21/10/352972110.db2.gz QRHGQOKPDDZLHP-SNVBAGLBSA-N 1 3 182.311 1.518 20 0 ADADHO C[NH2+]CCCN[C@@H]1CCC12CCC2 643498528 352972113 /nfs/dbraw/zinc/97/21/13/352972113.db2.gz QRHGQOKPDDZLHP-SNVBAGLBSA-N 1 3 182.311 1.518 20 0 ADADHO CC[C@@H]([NH2+]CCCNC)C1CCC1 643498588 352972120 /nfs/dbraw/zinc/97/21/20/352972120.db2.gz IUSZZXYZEWNUKP-LLVKDONJSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H]([NH2+]CCCNC)C1CC1 643498385 352972126 /nfs/dbraw/zinc/97/21/26/352972126.db2.gz QCBLELWEWYGVMC-SNVBAGLBSA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[NH2+][C@H]1CCC12CCC2 643498527 352972136 /nfs/dbraw/zinc/97/21/36/352972136.db2.gz QRHGQOKPDDZLHP-JTQLQIEISA-N 1 3 182.311 1.518 20 0 ADADHO C[NH2+]CCCN[C@H]1CCC12CCC2 643498527 352972138 /nfs/dbraw/zinc/97/21/38/352972138.db2.gz QRHGQOKPDDZLHP-JTQLQIEISA-N 1 3 182.311 1.518 20 0 ADADHO CC[C@H]([NH2+]CCCNC)[C@@H]1C[C@H]1C 643498594 352972153 /nfs/dbraw/zinc/97/21/53/352972153.db2.gz JCSASMOVCHLVGT-MXWKQRLJSA-N 1 3 184.327 1.620 20 0 ADADHO CNCCC[NH2+][C@H](C)C(C)(C)C 643498407 352972179 /nfs/dbraw/zinc/97/21/79/352972179.db2.gz XMQJFSSYQVBLQM-SECBINFHSA-N 1 3 172.316 1.620 20 0 ADADHO CNCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 643498512 352972187 /nfs/dbraw/zinc/97/21/87/352972187.db2.gz OKRUSCPUOPWJAY-VXGBXAGGSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@@H]1CCC[C@@H]1[NH2+]CCCNC 643498392 352972194 /nfs/dbraw/zinc/97/21/94/352972194.db2.gz SYQZOOSYCIFCGD-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@H]([NH2+]CCCNC)[C@H]1C[C@@H]1C 643498593 352972217 /nfs/dbraw/zinc/97/22/17/352972217.db2.gz JCSASMOVCHLVGT-DCAQKATOSA-N 1 3 184.327 1.620 20 0 ADADHO CC[C@H]1CCC[C@@H]1[NH2+]CCCNC 643498393 352972257 /nfs/dbraw/zinc/97/22/57/352972257.db2.gz SYQZOOSYCIFCGD-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCNC 643498477 352972264 /nfs/dbraw/zinc/97/22/64/352972264.db2.gz IHBFGRUFYLQOIE-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[NH2+][C@H]1CC[C@@H]1C1CCC1 643498509 352972276 /nfs/dbraw/zinc/97/22/76/352972276.db2.gz OKRUSCPUOPWJAY-NEPJUHHUSA-N 1 3 196.338 1.764 20 0 ADADHO CNCCC[NH2+][C@H]1CC[C@H]1C1CCC1 643498511 352972295 /nfs/dbraw/zinc/97/22/95/352972295.db2.gz OKRUSCPUOPWJAY-RYUDHWBXSA-N 1 3 196.338 1.764 20 0 ADADHO CNCCC[NH2+][C@H]1CCC12CCCC2 643498497 352972305 /nfs/dbraw/zinc/97/23/05/352972305.db2.gz JWPRBIIFXDHIQM-NSHDSACASA-N 1 3 196.338 1.908 20 0 ADADHO C[NH2+]CCCN[C@H]1CCC12CCCC2 643498497 352972309 /nfs/dbraw/zinc/97/23/09/352972309.db2.gz JWPRBIIFXDHIQM-NSHDSACASA-N 1 3 196.338 1.908 20 0 ADADHO CNCCC[NH2+][C@H]1CCCC12CCC2 643498682 352972766 /nfs/dbraw/zinc/97/27/66/352972766.db2.gz ZKLARTROZYLFNM-NSHDSACASA-N 1 3 196.338 1.908 20 0 ADADHO CC[NH2+]CCCN[C@H](C)COCC 643498825 352972825 /nfs/dbraw/zinc/97/28/25/352972825.db2.gz FBUYWIJZBFCFAM-SNVBAGLBSA-N 1 3 188.315 1.001 20 0 ADADHO CCNCCC[NH2+][C@@H]1CCC[C@H]1C 643498918 352972899 /nfs/dbraw/zinc/97/28/99/352972899.db2.gz WBJFMYXXBZDZSN-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CCNCCC[NH2+][C@@H](CC)C1CC1 643498865 352972940 /nfs/dbraw/zinc/97/29/40/352972940.db2.gz NFJAKKVBFCUZFJ-NSHDSACASA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCCN[C@@H](C)COCC 643498824 352972953 /nfs/dbraw/zinc/97/29/53/352972953.db2.gz FBUYWIJZBFCFAM-JTQLQIEISA-N 1 3 188.315 1.001 20 0 ADADHO CC[NH2+]CCCN[C@@H](CC)COC 643498937 352973165 /nfs/dbraw/zinc/97/31/65/352973165.db2.gz XXDJWIJAASSTAQ-JTQLQIEISA-N 1 3 188.315 1.001 20 0 ADADHO CC[NH2+]CCCN[C@H](CC)COC 643498938 352973043 /nfs/dbraw/zinc/97/30/43/352973043.db2.gz XXDJWIJAASSTAQ-SNVBAGLBSA-N 1 3 188.315 1.001 20 0 ADADHO CCNCCC[NH2+][C@H](CC)C1CC1 643498864 352973089 /nfs/dbraw/zinc/97/30/89/352973089.db2.gz NFJAKKVBFCUZFJ-LLVKDONJSA-N 1 3 184.327 1.764 20 0 ADADHO CCNCCC[NH2+][C@@H]1CCC[C@@H]1C 643498921 352973152 /nfs/dbraw/zinc/97/31/52/352973152.db2.gz WBJFMYXXBZDZSN-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CCNCCC[NH2+][C@H]1CCC[C@H]1C 643498919 352973183 /nfs/dbraw/zinc/97/31/83/352973183.db2.gz WBJFMYXXBZDZSN-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[NH2+][C@@H]1CCCC12CCC2 643498681 352973308 /nfs/dbraw/zinc/97/33/08/352973308.db2.gz ZKLARTROZYLFNM-LLVKDONJSA-N 1 3 196.338 1.908 20 0 ADADHO CCNCCC[NH2+][C@H]1CCC[C@@H]1C 643498920 352973319 /nfs/dbraw/zinc/97/33/19/352973319.db2.gz WBJFMYXXBZDZSN-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CCNCCC[NH2+][C@H](C)CC1CC1 643498869 352973326 /nfs/dbraw/zinc/97/33/26/352973326.db2.gz OXJPFQVMULTELR-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CCNCCC[NH2+][C@@H](C)CC1CC1 643498868 352973347 /nfs/dbraw/zinc/97/33/47/352973347.db2.gz OXJPFQVMULTELR-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H]1CC[C@@H]1NC[C@@H]1CCCC[NH2+]1 643502591 352974022 /nfs/dbraw/zinc/97/40/22/352974022.db2.gz KVUWCMDYVVVTEF-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CC[C@@H]1NC[C@H]1CCCC[NH2+]1 643502590 352973698 /nfs/dbraw/zinc/97/36/98/352973698.db2.gz KVUWCMDYVVVTEF-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CC[C@H]1NC[C@H]1CCCC[NH2+]1 643502589 352973718 /nfs/dbraw/zinc/97/37/18/352973718.db2.gz KVUWCMDYVVVTEF-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCNC1 643499729 352973724 /nfs/dbraw/zinc/97/37/24/352973724.db2.gz LDKFMZSMZMDPKM-NOOOWODRSA-N 1 3 196.338 1.763 20 0 ADADHO C1CC([C@@H]2CC[C@H]2[NH2+][C@H]2CCNC2)C1 643499638 352973766 /nfs/dbraw/zinc/97/37/66/352973766.db2.gz AZTGQZOHLIXMHQ-SDDRHHMPSA-N 1 3 194.322 1.517 20 0 ADADHO C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCNC1 643499730 352973774 /nfs/dbraw/zinc/97/37/74/352973774.db2.gz LDKFMZSMZMDPKM-RHYQMDGZSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCNC1 643501177 352973780 /nfs/dbraw/zinc/97/37/80/352973780.db2.gz ZNZRGZQQYDJNNG-QJPTWQEYSA-N 1 3 196.338 1.764 20 0 ADADHO CCNCCC[NH2+][C@@H]1CC[C@H]1CC 643499204 352973790 /nfs/dbraw/zinc/97/37/90/352973790.db2.gz IGTZZXZDOCNIRY-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCCN[C@@H]1CC[C@H]1CC 643499204 352973792 /nfs/dbraw/zinc/97/37/92/352973792.db2.gz IGTZZXZDOCNIRY-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCNC1 643499755 352973803 /nfs/dbraw/zinc/97/38/03/352973803.db2.gz NDRGMNCBJCFULO-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCNC1 643499670 352973822 /nfs/dbraw/zinc/97/38/22/352973822.db2.gz DWRRSINAUNLYEV-OUAUKWLOSA-N 1 3 196.338 1.763 20 0 ADADHO C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2CCNC2)C1 643499639 352973835 /nfs/dbraw/zinc/97/38/35/352973835.db2.gz AZTGQZOHLIXMHQ-SRVKXCTJSA-N 1 3 194.322 1.517 20 0 ADADHO CC[C@@H]1CC[C@H]1NC[C@@H]1CCCC[NH2+]1 643502588 352973845 /nfs/dbraw/zinc/97/38/45/352973845.db2.gz KVUWCMDYVVVTEF-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO CCNCCC[NH2+][C@H]1CC[C@H]1CC 643499205 352973887 /nfs/dbraw/zinc/97/38/87/352973887.db2.gz IGTZZXZDOCNIRY-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCCN[C@H]1CC[C@H]1CC 643499205 352973891 /nfs/dbraw/zinc/97/38/91/352973891.db2.gz IGTZZXZDOCNIRY-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCNC1 643499754 352973960 /nfs/dbraw/zinc/97/39/60/352973960.db2.gz NDRGMNCBJCFULO-UWVGGRQHSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCNC1 643501176 352973968 /nfs/dbraw/zinc/97/39/68/352973968.db2.gz ZNZRGZQQYDJNNG-IJLUTSLNSA-N 1 3 196.338 1.764 20 0 ADADHO CCNCCC[NH2+][C@H]1CC[C@@H]1CC 643499206 352974029 /nfs/dbraw/zinc/97/40/29/352974029.db2.gz IGTZZXZDOCNIRY-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCCN[C@H]1CC[C@@H]1CC 643499206 352974033 /nfs/dbraw/zinc/97/40/33/352974033.db2.gz IGTZZXZDOCNIRY-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCNC1 643501178 352974070 /nfs/dbraw/zinc/97/40/70/352974070.db2.gz ZNZRGZQQYDJNNG-TUAOUCFPSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCNC1 643501179 352974076 /nfs/dbraw/zinc/97/40/76/352974076.db2.gz ZNZRGZQQYDJNNG-UTUOFQBUSA-N 1 3 196.338 1.764 20 0 ADADHO CC[NH2+]CCCN[C@H]1CCC12CCC2 643499223 352974087 /nfs/dbraw/zinc/97/40/87/352974087.db2.gz KBDPJHYKLDMUHS-NSHDSACASA-N 1 3 196.338 1.908 20 0 ADADHO CCNCCC[NH2+][C@H]1CCC12CCC2 643499223 352974090 /nfs/dbraw/zinc/97/40/90/352974090.db2.gz KBDPJHYKLDMUHS-NSHDSACASA-N 1 3 196.338 1.908 20 0 ADADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCNC1 643499671 352974209 /nfs/dbraw/zinc/97/42/09/352974209.db2.gz DWRRSINAUNLYEV-VWYCJHECSA-N 1 3 196.338 1.763 20 0 ADADHO CC[NH2+]CCCN[C@@H]1CCC12CCC2 643499222 352974214 /nfs/dbraw/zinc/97/42/14/352974214.db2.gz KBDPJHYKLDMUHS-LLVKDONJSA-N 1 3 196.338 1.908 20 0 ADADHO CCNCCC[NH2+][C@@H]1CCC12CCC2 643499222 352974217 /nfs/dbraw/zinc/97/42/17/352974217.db2.gz KBDPJHYKLDMUHS-LLVKDONJSA-N 1 3 196.338 1.908 20 0 ADADHO CCNCCC[NH2+][C@@H]1CC[C@@H]1CC 643499207 352974304 /nfs/dbraw/zinc/97/43/04/352974304.db2.gz IGTZZXZDOCNIRY-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCCN[C@@H]1CC[C@@H]1CC 643499207 352974306 /nfs/dbraw/zinc/97/43/06/352974306.db2.gz IGTZZXZDOCNIRY-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@@H](C)C1CCCC1 643504415 352974892 /nfs/dbraw/zinc/97/48/92/352974892.db2.gz DTYOMQHYEXUTGB-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@H](C)C1CCCC1 643504414 352974945 /nfs/dbraw/zinc/97/49/45/352974945.db2.gz DTYOMQHYEXUTGB-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@@H]1CCCC12CCC2 643504575 352975598 /nfs/dbraw/zinc/97/55/98/352975598.db2.gz JQHMODSNZHMUGP-SNVBAGLBSA-N 1 3 182.311 1.518 20 0 ADADHO C[NH2+]CCN[C@H]1CCCC12CCC2 643504574 352975642 /nfs/dbraw/zinc/97/56/42/352975642.db2.gz JQHMODSNZHMUGP-JTQLQIEISA-N 1 3 182.311 1.518 20 0 ADADHO C[NH2+]CCN[C@H](C)CCC=C(C)C 643504491 352975701 /nfs/dbraw/zinc/97/57/01/352975701.db2.gz XTFGPBWPMGHVJD-LLVKDONJSA-N 1 3 184.327 1.930 20 0 ADADHO C[NH2+]CCN[C@H]1CCCC12CCCC2 643504593 352975723 /nfs/dbraw/zinc/97/57/23/352975723.db2.gz MCCLRXXMGNIYAO-NSHDSACASA-N 1 3 196.338 1.908 20 0 ADADHO CC[C@@H](NCC[NH2+]C)C1CCC1 643504591 352975794 /nfs/dbraw/zinc/97/57/94/352975794.db2.gz LSKHEXJPUYFEBQ-SNVBAGLBSA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@H](NCC[NH2+]C)[C@@H]1C[C@H]1C 643504561 352975839 /nfs/dbraw/zinc/97/58/39/352975839.db2.gz HXRMQMSOSXGYKD-BBBLOLIVSA-N 1 3 170.300 1.230 20 0 ADADHO CC[C@H](NCC[NH2+]C)[C@H]1C[C@H]1C 643504563 352975869 /nfs/dbraw/zinc/97/58/69/352975869.db2.gz HXRMQMSOSXGYKD-UTLUCORTSA-N 1 3 170.300 1.230 20 0 ADADHO C[NH2+]CCN[C@@H](C)C(C)(C)C 643504486 352975881 /nfs/dbraw/zinc/97/58/81/352975881.db2.gz XDQXGEUUBNVXCI-QMMMGPOBSA-N 1 3 158.289 1.230 20 0 ADADHO C[NH2+]CCN[C@@H]1CCCC12CCCC2 643504592 352975964 /nfs/dbraw/zinc/97/59/64/352975964.db2.gz MCCLRXXMGNIYAO-LLVKDONJSA-N 1 3 196.338 1.908 20 0 ADADHO C[NH2+]CCN[C@@H](C)CCC=C(C)C 643504492 352975987 /nfs/dbraw/zinc/97/59/87/352975987.db2.gz XTFGPBWPMGHVJD-NSHDSACASA-N 1 3 184.327 1.930 20 0 ADADHO C[NH2+]CCNC1CCC2(CC1)CC2 643504545 352976134 /nfs/dbraw/zinc/97/61/34/352976134.db2.gz FUQXTXFNEMMMHP-UHFFFAOYSA-N 1 3 182.311 1.518 20 0 ADADHO CC[C@H](NCC[NH2+]C)[C@H]1C[C@@H]1C 643504562 352976140 /nfs/dbraw/zinc/97/61/40/352976140.db2.gz HXRMQMSOSXGYKD-GUBZILKMSA-N 1 3 170.300 1.230 20 0 ADADHO C[NH2+]CCN[C@H](C)C(C)(C)C 643504485 352976167 /nfs/dbraw/zinc/97/61/67/352976167.db2.gz XDQXGEUUBNVXCI-MRVPVSSYSA-N 1 3 158.289 1.230 20 0 ADADHO CC[C@H](NCC[NH2+]C)[C@@H]1C[C@@H]1C 643504560 352976184 /nfs/dbraw/zinc/97/61/84/352976184.db2.gz HXRMQMSOSXGYKD-AEJSXWLSSA-N 1 3 170.300 1.230 20 0 ADADHO CC[C@H](NCC[NH2+]C)C1CCC1 643504590 352976221 /nfs/dbraw/zinc/97/62/21/352976221.db2.gz LSKHEXJPUYFEBQ-JTQLQIEISA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@@H]1CC(C)(C)C[C@@H]1C 643504659 352976618 /nfs/dbraw/zinc/97/66/18/352976618.db2.gz UQKVPRYGEGZPPC-VHSXEESVSA-N 1 3 184.327 1.620 20 0 ADADHO CC[C@@H]1CCC[C@H]1NCC[NH2+]C 643504847 352976692 /nfs/dbraw/zinc/97/66/92/352976692.db2.gz WXHADAYRCHHIDR-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCN[C@H]1CC(C)(C)C[C@@H]1C 643504658 352976714 /nfs/dbraw/zinc/97/67/14/352976714.db2.gz UQKVPRYGEGZPPC-UWVGGRQHSA-N 1 3 184.327 1.620 20 0 ADADHO C[NH2+]CCN[C@@H]1CCCC(C)(C)C1 643504782 352976730 /nfs/dbraw/zinc/97/67/30/352976730.db2.gz NZRDUCQHSIEHGB-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@H](C)C1C(C)(C)C1(C)C 643504805 352976761 /nfs/dbraw/zinc/97/67/61/352976761.db2.gz SSNVSGYHJYMVTJ-SECBINFHSA-N 1 3 198.354 1.866 20 0 ADADHO CCC(C)(C)[C@@H](C)NCC[NH2+]C 643504620 352976774 /nfs/dbraw/zinc/97/67/74/352976774.db2.gz PKBUZXGNSAAWGE-SECBINFHSA-N 1 3 172.316 1.620 20 0 ADADHO C[NH2+]CCN[C@H]1CC(C)(C)C[C@H]1C 643504660 352976839 /nfs/dbraw/zinc/97/68/39/352976839.db2.gz UQKVPRYGEGZPPC-ZJUUUORDSA-N 1 3 184.327 1.620 20 0 ADADHO CC[C@H]1CCC[C@H]1NCC[NH2+]C 643504849 352976903 /nfs/dbraw/zinc/97/69/03/352976903.db2.gz WXHADAYRCHHIDR-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO CC[NH2+]CCN[C@H]1CCC[C@H]1CC 643505194 352976924 /nfs/dbraw/zinc/97/69/24/352976924.db2.gz AXKVZZXNUBNLBX-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@@H](C)C1C(C)(C)C1(C)C 643504806 352976931 /nfs/dbraw/zinc/97/69/31/352976931.db2.gz SSNVSGYHJYMVTJ-VIFPVBQESA-N 1 3 198.354 1.866 20 0 ADADHO CCC(C)(C)[C@H](C)NCC[NH2+]C 643504621 352976949 /nfs/dbraw/zinc/97/69/49/352976949.db2.gz PKBUZXGNSAAWGE-VIFPVBQESA-N 1 3 172.316 1.620 20 0 ADADHO C[NH2+]CCN[C@H]1CCCC(C)(C)C1 643504781 352976963 /nfs/dbraw/zinc/97/69/63/352976963.db2.gz NZRDUCQHSIEHGB-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCN[C@@H]1CC(C)(C)C[C@H]1C 643504657 352977041 /nfs/dbraw/zinc/97/70/41/352977041.db2.gz UQKVPRYGEGZPPC-NXEZZACHSA-N 1 3 184.327 1.620 20 0 ADADHO CC[C@H]1CCC[C@@H]1NCC[NH2+]C 643504848 352977064 /nfs/dbraw/zinc/97/70/64/352977064.db2.gz WXHADAYRCHHIDR-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@@H]1CCC[C@@H]1NCC[NH2+]C 643504850 352977200 /nfs/dbraw/zinc/97/72/00/352977200.db2.gz WXHADAYRCHHIDR-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO CC[NH2+]CCN[C@@H]1CCC[C@H]1CC 643505193 352977207 /nfs/dbraw/zinc/97/72/07/352977207.db2.gz AXKVZZXNUBNLBX-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@H](C)C(C)(C)C 643505210 352977579 /nfs/dbraw/zinc/97/75/79/352977579.db2.gz IZKITJOOTRHWBA-SECBINFHSA-N 1 3 172.316 1.620 20 0 ADADHO CC[NH2+]CCN[C@H](CC)C1CCC1 643505434 352977648 /nfs/dbraw/zinc/97/76/48/352977648.db2.gz IALKSIMCVDNXFC-LLVKDONJSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@@H](C)C(C)(C)C 643505211 352977690 /nfs/dbraw/zinc/97/76/90/352977690.db2.gz IZKITJOOTRHWBA-VIFPVBQESA-N 1 3 172.316 1.620 20 0 ADADHO CC[NH2+]CCN[C@H](CC)C1CC1 643505270 352977742 /nfs/dbraw/zinc/97/77/42/352977742.db2.gz YEQXNUCPZBZGDB-SNVBAGLBSA-N 1 3 170.300 1.374 20 0 ADADHO CC[NH2+]CCN[C@H]1CCC[C@@H]1CC 643505195 352977786 /nfs/dbraw/zinc/97/77/86/352977786.db2.gz AXKVZZXNUBNLBX-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@@H](CC)C1CC1 643505269 352977845 /nfs/dbraw/zinc/97/78/45/352977845.db2.gz YEQXNUCPZBZGDB-JTQLQIEISA-N 1 3 170.300 1.374 20 0 ADADHO CC[NH2+]CCN[C@@H]1CCC[C@@H]1CC 643505196 352977885 /nfs/dbraw/zinc/97/78/85/352977885.db2.gz AXKVZZXNUBNLBX-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@@H](CC)C1CCC1 643505435 352977893 /nfs/dbraw/zinc/97/78/93/352977893.db2.gz IALKSIMCVDNXFC-NSHDSACASA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@H](CC)C(C)C 643505366 352977910 /nfs/dbraw/zinc/97/79/10/352977910.db2.gz QFSMYLAGGLFCQP-SNVBAGLBSA-N 1 3 172.316 1.620 20 0 ADADHO CC[NH2+]CCN[C@@H]1CCCC12CCC2 643505498 352977958 /nfs/dbraw/zinc/97/79/58/352977958.db2.gz VAHXOBFLHIQKHO-LLVKDONJSA-N 1 3 196.338 1.908 20 0 ADADHO CC[NH2+]CCN[C@@H](CC)C(C)C 643505365 352977995 /nfs/dbraw/zinc/97/79/95/352977995.db2.gz QFSMYLAGGLFCQP-JTQLQIEISA-N 1 3 172.316 1.620 20 0 ADADHO CC[NH2+]CCN[C@H](C)C1CCCC1 643505377 352978031 /nfs/dbraw/zinc/97/80/31/352978031.db2.gz SOONBWWIJXAIDD-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCN[C@H](C(C)C)C1CC1 643505204 352978080 /nfs/dbraw/zinc/97/80/80/352978080.db2.gz DPOZJJOPTQDZQK-LLVKDONJSA-N 1 3 184.327 1.620 20 0 ADADHO CC[NH2+]CCN[C@H]1CCCC12CCC2 643505499 352978131 /nfs/dbraw/zinc/97/81/31/352978131.db2.gz VAHXOBFLHIQKHO-NSHDSACASA-N 1 3 196.338 1.908 20 0 ADADHO CC[NH2+]CCN[C@@H](C(C)C)C1CC1 643505205 352978235 /nfs/dbraw/zinc/97/82/35/352978235.db2.gz DPOZJJOPTQDZQK-NSHDSACASA-N 1 3 184.327 1.620 20 0 ADADHO CC[NH2+]CCN[C@@H](C)C1CCCC1 643505376 352978285 /nfs/dbraw/zinc/97/82/85/352978285.db2.gz SOONBWWIJXAIDD-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCNC1CCC2(CC1)CC2 643505497 352978307 /nfs/dbraw/zinc/97/83/07/352978307.db2.gz UTTILVSLIOSKJQ-UHFFFAOYSA-N 1 3 196.338 1.908 20 0 ADADHO CC[NH2+]CCN[C@H](CC)[C@H]1C[C@H]1C 643505660 352978588 /nfs/dbraw/zinc/97/85/88/352978588.db2.gz PMZWWXSDMVAUTO-OUAUKWLOSA-N 1 3 184.327 1.620 20 0 ADADHO CC[NH2+]CCN[C@H](CC)[C@@H]1C[C@H]1C 643505658 352978609 /nfs/dbraw/zinc/97/86/09/352978609.db2.gz PMZWWXSDMVAUTO-GMTAPVOTSA-N 1 3 184.327 1.620 20 0 ADADHO CC[NH2+]CCN[C@H](C1CCC1)C1CC1 643505712 352978885 /nfs/dbraw/zinc/97/88/85/352978885.db2.gz WQQBGDOICIZNBF-GFCCVEGCSA-N 1 3 196.338 1.764 20 0 ADADHO CC[NH2+]CCN[C@H](CC)[C@H]1C[C@@H]1C 643505657 352978910 /nfs/dbraw/zinc/97/89/10/352978910.db2.gz PMZWWXSDMVAUTO-GARJFASQSA-N 1 3 184.327 1.620 20 0 ADADHO CC[NH2+]CCN[C@H](CC)[C@@H]1C[C@@H]1C 643505659 352979038 /nfs/dbraw/zinc/97/90/38/352979038.db2.gz PMZWWXSDMVAUTO-HBNTYKKESA-N 1 3 184.327 1.620 20 0 ADADHO CC[C@H](NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C 643505960 352979188 /nfs/dbraw/zinc/97/91/88/352979188.db2.gz GCABLBIOYCNWJA-KXNHARMFSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@@H]1CCCN1)[C@@H]1C[C@H]1C 643505960 352979190 /nfs/dbraw/zinc/97/91/90/352979190.db2.gz GCABLBIOYCNWJA-KXNHARMFSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@@H]1C 643505959 352979209 /nfs/dbraw/zinc/97/92/09/352979209.db2.gz GCABLBIOYCNWJA-BJDJZHNGSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@@H]1CCCN1)[C@H]1C[C@@H]1C 643505959 352979212 /nfs/dbraw/zinc/97/92/12/352979212.db2.gz GCABLBIOYCNWJA-BJDJZHNGSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](CC1CC1)NCC[NH2+]C1CC1 643506224 352979672 /nfs/dbraw/zinc/97/96/72/352979672.db2.gz PBIFVDADOOXDML-VIFPVBQESA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@H](NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@@H]1C 643505962 352979739 /nfs/dbraw/zinc/97/97/39/352979739.db2.gz GCABLBIOYCNWJA-YFKTTZPYSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@@H]1CCCN1)[C@@H]1C[C@@H]1C 643505962 352979743 /nfs/dbraw/zinc/97/97/43/352979743.db2.gz GCABLBIOYCNWJA-YFKTTZPYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H](CC1CCC1)NCC[NH2+]C1CC1 643507044 352979898 /nfs/dbraw/zinc/97/98/98/352979898.db2.gz QUIQJYKLMPNNIO-JTQLQIEISA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](CC1CCC1)NCC[NH2+]C1CC1 643507045 352980040 /nfs/dbraw/zinc/98/00/40/352980040.db2.gz QUIQJYKLMPNNIO-SNVBAGLBSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](CC1CC1)NCC[NH2+]C1CC1 643506223 352980240 /nfs/dbraw/zinc/98/02/40/352980240.db2.gz PBIFVDADOOXDML-SECBINFHSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@H](NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@H]1C 643505961 352980273 /nfs/dbraw/zinc/98/02/73/352980273.db2.gz GCABLBIOYCNWJA-RHYQMDGZSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@@H]1CCCN1)[C@H]1C[C@H]1C 643505961 352980276 /nfs/dbraw/zinc/98/02/76/352980276.db2.gz GCABLBIOYCNWJA-RHYQMDGZSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@H]([NH3+])CN[C@@H]1CCC12CCC2 643511879 352983433 /nfs/dbraw/zinc/98/34/33/352983433.db2.gz JWNDUMRLISIJDL-GHMZBOCLSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)[C@H]([NH3+])CN[C@H]1CCC12CCC2 643511880 352983758 /nfs/dbraw/zinc/98/37/58/352983758.db2.gz JWNDUMRLISIJDL-MNOVXSKESA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)[C@@H]([NH3+])CN[C@H]1CCC12CCC2 643511881 352983617 /nfs/dbraw/zinc/98/36/17/352983617.db2.gz JWNDUMRLISIJDL-QWRGUYRKSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)[C@@H]([NH3+])CN[C@@H]1CCC12CCC2 643511882 352983741 /nfs/dbraw/zinc/98/37/41/352983741.db2.gz JWNDUMRLISIJDL-WDEREUQCSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CC[C@@H]1C1CCC1 643514903 352985138 /nfs/dbraw/zinc/98/51/38/352985138.db2.gz CTFHEOLAMMEZSF-JLLWLGSASA-N 1 3 196.338 1.750 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H]1C1CCC1 643514902 352985172 /nfs/dbraw/zinc/98/51/72/352985172.db2.gz CTFHEOLAMMEZSF-ADEWGFFLSA-N 1 3 196.338 1.750 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CCC12CCC2 643514798 352985201 /nfs/dbraw/zinc/98/52/01/352985201.db2.gz FPNBSBQUSVQISX-NXEZZACHSA-N 1 3 182.311 1.504 20 0 ADADHO C[C@H]1CC[C@@H](C)[C@H]([NH2+]C[C@H](C)CN)C1 643514985 352985279 /nfs/dbraw/zinc/98/52/79/352985279.db2.gz OPBQUROEKSUSDH-IRCOFANPSA-N 1 3 198.354 1.996 20 0 ADADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)CN 643514920 352985289 /nfs/dbraw/zinc/98/52/89/352985289.db2.gz GCQONKQXTYKKAN-NXEZZACHSA-N 1 3 186.343 1.996 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 643514835 352985352 /nfs/dbraw/zinc/98/53/52/352985352.db2.gz PBVCVNSEXPGBCQ-NNYUYHANSA-N 1 3 198.354 1.996 20 0 ADADHO CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)CN 643514923 352985380 /nfs/dbraw/zinc/98/53/80/352985380.db2.gz GCQONKQXTYKKAN-ZJUUUORDSA-N 1 3 186.343 1.996 20 0 ADADHO C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](C)CN 643514987 352985409 /nfs/dbraw/zinc/98/54/09/352985409.db2.gz OPBQUROEKSUSDH-WISYIIOYSA-N 1 3 198.354 1.996 20 0 ADADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)CN 643514922 352985416 /nfs/dbraw/zinc/98/54/16/352985416.db2.gz GCQONKQXTYKKAN-VHSXEESVSA-N 1 3 186.343 1.996 20 0 ADADHO C[C@H](CN)C[NH2+]C1CCC2(CC1)CC2 643514870 352985474 /nfs/dbraw/zinc/98/54/74/352985474.db2.gz YPEVGWPXLDSLMN-SNVBAGLBSA-N 1 3 196.338 1.894 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CCC12CCC2 643514801 352985484 /nfs/dbraw/zinc/98/54/84/352985484.db2.gz FPNBSBQUSVQISX-ZJUUUORDSA-N 1 3 182.311 1.504 20 0 ADADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)CN 643514770 352985494 /nfs/dbraw/zinc/98/54/94/352985494.db2.gz APWJTOUMXYERKS-IVZWLZJFSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@H]1CC[C@H](C)[C@H]([NH2+]C[C@H](C)CN)C1 643514986 352985507 /nfs/dbraw/zinc/98/55/07/352985507.db2.gz OPBQUROEKSUSDH-WHOHXGKFSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H](C)CN 643514781 352985516 /nfs/dbraw/zinc/98/55/16/352985516.db2.gz BGCVUKJBDUANGN-VWYCJHECSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CC(C)(C)C[C@H]1C 643514778 352985556 /nfs/dbraw/zinc/98/55/56/352985556.db2.gz BGCVUKJBDUANGN-GMTAPVOTSA-N 1 3 198.354 1.996 20 0 ADADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)CN 643514771 352985590 /nfs/dbraw/zinc/98/55/90/352985590.db2.gz APWJTOUMXYERKS-OPRDCNLKSA-N 1 3 170.300 1.359 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)CN 643514769 352985613 /nfs/dbraw/zinc/98/56/13/352985613.db2.gz APWJTOUMXYERKS-BBBLOLIVSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CCC12CCCC2 643514818 352985625 /nfs/dbraw/zinc/98/56/25/352985625.db2.gz MBWHDUCYICUSFU-GHMZBOCLSA-N 1 3 196.338 1.894 20 0 ADADHO C[C@@H](CN)C[NH2+]C1CCC2(CC1)CC2 643514869 352985632 /nfs/dbraw/zinc/98/56/32/352985632.db2.gz YPEVGWPXLDSLMN-JTQLQIEISA-N 1 3 196.338 1.894 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H]1CCC12CCC2 643514799 352985642 /nfs/dbraw/zinc/98/56/42/352985642.db2.gz FPNBSBQUSVQISX-UWVGGRQHSA-N 1 3 182.311 1.504 20 0 ADADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H](C)CN 643514780 352985650 /nfs/dbraw/zinc/98/56/50/352985650.db2.gz BGCVUKJBDUANGN-OUAUKWLOSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 643514984 352985666 /nfs/dbraw/zinc/98/56/66/352985666.db2.gz OPBQUROEKSUSDH-DDHJBXDOSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CCC12CCCC2 643514819 352985674 /nfs/dbraw/zinc/98/56/74/352985674.db2.gz MBWHDUCYICUSFU-MNOVXSKESA-N 1 3 196.338 1.894 20 0 ADADHO C[C@H]1CCC[C@H](C)C1[NH2+]C[C@H](C)CN 643514836 352985699 /nfs/dbraw/zinc/98/56/99/352985699.db2.gz PBVCVNSEXPGBCQ-VWYCJHECSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CC[C@H]1C1CCC1 643514904 352985731 /nfs/dbraw/zinc/98/57/31/352985731.db2.gz CTFHEOLAMMEZSF-USWWRNFRSA-N 1 3 196.338 1.750 20 0 ADADHO C[C@H](CN)C[NH2+]C1[C@H](C)CCC[C@H]1C 643514834 352985754 /nfs/dbraw/zinc/98/57/54/352985754.db2.gz PBVCVNSEXPGBCQ-GMTAPVOTSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H]1CCC[C@@H](C)[C@@H]1[NH2+]C[C@H](C)CN 643514837 352985760 /nfs/dbraw/zinc/98/57/60/352985760.db2.gz PBVCVNSEXPGBCQ-WYUUTHIRSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CC(C)(C)C[C@H]1C 643514779 352985766 /nfs/dbraw/zinc/98/57/66/352985766.db2.gz BGCVUKJBDUANGN-MXWKQRLJSA-N 1 3 198.354 1.996 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 643514905 352985775 /nfs/dbraw/zinc/98/57/75/352985775.db2.gz CTFHEOLAMMEZSF-YUSALJHKSA-N 1 3 196.338 1.750 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H]1CCC12CCC2 643514800 352985790 /nfs/dbraw/zinc/98/57/90/352985790.db2.gz FPNBSBQUSVQISX-VHSXEESVSA-N 1 3 182.311 1.504 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H]1CCC12CCCC2 643514820 352985813 /nfs/dbraw/zinc/98/58/13/352985813.db2.gz MBWHDUCYICUSFU-QWRGUYRKSA-N 1 3 196.338 1.894 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)CN 643514768 352985847 /nfs/dbraw/zinc/98/58/47/352985847.db2.gz APWJTOUMXYERKS-AEJSXWLSSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H]1CCC12CCCC2 643514821 352985863 /nfs/dbraw/zinc/98/58/63/352985863.db2.gz MBWHDUCYICUSFU-WDEREUQCSA-N 1 3 196.338 1.894 20 0 ADADHO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)CN 643514921 352985899 /nfs/dbraw/zinc/98/58/99/352985899.db2.gz GCQONKQXTYKKAN-UWVGGRQHSA-N 1 3 186.343 1.996 20 0 ADADHO CC[C@H]([NH2+]C[C@H](C)CN)[C@@H]1C[C@H]1C 643515019 352986226 /nfs/dbraw/zinc/98/62/26/352986226.db2.gz SBCIUWPNCJCMGB-DBIOUOCHSA-N 1 3 184.327 1.605 20 0 ADADHO CCC[NH2+]CCN[C@@H](CC)C1CC1 643515221 352986258 /nfs/dbraw/zinc/98/62/58/352986258.db2.gz JCLLAOMYIMUPPI-NSHDSACASA-N 1 3 184.327 1.764 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CCCC12CCC2 643515032 352986263 /nfs/dbraw/zinc/98/62/63/352986263.db2.gz TWLKMWLMRTXXCN-MNOVXSKESA-N 1 3 196.338 1.894 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H]1CCCC12CCC2 643515033 352986357 /nfs/dbraw/zinc/98/63/57/352986357.db2.gz TWLKMWLMRTXXCN-QWRGUYRKSA-N 1 3 196.338 1.894 20 0 ADADHO CC[C@H]([NH2+]C[C@H](C)CN)[C@H]1C[C@H]1C 643515022 352986439 /nfs/dbraw/zinc/98/64/39/352986439.db2.gz SBCIUWPNCJCMGB-ZNSHCXBVSA-N 1 3 184.327 1.605 20 0 ADADHO CC[C@H]([NH2+]C[C@H](C)CN)[C@@H]1C[C@@H]1C 643515021 352986510 /nfs/dbraw/zinc/98/65/10/352986510.db2.gz SBCIUWPNCJCMGB-YTWAJWBKSA-N 1 3 184.327 1.605 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CCCC12CCC2 643515031 352986534 /nfs/dbraw/zinc/98/65/34/352986534.db2.gz TWLKMWLMRTXXCN-GHMZBOCLSA-N 1 3 196.338 1.894 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H]1CCCC12CCC2 643515034 352986548 /nfs/dbraw/zinc/98/65/48/352986548.db2.gz TWLKMWLMRTXXCN-WDEREUQCSA-N 1 3 196.338 1.894 20 0 ADADHO CCC[NH2+]CCN[C@H](CC)C1CC1 643515220 352986560 /nfs/dbraw/zinc/98/65/60/352986560.db2.gz JCLLAOMYIMUPPI-LLVKDONJSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@H]([NH2+]C[C@H](C)CN)[C@H]1C[C@@H]1C 643515020 352986669 /nfs/dbraw/zinc/98/66/69/352986669.db2.gz SBCIUWPNCJCMGB-RCWTZXSCSA-N 1 3 184.327 1.605 20 0 ADADHO C[C@H]1C[C@H](C)CC[C@H]1[NH2+]CC1CNC1 643516121 352987204 /nfs/dbraw/zinc/98/72/04/352987204.db2.gz LKIVRPDMDXPTLL-JFGNBEQYSA-N 1 3 196.338 1.620 20 0 ADADHO CC(C)CC[C@H](C)[NH2+]CC1CNC1 643515705 352987284 /nfs/dbraw/zinc/98/72/84/352987284.db2.gz UISGQWGRHJALIJ-JTQLQIEISA-N 1 3 184.327 1.620 20 0 ADADHO CC(C)[C@H]([NH2+]CC1CNC1)C1CC1 643516058 352987297 /nfs/dbraw/zinc/98/72/97/352987297.db2.gz ULJSIFGIMYVDPL-NSHDSACASA-N 1 3 182.311 1.230 20 0 ADADHO CC(C)=CCC[C@@H](C)[NH2+]CC1CNC1 643516065 352987310 /nfs/dbraw/zinc/98/73/10/352987310.db2.gz VEPUCJSKMDRXBS-LLVKDONJSA-N 1 3 196.338 1.930 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+]CC2CNC2)[C@H](C)C1 643516120 352987318 /nfs/dbraw/zinc/98/73/18/352987318.db2.gz LKIVRPDMDXPTLL-FOGDFJRCSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]([NH2+]CC1CNC1)C(C)(C)C 643516060 352987330 /nfs/dbraw/zinc/98/73/30/352987330.db2.gz UNQRSNWOJVFHRE-QMMMGPOBSA-N 1 3 170.300 1.230 20 0 ADADHO CC(C)[C@@H]([NH2+]CC1CNC1)C1CC1 643516057 352987337 /nfs/dbraw/zinc/98/73/37/352987337.db2.gz ULJSIFGIMYVDPL-LLVKDONJSA-N 1 3 182.311 1.230 20 0 ADADHO CC(C)=CCC[C@H](C)[NH2+]CC1CNC1 643516066 352987483 /nfs/dbraw/zinc/98/74/83/352987483.db2.gz VEPUCJSKMDRXBS-NSHDSACASA-N 1 3 196.338 1.930 20 0 ADADHO CC[C@H]1CC[C@@H]1N[C@H]1CCC[NH2+]C1 643515675 352987509 /nfs/dbraw/zinc/98/75/09/352987509.db2.gz LIKSRDFOWDAUAR-DCAQKATOSA-N 1 3 182.311 1.517 20 0 ADADHO CCCC(CCC)[NH2+]CC1CNC1 643515725 352987613 /nfs/dbraw/zinc/98/76/13/352987613.db2.gz YWBFKTPPAJMYSM-UHFFFAOYSA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H]([NH2+]CC1CNC1)C(C)C 643515683 352987629 /nfs/dbraw/zinc/98/76/29/352987629.db2.gz MWTSLOUJNWBJMJ-SNVBAGLBSA-N 1 3 170.300 1.230 20 0 ADADHO C[C@@H]([NH2+]CC1CNC1)C1CCCC1 643516055 352987651 /nfs/dbraw/zinc/98/76/51/352987651.db2.gz UFIPXJFLKKORDY-SECBINFHSA-N 1 3 182.311 1.374 20 0 ADADHO C[C@@H]([NH2+]CC1CNC1)C(C)(C)C 643516059 352987667 /nfs/dbraw/zinc/98/76/67/352987667.db2.gz UNQRSNWOJVFHRE-MRVPVSSYSA-N 1 3 170.300 1.230 20 0 ADADHO CC[C@H]1CC[C@H]1N[C@H]1CCC[NH2+]C1 643515676 352987741 /nfs/dbraw/zinc/98/77/41/352987741.db2.gz LIKSRDFOWDAUAR-GARJFASQSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+]CC2CNC2)[C@H](C)C1 643516119 352987758 /nfs/dbraw/zinc/98/77/58/352987758.db2.gz LKIVRPDMDXPTLL-CKYFFXLPSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]([NH2+]CC1CNC1)C1CCCC1 643516056 352987825 /nfs/dbraw/zinc/98/78/25/352987825.db2.gz UFIPXJFLKKORDY-VIFPVBQESA-N 1 3 182.311 1.374 20 0 ADADHO CC[C@H]([NH2+]CC1CNC1)C(C)C 643515682 352987860 /nfs/dbraw/zinc/98/78/60/352987860.db2.gz MWTSLOUJNWBJMJ-JTQLQIEISA-N 1 3 170.300 1.230 20 0 ADADHO C[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1CNC1 643516122 352987891 /nfs/dbraw/zinc/98/78/91/352987891.db2.gz LKIVRPDMDXPTLL-SCVCMEIPSA-N 1 3 196.338 1.620 20 0 ADADHO C1CC([C@H]2CC[C@H]2[NH2+]CC2CNC2)C1 643516487 352988189 /nfs/dbraw/zinc/98/81/89/352988189.db2.gz GABSNGNOKPFWFU-VXGBXAGGSA-N 1 3 194.322 1.374 20 0 ADADHO C1CC([C@@H]([NH2+]CC2CNC2)C2CC2)C1 643516554 352988197 /nfs/dbraw/zinc/98/81/97/352988197.db2.gz QROKAASMILYTLN-GFCCVEGCSA-N 1 3 194.322 1.374 20 0 ADADHO [NH3+][C@H](CN[C@H]1CCC12CCC2)C1CC1 643516624 352988241 /nfs/dbraw/zinc/98/82/41/352988241.db2.gz BHRUINAUDSLHSC-MNOVXSKESA-N 1 3 194.322 1.646 20 0 ADADHO C[C@H]1C[C@@H]([NH2+]CC2CNC2)CC[C@H]1C 643516194 352988249 /nfs/dbraw/zinc/98/82/49/352988249.db2.gz ZNUJEPYOJBFWMM-SCVCMEIPSA-N 1 3 196.338 1.620 20 0 ADADHO C1CC([C@H]([NH2+]CC2CNC2)C2CC2)C1 643516555 352988324 /nfs/dbraw/zinc/98/83/24/352988324.db2.gz QROKAASMILYTLN-LBPRGKRZSA-N 1 3 194.322 1.374 20 0 ADADHO C1CC([C@@H]2CC[C@H]2[NH2+]CC2CNC2)C1 643516485 352988364 /nfs/dbraw/zinc/98/83/64/352988364.db2.gz GABSNGNOKPFWFU-NWDGAFQWSA-N 1 3 194.322 1.374 20 0 ADADHO CCC[C@@H](CC)[NH2+]CC1CNC1 643516145 352988368 /nfs/dbraw/zinc/98/83/68/352988368.db2.gz SSPHEMRMMRKPPK-SNVBAGLBSA-N 1 3 170.300 1.374 20 0 ADADHO C1CC([C@H]2CC[C@@H]2[NH2+]CC2CNC2)C1 643516484 352988376 /nfs/dbraw/zinc/98/83/76/352988376.db2.gz GABSNGNOKPFWFU-NEPJUHHUSA-N 1 3 194.322 1.374 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+]CC2CNC2)C[C@H]1C 643516192 352988398 /nfs/dbraw/zinc/98/83/98/352988398.db2.gz ZNUJEPYOJBFWMM-FOGDFJRCSA-N 1 3 196.338 1.620 20 0 ADADHO CCC[C@H](CC)[NH2+]CC1CNC1 643516144 352988403 /nfs/dbraw/zinc/98/84/03/352988403.db2.gz SSPHEMRMMRKPPK-JTQLQIEISA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@H]([NH2+]CC1CNC1)C1CCCC1 643516600 352988411 /nfs/dbraw/zinc/98/84/11/352988411.db2.gz YNRJOQVVAVTCRR-LBPRGKRZSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2CNC2)C1 643516506 352988503 /nfs/dbraw/zinc/98/85/03/352988503.db2.gz IJDUEFYYJPNDFN-FOGDFJRCSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2CNC2)C1 643516505 352988511 /nfs/dbraw/zinc/98/85/11/352988511.db2.gz IJDUEFYYJPNDFN-CKYFFXLPSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CNC1 643516507 352988519 /nfs/dbraw/zinc/98/85/19/352988519.db2.gz IJDUEFYYJPNDFN-JFGNBEQYSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+]CC2CNC2)C[C@H]1C 643516191 352988525 /nfs/dbraw/zinc/98/85/25/352988525.db2.gz ZNUJEPYOJBFWMM-CKYFFXLPSA-N 1 3 196.338 1.620 20 0 ADADHO C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CNC1 643516508 352988536 /nfs/dbraw/zinc/98/85/36/352988536.db2.gz IJDUEFYYJPNDFN-SCVCMEIPSA-N 1 3 196.338 1.620 20 0 ADADHO [NH3+][C@H](CN[C@@H]1CCC12CCC2)C1CC1 643516623 352988584 /nfs/dbraw/zinc/98/85/84/352988584.db2.gz BHRUINAUDSLHSC-GHMZBOCLSA-N 1 3 194.322 1.646 20 0 ADADHO CCC(C)(C)[C@H](C)[NH2+]CC1CNC1 643516514 352988609 /nfs/dbraw/zinc/98/86/09/352988609.db2.gz IUIYOEVVWYOGNQ-VIFPVBQESA-N 1 3 184.327 1.620 20 0 ADADHO CCC(C)(C)[C@@H](C)[NH2+]CC1CNC1 643516513 352988613 /nfs/dbraw/zinc/98/86/13/352988613.db2.gz IUIYOEVVWYOGNQ-SECBINFHSA-N 1 3 184.327 1.620 20 0 ADADHO CC[C@@H]([NH2+]CC1CNC1)C1CCCC1 643516599 352988667 /nfs/dbraw/zinc/98/86/67/352988667.db2.gz YNRJOQVVAVTCRR-GFCCVEGCSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H](CC1CCCC1)[NH2+]CC1CNC1 643516158 352988671 /nfs/dbraw/zinc/98/86/71/352988671.db2.gz UYULPBAZNLNWHT-SNVBAGLBSA-N 1 3 196.338 1.764 20 0 ADADHO [NH3+][C@@H](CN[C@H]1CCC12CCC2)C1CC1 643516625 352988677 /nfs/dbraw/zinc/98/86/77/352988677.db2.gz BHRUINAUDSLHSC-QWRGUYRKSA-N 1 3 194.322 1.646 20 0 ADADHO C1CC([C@@H]2CC[C@@H]2[NH2+]CC2CNC2)C1 643516486 352988696 /nfs/dbraw/zinc/98/86/96/352988696.db2.gz GABSNGNOKPFWFU-RYUDHWBXSA-N 1 3 194.322 1.374 20 0 ADADHO C[C@@H](CC1CCCC1)[NH2+]CC1CNC1 643516157 352988699 /nfs/dbraw/zinc/98/86/99/352988699.db2.gz UYULPBAZNLNWHT-JTQLQIEISA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]1C[C@H]([NH2+]CC2CNC2)CC[C@H]1C 643516193 352988707 /nfs/dbraw/zinc/98/87/07/352988707.db2.gz ZNUJEPYOJBFWMM-JFGNBEQYSA-N 1 3 196.338 1.620 20 0 ADADHO [NH3+][C@@H](CN[C@@H]1CCC12CCC2)C1CC1 643516626 352989466 /nfs/dbraw/zinc/98/94/66/352989466.db2.gz BHRUINAUDSLHSC-WDEREUQCSA-N 1 3 194.322 1.646 20 0 ADADHO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCNCC1 643523269 352991611 /nfs/dbraw/zinc/99/16/11/352991611.db2.gz ZBIAPJKSQQXAQW-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCNCC1 643523270 352991723 /nfs/dbraw/zinc/99/17/23/352991723.db2.gz ZBIAPJKSQQXAQW-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]1CC[C@H]1N[C@@H]1CCC[NH2+]C1 643523524 352991767 /nfs/dbraw/zinc/99/17/67/352991767.db2.gz LIKSRDFOWDAUAR-HBNTYKKESA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@H]1CC[C@@H]1N[C@@H]1CCC[NH2+]C1 643523523 352991829 /nfs/dbraw/zinc/99/18/29/352991829.db2.gz LIKSRDFOWDAUAR-AXFHLTTASA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCNCC1 643523271 352991956 /nfs/dbraw/zinc/99/19/56/352991956.db2.gz ZBIAPJKSQQXAQW-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCNCC1 643523272 352992042 /nfs/dbraw/zinc/99/20/42/352992042.db2.gz ZBIAPJKSQQXAQW-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+]C[C@@H](C)N)c1ccc(F)cc1 643525997 352993345 /nfs/dbraw/zinc/99/33/45/352993345.db2.gz LVLXSTGMTPYBQQ-BDAKNGLRSA-N 1 3 196.269 1.824 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN[C@@H](C)C1 643525956 352992399 /nfs/dbraw/zinc/99/23/99/352992399.db2.gz JWRJMSPBQQDSIG-USZNOCQGSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)CCN1 643525934 352992416 /nfs/dbraw/zinc/99/24/16/352992416.db2.gz IWPFUUANRKSLRG-GMTAPVOTSA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 643525954 352992462 /nfs/dbraw/zinc/99/24/62/352992462.db2.gz JWRJMSPBQQDSIG-KKOKHZNYSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](N)C[NH2+][C@@H](C)c1cccs1 643525702 352992529 /nfs/dbraw/zinc/99/25/29/352992529.db2.gz BKPXPPQEZOULAA-YUMQZZPRSA-N 1 3 184.308 1.746 20 0 ADADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(F)cc1 643525999 352992550 /nfs/dbraw/zinc/99/25/50/352992550.db2.gz LVLXSTGMTPYBQQ-IUCAKERBSA-N 1 3 196.269 1.824 20 0 ADADHO CC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C1CC1 643525806 352992557 /nfs/dbraw/zinc/99/25/57/352992557.db2.gz OWCBDHXLULWHLD-WCQGTBRESA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)CCN1 643525935 352992598 /nfs/dbraw/zinc/99/25/98/352992598.db2.gz IWPFUUANRKSLRG-MXWKQRLJSA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN[C@H](C)C1 643525957 352992650 /nfs/dbraw/zinc/99/26/50/352992650.db2.gz JWRJMSPBQQDSIG-WYUUTHIRSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](N)C[NH2+][C@H](C)c1ccc(F)cc1 643525998 352992709 /nfs/dbraw/zinc/99/27/09/352992709.db2.gz LVLXSTGMTPYBQQ-DTWKUNHWSA-N 1 3 196.269 1.824 20 0 ADADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CC1 643525494 352992723 /nfs/dbraw/zinc/99/27/23/352992723.db2.gz XKWIVKWNNJKEDK-WCABBAIRSA-N 1 3 182.311 1.515 20 0 ADADHO C[C@H]([NH2+]C[C@@H](C)N)c1cccs1 643525701 352992747 /nfs/dbraw/zinc/99/27/47/352992747.db2.gz BKPXPPQEZOULAA-SFYZADRCSA-N 1 3 184.308 1.746 20 0 ADADHO C[C@@H](N)C[NH2+][C@H](C)c1cccs1 643525699 352992771 /nfs/dbraw/zinc/99/27/71/352992771.db2.gz BKPXPPQEZOULAA-HTQZYQBOSA-N 1 3 184.308 1.746 20 0 ADADHO CC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C1CC1 643525803 352992864 /nfs/dbraw/zinc/99/28/64/352992864.db2.gz OWCBDHXLULWHLD-DLOVCJGASA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)CCN1 643525937 352992931 /nfs/dbraw/zinc/99/29/31/352992931.db2.gz IWPFUUANRKSLRG-VWYCJHECSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1C[C@@H]([NH2+][C@H](C)C2CC2)CCN1 643525493 352993023 /nfs/dbraw/zinc/99/30/23/352993023.db2.gz XKWIVKWNNJKEDK-KKZNHRDASA-N 1 3 182.311 1.515 20 0 ADADHO CC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CC1 643525805 352993098 /nfs/dbraw/zinc/99/30/98/352993098.db2.gz OWCBDHXLULWHLD-USWWRNFRSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)CCN1 643525936 352993117 /nfs/dbraw/zinc/99/31/17/352993117.db2.gz IWPFUUANRKSLRG-OUAUKWLOSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(F)cc1 643526000 352993144 /nfs/dbraw/zinc/99/31/44/352993144.db2.gz LVLXSTGMTPYBQQ-RKDXNWHRSA-N 1 3 196.269 1.824 20 0 ADADHO C[C@H](N)C[NH2+][C@H](C)c1cccs1 643525700 352993167 /nfs/dbraw/zinc/99/31/67/352993167.db2.gz BKPXPPQEZOULAA-JGVFFNPUSA-N 1 3 184.308 1.746 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN[C@@H](C)C1 643525955 352993186 /nfs/dbraw/zinc/99/31/86/352993186.db2.gz JWRJMSPBQQDSIG-QCNOEVLYSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1C[C@H]([NH2+][C@H](C)C2CC2)CCN1 643525492 352993285 /nfs/dbraw/zinc/99/32/85/352993285.db2.gz XKWIVKWNNJKEDK-FXPVBKGRSA-N 1 3 182.311 1.515 20 0 ADADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CC1 643525495 352993329 /nfs/dbraw/zinc/99/33/29/352993329.db2.gz XKWIVKWNNJKEDK-YWVKMMECSA-N 1 3 182.311 1.515 20 0 ADADHO CC[C@@H]1CC[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C 643525460 352993359 /nfs/dbraw/zinc/99/33/59/352993359.db2.gz UHBCKVZUEMVIQB-KKOKHZNYSA-N 1 3 196.338 1.905 20 0 ADADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CC1 643525804 352993368 /nfs/dbraw/zinc/99/33/68/352993368.db2.gz OWCBDHXLULWHLD-JLLWLGSASA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H](CCc1ccco1)NC[C@@H](C)[NH3+] 643527072 352993604 /nfs/dbraw/zinc/99/36/04/352993604.db2.gz CRORLEMEEIDGNU-ZJUUUORDSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@H]([NH3+])CN[C@@H]1CCC12CCC2 643527012 352993804 /nfs/dbraw/zinc/99/38/04/352993804.db2.gz JTGUEHGTJRDWJV-DTWKUNHWSA-N 1 3 168.284 1.256 20 0 ADADHO C[C@@H]([NH3+])CN[C@@H]1CCC12CCC2 643527070 352993816 /nfs/dbraw/zinc/99/38/16/352993816.db2.gz JTGUEHGTJRDWJV-RKDXNWHRSA-N 1 3 168.284 1.256 20 0 ADADHO C[C@@H]([NH3+])CN[C@H]1CCC12CCC2 643527011 352993868 /nfs/dbraw/zinc/99/38/68/352993868.db2.gz JTGUEHGTJRDWJV-BDAKNGLRSA-N 1 3 168.284 1.256 20 0 ADADHO C[C@H]([NH3+])CN[C@H]1CCC12CCC2 643527068 352994091 /nfs/dbraw/zinc/99/40/91/352994091.db2.gz JTGUEHGTJRDWJV-IUCAKERBSA-N 1 3 168.284 1.256 20 0 ADADHO C[C@H]([NH3+])CN[C@@H](C)CCc1ccco1 643527069 352994146 /nfs/dbraw/zinc/99/41/46/352994146.db2.gz CRORLEMEEIDGNU-UWVGGRQHSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@@H]([NH3+])CN[C@H](C)CCc1ccco1 643527067 352994208 /nfs/dbraw/zinc/99/42/08/352994208.db2.gz CRORLEMEEIDGNU-NXEZZACHSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@H]([NH3+])CN[C@H](C)CCc1ccco1 643527071 352994222 /nfs/dbraw/zinc/99/42/22/352994222.db2.gz CRORLEMEEIDGNU-VHSXEESVSA-N 1 3 196.294 1.538 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H](C)C1CC1 643529739 352996335 /nfs/dbraw/zinc/99/63/35/352996335.db2.gz QXNPDUAQKSSWPE-BDAKNGLRSA-N 1 3 170.300 1.373 20 0 ADADHO CC[C@@H]([NH2+]C[C@H](C)N)c1ccncc1 643529580 352996360 /nfs/dbraw/zinc/99/63/60/352996360.db2.gz CWPDKBRKJXMSQE-GXSJLCMTSA-N 1 3 193.294 1.470 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H](C)C1CC1 643529740 352996391 /nfs/dbraw/zinc/99/63/91/352996391.db2.gz QXNPDUAQKSSWPE-RKDXNWHRSA-N 1 3 170.300 1.373 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H](CC)C1CC1 643529603 352996498 /nfs/dbraw/zinc/99/64/98/352996498.db2.gz FQZCHLNJKWDQDB-MWLCHTKSSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@@H](C)N)c1ccncc1 643529581 352996506 /nfs/dbraw/zinc/99/65/06/352996506.db2.gz CWPDKBRKJXMSQE-KOLCDFICSA-N 1 3 193.294 1.470 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H](CC)C1CC1 643529602 352996527 /nfs/dbraw/zinc/99/65/27/352996527.db2.gz FQZCHLNJKWDQDB-KOLCDFICSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H]([NH3+])CN[C@@H](C)Cc1cccs1 643529389 352996603 /nfs/dbraw/zinc/99/66/03/352996603.db2.gz ZCUJWXQDDQJGMU-IUCAKERBSA-N 1 3 198.335 1.616 20 0 ADADHO C[C@@H](Cc1cccs1)NC[C@@H](C)[NH3+] 643529387 352996625 /nfs/dbraw/zinc/99/66/25/352996625.db2.gz ZCUJWXQDDQJGMU-BDAKNGLRSA-N 1 3 198.335 1.616 20 0 ADADHO C[C@@H]([NH3+])CN[C@H](C)Cc1cccs1 643529390 352996749 /nfs/dbraw/zinc/99/67/49/352996749.db2.gz ZCUJWXQDDQJGMU-RKDXNWHRSA-N 1 3 198.335 1.616 20 0 ADADHO C[C@H]([NH3+])CN[C@H](C)Cc1cccs1 643529388 352996767 /nfs/dbraw/zinc/99/67/67/352996767.db2.gz ZCUJWXQDDQJGMU-DTWKUNHWSA-N 1 3 198.335 1.616 20 0 ADADHO CC[C@@H]([NH2+]C[C@@H](C)N)c1ccncc1 643529582 352996805 /nfs/dbraw/zinc/99/68/05/352996805.db2.gz CWPDKBRKJXMSQE-MWLCHTKSSA-N 1 3 193.294 1.470 20 0 ADADHO CC[C@H]([NH2+]C[C@H](C)N)c1ccncc1 643529583 352996837 /nfs/dbraw/zinc/99/68/37/352996837.db2.gz CWPDKBRKJXMSQE-ONGXEEELSA-N 1 3 193.294 1.470 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H]1CC 643530017 352997359 /nfs/dbraw/zinc/99/73/59/352997359.db2.gz WZYPLZTVBQNTEV-OUAUKWLOSA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+][C@H](C)CNC(C1CC1)C1CC1 643529872 352997393 /nfs/dbraw/zinc/99/73/93/352997393.db2.gz SFDAFUQBJKZQNX-SECBINFHSA-N 1 3 196.338 1.763 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H]1CC[C@@H]1CC 643530018 352997529 /nfs/dbraw/zinc/99/75/29/352997529.db2.gz WZYPLZTVBQNTEV-VWYCJHECSA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H](C)C(C)C 643529918 352997570 /nfs/dbraw/zinc/99/75/70/352997570.db2.gz WXUUHVNQKNVYSX-ZJUUUORDSA-N 1 3 172.316 1.619 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H]1CC[C@H]1CC 643530016 352997690 /nfs/dbraw/zinc/99/76/90/352997690.db2.gz WZYPLZTVBQNTEV-MXWKQRLJSA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+][C@H](C)CN[C@H](C)C(C)C 643529917 352997743 /nfs/dbraw/zinc/99/77/43/352997743.db2.gz WXUUHVNQKNVYSX-NXEZZACHSA-N 1 3 172.316 1.619 20 0 ADADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H]1CC 643530015 352997849 /nfs/dbraw/zinc/99/78/49/352997849.db2.gz WZYPLZTVBQNTEV-GMTAPVOTSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C 643533615 353000228 /nfs/dbraw/zinc/00/02/28/353000228.db2.gz XWFKFXXEXIFLJA-AXTSPUMRSA-N 1 3 182.311 1.228 20 0 ADADHO C[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC1(C)C 643533635 353000057 /nfs/dbraw/zinc/00/00/57/353000057.db2.gz ZAZDKKINQIHDEV-QUARPLMYSA-N 1 3 194.322 1.228 20 0 ADADHO CC[C@@H]1CCC[C@@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643533583 353000061 /nfs/dbraw/zinc/00/00/61/353000061.db2.gz SSZMYFXRBWYAAX-GCHJQGSQSA-N 1 3 194.322 1.373 20 0 ADADHO CC[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1C[C@H]1C 643533754 353000072 /nfs/dbraw/zinc/00/00/72/353000072.db2.gz CWUGRTIZIGUPDR-NAFSEIKSSA-N 1 3 194.322 1.228 20 0 ADADHO CC[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C 643533420 353000077 /nfs/dbraw/zinc/00/00/77/353000077.db2.gz UBVDVQZBNQWDIE-ZRUFSTJUSA-N 1 3 182.311 1.228 20 0 ADADHO CC[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1C[C@@H]1C 643533752 353000093 /nfs/dbraw/zinc/00/00/93/353000093.db2.gz CWUGRTIZIGUPDR-GUWRXMSHSA-N 1 3 194.322 1.228 20 0 ADADHO CC[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1C[C@H]1C 643533755 353000100 /nfs/dbraw/zinc/00/01/00/353000100.db2.gz CWUGRTIZIGUPDR-UCFKJQRDSA-N 1 3 194.322 1.228 20 0 ADADHO C[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CCCC1 643533326 353000111 /nfs/dbraw/zinc/00/01/11/353000111.db2.gz INQXYKIKBDZMPF-OHBODLIOSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C 643533618 353000118 /nfs/dbraw/zinc/00/01/18/353000118.db2.gz XWFKFXXEXIFLJA-IMSYWVGJSA-N 1 3 182.311 1.228 20 0 ADADHO C[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC1(C)C 643533633 353000147 /nfs/dbraw/zinc/00/01/47/353000147.db2.gz ZAZDKKINQIHDEV-FBDQPXRJSA-N 1 3 194.322 1.228 20 0 ADADHO CC[C@@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C 643533419 353000201 /nfs/dbraw/zinc/00/02/01/353000201.db2.gz UBVDVQZBNQWDIE-YTWAJWBKSA-N 1 3 182.311 1.228 20 0 ADADHO CC(C)[C@@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 643533512 353000223 /nfs/dbraw/zinc/00/02/23/353000223.db2.gz JVNCGEAHTSQVBX-KXNHARMFSA-N 1 3 194.322 1.228 20 0 ADADHO CC(C)[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 643533514 353000247 /nfs/dbraw/zinc/00/02/47/353000247.db2.gz JVNCGEAHTSQVBX-WHOHXGKFSA-N 1 3 194.322 1.228 20 0 ADADHO CC[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1C[C@@H]1C 643533753 353000275 /nfs/dbraw/zinc/00/02/75/353000275.db2.gz CWUGRTIZIGUPDR-IQMQYZSSSA-N 1 3 194.322 1.228 20 0 ADADHO CC[C@@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C 643533473 353000301 /nfs/dbraw/zinc/00/03/01/353000301.db2.gz FKLIAUZEYJPNPQ-YTWAJWBKSA-N 1 3 196.338 1.619 20 0 ADADHO C1CC2(C1)CC[C@@H]2N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643533518 353000308 /nfs/dbraw/zinc/00/03/08/353000308.db2.gz JZOJHXLQMRVJLR-ZRUFSTJUSA-N 1 3 192.306 1.127 20 0 ADADHO CC[C@@H]1CCC[C@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643533585 353000315 /nfs/dbraw/zinc/00/03/15/353000315.db2.gz SSZMYFXRBWYAAX-ZIQFBCGOSA-N 1 3 194.322 1.373 20 0 ADADHO CC[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C 643533474 353000337 /nfs/dbraw/zinc/00/03/37/353000337.db2.gz FKLIAUZEYJPNPQ-ZRUFSTJUSA-N 1 3 196.338 1.619 20 0 ADADHO C[C@@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CCCC1 643533327 353000396 /nfs/dbraw/zinc/00/03/96/353000396.db2.gz INQXYKIKBDZMPF-YJQGPUDQSA-N 1 3 194.322 1.373 20 0 ADADHO C1CC2(C1)CC[C@H]2N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643533517 353000425 /nfs/dbraw/zinc/00/04/25/353000425.db2.gz JZOJHXLQMRVJLR-YTWAJWBKSA-N 1 3 192.306 1.127 20 0 ADADHO CCC(C)(C)[C@@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643534041 353000748 /nfs/dbraw/zinc/00/07/48/353000748.db2.gz KBRSXQGNWPJECL-ZNSHCXBVSA-N 1 3 196.338 1.619 20 0 ADADHO CC[C@@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CCC1 643534248 353000751 /nfs/dbraw/zinc/00/07/51/353000751.db2.gz OVSFKXPGGNZZSK-KXNHARMFSA-N 1 3 194.322 1.373 20 0 ADADHO CC[C@H]1CCC[C@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643538932 353000811 /nfs/dbraw/zinc/00/08/11/353000811.db2.gz SSZMYFXRBWYAAX-PREPNJAASA-N 1 3 194.322 1.373 20 0 ADADHO CC[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CCC1 643534250 353000815 /nfs/dbraw/zinc/00/08/15/353000815.db2.gz OVSFKXPGGNZZSK-WHOHXGKFSA-N 1 3 194.322 1.373 20 0 ADADHO CC[C@@H](C)[C@@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643538994 353000838 /nfs/dbraw/zinc/00/08/38/353000838.db2.gz HLWQUJOHSDZLPY-APLZJWDSSA-N 1 3 182.311 1.228 20 0 ADADHO CC[C@H]1CCC[C@@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643538931 353000842 /nfs/dbraw/zinc/00/08/42/353000842.db2.gz SSZMYFXRBWYAAX-HHHUOAJASA-N 1 3 194.322 1.373 20 0 ADADHO CCC(C)(C)[C@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643534040 353000898 /nfs/dbraw/zinc/00/08/98/353000898.db2.gz KBRSXQGNWPJECL-UKKRHICBSA-N 1 3 196.338 1.619 20 0 ADADHO CC[C@@H](C)[C@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643538995 353000916 /nfs/dbraw/zinc/00/09/16/353000916.db2.gz HLWQUJOHSDZLPY-XXFSISAASA-N 1 3 182.311 1.228 20 0 ADADHO CC[C@H]([NH3+])CN[C@H]1CCC12CCC2 643540415 353002227 /nfs/dbraw/zinc/00/22/27/353002227.db2.gz DSRYMEVNDVGQQZ-UWVGGRQHSA-N 1 3 182.311 1.646 20 0 ADADHO CC[C@H]([NH3+])CN[C@@H]1CCC12CCC2 643540416 353002495 /nfs/dbraw/zinc/00/24/95/353002495.db2.gz DSRYMEVNDVGQQZ-VHSXEESVSA-N 1 3 182.311 1.646 20 0 ADADHO CC[C@@H]([NH3+])CN[C@@H]1CCC12CCC2 643540414 353002543 /nfs/dbraw/zinc/00/25/43/353002543.db2.gz DSRYMEVNDVGQQZ-NXEZZACHSA-N 1 3 182.311 1.646 20 0 ADADHO CC[C@@H]([NH3+])CN[C@H]1CCC12CCC2 643540417 353002568 /nfs/dbraw/zinc/00/25/68/353002568.db2.gz DSRYMEVNDVGQQZ-ZJUUUORDSA-N 1 3 182.311 1.646 20 0 ADADHO CC[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)N 643549116 353003950 /nfs/dbraw/zinc/00/39/50/353003950.db2.gz BTTNTESRDBGMDH-AEJSXWLSSA-N 1 3 172.316 1.748 20 0 ADADHO CC[C@@H]1CC[C@H]1[NH2+]CCCNC1CC1 643545096 353003964 /nfs/dbraw/zinc/00/39/64/353003964.db2.gz OTXOEYJMUZILLE-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H](C)C[NH2+][C@H](C)C[C@H](C)N 643549123 353003973 /nfs/dbraw/zinc/00/39/73/353003973.db2.gz BTTNTESRDBGMDH-LPEHRKFASA-N 1 3 172.316 1.748 20 0 ADADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCNC1CC1 643545095 353004055 /nfs/dbraw/zinc/00/40/55/353004055.db2.gz OTXOEYJMUZILLE-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]1CC[C@H]1[NH2+]CCCNC1CC1 643545093 353004089 /nfs/dbraw/zinc/00/40/89/353004089.db2.gz OTXOEYJMUZILLE-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H](C)C[NH2+][C@H](C)C[C@@H](C)N 643549122 353004093 /nfs/dbraw/zinc/00/40/93/353004093.db2.gz BTTNTESRDBGMDH-IVZWLZJFSA-N 1 3 172.316 1.748 20 0 ADADHO CC[C@H]1CC[C@@H]1[NH2+]CCCNC1CC1 643545094 353004106 /nfs/dbraw/zinc/00/41/06/353004106.db2.gz OTXOEYJMUZILLE-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO [NH3+][C@@H]1CCCC[C@H]1NCCCF 643895121 353008557 /nfs/dbraw/zinc/00/85/57/353008557.db2.gz QVACMROXPBYWFW-RKDXNWHRSA-N 1 3 174.263 1.206 20 0 ADADHO CCCC[C@@H](C)[NH2+]CC1CNC1 165182518 371676776 /nfs/dbraw/zinc/67/67/76/371676776.db2.gz ONDXNFPQEAJCLI-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO CCCC[C@H](C)[NH2+]CC1CNC1 165182638 371676871 /nfs/dbraw/zinc/67/68/71/371676871.db2.gz ONDXNFPQEAJCLI-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO C[C@@H]1CCN(CCCF)C[C@@H]1C[NH3+] 167656674 371684000 /nfs/dbraw/zinc/68/40/00/371684000.db2.gz XUOMWGPGFKTCJH-ZJUUUORDSA-N 1 3 188.290 1.263 20 0 ADADHO C[C@@H]1CC[N@H+](CCCF)C[C@@H]1CN 167656674 371684004 /nfs/dbraw/zinc/68/40/04/371684004.db2.gz XUOMWGPGFKTCJH-ZJUUUORDSA-N 1 3 188.290 1.263 20 0 ADADHO C[C@@H]1CC[N@@H+](CCCF)C[C@@H]1CN 167656674 371684010 /nfs/dbraw/zinc/68/40/10/371684010.db2.gz XUOMWGPGFKTCJH-ZJUUUORDSA-N 1 3 188.290 1.263 20 0 ADADHO C[C@H]1CCN(CCCF)C[C@@H]1C[NH3+] 167656783 371684035 /nfs/dbraw/zinc/68/40/35/371684035.db2.gz XUOMWGPGFKTCJH-UWVGGRQHSA-N 1 3 188.290 1.263 20 0 ADADHO C[C@H]1CC[N@H+](CCCF)C[C@@H]1CN 167656783 371684040 /nfs/dbraw/zinc/68/40/40/371684040.db2.gz XUOMWGPGFKTCJH-UWVGGRQHSA-N 1 3 188.290 1.263 20 0 ADADHO C[C@H]1CC[N@@H+](CCCF)C[C@@H]1CN 167656783 371684044 /nfs/dbraw/zinc/68/40/44/371684044.db2.gz XUOMWGPGFKTCJH-UWVGGRQHSA-N 1 3 188.290 1.263 20 0 ADADHO CC[NH2+]CCN[C@H](C)[C@H](C)CC 318996657 371784935 /nfs/dbraw/zinc/78/49/35/371784935.db2.gz LVMPFIZDXKKPGB-NXEZZACHSA-N 1 3 172.316 1.620 20 0 ADADHO CC[NH2+]CCN[C@@H](C)[C@@H](C)CC 318996658 371785059 /nfs/dbraw/zinc/78/50/59/371785059.db2.gz LVMPFIZDXKKPGB-UWVGGRQHSA-N 1 3 172.316 1.620 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+]CCCNC 318989296 371785088 /nfs/dbraw/zinc/78/50/88/371785088.db2.gz KDJAEWBTDWVMGS-VHSXEESVSA-N 1 3 172.316 1.620 20 0 ADADHO CC[NH2+]CCN[C@@H](C)[C@H](C)CC 318996660 371785505 /nfs/dbraw/zinc/78/55/05/371785505.db2.gz LVMPFIZDXKKPGB-ZJUUUORDSA-N 1 3 172.316 1.620 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+]CCCNC 318989294 371785560 /nfs/dbraw/zinc/78/55/60/371785560.db2.gz KDJAEWBTDWVMGS-UWVGGRQHSA-N 1 3 172.316 1.620 20 0 ADADHO CC[NH2+]CCN[C@H](C)[C@@H](C)CC 318996659 371785600 /nfs/dbraw/zinc/78/56/00/371785600.db2.gz LVMPFIZDXKKPGB-VHSXEESVSA-N 1 3 172.316 1.620 20 0 ADADHO CC[C@@H](C)[C@@H](C)[NH2+]CCCNC 318989292 371785751 /nfs/dbraw/zinc/78/57/51/371785751.db2.gz KDJAEWBTDWVMGS-NXEZZACHSA-N 1 3 172.316 1.620 20 0 ADADHO CC[C@@H](C)[C@H](C)[NH2+]CCCNC 318989298 371785759 /nfs/dbraw/zinc/78/57/59/371785759.db2.gz KDJAEWBTDWVMGS-ZJUUUORDSA-N 1 3 172.316 1.620 20 0 ADADHO CCNCCC[NH2+][C@@H](C)C(C)C 319008821 371785780 /nfs/dbraw/zinc/78/57/80/371785780.db2.gz OSZCAMQPMVICIK-JTQLQIEISA-N 1 3 172.316 1.620 20 0 ADADHO CCNCCC[NH2+][C@H](C)C(C)C 319008824 371785787 /nfs/dbraw/zinc/78/57/87/371785787.db2.gz OSZCAMQPMVICIK-SNVBAGLBSA-N 1 3 172.316 1.620 20 0 ADADHO CC[C@H](C)[NH2+][C@@H](C)C[C@H](C)N 320721367 371788652 /nfs/dbraw/zinc/78/86/52/371788652.db2.gz RICPJVNTUKBNQH-CIUDSAMLSA-N 1 3 158.289 1.500 20 0 ADADHO CC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)N 320721369 371788747 /nfs/dbraw/zinc/78/87/47/371788747.db2.gz RICPJVNTUKBNQH-VGMNWLOBSA-N 1 3 158.289 1.500 20 0 ADADHO CCC(CC)[NH2+][C@@H](C)C[C@@H](C)N 320670232 371788844 /nfs/dbraw/zinc/78/88/44/371788844.db2.gz JLRNQZOJIKURRO-BDAKNGLRSA-N 1 3 172.316 1.890 20 0 ADADHO CCC(CC)[NH2+][C@@H](C)C[C@H](C)N 320670234 371788993 /nfs/dbraw/zinc/78/89/93/371788993.db2.gz JLRNQZOJIKURRO-IUCAKERBSA-N 1 3 172.316 1.890 20 0 ADADHO CCC(CC)[NH2+][C@H](C)C[C@@H](C)N 320670235 371789148 /nfs/dbraw/zinc/78/91/48/371789148.db2.gz JLRNQZOJIKURRO-RKDXNWHRSA-N 1 3 172.316 1.890 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]C1CCCC1 320756251 371789182 /nfs/dbraw/zinc/78/91/82/371789182.db2.gz WOVYFDABMPOIFM-BDAKNGLRSA-N 1 3 170.300 1.644 20 0 ADADHO CC[C@H](C)[NH2+][C@H](C)C[C@@H](C)N 320721368 371789245 /nfs/dbraw/zinc/78/92/45/371789245.db2.gz RICPJVNTUKBNQH-HRDYMLBCSA-N 1 3 158.289 1.500 20 0 ADADHO CC[C@H](C)[NH2+][C@H](C)C[C@H](C)N 320721370 371789264 /nfs/dbraw/zinc/78/92/64/371789264.db2.gz RICPJVNTUKBNQH-XHNCKOQMSA-N 1 3 158.289 1.500 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]C1CCCC1 320756252 371789359 /nfs/dbraw/zinc/78/93/59/371789359.db2.gz WOVYFDABMPOIFM-DTWKUNHWSA-N 1 3 170.300 1.644 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCCC1 320756254 371789462 /nfs/dbraw/zinc/78/94/62/371789462.db2.gz WOVYFDABMPOIFM-RKDXNWHRSA-N 1 3 170.300 1.644 20 0 ADADHO CCC(CC)[NH2+][C@H](C)C[C@H](C)N 320670233 371789476 /nfs/dbraw/zinc/78/94/76/371789476.db2.gz JLRNQZOJIKURRO-DTWKUNHWSA-N 1 3 172.316 1.890 20 0 ADADHO CCC[C@H](C)[NH2+][C@H](C)C[C@H](C)N 320741183 371789530 /nfs/dbraw/zinc/78/95/30/371789530.db2.gz USLRRQNEEJDLTA-LPEHRKFASA-N 1 3 172.316 1.890 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]C1CCCC1 320756253 371789551 /nfs/dbraw/zinc/78/95/51/371789551.db2.gz WOVYFDABMPOIFM-IUCAKERBSA-N 1 3 170.300 1.644 20 0 ADADHO CCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)N 320741181 371789635 /nfs/dbraw/zinc/78/96/35/371789635.db2.gz USLRRQNEEJDLTA-GUBZILKMSA-N 1 3 172.316 1.890 20 0 ADADHO CCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)N 320741182 371789665 /nfs/dbraw/zinc/78/96/65/371789665.db2.gz USLRRQNEEJDLTA-KXUCPTDWSA-N 1 3 172.316 1.890 20 0 ADADHO CCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)N 320741184 371789681 /nfs/dbraw/zinc/78/96/81/371789681.db2.gz USLRRQNEEJDLTA-UTLUCORTSA-N 1 3 172.316 1.890 20 0 ADADHO CC[C@H]([NH2+]C[C@H]1CCCN1)C1CC1 324211155 371796032 /nfs/dbraw/zinc/79/60/32/371796032.db2.gz UXPKASTYLGOFGS-MNOVXSKESA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@H]([NH2+][C@H]1CCCNCC1)C1CC1 323661953 371794041 /nfs/dbraw/zinc/79/40/41/371794041.db2.gz AEHKGCXGEVOSJH-RYUDHWBXSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)[C@@H]([NH2+][C@H]1CCNC1)C1CC1 324101025 371794176 /nfs/dbraw/zinc/79/41/76/371794176.db2.gz JBTFYRKZNJVLCS-WDEREUQCSA-N 1 3 182.311 1.373 20 0 ADADHO CC(C)[C@H]([NH2+]C[C@H](C)CN)C1CC1 324113139 371794271 /nfs/dbraw/zinc/79/42/71/371794271.db2.gz LLHMQZYDVXUBBO-KOLCDFICSA-N 1 3 184.327 1.605 20 0 ADADHO CC(C)[C@@H]([NH2+][C@@H]1CCNC1)C1CC1 324101022 371794355 /nfs/dbraw/zinc/79/43/55/371794355.db2.gz JBTFYRKZNJVLCS-GHMZBOCLSA-N 1 3 182.311 1.373 20 0 ADADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 323776539 371794423 /nfs/dbraw/zinc/79/44/23/371794423.db2.gz YZYAFTQJPMDMSK-PWSUYJOCSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@@H]([NH2+][C@H]1CCCNCC1)C1CC1 323661952 371794455 /nfs/dbraw/zinc/79/44/55/371794455.db2.gz AEHKGCXGEVOSJH-NWDGAFQWSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]([NH2+][C@@H]1CCCNCC1)C1CC1 323661954 371794505 /nfs/dbraw/zinc/79/45/05/371794505.db2.gz AEHKGCXGEVOSJH-VXGBXAGGSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]([NH2+]C[C@H]1CCCN1)C1CC1 324211153 371794547 /nfs/dbraw/zinc/79/45/47/371794547.db2.gz UXPKASTYLGOFGS-GHMZBOCLSA-N 1 3 182.311 1.517 20 0 ADADHO CC(C)[C@@H]([NH2+]C[C@H](C)CN)C1CC1 324113140 371794637 /nfs/dbraw/zinc/79/46/37/371794637.db2.gz LLHMQZYDVXUBBO-MWLCHTKSSA-N 1 3 184.327 1.605 20 0 ADADHO CC[C@H]([NH2+][C@@H]1CCCNCC1)C1CC1 323661951 371794669 /nfs/dbraw/zinc/79/46/69/371794669.db2.gz AEHKGCXGEVOSJH-NEPJUHHUSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)[C@@H]([NH2+]C[C@@H](C)CN)C1CC1 324113138 371794727 /nfs/dbraw/zinc/79/47/27/371794727.db2.gz LLHMQZYDVXUBBO-GXSJLCMTSA-N 1 3 184.327 1.605 20 0 ADADHO CC[C@H]([NH2+]C[C@H]1CCCNC1)C1CC1 323776538 371794751 /nfs/dbraw/zinc/79/47/51/371794751.db2.gz YZYAFTQJPMDMSK-JQWIXIFHSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)[C@H]([NH2+][C@@H]1CCNC1)C1CC1 324101023 371794819 /nfs/dbraw/zinc/79/48/19/371794819.db2.gz JBTFYRKZNJVLCS-MNOVXSKESA-N 1 3 182.311 1.373 20 0 ADADHO CC(C)[C@H]([NH2+]C[C@@H](C)CN)C1CC1 324113141 371794826 /nfs/dbraw/zinc/79/48/26/371794826.db2.gz LLHMQZYDVXUBBO-ONGXEEELSA-N 1 3 184.327 1.605 20 0 ADADHO CC[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 323776540 371794873 /nfs/dbraw/zinc/79/48/73/371794873.db2.gz YZYAFTQJPMDMSK-ZYHUDNBSSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@H]([NH2+]C1CCNCC1)C1CC1 324193253 371794902 /nfs/dbraw/zinc/79/49/02/371794902.db2.gz ROFISJKYNGLOBN-NSHDSACASA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]([NH2+]C1CCNCC1)C1CC1 324193250 371794921 /nfs/dbraw/zinc/79/49/21/371794921.db2.gz ROFISJKYNGLOBN-LLVKDONJSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]([NH2+]C[C@H]1CCCNC1)C1CC1 323776537 371794936 /nfs/dbraw/zinc/79/49/36/371794936.db2.gz YZYAFTQJPMDMSK-CMPLNLGQSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)[C@H]([NH2+][C@H]1CCNC1)C1CC1 324101024 371794985 /nfs/dbraw/zinc/79/49/85/371794985.db2.gz JBTFYRKZNJVLCS-QWRGUYRKSA-N 1 3 182.311 1.373 20 0 ADADHO CC(C)[C@H](NC[C@@H]1CCC[NH2+]1)C1CC1 324391119 371795799 /nfs/dbraw/zinc/79/57/99/371795799.db2.gz NBPJQMOBNVMMKD-RYUDHWBXSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@H]([NH2+]C[C@@H]1CCCN1)C1CC1 324391119 371795805 /nfs/dbraw/zinc/79/58/05/371795805.db2.gz NBPJQMOBNVMMKD-RYUDHWBXSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@@H]1CCCN1)C1CC1 324211158 371795847 /nfs/dbraw/zinc/79/58/47/371795847.db2.gz UXPKASTYLGOFGS-QWRGUYRKSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]([NH2+]C[C@@H]1CCCN1)C1CC1 324211161 371796366 /nfs/dbraw/zinc/79/63/66/371796366.db2.gz UXPKASTYLGOFGS-WDEREUQCSA-N 1 3 182.311 1.517 20 0 ADADHO CC(C)[C@H]([NH2+]C1CCNCC1)C1CC1 324359491 371796425 /nfs/dbraw/zinc/79/64/25/371796425.db2.gz HLYDVZHKDOEJRT-LBPRGKRZSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@@H](NC[C@@H]1CCC[NH2+]1)C1CC1 324391118 371796484 /nfs/dbraw/zinc/79/64/84/371796484.db2.gz NBPJQMOBNVMMKD-NWDGAFQWSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCCN1)C1CC1 324391118 371796493 /nfs/dbraw/zinc/79/64/93/371796493.db2.gz NBPJQMOBNVMMKD-NWDGAFQWSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@@H](C)CN)C1CC1 324464449 371796838 /nfs/dbraw/zinc/79/68/38/371796838.db2.gz MGEJQCWTHYAPTA-WPRPVWTQSA-N 1 3 170.300 1.359 20 0 ADADHO CC(C)[C@@H](NC[C@H]1CCC[NH2+]1)C1CC1 324391120 371796506 /nfs/dbraw/zinc/79/65/06/371796506.db2.gz NBPJQMOBNVMMKD-VXGBXAGGSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@@H]([NH2+]C[C@H]1CCCN1)C1CC1 324391120 371796512 /nfs/dbraw/zinc/79/65/12/371796512.db2.gz NBPJQMOBNVMMKD-VXGBXAGGSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@@H]([NH2+]C[C@H](C)CN)C1CC1 324464439 371796550 /nfs/dbraw/zinc/79/65/50/371796550.db2.gz MGEJQCWTHYAPTA-PSASIEDQSA-N 1 3 170.300 1.359 20 0 ADADHO CC[C@H]([NH2+][C@@H]1CCNC1)C1CC1 324529662 371796592 /nfs/dbraw/zinc/79/65/92/371796592.db2.gz XXEJSLMFVWNPQC-ZJUUUORDSA-N 1 3 168.284 1.127 20 0 ADADHO CC(C)[C@H](NC[C@H]1CCC[NH2+]1)C1CC1 324391117 371796630 /nfs/dbraw/zinc/79/66/30/371796630.db2.gz NBPJQMOBNVMMKD-NEPJUHHUSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@H]([NH2+]C[C@H]1CCCN1)C1CC1 324391117 371796638 /nfs/dbraw/zinc/79/66/38/371796638.db2.gz NBPJQMOBNVMMKD-NEPJUHHUSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@H](C)CN)C1CC1 324464443 371796817 /nfs/dbraw/zinc/79/68/17/371796817.db2.gz MGEJQCWTHYAPTA-SCZZXKLOSA-N 1 3 170.300 1.359 20 0 ADADHO CC[C@H]([NH2+][C@H]1CCNC1)C1CC1 324529660 371796891 /nfs/dbraw/zinc/79/68/91/371796891.db2.gz XXEJSLMFVWNPQC-UWVGGRQHSA-N 1 3 168.284 1.127 20 0 ADADHO CC(C)[C@@H]([NH2+]C1CCNCC1)C1CC1 324359490 371796955 /nfs/dbraw/zinc/79/69/55/371796955.db2.gz HLYDVZHKDOEJRT-GFCCVEGCSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@@H]([NH2+][C@@H]1CCNC1)C1CC1 324529659 371796993 /nfs/dbraw/zinc/79/69/93/371796993.db2.gz XXEJSLMFVWNPQC-NXEZZACHSA-N 1 3 168.284 1.127 20 0 ADADHO CC[C@@H]([NH2+]C[C@@H](C)CN)C1CC1 324464446 371797002 /nfs/dbraw/zinc/79/70/02/371797002.db2.gz MGEJQCWTHYAPTA-WCBMZHEXSA-N 1 3 170.300 1.359 20 0 ADADHO CC[C@@H]([NH2+][C@H]1CCNC1)C1CC1 324529661 371797027 /nfs/dbraw/zinc/79/70/27/371797027.db2.gz XXEJSLMFVWNPQC-VHSXEESVSA-N 1 3 168.284 1.127 20 0 ADADHO NC1CC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 575488962 371824817 /nfs/dbraw/zinc/82/48/17/371824817.db2.gz UNNGBNJIRDRLIM-CPVIWBHCSA-N 1 3 180.295 1.254 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 644166460 371878038 /nfs/dbraw/zinc/87/80/38/371878038.db2.gz KDSPTJIHTDYMIG-BSJXLVFVSA-N 1 3 196.338 1.890 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)N[C@@H]1C[C@H]1C1CCC1 644166460 371878045 /nfs/dbraw/zinc/87/80/45/371878045.db2.gz KDSPTJIHTDYMIG-BSJXLVFVSA-N 1 3 196.338 1.890 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 644166463 371878260 /nfs/dbraw/zinc/87/82/60/371878260.db2.gz KDSPTJIHTDYMIG-PKZYVASSSA-N 1 3 196.338 1.890 20 0 ADADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1C[C@H]1C1CCC1 644166463 371878269 /nfs/dbraw/zinc/87/82/69/371878269.db2.gz KDSPTJIHTDYMIG-PKZYVASSSA-N 1 3 196.338 1.890 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 644166461 371878429 /nfs/dbraw/zinc/87/84/29/371878429.db2.gz KDSPTJIHTDYMIG-FSZOTQKASA-N 1 3 196.338 1.890 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H]1C1CCC1 644166461 371878434 /nfs/dbraw/zinc/87/84/34/371878434.db2.gz KDSPTJIHTDYMIG-FSZOTQKASA-N 1 3 196.338 1.890 20 0 ADADHO C[C@H](N[C@@H]1C[C@H]1C1CCC1)C1C[NH2+]C1 644166465 371878949 /nfs/dbraw/zinc/87/89/49/371878949.db2.gz KLLILVOTIHHXBV-KPXOXKRLSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)C1CNC1 644166465 371878958 /nfs/dbraw/zinc/87/89/58/371878958.db2.gz KLLILVOTIHHXBV-KPXOXKRLSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+][C@@H]1C[C@H]1C1CCC1 644166462 371879112 /nfs/dbraw/zinc/87/91/12/371879112.db2.gz KDSPTJIHTDYMIG-LLHIFLOGSA-N 1 3 196.338 1.890 20 0 ADADHO C[C@@H](C[C@@H](C)[NH3+])N[C@@H]1C[C@H]1C1CCC1 644166462 371879119 /nfs/dbraw/zinc/87/91/19/371879119.db2.gz KDSPTJIHTDYMIG-LLHIFLOGSA-N 1 3 196.338 1.890 20 0 ADADHO C[C@@H](N[C@@H]1C[C@H]1C1CCC1)C1C[NH2+]C1 644166464 371879187 /nfs/dbraw/zinc/87/91/87/371879187.db2.gz KLLILVOTIHHXBV-JFUSQASVSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)C1CNC1 644166464 371879190 /nfs/dbraw/zinc/87/91/90/371879190.db2.gz KLLILVOTIHHXBV-JFUSQASVSA-N 1 3 194.322 1.373 20 0 ADADHO C[C@@H]1OCC[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] 644166675 371880000 /nfs/dbraw/zinc/88/00/00/371880000.db2.gz UBAZHNPWKMJFAP-LNFKQOIKSA-N 1 3 198.310 1.023 20 0 ADADHO [NH3+][C@H]1CCC[C@@H]1N[C@@H]1C[C@H]1C1CCC1 644166533 371880050 /nfs/dbraw/zinc/88/00/50/371880050.db2.gz XWEAONRFQHGDMT-FIQHERPVSA-N 1 3 194.322 1.644 20 0 ADADHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]1C1CCC1 644166536 371880223 /nfs/dbraw/zinc/88/02/23/371880223.db2.gz XWEAONRFQHGDMT-WHOHXGKFSA-N 1 3 194.322 1.644 20 0 ADADHO C[C@H]1OCC[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] 644166674 371880262 /nfs/dbraw/zinc/88/02/62/371880262.db2.gz UBAZHNPWKMJFAP-GWOFURMSSA-N 1 3 198.310 1.023 20 0 ADADHO [NH3+][C@H]1CCC[C@H]1N[C@@H]1C[C@H]1C1CCC1 644166535 371880526 /nfs/dbraw/zinc/88/05/26/371880526.db2.gz XWEAONRFQHGDMT-NNYUYHANSA-N 1 3 194.322 1.644 20 0 ADADHO [NH3+][C@@H]1CCC[C@H]1N[C@@H]1C[C@H]1C1CCC1 644166534 371880561 /nfs/dbraw/zinc/88/05/61/371880561.db2.gz XWEAONRFQHGDMT-IRCOFANPSA-N 1 3 194.322 1.644 20 0 ADADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] 644166676 371880626 /nfs/dbraw/zinc/88/06/26/371880626.db2.gz UBAZHNPWKMJFAP-ZRUFSTJUSA-N 1 3 198.310 1.023 20 0 ADADHO C[C@H]1OCC[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] 644166673 371881321 /nfs/dbraw/zinc/88/13/21/371881321.db2.gz UBAZHNPWKMJFAP-CHWFTXMASA-N 1 3 198.310 1.023 20 0 ADADHO C[C@]1(CN2CCCCCC2)CC[NH2+]C1 62910767 375312477 /nfs/dbraw/zinc/31/24/77/375312477.db2.gz YREYGNXUGQQGKZ-LBPRGKRZSA-N 1 3 196.338 1.862 20 0 ADADHO C[C@H]1CCCCCN1CC(C)(C)[NH3+] 69945344 375318131 /nfs/dbraw/zinc/31/81/31/375318131.db2.gz VWUWYGBTECZRTI-JTQLQIEISA-N 1 3 184.327 1.988 20 0 ADADHO C[C@@H]1C[C@@H](C)[N@H+](CCCN)C1 59440767 375305288 /nfs/dbraw/zinc/30/52/88/375305288.db2.gz DNFORMPUDIVIFO-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCN)C1 59440767 375305295 /nfs/dbraw/zinc/30/52/95/375305295.db2.gz DNFORMPUDIVIFO-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1C[C@H](C)[N@H+](CCCN)C1 59440766 375305789 /nfs/dbraw/zinc/30/57/89/375305789.db2.gz DNFORMPUDIVIFO-IUCAKERBSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1C[C@H](C)[N@@H+](CCCN)C1 59440766 375305795 /nfs/dbraw/zinc/30/57/95/375305795.db2.gz DNFORMPUDIVIFO-IUCAKERBSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1C[C@@H](C)C[N@H+]1CCCN 59440765 375305817 /nfs/dbraw/zinc/30/58/17/375305817.db2.gz DNFORMPUDIVIFO-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1C[C@@H](C)C[N@@H+]1CCCN 59440765 375305824 /nfs/dbraw/zinc/30/58/24/375305824.db2.gz DNFORMPUDIVIFO-BDAKNGLRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1C[C@@H](C)[N@H+](CCCN)C1 59440768 375306388 /nfs/dbraw/zinc/30/63/88/375306388.db2.gz DNFORMPUDIVIFO-DTWKUNHWSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@H]1C[C@@H](C)[N@@H+](CCCN)C1 59440768 375306393 /nfs/dbraw/zinc/30/63/93/375306393.db2.gz DNFORMPUDIVIFO-DTWKUNHWSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@]1(C[NH2+]C2CCCC2)CCCNC1 62862256 375312651 /nfs/dbraw/zinc/31/26/51/375312651.db2.gz WXXULCSKVFGUFP-GFCCVEGCSA-N 1 3 196.338 1.908 20 0 ADADHO C[C@@]1(CN2CCCCCC2)CC[NH2+]C1 62910768 375312903 /nfs/dbraw/zinc/31/29/03/375312903.db2.gz YREYGNXUGQQGKZ-GFCCVEGCSA-N 1 3 196.338 1.862 20 0 ADADHO C[C@]1(C[NH2+]C2CCCC2)CCCNC1 62862255 375313075 /nfs/dbraw/zinc/31/30/75/375313075.db2.gz WXXULCSKVFGUFP-LBPRGKRZSA-N 1 3 196.338 1.908 20 0 ADADHO CC1(C)CCC[N@@H+]1C[C@@H]1CCCNC1 63067275 375313824 /nfs/dbraw/zinc/31/38/24/375313824.db2.gz GNCRQYMBAQAFOC-LLVKDONJSA-N 1 3 196.338 1.860 20 0 ADADHO CC1(C)CCC[N@H+]1C[C@@H]1CCCNC1 63067275 375313826 /nfs/dbraw/zinc/31/38/26/375313826.db2.gz GNCRQYMBAQAFOC-LLVKDONJSA-N 1 3 196.338 1.860 20 0 ADADHO C[C@@H]([NH2+]C1CCNCC1)C1CCCC1 69804274 375316707 /nfs/dbraw/zinc/31/67/07/375316707.db2.gz LLFGCIHKLLYRBA-SNVBAGLBSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+]C1CCNCC1)C1CCCC1 69804273 375316761 /nfs/dbraw/zinc/31/67/61/375316761.db2.gz LLFGCIHKLLYRBA-JTQLQIEISA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]1CCCCCN1CC(C)(C)[NH3+] 69945343 375318519 /nfs/dbraw/zinc/31/85/19/375318519.db2.gz VWUWYGBTECZRTI-SNVBAGLBSA-N 1 3 184.327 1.988 20 0 ADADHO N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 70585199 375334398 /nfs/dbraw/zinc/33/43/98/375334398.db2.gz YZUNRCUBDBGULB-GFCCVEGCSA-N 1 3 196.338 1.990 20 0 ADADHO N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 70585199 375334400 /nfs/dbraw/zinc/33/44/00/375334400.db2.gz YZUNRCUBDBGULB-GFCCVEGCSA-N 1 3 196.338 1.990 20 0 ADADHO N[C@H]1CCC[N@H+](CCC2CCCC2)C1 70585198 375335042 /nfs/dbraw/zinc/33/50/42/375335042.db2.gz YZUNRCUBDBGULB-LBPRGKRZSA-N 1 3 196.338 1.990 20 0 ADADHO N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 70585198 375335051 /nfs/dbraw/zinc/33/50/51/375335051.db2.gz YZUNRCUBDBGULB-LBPRGKRZSA-N 1 3 196.338 1.990 20 0 ADADHO C[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 70828797 375338142 /nfs/dbraw/zinc/33/81/42/375338142.db2.gz VDENSFVRNIAXMQ-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CCC[C@H]1[NH2+]C1CCNCC1 70828805 375338155 /nfs/dbraw/zinc/33/81/55/375338155.db2.gz VDENSFVRNIAXMQ-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1CCC[C@H]1[NH2+]C1CCNCC1 70828808 375338618 /nfs/dbraw/zinc/33/86/18/375338618.db2.gz VDENSFVRNIAXMQ-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2CCC2)C1 83837733 375382391 /nfs/dbraw/zinc/38/23/91/375382391.db2.gz SCUSLIFAJYFEJM-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H](N)[C@H]1CCC[N@H+](CC2CCC2)C1 83837737 375382459 /nfs/dbraw/zinc/38/24/59/375382459.db2.gz SCUSLIFAJYFEJM-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2CCC2)C1 83837740 375382571 /nfs/dbraw/zinc/38/25/71/375382571.db2.gz SCUSLIFAJYFEJM-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO CC(C)N1CCC[C@H]([C@@H](C)[NH3+])C1 82645465 375368219 /nfs/dbraw/zinc/36/82/19/375368219.db2.gz JNZNQMQUHWOEOO-ZJUUUORDSA-N 1 3 170.300 1.454 20 0 ADADHO C[C@H]1CCC[N@H+](CCCN)CC1 82488887 375362986 /nfs/dbraw/zinc/36/29/86/375362986.db2.gz NHXMYTTZHCDNPQ-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO C[C@H]1CCC[N@@H+](CCCN)CC1 82488887 375362993 /nfs/dbraw/zinc/36/29/93/375362993.db2.gz NHXMYTTZHCDNPQ-JTQLQIEISA-N 1 3 170.300 1.457 20 0 ADADHO C[C@@H]1CCC[N@H+](CCCN)CC1 82488884 375363369 /nfs/dbraw/zinc/36/33/69/375363369.db2.gz NHXMYTTZHCDNPQ-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO C[C@@H]1CCC[N@@H+](CCCN)CC1 82488884 375363376 /nfs/dbraw/zinc/36/33/76/375363376.db2.gz NHXMYTTZHCDNPQ-SNVBAGLBSA-N 1 3 170.300 1.457 20 0 ADADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2CC2)C1 82645493 375367766 /nfs/dbraw/zinc/36/77/66/375367766.db2.gz NCRJULIKYVDJTI-MWLCHTKSSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2CC2)C1 82645493 375367775 /nfs/dbraw/zinc/36/77/75/375367775.db2.gz NCRJULIKYVDJTI-MWLCHTKSSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](N)[C@H]1CCC[N@H+](CC2CC2)C1 82645495 375367835 /nfs/dbraw/zinc/36/78/35/375367835.db2.gz NCRJULIKYVDJTI-ONGXEEELSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2CC2)C1 82645495 375367845 /nfs/dbraw/zinc/36/78/45/375367845.db2.gz NCRJULIKYVDJTI-ONGXEEELSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2CC2)C1 82645497 375368011 /nfs/dbraw/zinc/36/80/11/375368011.db2.gz NCRJULIKYVDJTI-KOLCDFICSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2CC2)C1 82645497 375368019 /nfs/dbraw/zinc/36/80/19/375368019.db2.gz NCRJULIKYVDJTI-KOLCDFICSA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)C[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 82645415 375368083 /nfs/dbraw/zinc/36/80/83/375368083.db2.gz OCGKQTREPYTBGE-GHMZBOCLSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)C[N@H+]1CCC[C@@H]([C@@H](C)N)C1 82645415 375368090 /nfs/dbraw/zinc/36/80/90/375368090.db2.gz OCGKQTREPYTBGE-GHMZBOCLSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)[N@@H+]1CCC[C@H]([C@@H](C)N)C1 82645465 375368203 /nfs/dbraw/zinc/36/82/03/375368203.db2.gz JNZNQMQUHWOEOO-ZJUUUORDSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)[N@H+]1CCC[C@H]([C@@H](C)N)C1 82645465 375368212 /nfs/dbraw/zinc/36/82/12/375368212.db2.gz JNZNQMQUHWOEOO-ZJUUUORDSA-N 1 3 170.300 1.454 20 0 ADADHO [NH3+]CCCN1CCC[C@@H]2CCC[C@H]21 83699993 375380113 /nfs/dbraw/zinc/38/01/13/375380113.db2.gz ZTWSYKDOICDLNN-WDEREUQCSA-N 1 3 182.311 1.600 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2CC2)C1 82645491 375368762 /nfs/dbraw/zinc/36/87/62/375368762.db2.gz NCRJULIKYVDJTI-GXSJLCMTSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2CC2)C1 82645491 375368769 /nfs/dbraw/zinc/36/87/69/375368769.db2.gz NCRJULIKYVDJTI-GXSJLCMTSA-N 1 3 182.311 1.456 20 0 ADADHO CC(C)C[N@@H+]1CCC[C@H]([C@@H](C)N)C1 82645414 375368996 /nfs/dbraw/zinc/36/89/96/375368996.db2.gz OCGKQTREPYTBGE-MNOVXSKESA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 82645466 375368978 /nfs/dbraw/zinc/36/89/78/375368978.db2.gz JNZNQMQUHWOEOO-NXEZZACHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)[N@H+]1CCC[C@@H]([C@@H](C)N)C1 82645466 375368981 /nfs/dbraw/zinc/36/89/81/375368981.db2.gz JNZNQMQUHWOEOO-NXEZZACHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)N1CCC[C@@H]([C@@H](C)[NH3+])C1 82645466 375368985 /nfs/dbraw/zinc/36/89/85/375368985.db2.gz JNZNQMQUHWOEOO-NXEZZACHSA-N 1 3 170.300 1.454 20 0 ADADHO CC(C)C[N@H+]1CCC[C@H]([C@@H](C)N)C1 82645414 375368998 /nfs/dbraw/zinc/36/89/98/375368998.db2.gz OCGKQTREPYTBGE-MNOVXSKESA-N 1 3 184.327 1.702 20 0 ADADHO [NH3+]CCCN1CCC[C@H]2CCC[C@H]21 83699988 375380246 /nfs/dbraw/zinc/38/02/46/375380246.db2.gz ZTWSYKDOICDLNN-GHMZBOCLSA-N 1 3 182.311 1.600 20 0 ADADHO CC1(C)CCC[N@H+](CCCN)CC1 83680160 375378134 /nfs/dbraw/zinc/37/81/34/375378134.db2.gz DPNDLJUOYHEJTL-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO CC1(C)CCC[N@@H+](CCCN)CC1 83680160 375378137 /nfs/dbraw/zinc/37/81/37/375378137.db2.gz DPNDLJUOYHEJTL-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2CCC2)C1 83837733 375382385 /nfs/dbraw/zinc/38/23/85/375382385.db2.gz SCUSLIFAJYFEJM-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2CCC2)C1 83837737 375382466 /nfs/dbraw/zinc/38/24/66/375382466.db2.gz SCUSLIFAJYFEJM-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2CCC2)C1 83837740 375382564 /nfs/dbraw/zinc/38/25/64/375382564.db2.gz SCUSLIFAJYFEJM-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO NC[C@H]1CCC[N@H+](CC2CCC2)C1 83838163 375382680 /nfs/dbraw/zinc/38/26/80/375382680.db2.gz ZPZWVWGJDYZXGQ-LLVKDONJSA-N 1 3 182.311 1.457 20 0 ADADHO NC[C@H]1CCC[N@@H+](CC2CCC2)C1 83838163 375382687 /nfs/dbraw/zinc/38/26/87/375382687.db2.gz ZPZWVWGJDYZXGQ-LLVKDONJSA-N 1 3 182.311 1.457 20 0 ADADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2CCC2)C1 83837735 375382949 /nfs/dbraw/zinc/38/29/49/375382949.db2.gz SCUSLIFAJYFEJM-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2CCC2)C1 83837735 375382957 /nfs/dbraw/zinc/38/29/57/375382957.db2.gz SCUSLIFAJYFEJM-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO NC[C@@H]1CCC[N@H+](CC2CCC2)C1 83838165 375383194 /nfs/dbraw/zinc/38/31/94/375383194.db2.gz ZPZWVWGJDYZXGQ-NSHDSACASA-N 1 3 182.311 1.457 20 0 ADADHO NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 83838165 375383202 /nfs/dbraw/zinc/38/32/02/375383202.db2.gz ZPZWVWGJDYZXGQ-NSHDSACASA-N 1 3 182.311 1.457 20 0 ADADHO CC(C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 217689165 375418855 /nfs/dbraw/zinc/41/88/55/375418855.db2.gz LKCSAZGEXCJBMU-MNOVXSKESA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 217689165 375418861 /nfs/dbraw/zinc/41/88/61/375418861.db2.gz LKCSAZGEXCJBMU-MNOVXSKESA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 217689250 375418995 /nfs/dbraw/zinc/41/89/95/375418995.db2.gz LKCSAZGEXCJBMU-QWRGUYRKSA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 217689250 375419003 /nfs/dbraw/zinc/41/90/03/375419003.db2.gz LKCSAZGEXCJBMU-QWRGUYRKSA-N 1 3 182.311 1.611 20 0 ADADHO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 222917395 375421931 /nfs/dbraw/zinc/42/19/31/375421931.db2.gz RCVOHQADXWJDHW-AXFHLTTASA-N 1 3 184.327 1.890 20 0 ADADHO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 222917267 375422036 /nfs/dbraw/zinc/42/20/36/375422036.db2.gz RCVOHQADXWJDHW-HBNTYKKESA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CCC1 400356529 375504791 /nfs/dbraw/zinc/50/47/91/375504791.db2.gz BKFWWYCNMGXVKE-JBLDHEPKSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H](C1CCC1)C1CC1 324720001 375478213 /nfs/dbraw/zinc/47/82/13/375478213.db2.gz YATBWKVAJLANIY-JOYOIKCWSA-N 1 3 196.338 1.750 20 0 ADADHO CCC[C@H]([NH2+][C@H]1CCNC1)C1CCC1 324780678 375478278 /nfs/dbraw/zinc/47/82/78/375478278.db2.gz GOJWNCJIQVLPOZ-RYUDHWBXSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H](NC[C@H]1CCC[NH2+]1)C1CCC1 324793524 375478293 /nfs/dbraw/zinc/47/82/93/375478293.db2.gz KTIPLTTXMGOVES-VXGBXAGGSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]([NH2+]C[C@H]1CCCN1)C1CCC1 324793524 375478297 /nfs/dbraw/zinc/47/82/97/375478297.db2.gz KTIPLTTXMGOVES-VXGBXAGGSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]([NH2+]C[C@H](C)CN)C1CCC1 324707012 375478317 /nfs/dbraw/zinc/47/83/17/375478317.db2.gz ZQXDFFHBPUUOTJ-KOLCDFICSA-N 1 3 184.327 1.750 20 0 ADADHO CC[C@H](NC[C@@H]1CCC[NH2+]1)C1CCC1 324793522 375478328 /nfs/dbraw/zinc/47/83/28/375478328.db2.gz KTIPLTTXMGOVES-RYUDHWBXSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]([NH2+]C[C@@H]1CCCN1)C1CCC1 324793522 375478332 /nfs/dbraw/zinc/47/83/32/375478332.db2.gz KTIPLTTXMGOVES-RYUDHWBXSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H](NC[C@@H]1CCC[NH2+]1)C1CCC1 324793520 375478379 /nfs/dbraw/zinc/47/83/79/375478379.db2.gz KTIPLTTXMGOVES-NWDGAFQWSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]([NH2+]C[C@@H]1CCCN1)C1CCC1 324793520 375478383 /nfs/dbraw/zinc/47/83/83/375478383.db2.gz KTIPLTTXMGOVES-NWDGAFQWSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]([NH2+][C@H]1CCNC1)C1CCC1 324672896 375478419 /nfs/dbraw/zinc/47/84/19/375478419.db2.gz OMGGAEIXSUMFAS-WDEREUQCSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@H](C)[C@@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 318974784 375478470 /nfs/dbraw/zinc/47/84/70/375478470.db2.gz HLWQUJOHSDZLPY-OGBGREFGSA-N 1 3 182.311 1.228 20 0 ADADHO CC[C@@H]([NH2+][C@@H]1CCNC1)C1CCC1 324672893 375478511 /nfs/dbraw/zinc/47/85/11/375478511.db2.gz OMGGAEIXSUMFAS-GHMZBOCLSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]([NH2+]C[C@H](C)CN)C1CCC1 324707013 375478575 /nfs/dbraw/zinc/47/85/75/375478575.db2.gz ZQXDFFHBPUUOTJ-MWLCHTKSSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@H](CN)C[NH2+][C@H](C1CCC1)C1CC1 324719998 375478588 /nfs/dbraw/zinc/47/85/88/375478588.db2.gz YATBWKVAJLANIY-BXKDBHETSA-N 1 3 196.338 1.750 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H](C1CCC1)C1CC1 324719999 375478600 /nfs/dbraw/zinc/47/86/00/375478600.db2.gz YATBWKVAJLANIY-CABZTGNLSA-N 1 3 196.338 1.750 20 0 ADADHO CCC[C@@H]([NH2+][C@H]1CCNC1)C1CCC1 324780677 375478626 /nfs/dbraw/zinc/47/86/26/375478626.db2.gz GOJWNCJIQVLPOZ-NWDGAFQWSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]([NH2+]C1CCNCC1)C1CCC1 324848046 375478652 /nfs/dbraw/zinc/47/86/52/375478652.db2.gz YAXGSMSBZZFOHB-LBPRGKRZSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]([NH2+]C[C@@H](C)CN)C1CCC1 324707011 375478730 /nfs/dbraw/zinc/47/87/30/375478730.db2.gz ZQXDFFHBPUUOTJ-GXSJLCMTSA-N 1 3 184.327 1.750 20 0 ADADHO CC[C@H]([NH2+]C[C@@H](C)CN)C1CCC1 324707014 375478741 /nfs/dbraw/zinc/47/87/41/375478741.db2.gz ZQXDFFHBPUUOTJ-ONGXEEELSA-N 1 3 184.327 1.750 20 0 ADADHO CCC[C@@H]([NH2+][C@@H]1CCNC1)C1CCC1 324780679 375478766 /nfs/dbraw/zinc/47/87/66/375478766.db2.gz GOJWNCJIQVLPOZ-VXGBXAGGSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]([NH2+][C@H]1CCNC1)C1CCC1 324672895 375478834 /nfs/dbraw/zinc/47/88/34/375478834.db2.gz OMGGAEIXSUMFAS-QWRGUYRKSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@H](C)[C@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 318974780 375478854 /nfs/dbraw/zinc/47/88/54/375478854.db2.gz HLWQUJOHSDZLPY-LADJIXMOSA-N 1 3 182.311 1.228 20 0 ADADHO CC[C@H](NC[C@H]1CCC[NH2+]1)C1CCC1 324793518 375478890 /nfs/dbraw/zinc/47/88/90/375478890.db2.gz KTIPLTTXMGOVES-NEPJUHHUSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]([NH2+]C[C@H]1CCCN1)C1CCC1 324793518 375478897 /nfs/dbraw/zinc/47/88/97/375478897.db2.gz KTIPLTTXMGOVES-NEPJUHHUSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]([NH2+]C1CCNCC1)C1CCC1 324848044 375479060 /nfs/dbraw/zinc/47/90/60/375479060.db2.gz YAXGSMSBZZFOHB-GFCCVEGCSA-N 1 3 196.338 1.907 20 0 ADADHO CCC[C@H]([NH2+][C@@H]1CCNC1)C1CCC1 324780676 375479106 /nfs/dbraw/zinc/47/91/06/375479106.db2.gz GOJWNCJIQVLPOZ-NEPJUHHUSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]([NH2+][C@@H]1CCNC1)C1CCC1 324672894 375479166 /nfs/dbraw/zinc/47/91/66/375479166.db2.gz OMGGAEIXSUMFAS-MNOVXSKESA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H](C1CCC1)C1CC1 324720002 375479194 /nfs/dbraw/zinc/47/91/94/375479194.db2.gz YATBWKVAJLANIY-SKDRFNHKSA-N 1 3 196.338 1.750 20 0 ADADHO C1CC([C@H]([NH2+][C@@H]2CCNC2)C2CC2)C1 324988105 375479637 /nfs/dbraw/zinc/47/96/37/375479637.db2.gz VNLPPKQZCNQZEK-NEPJUHHUSA-N 1 3 194.322 1.517 20 0 ADADHO C1CC([C@H]([NH2+][C@H]2CCNC2)C2CC2)C1 324988107 375479903 /nfs/dbraw/zinc/47/99/03/375479903.db2.gz VNLPPKQZCNQZEK-RYUDHWBXSA-N 1 3 194.322 1.517 20 0 ADADHO C1CC([C@@H]([NH2+][C@@H]2CCNC2)C2CC2)C1 324988108 375480448 /nfs/dbraw/zinc/48/04/48/375480448.db2.gz VNLPPKQZCNQZEK-VXGBXAGGSA-N 1 3 194.322 1.517 20 0 ADADHO C1CC([C@@H]([NH2+][C@H]2CCNC2)C2CC2)C1 324988106 375480538 /nfs/dbraw/zinc/48/05/38/375480538.db2.gz VNLPPKQZCNQZEK-NWDGAFQWSA-N 1 3 194.322 1.517 20 0 ADADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CCC1 400356531 375504632 /nfs/dbraw/zinc/50/46/32/375504632.db2.gz BKFWWYCNMGXVKE-NHCYSSNCSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+][C@H](C)[C@@H]1CCCN1)C1CCC1 400356532 375504708 /nfs/dbraw/zinc/50/47/08/375504708.db2.gz BKFWWYCNMGXVKE-UMNHJUIQSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H]([NH2+][C@H](C)[C@H]1CCCN1)C1CCC1 400356528 375505419 /nfs/dbraw/zinc/50/54/19/375505419.db2.gz BKFWWYCNMGXVKE-HOSYDEDBSA-N 1 3 196.338 1.905 20 0 ADADHO CCC(CC)N[C@H](C)[C@H]1CCC[NH2+]1 400473248 375507502 /nfs/dbraw/zinc/50/75/02/375507502.db2.gz YQULPDJXHSHUPA-MWLCHTKSSA-N 1 3 184.327 1.905 20 0 ADADHO CCC(CC)[NH2+][C@H](C)[C@H]1CCCN1 400473248 375507505 /nfs/dbraw/zinc/50/75/05/375507505.db2.gz YQULPDJXHSHUPA-MWLCHTKSSA-N 1 3 184.327 1.905 20 0 ADADHO CCC(CC)N[C@@H](C)[C@H]1CCC[NH2+]1 400473246 375507559 /nfs/dbraw/zinc/50/75/59/375507559.db2.gz YQULPDJXHSHUPA-GXSJLCMTSA-N 1 3 184.327 1.905 20 0 ADADHO CCC(CC)[NH2+][C@@H](C)[C@H]1CCCN1 400473246 375507562 /nfs/dbraw/zinc/50/75/62/375507562.db2.gz YQULPDJXHSHUPA-GXSJLCMTSA-N 1 3 184.327 1.905 20 0 ADADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCCN1)C1CC1 400509897 375507600 /nfs/dbraw/zinc/50/76/00/375507600.db2.gz LEKYLROCAMKHPW-FOGDFJRCSA-N 1 3 196.338 1.763 20 0 ADADHO CCC(CC)N[C@@H](C)[C@@H]1CCC[NH2+]1 400473249 375507742 /nfs/dbraw/zinc/50/77/42/375507742.db2.gz YQULPDJXHSHUPA-ONGXEEELSA-N 1 3 184.327 1.905 20 0 ADADHO CCC(CC)[NH2+][C@@H](C)[C@@H]1CCCN1 400473249 375507748 /nfs/dbraw/zinc/50/77/48/375507748.db2.gz YQULPDJXHSHUPA-ONGXEEELSA-N 1 3 184.327 1.905 20 0 ADADHO CCC(CC)N[C@H](C)[C@@H]1CCC[NH2+]1 400473247 375507909 /nfs/dbraw/zinc/50/79/09/375507909.db2.gz YQULPDJXHSHUPA-KOLCDFICSA-N 1 3 184.327 1.905 20 0 ADADHO CCC(CC)[NH2+][C@H](C)[C@@H]1CCCN1 400473247 375507910 /nfs/dbraw/zinc/50/79/10/375507910.db2.gz YQULPDJXHSHUPA-KOLCDFICSA-N 1 3 184.327 1.905 20 0 ADADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN1)C1CC1 400509904 375507936 /nfs/dbraw/zinc/50/79/36/375507936.db2.gz LEKYLROCAMKHPW-SCVCMEIPSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCCN1)C1CC1 400509893 375508159 /nfs/dbraw/zinc/50/81/59/375508159.db2.gz LEKYLROCAMKHPW-CKYFFXLPSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN1)C1CC1 400509901 375508223 /nfs/dbraw/zinc/50/82/23/375508223.db2.gz LEKYLROCAMKHPW-JFGNBEQYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN1 400534063 375509275 /nfs/dbraw/zinc/50/92/75/375509275.db2.gz SOUFAXPOFMLWLA-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN1 400534060 375509344 /nfs/dbraw/zinc/50/93/44/375509344.db2.gz SOUFAXPOFMLWLA-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN1 400534061 375509627 /nfs/dbraw/zinc/50/96/27/375509627.db2.gz SOUFAXPOFMLWLA-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN1 400534064 375509883 /nfs/dbraw/zinc/50/98/83/375509883.db2.gz SOUFAXPOFMLWLA-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCCF 405422987 375536521 /nfs/dbraw/zinc/53/65/21/375536521.db2.gz YKONGQIWXVITAE-HTQZYQBOSA-N 1 3 174.263 1.061 20 0 ADADHO CC1(C)[C@@H](NCCCF)C[C@H]1[NH3+] 405423004 375536677 /nfs/dbraw/zinc/53/66/77/375536677.db2.gz YKONGQIWXVITAE-SFYZADRCSA-N 1 3 174.263 1.061 20 0 ADADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCCF 405423013 375536792 /nfs/dbraw/zinc/53/67/92/375536792.db2.gz YKONGQIWXVITAE-YUMQZZPRSA-N 1 3 174.263 1.061 20 0 ADADHO CC1(C)[C@@H]([NH3+])C[C@H]1NCCCF 405422995 375536929 /nfs/dbraw/zinc/53/69/29/375536929.db2.gz YKONGQIWXVITAE-JGVFFNPUSA-N 1 3 174.263 1.061 20 0 ADADHO C[C@@H](CN(C)C)[C@H]1CCCC[NH2+]1 521398917 375539008 /nfs/dbraw/zinc/53/90/08/375539008.db2.gz DHRZJGBMEWLHHB-VHSXEESVSA-N 1 3 170.300 1.326 20 0 ADADHO C[C@H](CN(C)C)[C@H]1CCCC[NH2+]1 521398915 375539168 /nfs/dbraw/zinc/53/91/68/375539168.db2.gz DHRZJGBMEWLHHB-NXEZZACHSA-N 1 3 170.300 1.326 20 0 ADADHO C[C@@H](CN(C)C)[C@@H]1CCCC[NH2+]1 521398916 375539481 /nfs/dbraw/zinc/53/94/81/375539481.db2.gz DHRZJGBMEWLHHB-UWVGGRQHSA-N 1 3 170.300 1.326 20 0 ADADHO CCC[NH2+]C[C@H](C)[C@H]1CCCCN1 521399954 375541428 /nfs/dbraw/zinc/54/14/28/375541428.db2.gz FJSVXCYBZPXHOO-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)[NH2+]C[C@H](C)[C@@H]1CCCCN1 521400011 375541436 /nfs/dbraw/zinc/54/14/36/375541436.db2.gz OPCAOFKNLIZNOM-QWRGUYRKSA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+]C[C@H](C)[C@H]1CCCCN1 521399984 375541487 /nfs/dbraw/zinc/54/14/87/375541487.db2.gz LDURJYMBEVSMLT-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO CCNC[C@H](C)[C@H]1CCCC[NH2+]1 521399984 375541489 /nfs/dbraw/zinc/54/14/89/375541489.db2.gz LDURJYMBEVSMLT-VHSXEESVSA-N 1 3 170.300 1.374 20 0 ADADHO CC(C)[NH2+]C[C@@H](C)[C@@H]1CCCCN1 521400010 375541510 /nfs/dbraw/zinc/54/15/10/375541510.db2.gz OPCAOFKNLIZNOM-MNOVXSKESA-N 1 3 184.327 1.763 20 0 ADADHO CC[NH2+]C[C@@H](C)[C@@H]1CCCCN1 521399985 375541565 /nfs/dbraw/zinc/54/15/65/375541565.db2.gz LDURJYMBEVSMLT-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO CCNC[C@@H](C)[C@@H]1CCCC[NH2+]1 521399985 375541568 /nfs/dbraw/zinc/54/15/68/375541568.db2.gz LDURJYMBEVSMLT-ZJUUUORDSA-N 1 3 170.300 1.374 20 0 ADADHO CCC[NH2+]C[C@@H](C)[C@H]1CCCCN1 521399951 375541589 /nfs/dbraw/zinc/54/15/89/375541589.db2.gz FJSVXCYBZPXHOO-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]C[C@@H](C)[C@H]1CCCCN1 521399982 375541602 /nfs/dbraw/zinc/54/16/02/375541602.db2.gz LDURJYMBEVSMLT-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO CCNC[C@@H](C)[C@H]1CCCC[NH2+]1 521399982 375541608 /nfs/dbraw/zinc/54/16/08/375541608.db2.gz LDURJYMBEVSMLT-NXEZZACHSA-N 1 3 170.300 1.374 20 0 ADADHO CC(C)[NH2+]C[C@@H](C)[C@H]1CCCCN1 521400009 375541717 /nfs/dbraw/zinc/54/17/17/375541717.db2.gz OPCAOFKNLIZNOM-GHMZBOCLSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)[NH2+]C[C@H](C)[C@H]1CCCCN1 521400012 375541791 /nfs/dbraw/zinc/54/17/91/375541791.db2.gz OPCAOFKNLIZNOM-WDEREUQCSA-N 1 3 184.327 1.763 20 0 ADADHO CCC[NH2+]C[C@@H](C)[C@@H]1CCCCN1 521399952 375541984 /nfs/dbraw/zinc/54/19/84/375541984.db2.gz FJSVXCYBZPXHOO-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]C[C@H](C)[C@@H]1CCCCN1 521399983 375542103 /nfs/dbraw/zinc/54/21/03/375542103.db2.gz LDURJYMBEVSMLT-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO CCNC[C@H](C)[C@@H]1CCCC[NH2+]1 521399983 375542104 /nfs/dbraw/zinc/54/21/04/375542104.db2.gz LDURJYMBEVSMLT-UWVGGRQHSA-N 1 3 170.300 1.374 20 0 ADADHO CC(C)([NH3+])CN1CC[C@@H](C2CCC2)C1 647552132 375662234 /nfs/dbraw/zinc/66/22/34/375662234.db2.gz HCXYENKQOHEQAU-LLVKDONJSA-N 1 3 196.338 1.846 20 0 ADADHO CC(C)([NH3+])CN1CC[C@H](C2CCC2)C1 647552133 375662987 /nfs/dbraw/zinc/66/29/87/375662987.db2.gz HCXYENKQOHEQAU-NSHDSACASA-N 1 3 196.338 1.846 20 0 ADADHO CNCCC[N@@H+]1CCCC[C@@H](C)C1 647990909 375683303 /nfs/dbraw/zinc/68/33/03/375683303.db2.gz UIBGNYFBMDFGNR-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[N@H+]1CCCC[C@@H](C)C1 647990909 375683308 /nfs/dbraw/zinc/68/33/08/375683308.db2.gz UIBGNYFBMDFGNR-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[N@@H+]1CCCC[C@H](C)C1 647990910 375684316 /nfs/dbraw/zinc/68/43/16/375684316.db2.gz UIBGNYFBMDFGNR-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[N@H+]1CCCC[C@H](C)C1 647990910 375684319 /nfs/dbraw/zinc/68/43/19/375684319.db2.gz UIBGNYFBMDFGNR-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO C[C@H](C1CC1)[N@H+](C)C[C@@H]1CCCNC1 36785619 409319050 /nfs/dbraw/zinc/31/90/50/409319050.db2.gz REDAFIKCWZJBGC-GHMZBOCLSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H](C1CC1)[N@@H+](C)C[C@@H]1CCCNC1 36785619 409319052 /nfs/dbraw/zinc/31/90/52/409319052.db2.gz REDAFIKCWZJBGC-GHMZBOCLSA-N 1 3 196.338 1.716 20 0 ADADHO CC(C)CCN(C)C1CC[NH2+]CC1 36300883 409319139 /nfs/dbraw/zinc/31/91/39/409319139.db2.gz KDCHJBVDXQEZHZ-UHFFFAOYSA-N 1 3 184.327 1.716 20 0 ADADHO CC(C)[C@H](C)[N@H+](C)C[C@@H]1CCCNC1 36787564 409319213 /nfs/dbraw/zinc/31/92/13/409319213.db2.gz UWHBXBAYBHMBQZ-NWDGAFQWSA-N 1 3 198.354 1.962 20 0 ADADHO CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCCNC1 36787564 409319215 /nfs/dbraw/zinc/31/92/15/409319215.db2.gz UWHBXBAYBHMBQZ-NWDGAFQWSA-N 1 3 198.354 1.962 20 0 ADADHO CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CCCNC1 36787563 409319847 /nfs/dbraw/zinc/31/98/47/409319847.db2.gz UWHBXBAYBHMBQZ-VXGBXAGGSA-N 1 3 198.354 1.962 20 0 ADADHO CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CCCNC1 36787563 409319850 /nfs/dbraw/zinc/31/98/50/409319850.db2.gz UWHBXBAYBHMBQZ-VXGBXAGGSA-N 1 3 198.354 1.962 20 0 ADADHO CCC[N@H+](C[C@@H]1CCCNC1)C1CC1 37097482 409320979 /nfs/dbraw/zinc/32/09/79/409320979.db2.gz KFROIPUZMVMJFV-LLVKDONJSA-N 1 3 196.338 1.860 20 0 ADADHO CCC[N@@H+](C[C@@H]1CCCNC1)C1CC1 37097482 409320983 /nfs/dbraw/zinc/32/09/83/409320983.db2.gz KFROIPUZMVMJFV-LLVKDONJSA-N 1 3 196.338 1.860 20 0 ADADHO CCCN(C[C@@H]1CCC[NH2+]C1)C1CC1 37097482 409320986 /nfs/dbraw/zinc/32/09/86/409320986.db2.gz KFROIPUZMVMJFV-LLVKDONJSA-N 1 3 196.338 1.860 20 0 ADADHO CCC[N@H+](C[C@H]1CCCNC1)C1CC1 37097483 409321251 /nfs/dbraw/zinc/32/12/51/409321251.db2.gz KFROIPUZMVMJFV-NSHDSACASA-N 1 3 196.338 1.860 20 0 ADADHO CCC[N@@H+](C[C@H]1CCCNC1)C1CC1 37097483 409321253 /nfs/dbraw/zinc/32/12/53/409321253.db2.gz KFROIPUZMVMJFV-NSHDSACASA-N 1 3 196.338 1.860 20 0 ADADHO CCCN(C[C@H]1CCC[NH2+]C1)C1CC1 37097483 409321261 /nfs/dbraw/zinc/32/12/61/409321261.db2.gz KFROIPUZMVMJFV-NSHDSACASA-N 1 3 196.338 1.860 20 0 ADADHO CCC[N@H+](C)C[C@H]1CCCNC1 37098584 409321326 /nfs/dbraw/zinc/32/13/26/409321326.db2.gz IRISDXMWQZOWAG-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO CCC[N@@H+](C)C[C@H]1CCCNC1 37098584 409321332 /nfs/dbraw/zinc/32/13/32/409321332.db2.gz IRISDXMWQZOWAG-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO CCCN(C)C[C@H]1CCC[NH2+]C1 37098584 409321333 /nfs/dbraw/zinc/32/13/33/409321333.db2.gz IRISDXMWQZOWAG-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO CCC[N@H+](CC)C[C@@H]1CCCNC1 37095225 409321699 /nfs/dbraw/zinc/32/16/99/409321699.db2.gz KFCPWMHUJHHGHW-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CCC[N@@H+](CC)C[C@@H]1CCCNC1 37095225 409321707 /nfs/dbraw/zinc/32/17/07/409321707.db2.gz KFCPWMHUJHHGHW-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CCC[N@H+](CC)C[C@H]1CCCNC1 37095226 409322094 /nfs/dbraw/zinc/32/20/94/409322094.db2.gz KFCPWMHUJHHGHW-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CCC[N@@H+](CC)C[C@H]1CCCNC1 37095226 409322100 /nfs/dbraw/zinc/32/21/00/409322100.db2.gz KFCPWMHUJHHGHW-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CCC[N@H+](C)C[C@@H]1CCCNC1 37098583 409322363 /nfs/dbraw/zinc/32/23/63/409322363.db2.gz IRISDXMWQZOWAG-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO CCC[N@@H+](C)C[C@@H]1CCCNC1 37098583 409322368 /nfs/dbraw/zinc/32/23/68/409322368.db2.gz IRISDXMWQZOWAG-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO CCCN(C)C[C@@H]1CCC[NH2+]C1 37098583 409322373 /nfs/dbraw/zinc/32/23/73/409322373.db2.gz IRISDXMWQZOWAG-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO CC(C)C[N@H+](C)C[C@@H]1CCCNC1 37108767 409324154 /nfs/dbraw/zinc/32/41/54/409324154.db2.gz QZDCDEIKPXDWEO-LLVKDONJSA-N 1 3 184.327 1.574 20 0 ADADHO CC(C)C[N@@H+](C)C[C@@H]1CCCNC1 37108767 409324157 /nfs/dbraw/zinc/32/41/57/409324157.db2.gz QZDCDEIKPXDWEO-LLVKDONJSA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCNC1 37173552 409324435 /nfs/dbraw/zinc/32/44/35/409324435.db2.gz LGSKNOJYBMXWGY-VXGBXAGGSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCNC1 37173552 409324441 /nfs/dbraw/zinc/32/44/41/409324441.db2.gz LGSKNOJYBMXWGY-VXGBXAGGSA-N 1 3 198.354 1.964 20 0 ADADHO CC[N@H+](CC(C)C)C[C@H]1CCCNC1 37111793 409324623 /nfs/dbraw/zinc/32/46/23/409324623.db2.gz YVBMFURWKNVGJH-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CC[N@@H+](CC(C)C)C[C@H]1CCCNC1 37111793 409324630 /nfs/dbraw/zinc/32/46/30/409324630.db2.gz YVBMFURWKNVGJH-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@H](C)[NH2+]CCCNC1CC1 40408153 409344299 /nfs/dbraw/zinc/34/42/99/409344299.db2.gz OIXOUVJEGDIXTD-VIFPVBQESA-N 1 3 170.300 1.517 20 0 ADADHO CC(C)C[N@H+](C)C[C@H]1CCCNC1 37108768 409325806 /nfs/dbraw/zinc/32/58/06/409325806.db2.gz QZDCDEIKPXDWEO-NSHDSACASA-N 1 3 184.327 1.574 20 0 ADADHO CC(C)C[N@@H+](C)C[C@H]1CCCNC1 37108768 409325809 /nfs/dbraw/zinc/32/58/09/409325809.db2.gz QZDCDEIKPXDWEO-NSHDSACASA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCCNC1 37173553 409325825 /nfs/dbraw/zinc/32/58/25/409325825.db2.gz LGSKNOJYBMXWGY-NWDGAFQWSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCNC1 37173553 409325830 /nfs/dbraw/zinc/32/58/30/409325830.db2.gz LGSKNOJYBMXWGY-NWDGAFQWSA-N 1 3 198.354 1.964 20 0 ADADHO CCCCCN(C)C1CC[NH2+]CC1 37116615 409325988 /nfs/dbraw/zinc/32/59/88/409325988.db2.gz GHEMREJQQBQYLH-UHFFFAOYSA-N 1 3 184.327 1.860 20 0 ADADHO CC[N@H+](CC(C)C)C[C@@H]1CCCNC1 37111791 409326072 /nfs/dbraw/zinc/32/60/72/409326072.db2.gz YVBMFURWKNVGJH-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CC[N@@H+](CC(C)C)C[C@@H]1CCCNC1 37111791 409326078 /nfs/dbraw/zinc/32/60/78/409326078.db2.gz YVBMFURWKNVGJH-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@H](C)[N@H+](C)C[C@@H]1CCCNC1 37110451 409326549 /nfs/dbraw/zinc/32/65/49/409326549.db2.gz HVYCVWBFIAYVFK-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@H](C)[N@@H+](C)C[C@@H]1CCCNC1 37110451 409326556 /nfs/dbraw/zinc/32/65/56/409326556.db2.gz HVYCVWBFIAYVFK-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H](C)[N@H+](C)C[C@@H]1CCCNC1 37110450 409326747 /nfs/dbraw/zinc/32/67/47/409326747.db2.gz HVYCVWBFIAYVFK-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H](C)[N@@H+](C)C[C@@H]1CCCNC1 37110450 409326751 /nfs/dbraw/zinc/32/67/51/409326751.db2.gz HVYCVWBFIAYVFK-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO C[C@@H](CCc1ccco1)NCC[NH3+] 37712781 409333750 /nfs/dbraw/zinc/33/37/50/409333750.db2.gz YITREBYJZYKCMN-VIFPVBQESA-N 1 3 182.267 1.149 20 0 ADADHO C[C@H](CCc1ccco1)NCC[NH3+] 37712782 409334460 /nfs/dbraw/zinc/33/44/60/409334460.db2.gz YITREBYJZYKCMN-SECBINFHSA-N 1 3 182.267 1.149 20 0 ADADHO C[C@H]([NH2+]CCCN)C1CCCCC1 37713757 409334611 /nfs/dbraw/zinc/33/46/11/409334611.db2.gz ASPJVFBKAWYDME-JTQLQIEISA-N 1 3 184.327 1.894 20 0 ADADHO C[N@H+](CC1CC1)C[C@@H]1CCCNC1 37925721 409338717 /nfs/dbraw/zinc/33/87/17/409338717.db2.gz UIFHHUCFDZJSSK-LLVKDONJSA-N 1 3 182.311 1.328 20 0 ADADHO C[N@@H+](CC1CC1)C[C@@H]1CCCNC1 37925721 409338723 /nfs/dbraw/zinc/33/87/23/409338723.db2.gz UIFHHUCFDZJSSK-LLVKDONJSA-N 1 3 182.311 1.328 20 0 ADADHO CN(CC1CC1)C[C@@H]1CCC[NH2+]C1 37925721 409338726 /nfs/dbraw/zinc/33/87/26/409338726.db2.gz UIFHHUCFDZJSSK-LLVKDONJSA-N 1 3 182.311 1.328 20 0 ADADHO C[N@H+](CC1CC1)C[C@H]1CCCNC1 37925722 409338741 /nfs/dbraw/zinc/33/87/41/409338741.db2.gz UIFHHUCFDZJSSK-NSHDSACASA-N 1 3 182.311 1.328 20 0 ADADHO C[N@@H+](CC1CC1)C[C@H]1CCCNC1 37925722 409338745 /nfs/dbraw/zinc/33/87/45/409338745.db2.gz UIFHHUCFDZJSSK-NSHDSACASA-N 1 3 182.311 1.328 20 0 ADADHO CN(CC1CC1)C[C@H]1CCC[NH2+]C1 37925722 409338749 /nfs/dbraw/zinc/33/87/49/409338749.db2.gz UIFHHUCFDZJSSK-NSHDSACASA-N 1 3 182.311 1.328 20 0 ADADHO CC[C@H](C)[N@@H+]1CCC[C@H](CNC)C1 40592319 409342902 /nfs/dbraw/zinc/34/29/02/409342902.db2.gz UAWJBJOGZDHJMH-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@H](C)[N@H+]1CCC[C@H](CNC)C1 40592319 409342905 /nfs/dbraw/zinc/34/29/05/409342905.db2.gz UAWJBJOGZDHJMH-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@H](C)N1CCC[C@H](C[NH2+]C)C1 40592319 409342906 /nfs/dbraw/zinc/34/29/06/409342906.db2.gz UAWJBJOGZDHJMH-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC)C1 40593316 409343000 /nfs/dbraw/zinc/34/30/00/409343000.db2.gz YQVFAWPOPSSMST-VXGBXAGGSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@@H](C)C[N@H+]1CCC[C@H](CNC)C1 40593316 409343002 /nfs/dbraw/zinc/34/30/02/409343002.db2.gz YQVFAWPOPSSMST-VXGBXAGGSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@@H](C)CN1CCC[C@H](C[NH2+]C)C1 40593316 409343006 /nfs/dbraw/zinc/34/30/06/409343006.db2.gz YQVFAWPOPSSMST-VXGBXAGGSA-N 1 3 198.354 1.964 20 0 ADADHO CCCCN1CCC[C@H](C[NH2+]C)C1 40593131 409343034 /nfs/dbraw/zinc/34/30/34/409343034.db2.gz KBYDKWLFUHVOQL-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CCCC[N@@H+]1CCC[C@H](CNC)C1 40593131 409343038 /nfs/dbraw/zinc/34/30/38/409343038.db2.gz KBYDKWLFUHVOQL-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CCCC[N@H+]1CCC[C@H](CNC)C1 40593131 409343040 /nfs/dbraw/zinc/34/30/40/409343040.db2.gz KBYDKWLFUHVOQL-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@H](C)CN1CCC[C@H](C[NH2+]C)C1 40593319 409343145 /nfs/dbraw/zinc/34/31/45/409343145.db2.gz YQVFAWPOPSSMST-NWDGAFQWSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@H](C)C[N@@H+]1CCC[C@H](CNC)C1 40593319 409343139 /nfs/dbraw/zinc/34/31/39/409343139.db2.gz YQVFAWPOPSSMST-NWDGAFQWSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@H](C)C[N@H+]1CCC[C@H](CNC)C1 40593319 409343143 /nfs/dbraw/zinc/34/31/43/409343143.db2.gz YQVFAWPOPSSMST-NWDGAFQWSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@H](C)NC[C@@H]1CCCC[NH2+]1 40407822 409343577 /nfs/dbraw/zinc/34/35/77/409343577.db2.gz ZNKCNXLOSTVGLS-UWVGGRQHSA-N 1 3 170.300 1.517 20 0 ADADHO CC(C)NCCC[NH2+]C1CCCC1 40408989 409343596 /nfs/dbraw/zinc/34/35/96/409343596.db2.gz FZWHSHCCDZXLJG-UHFFFAOYSA-N 1 3 184.327 1.907 20 0 ADADHO CC[C@H](C)[NH2+]CCCNC(C)C 40408177 409343607 /nfs/dbraw/zinc/34/36/07/409343607.db2.gz SFPUYIKXNGJGEF-JTQLQIEISA-N 1 3 172.316 1.763 20 0 ADADHO CC[C@@H](C)NC[C@@H]1CCCC[NH2+]1 40407818 409343717 /nfs/dbraw/zinc/34/37/17/409343717.db2.gz ZNKCNXLOSTVGLS-ZJUUUORDSA-N 1 3 170.300 1.517 20 0 ADADHO CC[C@@H](C)[N@@H+]1CCC[C@H](CNC)C1 40592316 409343838 /nfs/dbraw/zinc/34/38/38/409343838.db2.gz UAWJBJOGZDHJMH-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H](C)[N@H+]1CCC[C@H](CNC)C1 40592316 409343841 /nfs/dbraw/zinc/34/38/41/409343841.db2.gz UAWJBJOGZDHJMH-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H](C)N1CCC[C@H](C[NH2+]C)C1 40592316 409343845 /nfs/dbraw/zinc/34/38/45/409343845.db2.gz UAWJBJOGZDHJMH-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H](C)[NH2+]CCCNC1CC1 40408149 409343998 /nfs/dbraw/zinc/34/39/98/409343998.db2.gz OIXOUVJEGDIXTD-SECBINFHSA-N 1 3 170.300 1.517 20 0 ADADHO CC[C@H](C)NC[C@H]1CCCC[NH2+]1 40407827 409344015 /nfs/dbraw/zinc/34/40/15/409344015.db2.gz ZNKCNXLOSTVGLS-VHSXEESVSA-N 1 3 170.300 1.517 20 0 ADADHO CCCCN1CCC[C@@H](C[NH2+]C)C1 40593134 409344386 /nfs/dbraw/zinc/34/43/86/409344386.db2.gz KBYDKWLFUHVOQL-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CCCC[N@@H+]1CCC[C@@H](CNC)C1 40593134 409344390 /nfs/dbraw/zinc/34/43/90/409344390.db2.gz KBYDKWLFUHVOQL-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CCCC[N@H+]1CCC[C@@H](CNC)C1 40593134 409344392 /nfs/dbraw/zinc/34/43/92/409344392.db2.gz KBYDKWLFUHVOQL-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@@H](C)[NH2+]CCCNC(C)C 40408173 409344424 /nfs/dbraw/zinc/34/44/24/409344424.db2.gz SFPUYIKXNGJGEF-SNVBAGLBSA-N 1 3 172.316 1.763 20 0 ADADHO CC[C@@H](C)NC[C@H]1CCCC[NH2+]1 40407825 409344528 /nfs/dbraw/zinc/34/45/28/409344528.db2.gz ZNKCNXLOSTVGLS-NXEZZACHSA-N 1 3 170.300 1.517 20 0 ADADHO CCCCC[N@@H+]1CCC[C@H](N)C1 40740117 409347475 /nfs/dbraw/zinc/34/74/75/409347475.db2.gz KJDNGBPARIYKFO-JTQLQIEISA-N 1 3 170.300 1.600 20 0 ADADHO CCCCC[N@H+]1CCC[C@H](N)C1 40740117 409347483 /nfs/dbraw/zinc/34/74/83/409347483.db2.gz KJDNGBPARIYKFO-JTQLQIEISA-N 1 3 170.300 1.600 20 0 ADADHO CCCCC[N@@H+]1CCC[C@@H](N)C1 40740119 409348077 /nfs/dbraw/zinc/34/80/77/409348077.db2.gz KJDNGBPARIYKFO-SNVBAGLBSA-N 1 3 170.300 1.600 20 0 ADADHO CCCCC[N@H+]1CCC[C@@H](N)C1 40740119 409348084 /nfs/dbraw/zinc/34/80/84/409348084.db2.gz KJDNGBPARIYKFO-SNVBAGLBSA-N 1 3 170.300 1.600 20 0 ADADHO CNCCC[N@H+](C)[C@@H](C)C(C)(C)C 42779645 409351638 /nfs/dbraw/zinc/35/16/38/409351638.db2.gz WDRUWMRKJNPPNS-JTQLQIEISA-N 1 3 186.343 1.962 20 0 ADADHO CNCCC[N@@H+](C)[C@@H](C)C(C)(C)C 42779645 409351650 /nfs/dbraw/zinc/35/16/50/409351650.db2.gz WDRUWMRKJNPPNS-JTQLQIEISA-N 1 3 186.343 1.962 20 0 ADADHO C[NH2+]CCCN(C)[C@@H](C)C(C)(C)C 42779645 409351658 /nfs/dbraw/zinc/35/16/58/409351658.db2.gz WDRUWMRKJNPPNS-JTQLQIEISA-N 1 3 186.343 1.962 20 0 ADADHO CNCCC[N@H+](C)[C@H](C)C(C)(C)C 42779647 409352159 /nfs/dbraw/zinc/35/21/59/409352159.db2.gz WDRUWMRKJNPPNS-SNVBAGLBSA-N 1 3 186.343 1.962 20 0 ADADHO CNCCC[N@@H+](C)[C@H](C)C(C)(C)C 42779647 409352162 /nfs/dbraw/zinc/35/21/62/409352162.db2.gz WDRUWMRKJNPPNS-SNVBAGLBSA-N 1 3 186.343 1.962 20 0 ADADHO C[NH2+]CCCN(C)[C@H](C)C(C)(C)C 42779647 409352167 /nfs/dbraw/zinc/35/21/67/409352167.db2.gz WDRUWMRKJNPPNS-SNVBAGLBSA-N 1 3 186.343 1.962 20 0 ADADHO C[C@H]1CCCC[C@H]1CN1CC[C@H]([NH3+])C1 42864239 409352320 /nfs/dbraw/zinc/35/23/20/409352320.db2.gz SHTDCVCNLFZKAP-SRVKXCTJSA-N 1 3 196.338 1.846 20 0 ADADHO CC(C)N(CC1CC1)CC(C)(C)[NH3+] 42593592 409352436 /nfs/dbraw/zinc/35/24/36/409352436.db2.gz RSEBHNSRFBNVOV-UHFFFAOYSA-N 1 3 184.327 1.844 20 0 ADADHO C[C@H]1CCCC[C@@H]1CN1CC[C@H]([NH3+])C1 42864233 409352764 /nfs/dbraw/zinc/35/27/64/409352764.db2.gz SHTDCVCNLFZKAP-TUAOUCFPSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H]([NH2+]C1CCNCC1)C(C)C 42586445 409353193 /nfs/dbraw/zinc/35/31/93/409353193.db2.gz GOXQMNQVFSXCTH-LLVKDONJSA-N 1 3 184.327 1.763 20 0 ADADHO CNCCC[N@H+](CC(C)C)C1CC1 42559263 409353381 /nfs/dbraw/zinc/35/33/81/409353381.db2.gz JCSDWWUCUWAGNP-UHFFFAOYSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@@H+](CC(C)C)C1CC1 42559263 409353385 /nfs/dbraw/zinc/35/33/85/409353385.db2.gz JCSDWWUCUWAGNP-UHFFFAOYSA-N 1 3 184.327 1.716 20 0 ADADHO C[NH2+]CCCN(CC(C)C)C1CC1 42559263 409353391 /nfs/dbraw/zinc/35/33/91/409353391.db2.gz JCSDWWUCUWAGNP-UHFFFAOYSA-N 1 3 184.327 1.716 20 0 ADADHO C[C@@H]1CCCC[C@H]1CN1CC[C@H]([NH3+])C1 42864236 409353793 /nfs/dbraw/zinc/35/37/93/409353793.db2.gz SHTDCVCNLFZKAP-WOPDTQHZSA-N 1 3 196.338 1.846 20 0 ADADHO CCCN(C1CC[NH2+]CC1)C1CC1 43501177 409354057 /nfs/dbraw/zinc/35/40/57/409354057.db2.gz LNIWWNTVBHBYNL-UHFFFAOYSA-N 1 3 182.311 1.613 20 0 ADADHO C[C@@H]1CCCC[C@@H]1CN1CC[C@H]([NH3+])C1 42864230 409354103 /nfs/dbraw/zinc/35/41/03/409354103.db2.gz SHTDCVCNLFZKAP-UTUOFQBUSA-N 1 3 196.338 1.846 20 0 ADADHO CNCCC[N@H+](CC1CC1)C(C)C 42590341 409354163 /nfs/dbraw/zinc/35/41/63/409354163.db2.gz SIZLTAWENZTKEZ-UHFFFAOYSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@@H+](CC1CC1)C(C)C 42590341 409354169 /nfs/dbraw/zinc/35/41/69/409354169.db2.gz SIZLTAWENZTKEZ-UHFFFAOYSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@H+](CC(C)C)C(C)C 42590314 409354500 /nfs/dbraw/zinc/35/45/00/409354500.db2.gz MCEXCKPMBZTDIC-UHFFFAOYSA-N 1 3 186.343 1.962 20 0 ADADHO CNCCC[N@@H+](CC(C)C)C(C)C 42590314 409354505 /nfs/dbraw/zinc/35/45/05/409354505.db2.gz MCEXCKPMBZTDIC-UHFFFAOYSA-N 1 3 186.343 1.962 20 0 ADADHO CCC[NH2+]CCNC(C1CC1)C1CC1 44651747 409355801 /nfs/dbraw/zinc/35/58/01/409355801.db2.gz GYBDMPSNLRYLOC-UHFFFAOYSA-N 1 3 196.338 1.764 20 0 ADADHO CNCCC[NH2+]C(C1CC1)C1CC1 43618958 409357374 /nfs/dbraw/zinc/35/73/74/409357374.db2.gz KYIPOUYZBNMBHT-UHFFFAOYSA-N 1 3 182.311 1.374 20 0 ADADHO CC(C)C[NH2+]CCCN(C)C(C)C 47888346 409365050 /nfs/dbraw/zinc/36/50/50/409365050.db2.gz JQUADCXOBBPEEK-UHFFFAOYSA-N 1 3 186.343 1.962 20 0 ADADHO C[NH+](C)CCCCNCc1ccco1 45598333 409366516 /nfs/dbraw/zinc/36/65/16/409366516.db2.gz AYTWMAKMVFZRKM-UHFFFAOYSA-N 1 3 196.294 1.711 20 0 ADADHO CC(C)C[NH2+]C[C@H](C)CN1CCCC1 48327018 409369874 /nfs/dbraw/zinc/36/98/74/409369874.db2.gz SXWWZIBZKSHRBX-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)C[NH2+]C[C@@H](C)CN1CCCC1 48327017 409370048 /nfs/dbraw/zinc/37/00/48/409370048.db2.gz SXWWZIBZKSHRBX-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO C[N@H+](CCCN)CCC(C)(C)C 49254306 409371801 /nfs/dbraw/zinc/37/18/01/409371801.db2.gz QFWCJJITZROPRX-UHFFFAOYSA-N 1 3 172.316 1.703 20 0 ADADHO C[N@@H+](CCCN)CCC(C)(C)C 49254306 409371804 /nfs/dbraw/zinc/37/18/04/409371804.db2.gz QFWCJJITZROPRX-UHFFFAOYSA-N 1 3 172.316 1.703 20 0 ADADHO CN(CCC[NH3+])CCC(C)(C)C 49254306 409371811 /nfs/dbraw/zinc/37/18/11/409371811.db2.gz QFWCJJITZROPRX-UHFFFAOYSA-N 1 3 172.316 1.703 20 0 ADADHO CCCN1CC[C@H](C[NH2+]CC(C)C)C1 49592625 409372559 /nfs/dbraw/zinc/37/25/59/409372559.db2.gz WXJPKQVLYZOAMS-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CCCN1CC[C@@H](C[NH2+]CC(C)C)C1 49592627 409372717 /nfs/dbraw/zinc/37/27/17/409372717.db2.gz WXJPKQVLYZOAMS-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CCCCCN1CC[C@H]([NH3+])[C@H](C)C1 49707816 409372742 /nfs/dbraw/zinc/37/27/42/409372742.db2.gz JGIMCMSKAMGJOV-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@@H+]1CC[C@H](N)[C@H](C)C1 49707816 409372746 /nfs/dbraw/zinc/37/27/46/409372746.db2.gz JGIMCMSKAMGJOV-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@H+]1CC[C@H](N)[C@H](C)C1 49707816 409372752 /nfs/dbraw/zinc/37/27/52/409372752.db2.gz JGIMCMSKAMGJOV-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO C[C@H](N)CC[NH2+]C(C1CC1)C1CC1 49237961 409373024 /nfs/dbraw/zinc/37/30/24/409373024.db2.gz KORMJSXCLOHHJV-QMMMGPOBSA-N 1 3 182.311 1.502 20 0 ADADHO CCCCCN1CC[C@@H]([NH3+])[C@H](C)C1 49707818 409373390 /nfs/dbraw/zinc/37/33/90/409373390.db2.gz JGIMCMSKAMGJOV-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@@H+]1CC[C@@H](N)[C@H](C)C1 49707818 409373393 /nfs/dbraw/zinc/37/33/93/409373393.db2.gz JGIMCMSKAMGJOV-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@H+]1CC[C@@H](N)[C@H](C)C1 49707818 409373396 /nfs/dbraw/zinc/37/33/96/409373396.db2.gz JGIMCMSKAMGJOV-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CC[C@@H](C)C[N@@H+]1CC[C@H](CN)C1 50245446 409378850 /nfs/dbraw/zinc/37/88/50/409378850.db2.gz ZMTJTDGBFDHKFA-NXEZZACHSA-N 1 3 170.300 1.313 20 0 ADADHO CC[C@@H](C)C[N@H+]1CC[C@H](CN)C1 50245446 409378854 /nfs/dbraw/zinc/37/88/54/409378854.db2.gz ZMTJTDGBFDHKFA-NXEZZACHSA-N 1 3 170.300 1.313 20 0 ADADHO CCC(CC)C[N@@H+]1CC[C@@H](CN)C1 50245298 409378947 /nfs/dbraw/zinc/37/89/47/409378947.db2.gz KYHBUMDUQRXZKV-NSHDSACASA-N 1 3 184.327 1.703 20 0 ADADHO CCC(CC)C[N@H+]1CC[C@@H](CN)C1 50245298 409378951 /nfs/dbraw/zinc/37/89/51/409378951.db2.gz KYHBUMDUQRXZKV-NSHDSACASA-N 1 3 184.327 1.703 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@H](CN)C1 50245447 409379843 /nfs/dbraw/zinc/37/98/43/409379843.db2.gz ZMTJTDGBFDHKFA-VHSXEESVSA-N 1 3 170.300 1.313 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@H](CN)C1 50245447 409379849 /nfs/dbraw/zinc/37/98/49/409379849.db2.gz ZMTJTDGBFDHKFA-VHSXEESVSA-N 1 3 170.300 1.313 20 0 ADADHO CCCC[C@@H](C)NCC[NH2+]C1CC1 50890058 409380406 /nfs/dbraw/zinc/38/04/06/409380406.db2.gz HWXAUTQUHGTMNB-SNVBAGLBSA-N 1 3 184.327 1.907 20 0 ADADHO CCC(CC)C[N@@H+]1CC[C@H](CN)C1 50245297 409380420 /nfs/dbraw/zinc/38/04/20/409380420.db2.gz KYHBUMDUQRXZKV-LLVKDONJSA-N 1 3 184.327 1.703 20 0 ADADHO CCC(CC)C[N@H+]1CC[C@H](CN)C1 50245297 409380423 /nfs/dbraw/zinc/38/04/23/409380423.db2.gz KYHBUMDUQRXZKV-LLVKDONJSA-N 1 3 184.327 1.703 20 0 ADADHO CNCCC[N@@H+]1CCC[C@@H](C)[C@H]1C 50566555 409380537 /nfs/dbraw/zinc/38/05/37/409380537.db2.gz CPFYSOWKGWFGJI-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@H+]1CCC[C@@H](C)[C@H]1C 50566555 409380540 /nfs/dbraw/zinc/38/05/40/409380540.db2.gz CPFYSOWKGWFGJI-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@@H+]1CCC[C@H](C)[C@H]1C 50566556 409380602 /nfs/dbraw/zinc/38/06/02/409380602.db2.gz CPFYSOWKGWFGJI-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CNCCC[N@H+]1CCC[C@H](C)[C@H]1C 50566556 409380606 /nfs/dbraw/zinc/38/06/06/409380606.db2.gz CPFYSOWKGWFGJI-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CCCC[C@H](C)NCC[NH2+]C1CC1 50890059 409380643 /nfs/dbraw/zinc/38/06/43/409380643.db2.gz HWXAUTQUHGTMNB-JTQLQIEISA-N 1 3 184.327 1.907 20 0 ADADHO CC(C)CN(C[C@@H]1CC[NH2+]C1)C1CC1 51889790 409383037 /nfs/dbraw/zinc/38/30/37/409383037.db2.gz CBLLHLZVLVDAAG-LLVKDONJSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H](N(C)C[C@@H]1CC[NH2+]C1)C(C)(C)C 51889857 409383054 /nfs/dbraw/zinc/38/30/54/409383054.db2.gz GMTZSDFPTPBOQC-WDEREUQCSA-N 1 3 198.354 1.962 20 0 ADADHO CC(C)CN(C[C@H]1CC[NH2+]C1)C1CC1 51889792 409383516 /nfs/dbraw/zinc/38/35/16/409383516.db2.gz CBLLHLZVLVDAAG-NSHDSACASA-N 1 3 196.338 1.716 20 0 ADADHO CC(C)C[NH2+]C[C@H](C)CN(C)C 52422655 409384040 /nfs/dbraw/zinc/38/40/40/409384040.db2.gz VMPKMUIVSZRAGD-JTQLQIEISA-N 1 3 172.316 1.430 20 0 ADADHO CC(C)C[NH2+]C[C@@H](C)CN(C)C 52422654 409384191 /nfs/dbraw/zinc/38/41/91/409384191.db2.gz VMPKMUIVSZRAGD-SNVBAGLBSA-N 1 3 172.316 1.430 20 0 ADADHO CN(C[C@H]1CC[NH2+]C1)CC(C)(C)C 51890104 409384359 /nfs/dbraw/zinc/38/43/59/409384359.db2.gz RGSYFTCMOYJBTC-JTQLQIEISA-N 1 3 184.327 1.574 20 0 ADADHO CN(C[C@@H]1CC[NH2+]C1)CC(C)(C)C 51890102 409384370 /nfs/dbraw/zinc/38/43/70/409384370.db2.gz RGSYFTCMOYJBTC-SNVBAGLBSA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@@H](C)[N@@H+]1CC[C@H](CNC)C1 53012292 409384582 /nfs/dbraw/zinc/38/45/82/409384582.db2.gz OGGVKEPFCSHHDO-NXEZZACHSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@@H](C)[N@H+]1CC[C@H](CNC)C1 53012292 409384588 /nfs/dbraw/zinc/38/45/88/409384588.db2.gz OGGVKEPFCSHHDO-NXEZZACHSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@H](C)[N@@H+]1CC[C@H](CNC)C1 53012294 409384879 /nfs/dbraw/zinc/38/48/79/409384879.db2.gz OGGVKEPFCSHHDO-VHSXEESVSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@H](C)[N@H+]1CC[C@H](CNC)C1 53012294 409384884 /nfs/dbraw/zinc/38/48/84/409384884.db2.gz OGGVKEPFCSHHDO-VHSXEESVSA-N 1 3 170.300 1.326 20 0 ADADHO CCC[NH2+]CCN[C@@H](C)C(C)C 53388086 409386399 /nfs/dbraw/zinc/38/63/99/409386399.db2.gz MYGJSQHTFFKIBE-JTQLQIEISA-N 1 3 172.316 1.620 20 0 ADADHO CCNCCC[NH2+]C1CCCC1 53499359 409386978 /nfs/dbraw/zinc/38/69/78/409386978.db2.gz AUYRFHPMCGLYJM-UHFFFAOYSA-N 1 3 170.300 1.518 20 0 ADADHO CCC[NH2+]CCN[C@H](C)C(C)C 53388088 409388234 /nfs/dbraw/zinc/38/82/34/409388234.db2.gz MYGJSQHTFFKIBE-SNVBAGLBSA-N 1 3 172.316 1.620 20 0 ADADHO CCC[C@H](C)NCC[NH2+]C1CC1 53388307 409388548 /nfs/dbraw/zinc/38/85/48/409388548.db2.gz AQCFRTSQBJZOCU-VIFPVBQESA-N 1 3 170.300 1.517 20 0 ADADHO CCC[C@@H](C)NCC[NH2+]C1CC1 53388305 409388654 /nfs/dbraw/zinc/38/86/54/409388654.db2.gz AQCFRTSQBJZOCU-SECBINFHSA-N 1 3 170.300 1.517 20 0 ADADHO C[C@@H](CN)C[NH2+]C(C1CC1)C1CC1 54345885 409392420 /nfs/dbraw/zinc/39/24/20/409392420.db2.gz DPTVDFYKRMVFLM-QMMMGPOBSA-N 1 3 182.311 1.359 20 0 ADADHO C[C@H](CN)C[NH2+]C(C1CC1)C1CC1 54345890 409392446 /nfs/dbraw/zinc/39/24/46/409392446.db2.gz DPTVDFYKRMVFLM-MRVPVSSYSA-N 1 3 182.311 1.359 20 0 ADADHO CC[C@@H](C)C[N@@H+]1CC[C@H](NC)C1 54472718 409394584 /nfs/dbraw/zinc/39/45/84/409394584.db2.gz HICAUSYXOBNYNG-ZJUUUORDSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@@H](C)C[N@H+]1CC[C@H](NC)C1 54472718 409394591 /nfs/dbraw/zinc/39/45/91/409394591.db2.gz HICAUSYXOBNYNG-ZJUUUORDSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@H](N)[C@H](C)C1 54472776 409395111 /nfs/dbraw/zinc/39/51/11/409395111.db2.gz GVXRJRMTWIRHML-AXFHLTTASA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@H](N)[C@H](C)C1 54472776 409395117 /nfs/dbraw/zinc/39/51/17/409395117.db2.gz GVXRJRMTWIRHML-AXFHLTTASA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)CN1CC[C@H]([NH3+])[C@H](C)C1 54472776 409395119 /nfs/dbraw/zinc/39/51/19/409395119.db2.gz GVXRJRMTWIRHML-AXFHLTTASA-N 1 3 184.327 1.702 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@H](CNC)C1 54473451 409395933 /nfs/dbraw/zinc/39/59/33/409395933.db2.gz BIQCKLFNCVIKNV-WDEREUQCSA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@H](CNC)C1 54473451 409395944 /nfs/dbraw/zinc/39/59/44/409395944.db2.gz BIQCKLFNCVIKNV-WDEREUQCSA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@H](C)C[N@@H+]1CC[C@H](NC)C1 54472722 409396044 /nfs/dbraw/zinc/39/60/44/409396044.db2.gz HICAUSYXOBNYNG-UWVGGRQHSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@H](C)C[N@H+]1CC[C@H](NC)C1 54472722 409396047 /nfs/dbraw/zinc/39/60/47/409396047.db2.gz HICAUSYXOBNYNG-UWVGGRQHSA-N 1 3 170.300 1.326 20 0 ADADHO CC[C@@H](C)C[N@@H+]1CC[C@H](CNC)C1 54473449 409396331 /nfs/dbraw/zinc/39/63/31/409396331.db2.gz BIQCKLFNCVIKNV-GHMZBOCLSA-N 1 3 184.327 1.574 20 0 ADADHO CC[C@@H](C)C[N@H+]1CC[C@H](CNC)C1 54473449 409396335 /nfs/dbraw/zinc/39/63/35/409396335.db2.gz BIQCKLFNCVIKNV-GHMZBOCLSA-N 1 3 184.327 1.574 20 0 ADADHO CCNCCC[NH2+]C(C1CC1)C1CC1 61299818 409397332 /nfs/dbraw/zinc/39/73/32/409397332.db2.gz DGWVONPNUHGUMM-UHFFFAOYSA-N 1 3 196.338 1.764 20 0 ADADHO C[NH2+]CCCN(C)CC1CCC1 61481355 409397907 /nfs/dbraw/zinc/39/79/07/409397907.db2.gz KVLPREQVQFYURD-UHFFFAOYSA-N 1 3 170.300 1.328 20 0 ADADHO CNCCC[N@H+](C)CC1CCC1 61481355 409397914 /nfs/dbraw/zinc/39/79/14/409397914.db2.gz KVLPREQVQFYURD-UHFFFAOYSA-N 1 3 170.300 1.328 20 0 ADADHO CNCCC[N@@H+](C)CC1CCC1 61481355 409397920 /nfs/dbraw/zinc/39/79/20/409397920.db2.gz KVLPREQVQFYURD-UHFFFAOYSA-N 1 3 170.300 1.328 20 0 ADADHO CC1(C)CCN(C[C@H]2CC[NH2+]C2)CC1 61820129 409400075 /nfs/dbraw/zinc/40/00/75/409400075.db2.gz WVZAFTPJTQXPIH-NSHDSACASA-N 1 3 196.338 1.718 20 0 ADADHO CC[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 62862235 409400812 /nfs/dbraw/zinc/40/08/12/409400812.db2.gz WLWVNEFVRKZKBY-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CC[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 62862233 409401838 /nfs/dbraw/zinc/40/18/38/409401838.db2.gz WLWVNEFVRKZKBY-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)CCC[N@@H+]1CC[C@H](CN)C1 62098070 409402384 /nfs/dbraw/zinc/40/23/84/409402384.db2.gz OPKLLBGCBHWIDK-LLVKDONJSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)CCC[N@H+]1CC[C@H](CN)C1 62098070 409402393 /nfs/dbraw/zinc/40/23/93/409402393.db2.gz OPKLLBGCBHWIDK-LLVKDONJSA-N 1 3 184.327 1.703 20 0 ADADHO CC[C@H](C)[NH2+]C[C@]1(C)CCCNC1 62862234 409402425 /nfs/dbraw/zinc/40/24/25/409402425.db2.gz WLWVNEFVRKZKBY-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]C[C@H]1CCN(CCCC(C)C)C1 62098085 409402655 /nfs/dbraw/zinc/40/26/55/409402655.db2.gz XPOYZBLHOWVCNE-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@H]1CC[N@H+](CCCC(C)C)C1 62098085 409402656 /nfs/dbraw/zinc/40/26/56/409402656.db2.gz XPOYZBLHOWVCNE-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@H]1CC[N@@H+](CCCC(C)C)C1 62098085 409402662 /nfs/dbraw/zinc/40/26/62/409402662.db2.gz XPOYZBLHOWVCNE-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)CCC[N@@H+]1CC[C@@H](CN)C1 62098071 409402684 /nfs/dbraw/zinc/40/26/84/409402684.db2.gz OPKLLBGCBHWIDK-NSHDSACASA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)CCC[N@H+]1CC[C@@H](CN)C1 62098071 409402686 /nfs/dbraw/zinc/40/26/86/409402686.db2.gz OPKLLBGCBHWIDK-NSHDSACASA-N 1 3 184.327 1.703 20 0 ADADHO C[NH2+]C[C@@H]1CCN(CCCC(C)C)C1 62098086 409402703 /nfs/dbraw/zinc/40/27/03/409402703.db2.gz XPOYZBLHOWVCNE-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@@H]1CC[N@H+](CCCC(C)C)C1 62098086 409402705 /nfs/dbraw/zinc/40/27/05/409402705.db2.gz XPOYZBLHOWVCNE-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CNC[C@@H]1CC[N@@H+](CCCC(C)C)C1 62098086 409402706 /nfs/dbraw/zinc/40/27/06/409402706.db2.gz XPOYZBLHOWVCNE-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 62862236 409402751 /nfs/dbraw/zinc/40/27/51/409402751.db2.gz WLWVNEFVRKZKBY-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CC[N@H+](CC1CC1)C[C@H]1CCCNC1 68947135 409408277 /nfs/dbraw/zinc/40/82/77/409408277.db2.gz QCNBQIRBJBCYQP-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO CC[N@@H+](CC1CC1)C[C@H]1CCCNC1 68947135 409408284 /nfs/dbraw/zinc/40/82/84/409408284.db2.gz QCNBQIRBJBCYQP-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO CCN(CC1CC1)C[C@H]1CC[NH2+]C1 69630382 409408519 /nfs/dbraw/zinc/40/85/19/409408519.db2.gz CJVCPXMRYPEGPB-NSHDSACASA-N 1 3 182.311 1.328 20 0 ADADHO CCN(CC1CC1)C[C@@H]1CC[NH2+]C1 69630379 409409542 /nfs/dbraw/zinc/40/95/42/409409542.db2.gz CJVCPXMRYPEGPB-LLVKDONJSA-N 1 3 182.311 1.328 20 0 ADADHO CC[N@H+](CC1CC1)C[C@@H]1CCCNC1 68947133 409410160 /nfs/dbraw/zinc/41/01/60/409410160.db2.gz QCNBQIRBJBCYQP-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CC[N@@H+](CC1CC1)C[C@@H]1CCCNC1 68947133 409410166 /nfs/dbraw/zinc/41/01/66/409410166.db2.gz QCNBQIRBJBCYQP-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO C[NH2+]CCCN1CCCC(C)(C)C1 69793269 409414682 /nfs/dbraw/zinc/41/46/82/409414682.db2.gz FFMKOSNLOVZHAM-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[N@@H+]1CCCC(C)(C)C1 69793269 409414685 /nfs/dbraw/zinc/41/46/85/409414685.db2.gz FFMKOSNLOVZHAM-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[N@H+]1CCCC(C)(C)C1 69793269 409414690 /nfs/dbraw/zinc/41/46/90/409414690.db2.gz FFMKOSNLOVZHAM-UHFFFAOYSA-N 1 3 184.327 1.718 20 0 ADADHO CNCCC[NH+](CC1CC1)CC1CC1 70064188 409417546 /nfs/dbraw/zinc/41/75/46/409417546.db2.gz BXFJUMOZYYBHIQ-UHFFFAOYSA-N 1 3 196.338 1.718 20 0 ADADHO CCC1([NH2+][C@H]2CCC[C@H](N)C2)CC1 656199088 409424093 /nfs/dbraw/zinc/42/40/93/409424093.db2.gz LEWXQHRZKINOTI-UWVGGRQHSA-N 1 3 182.311 1.789 20 0 ADADHO [NH3+][C@H]1CCC[C@H](NC[C@H]2CCCO2)C1 656199132 409424165 /nfs/dbraw/zinc/42/41/65/409424165.db2.gz PGVMHKDORNATET-GARJFASQSA-N 1 3 198.310 1.025 20 0 ADADHO COCC1(N[C@H]2CCC[C@@H]([NH3+])C2)CC1 656197774 409424223 /nfs/dbraw/zinc/42/42/23/409424223.db2.gz KUMMGXCYNQJHEB-ZJUUUORDSA-N 1 3 198.310 1.025 20 0 ADADHO CCC1([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 656199087 409424569 /nfs/dbraw/zinc/42/45/69/409424569.db2.gz LEWXQHRZKINOTI-NXEZZACHSA-N 1 3 182.311 1.789 20 0 ADADHO CCC1([NH2+][C@H]2CCC[C@@H](N)C2)CC1 656199090 409424665 /nfs/dbraw/zinc/42/46/65/409424665.db2.gz LEWXQHRZKINOTI-ZJUUUORDSA-N 1 3 182.311 1.789 20 0 ADADHO COCC1(N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 656197771 409424674 /nfs/dbraw/zinc/42/46/74/409424674.db2.gz KUMMGXCYNQJHEB-NXEZZACHSA-N 1 3 198.310 1.025 20 0 ADADHO COCC1(N[C@@H]2CCC[C@H]([NH3+])C2)CC1 656197773 409424803 /nfs/dbraw/zinc/42/48/03/409424803.db2.gz KUMMGXCYNQJHEB-VHSXEESVSA-N 1 3 198.310 1.025 20 0 ADADHO [NH3+][C@H]1CCC[C@@H](NC[C@H]2CCCO2)C1 656199133 409424959 /nfs/dbraw/zinc/42/49/59/409424959.db2.gz PGVMHKDORNATET-HBNTYKKESA-N 1 3 198.310 1.025 20 0 ADADHO CCC1([NH2+][C@@H]2CCC[C@H](N)C2)CC1 656199089 409424966 /nfs/dbraw/zinc/42/49/66/409424966.db2.gz LEWXQHRZKINOTI-VHSXEESVSA-N 1 3 182.311 1.789 20 0 ADADHO COCC1(N[C@H]2CCC[C@H]([NH3+])C2)CC1 656197772 409425155 /nfs/dbraw/zinc/42/51/55/409425155.db2.gz KUMMGXCYNQJHEB-UWVGGRQHSA-N 1 3 198.310 1.025 20 0 ADADHO CC(C)CCC[N@@H+]1CCC[C@H](N)C1 70585802 409427675 /nfs/dbraw/zinc/42/76/75/409427675.db2.gz TZQPIKXPPILNLH-NSHDSACASA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)CCC[N@H+]1CCC[C@H](N)C1 70585802 409427677 /nfs/dbraw/zinc/42/76/77/409427677.db2.gz TZQPIKXPPILNLH-NSHDSACASA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)CCC[N@@H+]1CCC[C@@H](N)C1 70585803 409428752 /nfs/dbraw/zinc/42/87/52/409428752.db2.gz TZQPIKXPPILNLH-LLVKDONJSA-N 1 3 184.327 1.846 20 0 ADADHO CC(C)CCC[N@H+]1CCC[C@@H](N)C1 70585803 409428757 /nfs/dbraw/zinc/42/87/57/409428757.db2.gz TZQPIKXPPILNLH-LLVKDONJSA-N 1 3 184.327 1.846 20 0 ADADHO CC1(C)CCCN(C[C@H]2CC[NH2+]C2)C1 70621669 409433793 /nfs/dbraw/zinc/43/37/93/409433793.db2.gz JSFWPFRDRIYIOI-NSHDSACASA-N 1 3 196.338 1.718 20 0 ADADHO CC1(C)CCCN(C[C@@H]2CC[NH2+]C2)C1 70621668 409434087 /nfs/dbraw/zinc/43/40/87/409434087.db2.gz JSFWPFRDRIYIOI-LLVKDONJSA-N 1 3 196.338 1.718 20 0 ADADHO C1CNC[C@H](C[NH2+][C@@]23CCC[C@@H]2C3)C1 656787611 409449780 /nfs/dbraw/zinc/44/97/80/409449780.db2.gz OYLZRVZVUGAOAT-IJLUTSLNSA-N 1 3 194.322 1.518 20 0 ADADHO C[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC1 656787991 409449838 /nfs/dbraw/zinc/44/98/38/409449838.db2.gz CMQZCSMEZYFUCE-DCAQKATOSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](CC1CCCC1)[NH2+][C@H]1CCNC1 656788044 409449947 /nfs/dbraw/zinc/44/99/47/409449947.db2.gz MRSRYAHTURRPMJ-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](CC1CCC1)[NH2+][C@H]1CCNC1 656787974 409450000 /nfs/dbraw/zinc/45/00/00/409450000.db2.gz AZCODIXSZCIDOV-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC2)C[C@H]1C 656788059 409450125 /nfs/dbraw/zinc/45/01/25/409450125.db2.gz OIVCMDPJYMFWID-KKOKHZNYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1 656787992 409450211 /nfs/dbraw/zinc/45/02/11/409450211.db2.gz CMQZCSMEZYFUCE-GARJFASQSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1CCC[C@@H](C[NH2+][C@H]2CCNC2)C1 656788016 409450262 /nfs/dbraw/zinc/45/02/62/409450262.db2.gz ITBUYFWLURONLY-TUAOUCFPSA-N 1 3 196.338 1.764 20 0 ADADHO CCCC(CCC)[NH2+][C@H]1CCNC1 656787984 409450281 /nfs/dbraw/zinc/45/02/81/409450281.db2.gz BZIGALMYUAWCQT-NSHDSACASA-N 1 3 184.327 1.907 20 0 ADADHO C[C@H]1CCC[C@H]([NH2+][C@H]2CCNC2)C1 656788067 409450297 /nfs/dbraw/zinc/45/02/97/409450297.db2.gz PAFZCRBMVZESSH-DCAQKATOSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 656788017 409450345 /nfs/dbraw/zinc/45/03/45/409450345.db2.gz IYFFANINOMPMND-GUBZILKMSA-N 1 3 168.284 1.127 20 0 ADADHO CC(C)C[C@H]([NH3+])CN[C@@]12CCC[C@@H]1C2 656787895 409450389 /nfs/dbraw/zinc/45/03/89/409450389.db2.gz YMOHKGGHBATXDH-GRYCIOLGSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@@H]1CC([NH2+][C@H]2CCNC2)C[C@@H](C)C1 656788046 409450456 /nfs/dbraw/zinc/45/04/56/409450456.db2.gz MRTJMTGHHVXQIN-DCAQKATOSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)(N)C[NH2+]Cc1cccc(N)c1 656787683 409450465 /nfs/dbraw/zinc/45/04/65/409450465.db2.gz RDYAEYDSOKNZMP-UHFFFAOYSA-N 1 3 193.294 1.096 20 0 ADADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCNC1 656788165 409450476 /nfs/dbraw/zinc/45/04/76/409450476.db2.gz QJPYOEJGWUPBGJ-MNOVXSKESA-N 1 3 184.327 1.620 20 0 ADADHO C[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CCNC1 656787954 409450512 /nfs/dbraw/zinc/45/05/12/409450512.db2.gz LGONDIROOLAWST-TUAOUCFPSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)C1 656788043 409450534 /nfs/dbraw/zinc/45/05/34/409450534.db2.gz MJINFQXSDFPESX-TUAOUCFPSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]1CCC[C@H]([NH2+][C@H]2CCNC2)C1 656788042 409450560 /nfs/dbraw/zinc/45/05/60/409450560.db2.gz MJINFQXSDFPESX-SRVKXCTJSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1C[C@H]([NH2+][C@H]2CCNC2)CC[C@H]1C 656788060 409450591 /nfs/dbraw/zinc/45/05/91/409450591.db2.gz OIVCMDPJYMFWID-KXNHARMFSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCNC1 656788167 409450625 /nfs/dbraw/zinc/45/06/25/409450625.db2.gz QJPYOEJGWUPBGJ-QWRGUYRKSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@H]1CCC[C@H](C[NH2+][C@H]2CCNC2)C1 656788015 409450644 /nfs/dbraw/zinc/45/06/44/409450644.db2.gz ITBUYFWLURONLY-SRVKXCTJSA-N 1 3 196.338 1.764 20 0 ADADHO CC(C)C[C@H]([NH3+])CN[C@]12CCC[C@H]1C2 656787897 409450696 /nfs/dbraw/zinc/45/06/96/409450696.db2.gz YMOHKGGHBATXDH-SRVKXCTJSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H]1CCCC[C@H]1C[NH2+][C@H]1CCNC1 656787953 409450705 /nfs/dbraw/zinc/45/07/05/409450705.db2.gz LGONDIROOLAWST-SRVKXCTJSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H](CC1CCC1)[NH2+][C@H]1CCNC1 656787973 409450804 /nfs/dbraw/zinc/45/08/04/409450804.db2.gz AZCODIXSZCIDOV-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO C1CNC[C@H](C[NH2+][C@]23CCC[C@H]2C3)C1 656787613 409450970 /nfs/dbraw/zinc/45/09/70/409450970.db2.gz OYLZRVZVUGAOAT-WOPDTQHZSA-N 1 3 194.322 1.518 20 0 ADADHO C[C@H](CC1CCCC1)[NH2+][C@H]1CCNC1 656788045 409451080 /nfs/dbraw/zinc/45/10/80/409451080.db2.gz MRSRYAHTURRPMJ-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 656788018 409451101 /nfs/dbraw/zinc/45/11/01/409451101.db2.gz IYFFANINOMPMND-LPEHRKFASA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)C1 656788066 409451146 /nfs/dbraw/zinc/45/11/46/409451146.db2.gz PAFZCRBMVZESSH-AXFHLTTASA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCNC1 656788241 409451756 /nfs/dbraw/zinc/45/17/56/409451756.db2.gz ZKVWULVLUGKKST-NOOOWODRSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)[C@@H]1C 656788208 409451808 /nfs/dbraw/zinc/45/18/08/409451808.db2.gz UPZLLRKPULOMHB-WISYIIOYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1OCC[C@@H]1[NH2+]CC1(N)CCCC1 656789513 409451894 /nfs/dbraw/zinc/45/18/94/409451894.db2.gz PGPDQODNJSWQGX-ZJUUUORDSA-N 1 3 198.310 1.025 20 0 ADADHO CC(C)[C@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 656788201 409452385 /nfs/dbraw/zinc/45/23/85/409452385.db2.gz UDNZSDZQVOHBDW-QJPTWQEYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC2)[C@H](C)C1 656788242 409452438 /nfs/dbraw/zinc/45/24/38/409452438.db2.gz ZKVWULVLUGKKST-WISYIIOYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2)C1 656788228 409452608 /nfs/dbraw/zinc/45/26/08/409452608.db2.gz XTFGEXXLGNAKSV-AEJSXWLSSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1CC[C@H]([NH2+][C@H]2CCNC2)C1 656788229 409452623 /nfs/dbraw/zinc/45/26/23/409452623.db2.gz XTFGEXXLGNAKSV-GUBZILKMSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1OCC[C@H]1[NH2+]CC1(N)CCCC1 656789512 409452639 /nfs/dbraw/zinc/45/26/39/409452639.db2.gz PGPDQODNJSWQGX-VHSXEESVSA-N 1 3 198.310 1.025 20 0 ADADHO [NH3+]C1(CNC2CCOCC2)CCCC1 656788766 409452768 /nfs/dbraw/zinc/45/27/68/409452768.db2.gz CCDNBLQFUMDACC-UHFFFAOYSA-N 1 3 198.310 1.027 20 0 ADADHO C[C@@H]1OCC[C@@H]1[NH2+]CC1(N)CCCC1 656789511 409452784 /nfs/dbraw/zinc/45/27/84/409452784.db2.gz PGPDQODNJSWQGX-UWVGGRQHSA-N 1 3 198.310 1.025 20 0 ADADHO C[C@H]1[C@H](C)CCC[C@H]1[NH2+][C@H]1CCNC1 656788207 409452876 /nfs/dbraw/zinc/45/28/76/409452876.db2.gz UPZLLRKPULOMHB-NOOOWODRSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H]1OCC[C@H]1[NH2+]CC1(N)CCCC1 656789510 409453020 /nfs/dbraw/zinc/45/30/20/409453020.db2.gz PGPDQODNJSWQGX-NXEZZACHSA-N 1 3 198.310 1.025 20 0 ADADHO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 656788202 409453048 /nfs/dbraw/zinc/45/30/48/409453048.db2.gz UDNZSDZQVOHBDW-SDDRHHMPSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 656788203 409453079 /nfs/dbraw/zinc/45/30/79/409453079.db2.gz UDNZSDZQVOHBDW-SRVKXCTJSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 656788204 409453179 /nfs/dbraw/zinc/45/31/79/409453179.db2.gz UDNZSDZQVOHBDW-TUAOUCFPSA-N 1 3 196.338 1.763 20 0 ADADHO CCC[NH2+][C@@H](C)C[C@@H](C)N 104563963 409453509 /nfs/dbraw/zinc/45/35/09/409453509.db2.gz MWLIDPLRHYDULK-SFYZADRCSA-N 1 3 144.262 1.112 20 0 ADADHO CCC[NH2+][C@H](C)C[C@H](C)N 104563973 409454870 /nfs/dbraw/zinc/45/48/70/409454870.db2.gz MWLIDPLRHYDULK-JGVFFNPUSA-N 1 3 144.262 1.112 20 0 ADADHO CCC[NH2+][C@@H](C)C[C@H](C)N 104563970 409454961 /nfs/dbraw/zinc/45/49/61/409454961.db2.gz MWLIDPLRHYDULK-YUMQZZPRSA-N 1 3 144.262 1.112 20 0 ADADHO CCC[NH2+][C@H](C)C[C@@H](C)N 104563967 409455290 /nfs/dbraw/zinc/45/52/90/409455290.db2.gz MWLIDPLRHYDULK-HTQZYQBOSA-N 1 3 144.262 1.112 20 0 ADADHO CC[C@@H]1CC[N@H+](CCCNC)C1 108289223 409458275 /nfs/dbraw/zinc/45/82/75/409458275.db2.gz UXLONOGEINRJKH-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO CC[C@@H]1CC[N@@H+](CCCNC)C1 108289223 409458281 /nfs/dbraw/zinc/45/82/81/409458281.db2.gz UXLONOGEINRJKH-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO CC[C@@H]1CCN(CCC[NH2+]C)C1 108289223 409458286 /nfs/dbraw/zinc/45/82/86/409458286.db2.gz UXLONOGEINRJKH-SNVBAGLBSA-N 1 3 170.300 1.328 20 0 ADADHO C[NH2+]CCCN1CCC(C(C)C)CC1 108310492 409459215 /nfs/dbraw/zinc/45/92/15/409459215.db2.gz FNMIDGYDTPIJLJ-UHFFFAOYSA-N 1 3 198.354 1.964 20 0 ADADHO CNCCC[NH+]1CCC(C(C)C)CC1 108310492 409459218 /nfs/dbraw/zinc/45/92/18/409459218.db2.gz FNMIDGYDTPIJLJ-UHFFFAOYSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@H]1CC[N@H+](CCCNC)C1 108289226 409459527 /nfs/dbraw/zinc/45/95/27/409459527.db2.gz UXLONOGEINRJKH-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO CC[C@H]1CC[N@@H+](CCCNC)C1 108289226 409459531 /nfs/dbraw/zinc/45/95/31/409459531.db2.gz UXLONOGEINRJKH-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO CC[C@H]1CCN(CCC[NH2+]C)C1 108289226 409459535 /nfs/dbraw/zinc/45/95/35/409459535.db2.gz UXLONOGEINRJKH-JTQLQIEISA-N 1 3 170.300 1.328 20 0 ADADHO CC[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 108295243 409459609 /nfs/dbraw/zinc/45/96/09/409459609.db2.gz IIDIKTKXCNJZEK-GHMZBOCLSA-N 1 3 182.311 1.328 20 0 ADADHO CC[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 108295247 409460293 /nfs/dbraw/zinc/46/02/93/409460293.db2.gz IIDIKTKXCNJZEK-WDEREUQCSA-N 1 3 182.311 1.328 20 0 ADADHO CNCCC[N@@H+]1C[C@H](C)C[C@@H]1C 123847308 409466900 /nfs/dbraw/zinc/46/69/00/409466900.db2.gz WAUZQUINJPDBDU-ZJUUUORDSA-N 1 3 170.300 1.326 20 0 ADADHO CNCCC[N@H+]1C[C@H](C)C[C@@H]1C 123847308 409466905 /nfs/dbraw/zinc/46/69/05/409466905.db2.gz WAUZQUINJPDBDU-ZJUUUORDSA-N 1 3 170.300 1.326 20 0 ADADHO CCN(C)CC[C@@H]([NH3+])C(C)C 123650706 409467038 /nfs/dbraw/zinc/46/70/38/409467038.db2.gz YIMFWYXZAUKDKY-SECBINFHSA-N 1 3 158.289 1.312 20 0 ADADHO CNCCC[N@@H+]1C[C@H](C)C[C@H]1C 123847731 409467235 /nfs/dbraw/zinc/46/72/35/409467235.db2.gz WAUZQUINJPDBDU-NXEZZACHSA-N 1 3 170.300 1.326 20 0 ADADHO CNCCC[N@H+]1C[C@H](C)C[C@H]1C 123847731 409467239 /nfs/dbraw/zinc/46/72/39/409467239.db2.gz WAUZQUINJPDBDU-NXEZZACHSA-N 1 3 170.300 1.326 20 0 ADADHO CNCCC[N@@H+]1C[C@@H](C)C[C@@H]1C 123847513 409467415 /nfs/dbraw/zinc/46/74/15/409467415.db2.gz WAUZQUINJPDBDU-UWVGGRQHSA-N 1 3 170.300 1.326 20 0 ADADHO CNCCC[N@H+]1C[C@@H](C)C[C@@H]1C 123847513 409467418 /nfs/dbraw/zinc/46/74/18/409467418.db2.gz WAUZQUINJPDBDU-UWVGGRQHSA-N 1 3 170.300 1.326 20 0 ADADHO CC[NH2+]CCCNC1CC(C)C1 123581919 409468188 /nfs/dbraw/zinc/46/81/88/409468188.db2.gz KBEIAEXCLLSSQQ-UHFFFAOYSA-N 1 3 170.300 1.374 20 0 ADADHO CCNCCC[NH2+]C1CC(C)C1 123581919 409468191 /nfs/dbraw/zinc/46/81/91/409468191.db2.gz KBEIAEXCLLSSQQ-UHFFFAOYSA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[N@@H+]1C[C@@H](C)C[C@H]1C 123847952 409468317 /nfs/dbraw/zinc/46/83/17/409468317.db2.gz WAUZQUINJPDBDU-VHSXEESVSA-N 1 3 170.300 1.326 20 0 ADADHO CNCCC[N@H+]1C[C@@H](C)C[C@H]1C 123847952 409468323 /nfs/dbraw/zinc/46/83/23/409468323.db2.gz WAUZQUINJPDBDU-VHSXEESVSA-N 1 3 170.300 1.326 20 0 ADADHO CC1CC(NCCC[NH2+]C(C)C)C1 123589181 409468379 /nfs/dbraw/zinc/46/83/79/409468379.db2.gz HZQDPEACVXLTRR-UHFFFAOYSA-N 1 3 184.327 1.763 20 0 ADADHO CC1CC([NH2+]CCCNC(C)C)C1 123589181 409468385 /nfs/dbraw/zinc/46/83/85/409468385.db2.gz HZQDPEACVXLTRR-UHFFFAOYSA-N 1 3 184.327 1.763 20 0 ADADHO CCN(C)CC[C@H]([NH3+])C(C)C 123650420 409468519 /nfs/dbraw/zinc/46/85/19/409468519.db2.gz YIMFWYXZAUKDKY-VIFPVBQESA-N 1 3 158.289 1.312 20 0 ADADHO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCNC 124430124 409469994 /nfs/dbraw/zinc/46/99/94/409469994.db2.gz NWTGUMDEFDKGSY-WDEREUQCSA-N 1 3 184.327 1.859 20 0 ADADHO CC[C@@H]1CC[C@H](C)[N@H+]1CCCNC 124430124 409469997 /nfs/dbraw/zinc/46/99/97/409469997.db2.gz NWTGUMDEFDKGSY-WDEREUQCSA-N 1 3 184.327 1.859 20 0 ADADHO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCNC 124430814 409470720 /nfs/dbraw/zinc/47/07/20/409470720.db2.gz NWTGUMDEFDKGSY-MNOVXSKESA-N 1 3 184.327 1.859 20 0 ADADHO CC[C@H]1CC[C@@H](C)[N@H+]1CCCNC 124430814 409470728 /nfs/dbraw/zinc/47/07/28/409470728.db2.gz NWTGUMDEFDKGSY-MNOVXSKESA-N 1 3 184.327 1.859 20 0 ADADHO CC[C@H]1CC[C@H](C)[N@@H+]1CCCNC 124430309 409471538 /nfs/dbraw/zinc/47/15/38/409471538.db2.gz NWTGUMDEFDKGSY-QWRGUYRKSA-N 1 3 184.327 1.859 20 0 ADADHO CC[C@H]1CC[C@H](C)[N@H+]1CCCNC 124430309 409471541 /nfs/dbraw/zinc/47/15/41/409471541.db2.gz NWTGUMDEFDKGSY-QWRGUYRKSA-N 1 3 184.327 1.859 20 0 ADADHO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCNC 124430579 409471582 /nfs/dbraw/zinc/47/15/82/409471582.db2.gz NWTGUMDEFDKGSY-GHMZBOCLSA-N 1 3 184.327 1.859 20 0 ADADHO CC[C@@H]1CC[C@@H](C)[N@H+]1CCCNC 124430579 409471588 /nfs/dbraw/zinc/47/15/88/409471588.db2.gz NWTGUMDEFDKGSY-GHMZBOCLSA-N 1 3 184.327 1.859 20 0 ADADHO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2)C1 128550078 409476862 /nfs/dbraw/zinc/47/68/62/409476862.db2.gz XTFGEXXLGNAKSV-IVZWLZJFSA-N 1 3 168.284 1.127 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCF 126995141 409477185 /nfs/dbraw/zinc/47/71/85/409477185.db2.gz JBGUNLCOEJIMAI-DTWKUNHWSA-N 1 3 174.263 1.015 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCF 126995141 409477179 /nfs/dbraw/zinc/47/71/79/409477179.db2.gz JBGUNLCOEJIMAI-DTWKUNHWSA-N 1 3 174.263 1.015 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCF 126995366 409477823 /nfs/dbraw/zinc/47/78/23/409477823.db2.gz JBGUNLCOEJIMAI-BDAKNGLRSA-N 1 3 174.263 1.015 20 0 ADADHO C[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2)C1 128549626 409477776 /nfs/dbraw/zinc/47/77/76/409477776.db2.gz XTFGEXXLGNAKSV-LPEHRKFASA-N 1 3 168.284 1.127 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCF 126995366 409477818 /nfs/dbraw/zinc/47/78/18/409477818.db2.gz JBGUNLCOEJIMAI-BDAKNGLRSA-N 1 3 174.263 1.015 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCF 126994901 409477906 /nfs/dbraw/zinc/47/79/06/409477906.db2.gz JBGUNLCOEJIMAI-RKDXNWHRSA-N 1 3 174.263 1.015 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCF 126994901 409477910 /nfs/dbraw/zinc/47/79/10/409477910.db2.gz JBGUNLCOEJIMAI-RKDXNWHRSA-N 1 3 174.263 1.015 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCF 126995553 409478708 /nfs/dbraw/zinc/47/87/08/409478708.db2.gz JBGUNLCOEJIMAI-IUCAKERBSA-N 1 3 174.263 1.015 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCF 126995553 409478711 /nfs/dbraw/zinc/47/87/11/409478711.db2.gz JBGUNLCOEJIMAI-IUCAKERBSA-N 1 3 174.263 1.015 20 0 ADADHO CCNCCC[NH2+][C@@H]1CC[C@H](C)C1 129438095 409480258 /nfs/dbraw/zinc/48/02/58/409480258.db2.gz MGMFYIYNZYNZSU-WDEREUQCSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)(C)CC[NH2+][C@H]1CCNC1 129983069 409480318 /nfs/dbraw/zinc/48/03/18/409480318.db2.gz NOPHOAACLBRCSJ-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CCNCCC[NH2+][C@H]1CC[C@@H](C)C1 129438735 409480754 /nfs/dbraw/zinc/48/07/54/409480754.db2.gz MGMFYIYNZYNZSU-MNOVXSKESA-N 1 3 184.327 1.764 20 0 ADADHO CCNCCC[NH2+][C@@H]1CC[C@@H](C)C1 129438484 409480843 /nfs/dbraw/zinc/48/08/43/409480843.db2.gz MGMFYIYNZYNZSU-GHMZBOCLSA-N 1 3 184.327 1.764 20 0 ADADHO CCNCCC[NH2+][C@H]1CC[C@H](C)C1 129438254 409481117 /nfs/dbraw/zinc/48/11/17/409481117.db2.gz MGMFYIYNZYNZSU-QWRGUYRKSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)(C)CC[NH2+][C@@H]1CCNC1 129982883 409481498 /nfs/dbraw/zinc/48/14/98/409481498.db2.gz NOPHOAACLBRCSJ-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO CCC(CC)C[NH2+][C@@H]1CCNC1 130252563 409482357 /nfs/dbraw/zinc/48/23/57/409482357.db2.gz WERIKVCNMTXZSI-SNVBAGLBSA-N 1 3 170.300 1.374 20 0 ADADHO CCC(CC)C[NH2+][C@H]1CCNC1 130252760 409483794 /nfs/dbraw/zinc/48/37/94/409483794.db2.gz WERIKVCNMTXZSI-JTQLQIEISA-N 1 3 170.300 1.374 20 0 ADADHO CC(C)CC[N@@H+]1C[C@@H](CN)C[C@@H]1C 131534007 409486191 /nfs/dbraw/zinc/48/61/91/409486191.db2.gz MVBPWBKAQCTCFY-WDEREUQCSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CC[N@H+]1C[C@@H](CN)C[C@@H]1C 131534007 409486198 /nfs/dbraw/zinc/48/61/98/409486198.db2.gz MVBPWBKAQCTCFY-WDEREUQCSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CC[N@@H+]1C[C@@H](CN)C[C@H]1C 131533818 409486285 /nfs/dbraw/zinc/48/62/85/409486285.db2.gz MVBPWBKAQCTCFY-GHMZBOCLSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)[C@H]([NH3+])CCN(C)CC1CC1 131229133 409487278 /nfs/dbraw/zinc/48/72/78/409487278.db2.gz NRIRQQYBXUIGDG-LLVKDONJSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CC[N@@H+]1C[C@H](CN)C[C@H]1C 131534203 409487462 /nfs/dbraw/zinc/48/74/62/409487462.db2.gz MVBPWBKAQCTCFY-MNOVXSKESA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CC[N@H+]1C[C@H](CN)C[C@H]1C 131534203 409487465 /nfs/dbraw/zinc/48/74/65/409487465.db2.gz MVBPWBKAQCTCFY-MNOVXSKESA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CC[N@@H+]1C[C@H](CN)C[C@@H]1C 131534416 409487509 /nfs/dbraw/zinc/48/75/09/409487509.db2.gz MVBPWBKAQCTCFY-QWRGUYRKSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)CC[N@H+]1C[C@H](CN)C[C@@H]1C 131534416 409487514 /nfs/dbraw/zinc/48/75/14/409487514.db2.gz MVBPWBKAQCTCFY-QWRGUYRKSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)[C@@H]([NH3+])CCN(C)CC1CC1 131229314 409487550 /nfs/dbraw/zinc/48/75/50/409487550.db2.gz NRIRQQYBXUIGDG-NSHDSACASA-N 1 3 184.327 1.702 20 0 ADADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)C1CC1 132467591 409488416 /nfs/dbraw/zinc/48/84/16/409488416.db2.gz JJUMKJHGZOMSGR-ADEWGFFLSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)C1CC1 132479830 409489190 /nfs/dbraw/zinc/48/91/90/409489190.db2.gz KYICYMAVOCPZQD-YUSALJHKSA-N 1 3 196.338 1.750 20 0 ADADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)C1CC1 132467980 409490026 /nfs/dbraw/zinc/49/00/26/409490026.db2.gz JJUMKJHGZOMSGR-USWWRNFRSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)[C@@H]([NH3+])CCN(C)C(C)C 133301456 409493334 /nfs/dbraw/zinc/49/33/34/409493334.db2.gz YEDVBTIPQCAQJI-JTQLQIEISA-N 1 3 172.316 1.700 20 0 ADADHO CC(C)[C@H]([NH3+])CCN(C)C(C)C 133301262 409494814 /nfs/dbraw/zinc/49/48/14/409494814.db2.gz YEDVBTIPQCAQJI-SNVBAGLBSA-N 1 3 172.316 1.700 20 0 ADADHO CCCCN1CCC(C)([NH3+])CC1 218808849 409513664 /nfs/dbraw/zinc/51/36/64/409513664.db2.gz CFHRNHOWWUUXKB-UHFFFAOYSA-N 1 3 170.300 1.600 20 0 ADADHO C[C@H]1CCCC[C@H]1CN1CC[C@@H]([NH3+])C1 218450504 409513990 /nfs/dbraw/zinc/51/39/90/409513990.db2.gz SHTDCVCNLFZKAP-SDDRHHMPSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CCCC[C@@H]1CN1CC[C@@H]([NH3+])C1 218450361 409514059 /nfs/dbraw/zinc/51/40/59/409514059.db2.gz SHTDCVCNLFZKAP-QJPTWQEYSA-N 1 3 196.338 1.846 20 0 ADADHO CN(C[C@@H]1CC[NH2+]C1)C(C)(C)C 218810388 409514114 /nfs/dbraw/zinc/51/41/14/409514114.db2.gz LNTPWUVBDQPWKB-SECBINFHSA-N 1 3 170.300 1.326 20 0 ADADHO C[C@@H]1CCCC[C@@H]1CN1CC[C@@H]([NH3+])C1 218450292 409514200 /nfs/dbraw/zinc/51/42/00/409514200.db2.gz SHTDCVCNLFZKAP-IJLUTSLNSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CCCC[C@H]1CN1CC[C@@H]([NH3+])C1 218450431 409514577 /nfs/dbraw/zinc/51/45/77/409514577.db2.gz SHTDCVCNLFZKAP-GRYCIOLGSA-N 1 3 196.338 1.846 20 0 ADADHO CN(C[C@H]1CC[NH2+]C1)C(C)(C)C 218810459 409514613 /nfs/dbraw/zinc/51/46/13/409514613.db2.gz LNTPWUVBDQPWKB-VIFPVBQESA-N 1 3 170.300 1.326 20 0 ADADHO CCCCCN1CC[C@@H]([NH3+])[C@@H](C)C1 219758524 409517704 /nfs/dbraw/zinc/51/77/04/409517704.db2.gz JGIMCMSKAMGJOV-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219758524 409517709 /nfs/dbraw/zinc/51/77/09/409517709.db2.gz JGIMCMSKAMGJOV-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@H+]1CC[C@@H](N)[C@@H](C)C1 219758524 409517716 /nfs/dbraw/zinc/51/77/16/409517716.db2.gz JGIMCMSKAMGJOV-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCCN1CC[C@H]([NH3+])[C@@H](C)C1 219758598 409518035 /nfs/dbraw/zinc/51/80/35/409518035.db2.gz JGIMCMSKAMGJOV-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@@H+]1CC[C@H](N)[C@@H](C)C1 219758598 409518041 /nfs/dbraw/zinc/51/80/41/409518041.db2.gz JGIMCMSKAMGJOV-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CCCCC[N@H+]1CC[C@H](N)[C@@H](C)C1 219758598 409518047 /nfs/dbraw/zinc/51/80/47/409518047.db2.gz JGIMCMSKAMGJOV-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCN1 300057327 409531858 /nfs/dbraw/zinc/53/18/58/409531858.db2.gz OQMCYZPIOJPNEF-GARJFASQSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 300211539 409532295 /nfs/dbraw/zinc/53/22/95/409532295.db2.gz QUXVJXDCSWSFAF-AEJSXWLSSA-N 1 3 170.300 1.515 20 0 ADADHO CC1(C)C[C@@H]1C[NH2+][C@H]1CCC[C@H]1CN 300391586 409532449 /nfs/dbraw/zinc/53/24/49/409532449.db2.gz VWNSFZMSSGXEON-AXFHLTTASA-N 1 3 196.338 1.750 20 0 ADADHO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CN 300391587 409532610 /nfs/dbraw/zinc/53/26/10/409532610.db2.gz VWNSFZMSSGXEON-HBNTYKKESA-N 1 3 196.338 1.750 20 0 ADADHO CC[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 300211540 409532647 /nfs/dbraw/zinc/53/26/47/409532647.db2.gz QUXVJXDCSWSFAF-IVZWLZJFSA-N 1 3 170.300 1.515 20 0 ADADHO CC[C@H](C)CN1C[C@@H]([NH3+])[C@H](C)C1 300050047 409533006 /nfs/dbraw/zinc/53/30/06/409533006.db2.gz WSOWNBVEOUOQEK-IVZWLZJFSA-N 1 3 170.300 1.312 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN1 300057328 409533056 /nfs/dbraw/zinc/53/30/56/409533056.db2.gz OQMCYZPIOJPNEF-HBNTYKKESA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)C[C@H](C)CN1CC[C@@H]([NH3+])C1 300960043 409540534 /nfs/dbraw/zinc/54/05/34/409540534.db2.gz QVHQVJAQUOXRQQ-WDEREUQCSA-N 1 3 184.327 1.702 20 0 ADADHO CCCC[NH2+][C@H]1CCNCC1(C)C 300864550 409536038 /nfs/dbraw/zinc/53/60/38/409536038.db2.gz PSIDJPHUYZOONP-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)C[C@H](C)CN1C[C@@H]([NH3+])[C@H](C)C1 300853661 409536292 /nfs/dbraw/zinc/53/62/92/409536292.db2.gz FPUCCFNEFAUXCR-QJPTWQEYSA-N 1 3 198.354 1.948 20 0 ADADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](CN)C1 300875541 409537106 /nfs/dbraw/zinc/53/71/06/409537106.db2.gz ICWICMDUPAHYOU-RYUDHWBXSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](CN)C1 300875541 409537110 /nfs/dbraw/zinc/53/71/10/409537110.db2.gz ICWICMDUPAHYOU-RYUDHWBXSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](CN)C1 300875544 409537205 /nfs/dbraw/zinc/53/72/05/409537205.db2.gz ICWICMDUPAHYOU-VXGBXAGGSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](CN)C1 300875544 409537211 /nfs/dbraw/zinc/53/72/11/409537211.db2.gz ICWICMDUPAHYOU-VXGBXAGGSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)C[C@H](C)C[N@H+](C)CCCN 300860788 409537492 /nfs/dbraw/zinc/53/74/92/409537492.db2.gz GJQVGOLREYISGO-NSHDSACASA-N 1 3 186.343 1.949 20 0 ADADHO CC(C)C[C@H](C)C[N@@H+](C)CCCN 300860788 409537495 /nfs/dbraw/zinc/53/74/95/409537495.db2.gz GJQVGOLREYISGO-NSHDSACASA-N 1 3 186.343 1.949 20 0 ADADHO CC(C)C[C@H](C)CN(C)CCC[NH3+] 300860788 409537505 /nfs/dbraw/zinc/53/75/05/409537505.db2.gz GJQVGOLREYISGO-NSHDSACASA-N 1 3 186.343 1.949 20 0 ADADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](CN)C1 300875534 409537791 /nfs/dbraw/zinc/53/77/91/409537791.db2.gz ICWICMDUPAHYOU-NEPJUHHUSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](CN)C1 300875534 409537798 /nfs/dbraw/zinc/53/77/98/409537798.db2.gz ICWICMDUPAHYOU-NEPJUHHUSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](CN)C1 300875538 409537944 /nfs/dbraw/zinc/53/79/44/409537944.db2.gz ICWICMDUPAHYOU-NWDGAFQWSA-N 1 3 198.354 1.949 20 0 ADADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](CN)C1 300875538 409537950 /nfs/dbraw/zinc/53/79/50/409537950.db2.gz ICWICMDUPAHYOU-NWDGAFQWSA-N 1 3 198.354 1.949 20 0 ADADHO CCCC[NH2+][C@@H]1CCNCC1(C)C 300864553 409538015 /nfs/dbraw/zinc/53/80/15/409538015.db2.gz PSIDJPHUYZOONP-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)C[C@@H](C)C[N@H+](C)CCCN 300860786 409538053 /nfs/dbraw/zinc/53/80/53/409538053.db2.gz GJQVGOLREYISGO-LLVKDONJSA-N 1 3 186.343 1.949 20 0 ADADHO CC(C)C[C@@H](C)C[N@@H+](C)CCCN 300860786 409538058 /nfs/dbraw/zinc/53/80/58/409538058.db2.gz GJQVGOLREYISGO-LLVKDONJSA-N 1 3 186.343 1.949 20 0 ADADHO CC(C)C[C@@H](C)CN(C)CCC[NH3+] 300860786 409538063 /nfs/dbraw/zinc/53/80/63/409538063.db2.gz GJQVGOLREYISGO-LLVKDONJSA-N 1 3 186.343 1.949 20 0 ADADHO CC(C)C[C@@H](C)CN1CC[C@H]([NH3+])C1 300960041 409541000 /nfs/dbraw/zinc/54/10/00/409541000.db2.gz QVHQVJAQUOXRQQ-MNOVXSKESA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)C[C@@H](C)CN1CC[C@@H]([NH3+])C1 300960040 409541174 /nfs/dbraw/zinc/54/11/74/409541174.db2.gz QVHQVJAQUOXRQQ-GHMZBOCLSA-N 1 3 184.327 1.702 20 0 ADADHO CC(C)C[C@H](C)CN1CC[C@H]([NH3+])C1 300960042 409541716 /nfs/dbraw/zinc/54/17/16/409541716.db2.gz QVHQVJAQUOXRQQ-QWRGUYRKSA-N 1 3 184.327 1.702 20 0 ADADHO CN(CC1(C)CC1)C1CC[NH2+]CC1 306190446 409546897 /nfs/dbraw/zinc/54/68/97/409546897.db2.gz WNPPYCPXPJYRJP-UHFFFAOYSA-N 1 3 182.311 1.470 20 0 ADADHO CC(C)=CCCN1C[C@@H]2C[NH2+]C[C@@H]2C1 659850734 409553981 /nfs/dbraw/zinc/55/39/81/409553981.db2.gz VCDBARBTWDFWKL-TXEJJXNPSA-N 1 3 194.322 1.494 20 0 ADADHO CC(C)=CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 659850730 409554062 /nfs/dbraw/zinc/55/40/62/409554062.db2.gz VCDBARBTWDFWKL-RYUDHWBXSA-N 1 3 194.322 1.494 20 0 ADADHO CC(C)=CCCN1C[C@H]2C[NH2+]C[C@@H]2C1 659850736 409554689 /nfs/dbraw/zinc/55/46/89/409554689.db2.gz VCDBARBTWDFWKL-VXGBXAGGSA-N 1 3 194.322 1.494 20 0 ADADHO CC(C)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 306348499 409561494 /nfs/dbraw/zinc/56/14/94/409561494.db2.gz SOFVIPNLJHRJAO-RYUDHWBXSA-N 1 3 196.338 1.703 20 0 ADADHO CC(C)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 306348499 409561506 /nfs/dbraw/zinc/56/15/06/409561506.db2.gz SOFVIPNLJHRJAO-RYUDHWBXSA-N 1 3 196.338 1.703 20 0 ADADHO C[C@H]1[C@H](C)CC[N@@H+]1C[C@H]1CCCNC1 306695013 409583809 /nfs/dbraw/zinc/58/38/09/409583809.db2.gz VNGMODWYEXXUOC-WOPDTQHZSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H]1[C@H](C)CC[N@H+]1C[C@H]1CCCNC1 306695013 409583811 /nfs/dbraw/zinc/58/38/11/409583811.db2.gz VNGMODWYEXXUOC-WOPDTQHZSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)[C@@H]1C 306695012 409584348 /nfs/dbraw/zinc/58/43/48/409584348.db2.gz VNGMODWYEXXUOC-UTUOFQBUSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)[C@@H]1C 306695012 409584351 /nfs/dbraw/zinc/58/43/51/409584351.db2.gz VNGMODWYEXXUOC-UTUOFQBUSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H]1CC[N@H+](CCCN)[C@@H]1C 306738135 409588113 /nfs/dbraw/zinc/58/81/13/409588113.db2.gz IIDBZXYLTYHQQX-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO C[C@@H]1CC[N@@H+](CCCN)[C@@H]1C 306738135 409588117 /nfs/dbraw/zinc/58/81/17/409588117.db2.gz IIDBZXYLTYHQQX-RKDXNWHRSA-N 1 3 156.273 1.066 20 0 ADADHO CC[C@H]1C[N@H+](CC2(C)CC2)CC[C@@H]1N 306769213 409590522 /nfs/dbraw/zinc/59/05/22/409590522.db2.gz ADFJTVNOAKQHPM-QWRGUYRKSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@H]1C[N@@H+](CC2(C)CC2)CC[C@@H]1N 306769213 409590531 /nfs/dbraw/zinc/59/05/31/409590531.db2.gz ADFJTVNOAKQHPM-QWRGUYRKSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@H]1CN(CC2(C)CC2)CC[C@@H]1[NH3+] 306769213 409590540 /nfs/dbraw/zinc/59/05/40/409590540.db2.gz ADFJTVNOAKQHPM-QWRGUYRKSA-N 1 3 196.338 1.846 20 0 ADADHO CC1(C)[C@H]2CN(C[C@H]3CC[NH2+]C3)C[C@H]21 306767770 409590596 /nfs/dbraw/zinc/59/05/96/409590596.db2.gz PGHIFWKRXAIDRM-GARJFASQSA-N 1 3 194.322 1.184 20 0 ADADHO CC[C@@H]1CN(CC2(C)CC2)CC[C@H]1[NH3+] 306769206 409590871 /nfs/dbraw/zinc/59/08/71/409590871.db2.gz ADFJTVNOAKQHPM-GHMZBOCLSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H]1C[N@H+](CC2(C)CC2)CC[C@H]1N 306769206 409590863 /nfs/dbraw/zinc/59/08/63/409590863.db2.gz ADFJTVNOAKQHPM-GHMZBOCLSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H]1C[N@@H+](CC2(C)CC2)CC[C@H]1N 306769206 409590865 /nfs/dbraw/zinc/59/08/65/409590865.db2.gz ADFJTVNOAKQHPM-GHMZBOCLSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H]1C[N@H+](CC2(C)CC2)CC[C@@H]1N 306769207 409591469 /nfs/dbraw/zinc/59/14/69/409591469.db2.gz ADFJTVNOAKQHPM-MNOVXSKESA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H]1C[N@@H+](CC2(C)CC2)CC[C@@H]1N 306769207 409591475 /nfs/dbraw/zinc/59/14/75/409591475.db2.gz ADFJTVNOAKQHPM-MNOVXSKESA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H]1CN(CC2(C)CC2)CC[C@@H]1[NH3+] 306769207 409591481 /nfs/dbraw/zinc/59/14/81/409591481.db2.gz ADFJTVNOAKQHPM-MNOVXSKESA-N 1 3 196.338 1.846 20 0 ADADHO CCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 306782731 409591807 /nfs/dbraw/zinc/59/18/07/409591807.db2.gz FVUHDMHUULPNIX-QWRGUYRKSA-N 1 3 182.311 1.457 20 0 ADADHO CCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 306782731 409591815 /nfs/dbraw/zinc/59/18/15/409591815.db2.gz FVUHDMHUULPNIX-QWRGUYRKSA-N 1 3 182.311 1.457 20 0 ADADHO CC[C@H]1C[N@H+](CC2(C)CC2)CC[C@H]1N 306769214 409592016 /nfs/dbraw/zinc/59/20/16/409592016.db2.gz ADFJTVNOAKQHPM-WDEREUQCSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@H]1C[N@@H+](CC2(C)CC2)CC[C@H]1N 306769214 409592024 /nfs/dbraw/zinc/59/20/24/409592024.db2.gz ADFJTVNOAKQHPM-WDEREUQCSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@H]1CN(CC2(C)CC2)CC[C@H]1[NH3+] 306769214 409592030 /nfs/dbraw/zinc/59/20/30/409592030.db2.gz ADFJTVNOAKQHPM-WDEREUQCSA-N 1 3 196.338 1.846 20 0 ADADHO CC1(C)[C@H]2CN(C[C@@H]3CC[NH2+]C3)C[C@H]21 306767773 409592082 /nfs/dbraw/zinc/59/20/82/409592082.db2.gz PGHIFWKRXAIDRM-MXWKQRLJSA-N 1 3 194.322 1.184 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1(C)CC1 306805474 409593225 /nfs/dbraw/zinc/59/32/25/409593225.db2.gz AMVUOBNFJSRMRS-NXEZZACHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1(C)CC1 306805474 409593227 /nfs/dbraw/zinc/59/32/27/409593227.db2.gz AMVUOBNFJSRMRS-NXEZZACHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1(C)CC1 306805482 409593444 /nfs/dbraw/zinc/59/34/44/409593444.db2.gz AMVUOBNFJSRMRS-ZJUUUORDSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1(C)CC1 306805482 409593448 /nfs/dbraw/zinc/59/34/48/409593448.db2.gz AMVUOBNFJSRMRS-ZJUUUORDSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1(C)CC1 306805477 409594023 /nfs/dbraw/zinc/59/40/23/409594023.db2.gz AMVUOBNFJSRMRS-UWVGGRQHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1(C)CC1 306805477 409594030 /nfs/dbraw/zinc/59/40/30/409594030.db2.gz AMVUOBNFJSRMRS-UWVGGRQHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1(C)CC1 306805480 409595159 /nfs/dbraw/zinc/59/51/59/409595159.db2.gz AMVUOBNFJSRMRS-VHSXEESVSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@H+]1CC1(C)CC1 306805480 409595169 /nfs/dbraw/zinc/59/51/69/409595169.db2.gz AMVUOBNFJSRMRS-VHSXEESVSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H]1C[C@@H](C)[C@H](CN)C[N@H+]1CC1CC1 306876544 409597221 /nfs/dbraw/zinc/59/72/21/409597221.db2.gz CVPILKQHKFNXRG-JFGNBEQYSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H]1C[C@@H](C)[C@H](CN)C[N@@H+]1CC1CC1 306876544 409597228 /nfs/dbraw/zinc/59/72/28/409597228.db2.gz CVPILKQHKFNXRG-JFGNBEQYSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H]1C[C@@H](C)[C@@H](CN)C[N@H+]1CC1CC1 306876545 409597275 /nfs/dbraw/zinc/59/72/75/409597275.db2.gz CVPILKQHKFNXRG-SCVCMEIPSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H]1C[C@@H](C)[C@@H](CN)C[N@@H+]1CC1CC1 306876545 409597280 /nfs/dbraw/zinc/59/72/80/409597280.db2.gz CVPILKQHKFNXRG-SCVCMEIPSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@@H]1C[C@@H](C)[N@H+](CC2CC2)C[C@H]1CN 306876542 409597560 /nfs/dbraw/zinc/59/75/60/409597560.db2.gz CVPILKQHKFNXRG-CKYFFXLPSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CC2)C[C@H]1CN 306876542 409597568 /nfs/dbraw/zinc/59/75/68/409597568.db2.gz CVPILKQHKFNXRG-CKYFFXLPSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CC2)C[C@@H]1CN 306876543 409598045 /nfs/dbraw/zinc/59/80/45/409598045.db2.gz CVPILKQHKFNXRG-FOGDFJRCSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@@H]1C[C@@H](C)[N@H+](CC2CC2)C[C@@H]1CN 306876543 409598037 /nfs/dbraw/zinc/59/80/37/409598037.db2.gz CVPILKQHKFNXRG-FOGDFJRCSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 307046849 409607990 /nfs/dbraw/zinc/60/79/90/409607990.db2.gz YVKVSFLSKAOSQU-OUAUKWLOSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1CC[C@@H](C)[N@@H+]1C[C@H]1CCCNC1 307013848 409608992 /nfs/dbraw/zinc/60/89/92/409608992.db2.gz MGTLIXFJRUPRPM-TUAOUCFPSA-N 1 3 196.338 1.859 20 0 ADADHO C[C@H]1CC[C@@H](C)[N@H+]1C[C@H]1CCCNC1 307013848 409608999 /nfs/dbraw/zinc/60/89/99/409608999.db2.gz MGTLIXFJRUPRPM-TUAOUCFPSA-N 1 3 196.338 1.859 20 0 ADADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 307046850 409609715 /nfs/dbraw/zinc/60/97/15/409609715.db2.gz YVKVSFLSKAOSQU-VWYCJHECSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCC1(C)C 307060693 409613173 /nfs/dbraw/zinc/61/31/73/409613173.db2.gz JYLOMFXBYHEZAC-AXFHLTTASA-N 1 3 196.338 1.905 20 0 ADADHO CCN1CCC[C@]2(CC[N@H+](C)C2)C1 660659109 409613376 /nfs/dbraw/zinc/61/33/76/409613376.db2.gz NGIWDEYZVGWIGW-LLVKDONJSA-N 1 3 182.311 1.424 20 0 ADADHO CCN1CCC[C@]2(CC[N@@H+](C)C2)C1 660659109 409613380 /nfs/dbraw/zinc/61/33/80/409613380.db2.gz NGIWDEYZVGWIGW-LLVKDONJSA-N 1 3 182.311 1.424 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCC1(C)C 307060696 409613628 /nfs/dbraw/zinc/61/36/28/409613628.db2.gz JYLOMFXBYHEZAC-HBNTYKKESA-N 1 3 196.338 1.905 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC1(C)C 307060695 409613941 /nfs/dbraw/zinc/61/39/41/409613941.db2.gz JYLOMFXBYHEZAC-GARJFASQSA-N 1 3 196.338 1.905 20 0 ADADHO CCN1CCC[C@@]2(CC[N@H+](C)C2)C1 660659110 409614112 /nfs/dbraw/zinc/61/41/12/409614112.db2.gz NGIWDEYZVGWIGW-NSHDSACASA-N 1 3 182.311 1.424 20 0 ADADHO CCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 660659110 409614118 /nfs/dbraw/zinc/61/41/18/409614118.db2.gz NGIWDEYZVGWIGW-NSHDSACASA-N 1 3 182.311 1.424 20 0 ADADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC1(C)C 307060694 409614164 /nfs/dbraw/zinc/61/41/64/409614164.db2.gz JYLOMFXBYHEZAC-DCAQKATOSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](N)[C@H]1CCC[N@H+](CC2(C)CC2)C1 307104076 409615963 /nfs/dbraw/zinc/61/59/63/409615963.db2.gz CDPJEQFOLZXNOT-QWRGUYRKSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2(C)CC2)C1 307104076 409615968 /nfs/dbraw/zinc/61/59/68/409615968.db2.gz CDPJEQFOLZXNOT-QWRGUYRKSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]([NH3+])[C@H]1CCCN(CC2(C)CC2)C1 307104076 409615978 /nfs/dbraw/zinc/61/59/78/409615978.db2.gz CDPJEQFOLZXNOT-QWRGUYRKSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2(C)CC2)C1 307104077 409616495 /nfs/dbraw/zinc/61/64/95/409616495.db2.gz CDPJEQFOLZXNOT-WDEREUQCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 307104077 409616500 /nfs/dbraw/zinc/61/65/00/409616500.db2.gz CDPJEQFOLZXNOT-WDEREUQCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]([NH3+])[C@@H]1CCCN(CC2(C)CC2)C1 307104077 409616507 /nfs/dbraw/zinc/61/65/07/409616507.db2.gz CDPJEQFOLZXNOT-WDEREUQCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2(C)CC2)C1 307104075 409617068 /nfs/dbraw/zinc/61/70/68/409617068.db2.gz CDPJEQFOLZXNOT-MNOVXSKESA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2(C)CC2)C1 307104075 409617073 /nfs/dbraw/zinc/61/70/73/409617073.db2.gz CDPJEQFOLZXNOT-MNOVXSKESA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]([NH3+])[C@H]1CCCN(CC2(C)CC2)C1 307104075 409617078 /nfs/dbraw/zinc/61/70/78/409617078.db2.gz CDPJEQFOLZXNOT-MNOVXSKESA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@]1(C)CCN(C[C@@H]2CC[NH2+]C2)C1 307121668 409617192 /nfs/dbraw/zinc/61/71/92/409617192.db2.gz JUKZGAFEEFPEQL-NEPJUHHUSA-N 1 3 196.338 1.718 20 0 ADADHO CC[C@]1(C)CCN(C[C@@H]2CC[NH2+]C2)C1 307121671 409617209 /nfs/dbraw/zinc/61/72/09/409617209.db2.gz JUKZGAFEEFPEQL-VXGBXAGGSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2(C)CC2)C1 307104074 409617769 /nfs/dbraw/zinc/61/77/69/409617769.db2.gz CDPJEQFOLZXNOT-GHMZBOCLSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 307104074 409617773 /nfs/dbraw/zinc/61/77/73/409617773.db2.gz CDPJEQFOLZXNOT-GHMZBOCLSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]([NH3+])[C@@H]1CCCN(CC2(C)CC2)C1 307104074 409617778 /nfs/dbraw/zinc/61/77/78/409617778.db2.gz CDPJEQFOLZXNOT-GHMZBOCLSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@]1(C)CCN(C[C@H]2CC[NH2+]C2)C1 307121669 409617898 /nfs/dbraw/zinc/61/78/98/409617898.db2.gz JUKZGAFEEFPEQL-NWDGAFQWSA-N 1 3 196.338 1.718 20 0 ADADHO NC[C@]12CCC[C@H]1C[N@H+](CC1CC1)C2 307096083 409617943 /nfs/dbraw/zinc/61/79/43/409617943.db2.gz PCOYEUCKFMUQOE-RYUDHWBXSA-N 1 3 194.322 1.457 20 0 ADADHO NC[C@]12CCC[C@H]1C[N@@H+](CC1CC1)C2 307096083 409617950 /nfs/dbraw/zinc/61/79/50/409617950.db2.gz PCOYEUCKFMUQOE-RYUDHWBXSA-N 1 3 194.322 1.457 20 0 ADADHO CC[C@@]1(C)CCN(C[C@H]2CC[NH2+]C2)C1 307121670 409618053 /nfs/dbraw/zinc/61/80/53/409618053.db2.gz JUKZGAFEEFPEQL-RYUDHWBXSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2C[C@H]2C)C1 307130612 409619938 /nfs/dbraw/zinc/61/99/38/409619938.db2.gz KNSLTGRNYFHDOG-WRWGMCAJSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2C)C1 307130612 409619944 /nfs/dbraw/zinc/61/99/44/409619944.db2.gz KNSLTGRNYFHDOG-WRWGMCAJSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([C@H](C)N)C1 307130609 409621552 /nfs/dbraw/zinc/62/15/52/409621552.db2.gz KNSLTGRNYFHDOG-NNYUYHANSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]([C@H](C)N)C1 307130609 409621555 /nfs/dbraw/zinc/62/15/55/409621555.db2.gz KNSLTGRNYFHDOG-NNYUYHANSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2C)C1 307130615 409622061 /nfs/dbraw/zinc/62/20/61/409622061.db2.gz KNSLTGRNYFHDOG-YFKTTZPYSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2C)C1 307130615 409622067 /nfs/dbraw/zinc/62/20/67/409622067.db2.gz KNSLTGRNYFHDOG-YFKTTZPYSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2C)C1 307130606 409622637 /nfs/dbraw/zinc/62/26/37/409622637.db2.gz KNSLTGRNYFHDOG-KXNHARMFSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C)C1 307130606 409622641 /nfs/dbraw/zinc/62/26/41/409622641.db2.gz KNSLTGRNYFHDOG-KXNHARMFSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H]1[C@H](C)CC[N@@H+]1C[C@@H]1CCCNC1 307245123 409628618 /nfs/dbraw/zinc/62/86/18/409628618.db2.gz VNGMODWYEXXUOC-GRYCIOLGSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H]1[C@H](C)CC[N@H+]1C[C@@H]1CCCNC1 307245123 409628627 /nfs/dbraw/zinc/62/86/27/409628627.db2.gz VNGMODWYEXXUOC-GRYCIOLGSA-N 1 3 196.338 1.716 20 0 ADADHO CC[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)CC[C@@H]1N 307268451 409629114 /nfs/dbraw/zinc/62/91/14/409629114.db2.gz FVIPHFOOXXRQEU-WYUUTHIRSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)CC[C@@H]1N 307268451 409629120 /nfs/dbraw/zinc/62/91/20/409629120.db2.gz FVIPHFOOXXRQEU-WYUUTHIRSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1CN(C[C@@H]2C[C@H]2C)CC[C@@H]1[NH3+] 307268451 409629126 /nfs/dbraw/zinc/62/91/26/409629126.db2.gz FVIPHFOOXXRQEU-WYUUTHIRSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H](N[C@@H]1CC1(C)C)[C@H]1CC[NH2+]C1 307231996 409630370 /nfs/dbraw/zinc/63/03/70/409630370.db2.gz CCHUULLXBBSZRG-LPEHRKFASA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H](N[C@H]1CC1(C)C)[C@@H]1CC[NH2+]C1 307231989 409630412 /nfs/dbraw/zinc/63/04/12/409630412.db2.gz CCHUULLXBBSZRG-AEJSXWLSSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H](N[C@@H]1CC1(C)C)[C@@H]1CC[NH2+]C1 307231994 409630421 /nfs/dbraw/zinc/63/04/21/409630421.db2.gz CCHUULLXBBSZRG-IVZWLZJFSA-N 1 3 182.311 1.373 20 0 ADADHO CC[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)CC[C@H]1N 307268450 409630808 /nfs/dbraw/zinc/63/08/08/409630808.db2.gz FVIPHFOOXXRQEU-WISYIIOYSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)CC[C@H]1N 307268450 409630811 /nfs/dbraw/zinc/63/08/11/409630811.db2.gz FVIPHFOOXXRQEU-WISYIIOYSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1CN(C[C@@H]2C[C@H]2C)CC[C@H]1[NH3+] 307268450 409630815 /nfs/dbraw/zinc/63/08/15/409630815.db2.gz FVIPHFOOXXRQEU-WISYIIOYSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)CC[C@@H]1N 307268448 409630853 /nfs/dbraw/zinc/63/08/53/409630853.db2.gz FVIPHFOOXXRQEU-USZNOCQGSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C)CC[C@@H]1N 307268448 409630857 /nfs/dbraw/zinc/63/08/57/409630857.db2.gz FVIPHFOOXXRQEU-USZNOCQGSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1CN(C[C@@H]2C[C@@H]2C)CC[C@@H]1[NH3+] 307268448 409630860 /nfs/dbraw/zinc/63/08/60/409630860.db2.gz FVIPHFOOXXRQEU-USZNOCQGSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)[C@@H]1C 307245124 409630954 /nfs/dbraw/zinc/63/09/54/409630954.db2.gz VNGMODWYEXXUOC-IJLUTSLNSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)[C@@H]1C 307245124 409630958 /nfs/dbraw/zinc/63/09/58/409630958.db2.gz VNGMODWYEXXUOC-IJLUTSLNSA-N 1 3 196.338 1.716 20 0 ADADHO CC[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)CC[C@H]1N 307268449 409631093 /nfs/dbraw/zinc/63/10/93/409631093.db2.gz FVIPHFOOXXRQEU-WHOHXGKFSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C)CC[C@H]1N 307268449 409631094 /nfs/dbraw/zinc/63/10/94/409631094.db2.gz FVIPHFOOXXRQEU-WHOHXGKFSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1CN(C[C@@H]2C[C@@H]2C)CC[C@H]1[NH3+] 307268449 409631100 /nfs/dbraw/zinc/63/11/00/409631100.db2.gz FVIPHFOOXXRQEU-WHOHXGKFSA-N 1 3 196.338 1.702 20 0 ADADHO C[C@H](N[C@H]1CC1(C)C)[C@H]1CC[NH2+]C1 307231992 409631129 /nfs/dbraw/zinc/63/11/29/409631129.db2.gz CCHUULLXBBSZRG-GUBZILKMSA-N 1 3 182.311 1.373 20 0 ADADHO CC1([NH3+])CCN(CC2CCCC2)CC1 307292522 409632395 /nfs/dbraw/zinc/63/23/95/409632395.db2.gz BPQZHCBYJMDZGV-UHFFFAOYSA-N 1 3 196.338 1.990 20 0 ADADHO CC1(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 307287857 409632184 /nfs/dbraw/zinc/63/21/84/409632184.db2.gz VYZXEODQVMLALZ-GHMZBOCLSA-N 1 3 194.322 1.470 20 0 ADADHO CC1(N)CC[NH+](CC2CCCC2)CC1 307292522 409632388 /nfs/dbraw/zinc/63/23/88/409632388.db2.gz BPQZHCBYJMDZGV-UHFFFAOYSA-N 1 3 196.338 1.990 20 0 ADADHO CC1(CN2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 307287860 409632680 /nfs/dbraw/zinc/63/26/80/409632680.db2.gz VYZXEODQVMLALZ-WDEREUQCSA-N 1 3 194.322 1.470 20 0 ADADHO CC1(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 307287859 409633253 /nfs/dbraw/zinc/63/32/53/409633253.db2.gz VYZXEODQVMLALZ-QWRGUYRKSA-N 1 3 194.322 1.470 20 0 ADADHO CC1(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 307287858 409633555 /nfs/dbraw/zinc/63/35/55/409633555.db2.gz VYZXEODQVMLALZ-MNOVXSKESA-N 1 3 194.322 1.470 20 0 ADADHO C[C@@H]1C[C@@H]1CN1CC[C@@]2(CC[NH2+]C2)C1 307317168 409634765 /nfs/dbraw/zinc/63/47/65/409634765.db2.gz KGRDTLWQDODZER-IJLUTSLNSA-N 1 3 194.322 1.328 20 0 ADADHO C[C@@H]1C[C@@H]1CN1CC[C@]2(CC[NH2+]C2)C1 307317169 409634825 /nfs/dbraw/zinc/63/48/25/409634825.db2.gz KGRDTLWQDODZER-UTUOFQBUSA-N 1 3 194.322 1.328 20 0 ADADHO CC1(CN2CC[C@@]3(CC[NH2+]C3)C2)CC1 307330755 409635076 /nfs/dbraw/zinc/63/50/76/409635076.db2.gz YICBYZNASSGWKR-GFCCVEGCSA-N 1 3 194.322 1.472 20 0 ADADHO C[C@@H](N)[C@H]1CC[N@H+](CC2(C)CC2)C1 307317768 409635239 /nfs/dbraw/zinc/63/52/39/409635239.db2.gz PEGPVKLGMDIRKH-ZJUUUORDSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H](N)[C@H]1CC[N@@H+](CC2(C)CC2)C1 307317768 409635242 /nfs/dbraw/zinc/63/52/42/409635242.db2.gz PEGPVKLGMDIRKH-ZJUUUORDSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](N)[C@@H]1CC[N@H+](CC2(C)CC2)C1 307317767 409635290 /nfs/dbraw/zinc/63/52/90/409635290.db2.gz PEGPVKLGMDIRKH-VHSXEESVSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](N)[C@@H]1CC[N@@H+](CC2(C)CC2)C1 307317767 409635293 /nfs/dbraw/zinc/63/52/93/409635293.db2.gz PEGPVKLGMDIRKH-VHSXEESVSA-N 1 3 182.311 1.456 20 0 ADADHO CC1(CN2CC[C@]3(CC[NH2+]C3)C2)CC1 307330756 409636131 /nfs/dbraw/zinc/63/61/31/409636131.db2.gz YICBYZNASSGWKR-LBPRGKRZSA-N 1 3 194.322 1.472 20 0 ADADHO C[C@@H]1C[C@H]1CN1CC[C@@]2(CC[NH2+]C2)C1 307317167 409635834 /nfs/dbraw/zinc/63/58/34/409635834.db2.gz KGRDTLWQDODZER-GRYCIOLGSA-N 1 3 194.322 1.328 20 0 ADADHO C[C@@H](N)[C@@H]1CC[N@H+](CC2(C)CC2)C1 307317765 409635887 /nfs/dbraw/zinc/63/58/87/409635887.db2.gz PEGPVKLGMDIRKH-NXEZZACHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H](N)[C@@H]1CC[N@@H+](CC2(C)CC2)C1 307317765 409635892 /nfs/dbraw/zinc/63/58/92/409635892.db2.gz PEGPVKLGMDIRKH-NXEZZACHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[C@H]1CN1CC[C@]2(CC[NH2+]C2)C1 307317170 409636003 /nfs/dbraw/zinc/63/60/03/409636003.db2.gz KGRDTLWQDODZER-WOPDTQHZSA-N 1 3 194.322 1.328 20 0 ADADHO C[C@H](N)[C@H]1CC[N@H+](CC2(C)CC2)C1 307317766 409636160 /nfs/dbraw/zinc/63/61/60/409636160.db2.gz PEGPVKLGMDIRKH-UWVGGRQHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@H](N)[C@H]1CC[N@@H+](CC2(C)CC2)C1 307317766 409636166 /nfs/dbraw/zinc/63/61/66/409636166.db2.gz PEGPVKLGMDIRKH-UWVGGRQHSA-N 1 3 182.311 1.456 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](CN)C[C@H]1C 307358949 409638069 /nfs/dbraw/zinc/63/80/69/409638069.db2.gz ZWIGGYXGCABFPN-GWOFURMSSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](CN)C[C@H]1C 307358949 409638075 /nfs/dbraw/zinc/63/80/75/409638075.db2.gz ZWIGGYXGCABFPN-GWOFURMSSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@H+]1C[C@H]1C[C@H]1C 307358951 409638137 /nfs/dbraw/zinc/63/81/37/409638137.db2.gz ZWIGGYXGCABFPN-VPOLOUISSA-N 1 3 182.311 1.312 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1C[C@H]1C 307358951 409638145 /nfs/dbraw/zinc/63/81/45/409638145.db2.gz ZWIGGYXGCABFPN-VPOLOUISSA-N 1 3 182.311 1.312 20 0 ADADHO CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 307363126 409638182 /nfs/dbraw/zinc/63/81/82/409638182.db2.gz HFDMQTMUIJNQPH-SRVKXCTJSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 307363126 409638189 /nfs/dbraw/zinc/63/81/89/409638189.db2.gz HFDMQTMUIJNQPH-SRVKXCTJSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1CCCNC1 307367393 409638766 /nfs/dbraw/zinc/63/87/66/409638766.db2.gz MGTLIXFJRUPRPM-UTUOFQBUSA-N 1 3 196.338 1.859 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@H+]1C[C@H]1C[C@H]1C 307358950 409639014 /nfs/dbraw/zinc/63/90/14/409639014.db2.gz ZWIGGYXGCABFPN-LMLFDSFASA-N 1 3 182.311 1.312 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@@H+]1C[C@H]1C[C@H]1C 307358950 409639020 /nfs/dbraw/zinc/63/90/20/409639020.db2.gz ZWIGGYXGCABFPN-LMLFDSFASA-N 1 3 182.311 1.312 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@H+]1C[C@H](CN)C[C@H]1C 307358948 409639138 /nfs/dbraw/zinc/63/91/38/409639138.db2.gz ZWIGGYXGCABFPN-CHWFTXMASA-N 1 3 182.311 1.312 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H](CN)C[C@H]1C 307358948 409639132 /nfs/dbraw/zinc/63/91/32/409639132.db2.gz ZWIGGYXGCABFPN-CHWFTXMASA-N 1 3 182.311 1.312 20 0 ADADHO CC(C)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307468792 409647379 /nfs/dbraw/zinc/64/73/79/409647379.db2.gz NITPRJJLCKGMQW-SRVKXCTJSA-N 1 3 198.354 1.948 20 0 ADADHO CC(C)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307468792 409647390 /nfs/dbraw/zinc/64/73/90/409647390.db2.gz NITPRJJLCKGMQW-SRVKXCTJSA-N 1 3 198.354 1.948 20 0 ADADHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CN 307478028 409647449 /nfs/dbraw/zinc/64/74/49/409647449.db2.gz MXUYVXSJIUNTDM-MXWKQRLJSA-N 1 3 196.338 1.892 20 0 ADADHO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN 307478029 409647467 /nfs/dbraw/zinc/64/74/67/409647467.db2.gz MXUYVXSJIUNTDM-VWYCJHECSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)C[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 307468796 409648117 /nfs/dbraw/zinc/64/81/17/409648117.db2.gz NITPRJJLCKGMQW-UTUOFQBUSA-N 1 3 198.354 1.948 20 0 ADADHO CC(C)C[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 307468796 409648119 /nfs/dbraw/zinc/64/81/19/409648119.db2.gz NITPRJJLCKGMQW-UTUOFQBUSA-N 1 3 198.354 1.948 20 0 ADADHO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CN 307478027 409648209 /nfs/dbraw/zinc/64/82/09/409648209.db2.gz MXUYVXSJIUNTDM-DCAQKATOSA-N 1 3 196.338 1.892 20 0 ADADHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN 307478026 409648297 /nfs/dbraw/zinc/64/82/97/409648297.db2.gz MXUYVXSJIUNTDM-AXFHLTTASA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307468793 409648402 /nfs/dbraw/zinc/64/84/02/409648402.db2.gz NITPRJJLCKGMQW-TUAOUCFPSA-N 1 3 198.354 1.948 20 0 ADADHO CC(C)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307468793 409648407 /nfs/dbraw/zinc/64/84/07/409648407.db2.gz NITPRJJLCKGMQW-TUAOUCFPSA-N 1 3 198.354 1.948 20 0 ADADHO CC(C)C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 307468975 409649495 /nfs/dbraw/zinc/64/94/95/409649495.db2.gz NITPRJJLCKGMQW-WOPDTQHZSA-N 1 3 198.354 1.948 20 0 ADADHO CC(C)C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 307468975 409649502 /nfs/dbraw/zinc/64/95/02/409649502.db2.gz NITPRJJLCKGMQW-WOPDTQHZSA-N 1 3 198.354 1.948 20 0 ADADHO CC1(CN2CC[C@](C)(C[NH3+])C2)CC1 307621782 409657797 /nfs/dbraw/zinc/65/77/97/409657797.db2.gz GGTZBWGHOVANMA-LLVKDONJSA-N 1 3 182.311 1.457 20 0 ADADHO CC1(CN2CC[C@@](C)(C[NH3+])C2)CC1 307621786 409658793 /nfs/dbraw/zinc/65/87/93/409658793.db2.gz GGTZBWGHOVANMA-NSHDSACASA-N 1 3 182.311 1.457 20 0 ADADHO CNCCC[N@@H+]1CC[C@H](CC(C)C)C1 307842140 409672615 /nfs/dbraw/zinc/67/26/15/409672615.db2.gz UOAHRKLWZDBTNF-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CNCCC[N@H+]1CC[C@H](CC(C)C)C1 307842140 409672619 /nfs/dbraw/zinc/67/26/19/409672619.db2.gz UOAHRKLWZDBTNF-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO C[NH2+]CCCN1CC[C@H](CC(C)C)C1 307842140 409672620 /nfs/dbraw/zinc/67/26/20/409672620.db2.gz UOAHRKLWZDBTNF-GFCCVEGCSA-N 1 3 198.354 1.964 20 0 ADADHO CC(C)[C@H](C)[NH2+]C[C@H](C)CN 307912872 409672982 /nfs/dbraw/zinc/67/29/82/409672982.db2.gz YONYPEPWZBTLJG-BDAKNGLRSA-N 1 3 158.289 1.215 20 0 ADADHO CC(C)[C@@H](C)[NH2+]C[C@@H](C)CN 307912873 409673907 /nfs/dbraw/zinc/67/39/07/409673907.db2.gz YONYPEPWZBTLJG-DTWKUNHWSA-N 1 3 158.289 1.215 20 0 ADADHO CC(C)[C@@H](C)[NH2+]C[C@H](C)CN 307912875 409674069 /nfs/dbraw/zinc/67/40/69/409674069.db2.gz YONYPEPWZBTLJG-RKDXNWHRSA-N 1 3 158.289 1.215 20 0 ADADHO CC(C)[C@H](C)[NH2+]C[C@@H](C)CN 307912874 409674393 /nfs/dbraw/zinc/67/43/93/409674393.db2.gz YONYPEPWZBTLJG-IUCAKERBSA-N 1 3 158.289 1.215 20 0 ADADHO CNCCC[N@@H+]1CC[C@@H](CC(C)C)C1 307842141 409674543 /nfs/dbraw/zinc/67/45/43/409674543.db2.gz UOAHRKLWZDBTNF-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CNCCC[N@H+]1CC[C@@H](CC(C)C)C1 307842141 409674550 /nfs/dbraw/zinc/67/45/50/409674550.db2.gz UOAHRKLWZDBTNF-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO C[NH2+]CCCN1CC[C@@H](CC(C)C)C1 307842141 409674555 /nfs/dbraw/zinc/67/45/55/409674555.db2.gz UOAHRKLWZDBTNF-LBPRGKRZSA-N 1 3 198.354 1.964 20 0 ADADHO CC[C@H]([NH3+])CN[C@H]1CCC1(C)C 308001726 409676055 /nfs/dbraw/zinc/67/60/55/409676055.db2.gz BGRGFECMGIVFBC-IUCAKERBSA-N 1 3 170.300 1.502 20 0 ADADHO CC[C@H]([NH3+])CN[C@@H]1CCC1(C)C 308001722 409677429 /nfs/dbraw/zinc/67/74/29/409677429.db2.gz BGRGFECMGIVFBC-DTWKUNHWSA-N 1 3 170.300 1.502 20 0 ADADHO CC[C@@H]([NH3+])CN[C@H]1CCC1(C)C 308001718 409677761 /nfs/dbraw/zinc/67/77/61/409677761.db2.gz BGRGFECMGIVFBC-BDAKNGLRSA-N 1 3 170.300 1.502 20 0 ADADHO CC[C@@H]([NH3+])CN[C@@H]1CCC1(C)C 308001729 409677977 /nfs/dbraw/zinc/67/79/77/409677977.db2.gz BGRGFECMGIVFBC-RKDXNWHRSA-N 1 3 170.300 1.502 20 0 ADADHO C[C@H](CN)C[NH2+][C@@H]1CCC1(C)C 308058109 409680032 /nfs/dbraw/zinc/68/00/32/409680032.db2.gz VHSUUMOBMQDIHN-RKDXNWHRSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@H](CN)C[NH2+][C@H]1CCC1(C)C 308058106 409680104 /nfs/dbraw/zinc/68/01/04/409680104.db2.gz VHSUUMOBMQDIHN-BDAKNGLRSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H]1CCC1(C)C 308058108 409680982 /nfs/dbraw/zinc/68/09/82/409680982.db2.gz VHSUUMOBMQDIHN-IUCAKERBSA-N 1 3 170.300 1.359 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H]1CCC1(C)C 308058107 409681712 /nfs/dbraw/zinc/68/17/12/409681712.db2.gz VHSUUMOBMQDIHN-DTWKUNHWSA-N 1 3 170.300 1.359 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN 308128034 409682598 /nfs/dbraw/zinc/68/25/98/409682598.db2.gz WDCGLPRYTVILOA-KXUCPTDWSA-N 1 3 172.316 1.605 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN 308128033 409683116 /nfs/dbraw/zinc/68/31/16/409683116.db2.gz WDCGLPRYTVILOA-GUBZILKMSA-N 1 3 172.316 1.605 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)CN 308128036 409684107 /nfs/dbraw/zinc/68/41/07/409684107.db2.gz WDCGLPRYTVILOA-UTLUCORTSA-N 1 3 172.316 1.605 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN 308128035 409684602 /nfs/dbraw/zinc/68/46/02/409684602.db2.gz WDCGLPRYTVILOA-LPEHRKFASA-N 1 3 172.316 1.605 20 0 ADADHO [NH3+]C[C@@H]1CCN(CCCCCF)C1 308150310 409687018 /nfs/dbraw/zinc/68/70/18/409687018.db2.gz QNALQJXXYZLHFP-JTQLQIEISA-N 1 3 188.290 1.407 20 0 ADADHO NC[C@@H]1CC[N@H+](CCCCCF)C1 308150310 409687032 /nfs/dbraw/zinc/68/70/32/409687032.db2.gz QNALQJXXYZLHFP-JTQLQIEISA-N 1 3 188.290 1.407 20 0 ADADHO NC[C@@H]1CC[N@@H+](CCCCCF)C1 308150310 409687039 /nfs/dbraw/zinc/68/70/39/409687039.db2.gz QNALQJXXYZLHFP-JTQLQIEISA-N 1 3 188.290 1.407 20 0 ADADHO CC(C)[C@H]([NH3+])CN[C@@H]1CCC1(C)C 308137516 409687726 /nfs/dbraw/zinc/68/77/26/409687726.db2.gz JFVSLSGTXHKGEA-NXEZZACHSA-N 1 3 184.327 1.748 20 0 ADADHO [NH3+]C[C@H]1CCN(CCCCCF)C1 308150311 409688367 /nfs/dbraw/zinc/68/83/67/409688367.db2.gz QNALQJXXYZLHFP-SNVBAGLBSA-N 1 3 188.290 1.407 20 0 ADADHO NC[C@H]1CC[N@H+](CCCCCF)C1 308150311 409688377 /nfs/dbraw/zinc/68/83/77/409688377.db2.gz QNALQJXXYZLHFP-SNVBAGLBSA-N 1 3 188.290 1.407 20 0 ADADHO NC[C@H]1CC[N@@H+](CCCCCF)C1 308150311 409688383 /nfs/dbraw/zinc/68/83/83/409688383.db2.gz QNALQJXXYZLHFP-SNVBAGLBSA-N 1 3 188.290 1.407 20 0 ADADHO CC(C)[C@H]([NH3+])CN[C@H]1CCC1(C)C 308137520 409689481 /nfs/dbraw/zinc/68/94/81/409689481.db2.gz JFVSLSGTXHKGEA-ZJUUUORDSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@H](C[N@H+](C)CCCN)C(C)(C)C 308167774 409691943 /nfs/dbraw/zinc/69/19/43/409691943.db2.gz BKJDDNMZOQNORG-SNVBAGLBSA-N 1 3 186.343 1.949 20 0 ADADHO C[C@H](C[N@@H+](C)CCCN)C(C)(C)C 308167774 409691952 /nfs/dbraw/zinc/69/19/52/409691952.db2.gz BKJDDNMZOQNORG-SNVBAGLBSA-N 1 3 186.343 1.949 20 0 ADADHO C[C@H](CN(C)CCC[NH3+])C(C)(C)C 308167774 409691957 /nfs/dbraw/zinc/69/19/57/409691957.db2.gz BKJDDNMZOQNORG-SNVBAGLBSA-N 1 3 186.343 1.949 20 0 ADADHO C[C@@H](C[N@H+](C)CCCN)C(C)(C)C 308167771 409692816 /nfs/dbraw/zinc/69/28/16/409692816.db2.gz BKJDDNMZOQNORG-JTQLQIEISA-N 1 3 186.343 1.949 20 0 ADADHO C[C@@H](C[N@@H+](C)CCCN)C(C)(C)C 308167771 409692822 /nfs/dbraw/zinc/69/28/22/409692822.db2.gz BKJDDNMZOQNORG-JTQLQIEISA-N 1 3 186.343 1.949 20 0 ADADHO C[C@@H](CN(C)CCC[NH3+])C(C)(C)C 308167771 409692832 /nfs/dbraw/zinc/69/28/32/409692832.db2.gz BKJDDNMZOQNORG-JTQLQIEISA-N 1 3 186.343 1.949 20 0 ADADHO FCCCCC[N@H+]1CCCNCC1 308186094 409693610 /nfs/dbraw/zinc/69/36/10/409693610.db2.gz JUUJRSYRJIGXMI-UHFFFAOYSA-N 1 3 188.290 1.422 20 0 ADADHO FCCCCC[N@@H+]1CCCNCC1 308186094 409693604 /nfs/dbraw/zinc/69/36/04/409693604.db2.gz JUUJRSYRJIGXMI-UHFFFAOYSA-N 1 3 188.290 1.422 20 0 ADADHO C[C@H]1C[N@H+](CC2CC=CC2)CC[C@H]1N 662242520 409701656 /nfs/dbraw/zinc/70/16/56/409701656.db2.gz ATADDWFHWVRLSY-CMPLNLGQSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@@H](C[NH2+]CC1(C)CC1)CN(C)C 308202786 409696384 /nfs/dbraw/zinc/69/63/84/409696384.db2.gz AMOGJUCGODWUCH-JTQLQIEISA-N 1 3 184.327 1.574 20 0 ADADHO C[C@H](C[NH2+]CC1(C)CC1)CN(C)C 308202790 409696764 /nfs/dbraw/zinc/69/67/64/409696764.db2.gz AMOGJUCGODWUCH-SNVBAGLBSA-N 1 3 184.327 1.574 20 0 ADADHO [NH3+]C1CCN(CCCC2CCC2)CC1 662239656 409702836 /nfs/dbraw/zinc/70/28/36/409702836.db2.gz DWAGJZUPDDYLAX-UHFFFAOYSA-N 1 3 196.338 1.990 20 0 ADADHO C[C@H]1C[N@H+](CC2CC=CC2)CC[C@@H]1N 662242521 409700409 /nfs/dbraw/zinc/70/04/09/409700409.db2.gz ATADDWFHWVRLSY-JQWIXIFHSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1N 662242521 409700415 /nfs/dbraw/zinc/70/04/15/409700415.db2.gz ATADDWFHWVRLSY-JQWIXIFHSA-N 1 3 194.322 1.622 20 0 ADADHO C[N@H+](CCCN)CCCC1CCC1 662246193 409700915 /nfs/dbraw/zinc/70/09/15/409700915.db2.gz PKAQHDWZYNBVMS-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO C[N@@H+](CCCN)CCCC1CCC1 662246193 409700924 /nfs/dbraw/zinc/70/09/24/409700924.db2.gz PKAQHDWZYNBVMS-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO CN(CCC[NH3+])CCCC1CCC1 662246193 409700933 /nfs/dbraw/zinc/70/09/33/409700933.db2.gz PKAQHDWZYNBVMS-UHFFFAOYSA-N 1 3 184.327 1.847 20 0 ADADHO C[NH2+]C[C@H]1CCN(CCC=C(C)C)C1 662244660 409701176 /nfs/dbraw/zinc/70/11/76/409701176.db2.gz FCYPXTSTUFJAQK-GFCCVEGCSA-N 1 3 196.338 1.884 20 0 ADADHO N[C@H]1CCC[N@H+](CCCC2CCC2)C1 662233584 409701456 /nfs/dbraw/zinc/70/14/56/409701456.db2.gz HIDQJZTXUPNWHF-LBPRGKRZSA-N 1 3 196.338 1.990 20 0 ADADHO N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 662233584 409701461 /nfs/dbraw/zinc/70/14/61/409701461.db2.gz HIDQJZTXUPNWHF-LBPRGKRZSA-N 1 3 196.338 1.990 20 0 ADADHO C[C@@H]1C[N@H+](CC2CC=CC2)CC[C@H]1N 662242523 409701537 /nfs/dbraw/zinc/70/15/37/409701537.db2.gz ATADDWFHWVRLSY-ZYHUDNBSSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1N 662242523 409701545 /nfs/dbraw/zinc/70/15/45/409701545.db2.gz ATADDWFHWVRLSY-ZYHUDNBSSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1N 662242520 409701663 /nfs/dbraw/zinc/70/16/63/409701663.db2.gz ATADDWFHWVRLSY-CMPLNLGQSA-N 1 3 194.322 1.622 20 0 ADADHO C[NH2+]C[C@@H]1CCN(CCC=C(C)C)C1 662244661 409701786 /nfs/dbraw/zinc/70/17/86/409701786.db2.gz FCYPXTSTUFJAQK-LBPRGKRZSA-N 1 3 196.338 1.884 20 0 ADADHO N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 662233582 409702230 /nfs/dbraw/zinc/70/22/30/409702230.db2.gz HIDQJZTXUPNWHF-GFCCVEGCSA-N 1 3 196.338 1.990 20 0 ADADHO N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 662233582 409702239 /nfs/dbraw/zinc/70/22/39/409702239.db2.gz HIDQJZTXUPNWHF-GFCCVEGCSA-N 1 3 196.338 1.990 20 0 ADADHO C[C@H](NC[C@H](C)C[NH3+])c1cccs1 308269625 409703416 /nfs/dbraw/zinc/70/34/16/409703416.db2.gz RMAWTYHHJWGGMA-BDAKNGLRSA-N 1 3 198.335 1.994 20 0 ADADHO NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 662246073 409702928 /nfs/dbraw/zinc/70/29/28/409702928.db2.gz NWHJHKWZKFEGAI-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 662246073 409702931 /nfs/dbraw/zinc/70/29/31/409702931.db2.gz NWHJHKWZKFEGAI-LBPRGKRZSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@H]1CC[N@H+](CCCC2CCC2)C1 662246072 409703273 /nfs/dbraw/zinc/70/32/73/409703273.db2.gz NWHJHKWZKFEGAI-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 662246072 409703278 /nfs/dbraw/zinc/70/32/78/409703278.db2.gz NWHJHKWZKFEGAI-GFCCVEGCSA-N 1 3 196.338 1.847 20 0 ADADHO C[C@@H](C[NH3+])CN[C@@H](C)c1cccs1 308269626 409703401 /nfs/dbraw/zinc/70/34/01/409703401.db2.gz RMAWTYHHJWGGMA-IUCAKERBSA-N 1 3 198.335 1.994 20 0 ADADHO C1CC(CCC[N@@H+]2CCCNCC2)C1 662240018 409703480 /nfs/dbraw/zinc/70/34/80/409703480.db2.gz HTGZKAUMPGIDMJ-UHFFFAOYSA-N 1 3 196.338 1.862 20 0 ADADHO C1CC(CCC[N@H+]2CCCNCC2)C1 662240018 409703487 /nfs/dbraw/zinc/70/34/87/409703487.db2.gz HTGZKAUMPGIDMJ-UHFFFAOYSA-N 1 3 196.338 1.862 20 0 ADADHO C[C@@H]1C[N@H+](CC2CC=CC2)CC[C@@H]1N 662242522 409703636 /nfs/dbraw/zinc/70/36/36/409703636.db2.gz ATADDWFHWVRLSY-PWSUYJOCSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1N 662242522 409703642 /nfs/dbraw/zinc/70/36/42/409703642.db2.gz ATADDWFHWVRLSY-PWSUYJOCSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@@H]1CN(C[C@H]2C[C@@H]3C[C@@H]3C2)C[C@H]1[NH3+] 662275613 409704560 /nfs/dbraw/zinc/70/45/60/409704560.db2.gz CYWMTMYOMZOUHP-RMPHRYRLSA-N 1 3 194.322 1.312 20 0 ADADHO CNC[C@H]1CC[N@H+](CC2CC=CC2)C1 662247168 409704632 /nfs/dbraw/zinc/70/46/32/409704632.db2.gz UPNKGLNQPSAQTC-GFCCVEGCSA-N 1 3 194.322 1.494 20 0 ADADHO CNC[C@H]1CC[N@@H+](CC2CC=CC2)C1 662247168 409704636 /nfs/dbraw/zinc/70/46/36/409704636.db2.gz UPNKGLNQPSAQTC-GFCCVEGCSA-N 1 3 194.322 1.494 20 0 ADADHO C[C@@H](N)[C@H]1CC[N@@H+](CC2CC=CC2)C1 662266887 409707745 /nfs/dbraw/zinc/70/77/45/409707745.db2.gz QAGRBUORTHTCJY-PWSUYJOCSA-N 1 3 194.322 1.622 20 0 ADADHO CC(C)=CCCN(C)C1CC([NH3+])C1 662273219 409705120 /nfs/dbraw/zinc/70/51/20/409705120.db2.gz KOFXLZVVZXCYJO-UHFFFAOYSA-N 1 3 182.311 1.764 20 0 ADADHO CC(C)=CCC[N@@H+](C)C1CC(N)C1 662273219 409705130 /nfs/dbraw/zinc/70/51/30/409705130.db2.gz KOFXLZVVZXCYJO-UHFFFAOYSA-N 1 3 182.311 1.764 20 0 ADADHO CC(C)=CCC[N@H+](C)C1CC(N)C1 662273219 409705135 /nfs/dbraw/zinc/70/51/35/409705135.db2.gz KOFXLZVVZXCYJO-UHFFFAOYSA-N 1 3 182.311 1.764 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1CC=CC1 662264353 409705185 /nfs/dbraw/zinc/70/51/85/409705185.db2.gz JGCFOSCQBWALAJ-CMPLNLGQSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@H]1C[C@H](CN)C[N@H+]1CC1CC=CC1 662264353 409705191 /nfs/dbraw/zinc/70/51/91/409705191.db2.gz JGCFOSCQBWALAJ-CMPLNLGQSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@@H](N)[C@@H]1CC[N@H+](CC2CC=CC2)C1 662266888 409705352 /nfs/dbraw/zinc/70/53/52/409705352.db2.gz QAGRBUORTHTCJY-ZYHUDNBSSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@@H](N)[C@@H]1CC[N@@H+](CC2CC=CC2)C1 662266888 409705358 /nfs/dbraw/zinc/70/53/58/409705358.db2.gz QAGRBUORTHTCJY-ZYHUDNBSSA-N 1 3 194.322 1.622 20 0 ADADHO [NH3+]C[C@H]1CCCN1CCCC1CCC1 662247410 409705485 /nfs/dbraw/zinc/70/54/85/409705485.db2.gz ZYCZGMRTOSXACQ-GFCCVEGCSA-N 1 3 196.338 1.990 20 0 ADADHO CC1(N)CC[NH+](CC2CC=CC2)CC1 662270433 409705991 /nfs/dbraw/zinc/70/59/91/409705991.db2.gz KTTCELXQJXFPJU-UHFFFAOYSA-N 1 3 194.322 1.766 20 0 ADADHO CC1([NH3+])CCN(CC2CC=CC2)CC1 662270433 409705995 /nfs/dbraw/zinc/70/59/95/409705995.db2.gz KTTCELXQJXFPJU-UHFFFAOYSA-N 1 3 194.322 1.766 20 0 ADADHO CNC[C@@H]1CC[N@H+](CC2CC=CC2)C1 662247169 409706130 /nfs/dbraw/zinc/70/61/30/409706130.db2.gz UPNKGLNQPSAQTC-LBPRGKRZSA-N 1 3 194.322 1.494 20 0 ADADHO CNC[C@@H]1CC[N@@H+](CC2CC=CC2)C1 662247169 409706133 /nfs/dbraw/zinc/70/61/33/409706133.db2.gz UPNKGLNQPSAQTC-LBPRGKRZSA-N 1 3 194.322 1.494 20 0 ADADHO C[C@H](N)[C@@H]1CC[N@H+](CC2CC=CC2)C1 662266885 409706300 /nfs/dbraw/zinc/70/63/00/409706300.db2.gz QAGRBUORTHTCJY-CMPLNLGQSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@H](N)[C@@H]1CC[N@@H+](CC2CC=CC2)C1 662266885 409706309 /nfs/dbraw/zinc/70/63/09/409706309.db2.gz QAGRBUORTHTCJY-CMPLNLGQSA-N 1 3 194.322 1.622 20 0 ADADHO CC1([NH3+])CCN(CCC2CCC2)CC1 662270478 409706650 /nfs/dbraw/zinc/70/66/50/409706650.db2.gz LIPLTUXWFWVELP-UHFFFAOYSA-N 1 3 196.338 1.990 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1CC=CC1 662264355 409706820 /nfs/dbraw/zinc/70/68/20/409706820.db2.gz JGCFOSCQBWALAJ-PWSUYJOCSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1CC=CC1 662264355 409706827 /nfs/dbraw/zinc/70/68/27/409706827.db2.gz JGCFOSCQBWALAJ-PWSUYJOCSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1CC=CC1 662264354 409707583 /nfs/dbraw/zinc/70/75/83/409707583.db2.gz JGCFOSCQBWALAJ-JQWIXIFHSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1CC=CC1 662264354 409707589 /nfs/dbraw/zinc/70/75/89/409707589.db2.gz JGCFOSCQBWALAJ-JQWIXIFHSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@@H](N)[C@H]1CC[N@H+](CC2CC=CC2)C1 662266887 409707737 /nfs/dbraw/zinc/70/77/37/409707737.db2.gz QAGRBUORTHTCJY-PWSUYJOCSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1CC=CC1 662264356 409707977 /nfs/dbraw/zinc/70/79/77/409707977.db2.gz JGCFOSCQBWALAJ-ZYHUDNBSSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1CC=CC1 662264356 409707980 /nfs/dbraw/zinc/70/79/80/409707980.db2.gz JGCFOSCQBWALAJ-ZYHUDNBSSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@H](N)[C@H]1CC[N@H+](CC2CC=CC2)C1 662266886 409708363 /nfs/dbraw/zinc/70/83/63/409708363.db2.gz QAGRBUORTHTCJY-JQWIXIFHSA-N 1 3 194.322 1.622 20 0 ADADHO C[C@H](N)[C@H]1CC[N@@H+](CC2CC=CC2)C1 662266886 409708370 /nfs/dbraw/zinc/70/83/70/409708370.db2.gz QAGRBUORTHTCJY-JQWIXIFHSA-N 1 3 194.322 1.622 20 0 ADADHO CN(CCCC1CCC1)C1CC([NH3+])C1 662272219 409708445 /nfs/dbraw/zinc/70/84/45/409708445.db2.gz CSGUQPIDTRBUMA-UHFFFAOYSA-N 1 3 196.338 1.988 20 0 ADADHO C[N@H+](CCCC1CCC1)C1CC(N)C1 662272219 409708455 /nfs/dbraw/zinc/70/84/55/409708455.db2.gz CSGUQPIDTRBUMA-UHFFFAOYSA-N 1 3 196.338 1.988 20 0 ADADHO C[N@@H+](CCCC1CCC1)C1CC(N)C1 662272219 409708461 /nfs/dbraw/zinc/70/84/61/409708461.db2.gz CSGUQPIDTRBUMA-UHFFFAOYSA-N 1 3 196.338 1.988 20 0 ADADHO C[NH2+]CCCN(C)CCC=C(C)C 662282483 409709545 /nfs/dbraw/zinc/70/95/45/409709545.db2.gz VURAFCCMRDLZFJ-UHFFFAOYSA-N 1 3 184.327 1.884 20 0 ADADHO CNCCC[N@H+](C)CCC=C(C)C 662282483 409709552 /nfs/dbraw/zinc/70/95/52/409709552.db2.gz VURAFCCMRDLZFJ-UHFFFAOYSA-N 1 3 184.327 1.884 20 0 ADADHO CNCCC[N@@H+](C)CCC=C(C)C 662282483 409709562 /nfs/dbraw/zinc/70/95/62/409709562.db2.gz VURAFCCMRDLZFJ-UHFFFAOYSA-N 1 3 184.327 1.884 20 0 ADADHO C[C@H](C[NH3+])CN[C@H](C)c1ccsc1 308345581 409709774 /nfs/dbraw/zinc/70/97/74/409709774.db2.gz UXYZBMSFCKQUDH-RKDXNWHRSA-N 1 3 198.335 1.994 20 0 ADADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1CC=CC1 662285028 409709827 /nfs/dbraw/zinc/70/98/27/409709827.db2.gz UTPDWYSOFGTAIL-PWSUYJOCSA-N 1 3 194.322 1.764 20 0 ADADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1CC=CC1 662285028 409709835 /nfs/dbraw/zinc/70/98/35/409709835.db2.gz UTPDWYSOFGTAIL-PWSUYJOCSA-N 1 3 194.322 1.764 20 0 ADADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccsc1 308345580 409710658 /nfs/dbraw/zinc/71/06/58/409710658.db2.gz UXYZBMSFCKQUDH-IUCAKERBSA-N 1 3 198.335 1.994 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1CC=CC1 662285026 409710693 /nfs/dbraw/zinc/71/06/93/409710693.db2.gz UTPDWYSOFGTAIL-CMPLNLGQSA-N 1 3 194.322 1.764 20 0 ADADHO C[C@H]1C[C@H](N)CC[N@H+]1CC1CC=CC1 662285026 409710699 /nfs/dbraw/zinc/71/06/99/409710699.db2.gz UTPDWYSOFGTAIL-CMPLNLGQSA-N 1 3 194.322 1.764 20 0 ADADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1CC=CC1 662285029 409710853 /nfs/dbraw/zinc/71/08/53/409710853.db2.gz UTPDWYSOFGTAIL-ZYHUDNBSSA-N 1 3 194.322 1.764 20 0 ADADHO C[C@@H](C[NH3+])CN[C@H](C)c1ccsc1 308345579 409710856 /nfs/dbraw/zinc/71/08/56/409710856.db2.gz UXYZBMSFCKQUDH-DTWKUNHWSA-N 1 3 198.335 1.994 20 0 ADADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1CC=CC1 662285029 409710859 /nfs/dbraw/zinc/71/08/59/409710859.db2.gz UTPDWYSOFGTAIL-ZYHUDNBSSA-N 1 3 194.322 1.764 20 0 ADADHO CCC[C@H](C)[NH2+]C[C@H](C)CN(C)C 308325822 409710876 /nfs/dbraw/zinc/71/08/76/409710876.db2.gz FWHCCICIGWFBKW-QWRGUYRKSA-N 1 3 186.343 1.962 20 0 ADADHO CCC[C@H](C)[NH2+]C[C@@H](C)CN(C)C 308325821 409711250 /nfs/dbraw/zinc/71/12/50/409711250.db2.gz FWHCCICIGWFBKW-MNOVXSKESA-N 1 3 186.343 1.962 20 0 ADADHO CNCCC[N@H+](C)CC1CC=CC1 662280645 409712032 /nfs/dbraw/zinc/71/20/32/409712032.db2.gz GJGVPRBOJFHXHK-UHFFFAOYSA-N 1 3 182.311 1.494 20 0 ADADHO CNCCC[N@@H+](C)CC1CC=CC1 662280645 409712035 /nfs/dbraw/zinc/71/20/35/409712035.db2.gz GJGVPRBOJFHXHK-UHFFFAOYSA-N 1 3 182.311 1.494 20 0 ADADHO C[NH2+]CCCN(C)CC1CC=CC1 662280645 409712038 /nfs/dbraw/zinc/71/20/38/409712038.db2.gz GJGVPRBOJFHXHK-UHFFFAOYSA-N 1 3 182.311 1.494 20 0 ADADHO CC[C@@H](C)C[NH2+]C[C@H](C)CN(C)C 308351047 409712054 /nfs/dbraw/zinc/71/20/54/409712054.db2.gz YIDRZTLIWLXPRO-MNOVXSKESA-N 1 3 186.343 1.820 20 0 ADADHO CC[C@H](C)C[NH2+]C[C@H](C)CN(C)C 308351049 409712138 /nfs/dbraw/zinc/71/21/38/409712138.db2.gz YIDRZTLIWLXPRO-QWRGUYRKSA-N 1 3 186.343 1.820 20 0 ADADHO CC[C@H](C)C[NH2+]C[C@@H](C)CN(C)C 308351050 409712242 /nfs/dbraw/zinc/71/22/42/409712242.db2.gz YIDRZTLIWLXPRO-WDEREUQCSA-N 1 3 186.343 1.820 20 0 ADADHO CC[C@@H](C)C[NH2+]C[C@@H](C)CN(C)C 308351046 409712394 /nfs/dbraw/zinc/71/23/94/409712394.db2.gz YIDRZTLIWLXPRO-GHMZBOCLSA-N 1 3 186.343 1.820 20 0 ADADHO CCC[C@@H](C)[NH2+]C[C@H](C)CN(C)C 308325823 409712451 /nfs/dbraw/zinc/71/24/51/409712451.db2.gz FWHCCICIGWFBKW-WDEREUQCSA-N 1 3 186.343 1.962 20 0 ADADHO CCC[C@@H](C)[NH2+]C[C@@H](C)CN(C)C 308325820 409712466 /nfs/dbraw/zinc/71/24/66/409712466.db2.gz FWHCCICIGWFBKW-GHMZBOCLSA-N 1 3 186.343 1.962 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1CC=CC1 662285027 409712496 /nfs/dbraw/zinc/71/24/96/409712496.db2.gz UTPDWYSOFGTAIL-JQWIXIFHSA-N 1 3 194.322 1.764 20 0 ADADHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1CC=CC1 662285027 409712500 /nfs/dbraw/zinc/71/25/00/409712500.db2.gz UTPDWYSOFGTAIL-JQWIXIFHSA-N 1 3 194.322 1.764 20 0 ADADHO C[C@H](NC[C@H](C)C[NH3+])c1ccsc1 308345578 409712501 /nfs/dbraw/zinc/71/25/01/409712501.db2.gz UXYZBMSFCKQUDH-BDAKNGLRSA-N 1 3 198.335 1.994 20 0 ADADHO CNCCC[N@@H+]1[C@@H](C)CC[C@H]1C 308388592 409713830 /nfs/dbraw/zinc/71/38/30/409713830.db2.gz WNBOIOJCDMJHMW-AOOOYVTPSA-N 1 3 170.300 1.469 20 0 ADADHO CNCCC[N@H+]1[C@@H](C)CC[C@H]1C 308388592 409713839 /nfs/dbraw/zinc/71/38/39/409713839.db2.gz WNBOIOJCDMJHMW-AOOOYVTPSA-N 1 3 170.300 1.469 20 0 ADADHO CNCCC[NH+]1[C@@H](C)CC[C@@H]1C 308388598 409714469 /nfs/dbraw/zinc/71/44/69/409714469.db2.gz WNBOIOJCDMJHMW-UWVGGRQHSA-N 1 3 170.300 1.469 20 0 ADADHO C[NH2+]CCCN(C)C[C@H]1CC1(C)C 662331225 409715476 /nfs/dbraw/zinc/71/54/76/409715476.db2.gz LXGBIRGQWBDSSS-SNVBAGLBSA-N 1 3 184.327 1.574 20 0 ADADHO CNCCC[NH+]1[C@H](C)CC[C@H]1C 308388595 409716650 /nfs/dbraw/zinc/71/66/50/409716650.db2.gz WNBOIOJCDMJHMW-NXEZZACHSA-N 1 3 170.300 1.469 20 0 ADADHO C[NH2+]CCCN(C)C[C@@H]1CC1(C)C 662331224 409717111 /nfs/dbraw/zinc/71/71/11/409717111.db2.gz LXGBIRGQWBDSSS-JTQLQIEISA-N 1 3 184.327 1.574 20 0 ADADHO CN(C[C@H]1CC[NH2+]C1)C[C@H]1CC1(C)C 662332526 409719324 /nfs/dbraw/zinc/71/93/24/409719324.db2.gz WSFPIFNBCYBUCJ-WDEREUQCSA-N 1 3 196.338 1.574 20 0 ADADHO CN(C[C@H]1CC[NH2+]C1)C[C@@H]1CC1(C)C 662332524 409719289 /nfs/dbraw/zinc/71/92/89/409719289.db2.gz WSFPIFNBCYBUCJ-QWRGUYRKSA-N 1 3 196.338 1.574 20 0 ADADHO CN(C[C@H]1CC1(C)C)C[C@@H]1CC[NH2+]C1 662332519 409720434 /nfs/dbraw/zinc/72/04/34/409720434.db2.gz WSFPIFNBCYBUCJ-GHMZBOCLSA-N 1 3 196.338 1.574 20 0 ADADHO CN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CC1(C)C 662332521 409720506 /nfs/dbraw/zinc/72/05/06/409720506.db2.gz WSFPIFNBCYBUCJ-MNOVXSKESA-N 1 3 196.338 1.574 20 0 ADADHO CCC(C)(C)CC[NH2+][C@H]1CCNC1 308510275 409729996 /nfs/dbraw/zinc/72/99/96/409729996.db2.gz IXDJOSTVFPOZTH-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CCC(C)(C)CC[NH2+][C@@H]1CCNC1 308510276 409730224 /nfs/dbraw/zinc/73/02/24/409730224.db2.gz IXDJOSTVFPOZTH-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CNCCC[N@H+](C)C(C1CC1)C1CC1 308556514 409733150 /nfs/dbraw/zinc/73/31/50/409733150.db2.gz SPJVLMQELOXFNM-UHFFFAOYSA-N 1 3 196.338 1.716 20 0 ADADHO CNCCC[N@@H+](C)C(C1CC1)C1CC1 308556514 409733154 /nfs/dbraw/zinc/73/31/54/409733154.db2.gz SPJVLMQELOXFNM-UHFFFAOYSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H](C[NH3+])CN[C@H](C)c1ccncc1 308618074 409739983 /nfs/dbraw/zinc/73/99/83/409739983.db2.gz SGVJCAVSZQOGDC-VHSXEESVSA-N 1 3 193.294 1.327 20 0 ADADHO C[C@H](C[NH3+])CN[C@H](C)c1ccncc1 308618072 409740838 /nfs/dbraw/zinc/74/08/38/409740838.db2.gz SGVJCAVSZQOGDC-NXEZZACHSA-N 1 3 193.294 1.327 20 0 ADADHO CCCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 308623120 409743367 /nfs/dbraw/zinc/74/33/67/409743367.db2.gz XQUOQXAVAKMJQG-RYUDHWBXSA-N 1 3 196.338 1.847 20 0 ADADHO CCCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 308623120 409743374 /nfs/dbraw/zinc/74/33/74/409743374.db2.gz XQUOQXAVAKMJQG-RYUDHWBXSA-N 1 3 196.338 1.847 20 0 ADADHO CCCC[N@H+](CCOC)C[C@@H](C)N 308667997 409749950 /nfs/dbraw/zinc/74/99/50/409749950.db2.gz UFRQFKCYEHAAML-SNVBAGLBSA-N 1 3 188.315 1.082 20 0 ADADHO CCCC[N@@H+](CCOC)C[C@@H](C)N 308667997 409749958 /nfs/dbraw/zinc/74/99/58/409749958.db2.gz UFRQFKCYEHAAML-SNVBAGLBSA-N 1 3 188.315 1.082 20 0 ADADHO C[C@H](CCCC[NH3+])NCc1ccco1 308700161 409750012 /nfs/dbraw/zinc/75/00/12/409750012.db2.gz USBJGKNRLBGVKT-SNVBAGLBSA-N 1 3 196.294 1.887 20 0 ADADHO CCCC[N@H+](CCOC)C[C@H](C)N 308667996 409750598 /nfs/dbraw/zinc/75/05/98/409750598.db2.gz UFRQFKCYEHAAML-JTQLQIEISA-N 1 3 188.315 1.082 20 0 ADADHO CCCC[N@@H+](CCOC)C[C@H](C)N 308667996 409750602 /nfs/dbraw/zinc/75/06/02/409750602.db2.gz UFRQFKCYEHAAML-JTQLQIEISA-N 1 3 188.315 1.082 20 0 ADADHO C[C@@H](CCCC[NH3+])NCc1ccco1 308700160 409750937 /nfs/dbraw/zinc/75/09/37/409750937.db2.gz USBJGKNRLBGVKT-JTQLQIEISA-N 1 3 196.294 1.887 20 0 ADADHO CCC(C)(C)CCN1CC[C@H]([NH3+])C1 308675331 409751574 /nfs/dbraw/zinc/75/15/74/409751574.db2.gz WBJQNTYJCMEUBV-JTQLQIEISA-N 1 3 184.327 1.846 20 0 ADADHO CCN(C[C@@H]1CC[NH2+]C1)C1CCC1 308749598 409753358 /nfs/dbraw/zinc/75/33/58/409753358.db2.gz SXXGQBPXOCSGRV-SNVBAGLBSA-N 1 3 182.311 1.470 20 0 ADADHO CCN(C[C@H]1CC[NH2+]C1)C1CCC1 308749597 409754627 /nfs/dbraw/zinc/75/46/27/409754627.db2.gz SXXGQBPXOCSGRV-JTQLQIEISA-N 1 3 182.311 1.470 20 0 ADADHO CNCCC[N@@H+]1CCC[C@H]1C1CCC1 308878276 409756794 /nfs/dbraw/zinc/75/67/94/409756794.db2.gz OOGTZDIVSPUBEV-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO CNCCC[N@H+]1CCC[C@H]1C1CCC1 308878276 409756799 /nfs/dbraw/zinc/75/67/99/409756799.db2.gz OOGTZDIVSPUBEV-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO CNCCC[N@@H+]1CCC[C@@H]1C1CCC1 308878275 409756930 /nfs/dbraw/zinc/75/69/30/409756930.db2.gz OOGTZDIVSPUBEV-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO CNCCC[N@H+]1CCC[C@@H]1C1CCC1 308878275 409756939 /nfs/dbraw/zinc/75/69/39/409756939.db2.gz OOGTZDIVSPUBEV-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2C[C@H]2C)C1 308895209 409758535 /nfs/dbraw/zinc/75/85/35/409758535.db2.gz ZPENSNUWAWBMAI-WOPDTQHZSA-N 1 3 196.338 1.574 20 0 ADADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2C)C1 308895209 409758544 /nfs/dbraw/zinc/75/85/44/409758544.db2.gz ZPENSNUWAWBMAI-WOPDTQHZSA-N 1 3 196.338 1.574 20 0 ADADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C)C1 308895209 409758549 /nfs/dbraw/zinc/75/85/49/409758549.db2.gz ZPENSNUWAWBMAI-WOPDTQHZSA-N 1 3 196.338 1.574 20 0 ADADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2C[C@@H]2C)C1 308895208 409759979 /nfs/dbraw/zinc/75/99/79/409759979.db2.gz ZPENSNUWAWBMAI-SRVKXCTJSA-N 1 3 196.338 1.574 20 0 ADADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2C)C1 308895208 409759982 /nfs/dbraw/zinc/75/99/82/409759982.db2.gz ZPENSNUWAWBMAI-SRVKXCTJSA-N 1 3 196.338 1.574 20 0 ADADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2C)C1 308895208 409759984 /nfs/dbraw/zinc/75/99/84/409759984.db2.gz ZPENSNUWAWBMAI-SRVKXCTJSA-N 1 3 196.338 1.574 20 0 ADADHO CC(C)N(C[C@@H]1CC[NH2+]C1)C1CCC1 308945111 409760378 /nfs/dbraw/zinc/76/03/78/409760378.db2.gz RTJVTKOIUGPIDX-LLVKDONJSA-N 1 3 196.338 1.859 20 0 ADADHO CC(C)N(C[C@H]1CC[NH2+]C1)C1CCC1 308945113 409760464 /nfs/dbraw/zinc/76/04/64/409760464.db2.gz RTJVTKOIUGPIDX-NSHDSACASA-N 1 3 196.338 1.859 20 0 ADADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2C[C@H]2C)C1 308895206 409761193 /nfs/dbraw/zinc/76/11/93/409761193.db2.gz ZPENSNUWAWBMAI-GRYCIOLGSA-N 1 3 196.338 1.574 20 0 ADADHO CNC[C@@H]1CCC[N@H+](C[C@H]2C[C@H]2C)C1 308895206 409761205 /nfs/dbraw/zinc/76/12/05/409761205.db2.gz ZPENSNUWAWBMAI-GRYCIOLGSA-N 1 3 196.338 1.574 20 0 ADADHO CNC[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2C)C1 308895206 409761210 /nfs/dbraw/zinc/76/12/10/409761210.db2.gz ZPENSNUWAWBMAI-GRYCIOLGSA-N 1 3 196.338 1.574 20 0 ADADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2C[C@@H]2C)C1 308895207 409761429 /nfs/dbraw/zinc/76/14/29/409761429.db2.gz ZPENSNUWAWBMAI-SDDRHHMPSA-N 1 3 196.338 1.574 20 0 ADADHO CNC[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2C)C1 308895207 409761434 /nfs/dbraw/zinc/76/14/34/409761434.db2.gz ZPENSNUWAWBMAI-SDDRHHMPSA-N 1 3 196.338 1.574 20 0 ADADHO CNC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2C)C1 308895207 409761440 /nfs/dbraw/zinc/76/14/40/409761440.db2.gz ZPENSNUWAWBMAI-SDDRHHMPSA-N 1 3 196.338 1.574 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1C 663509953 409787735 /nfs/dbraw/zinc/78/77/35/409787735.db2.gz NHMHJLLHENPPGJ-LPEHRKFASA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H](C)C1 663509622 409787496 /nfs/dbraw/zinc/78/74/96/409787496.db2.gz LGYVUYHOOTYJFR-GARJFASQSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CC[C@@H](C)C1 663511191 409787515 /nfs/dbraw/zinc/78/75/15/409787515.db2.gz VXTKNZCXDQISMP-UTLUCORTSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H](C)C1 663509691 409787666 /nfs/dbraw/zinc/78/76/66/409787666.db2.gz LGYVUYHOOTYJFR-VWYCJHECSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)NC1CCC(C)CC1 663511599 409787708 /nfs/dbraw/zinc/78/77/08/409787708.db2.gz XPMRVHZQCHUUFG-YVNMAJEFSA-N 1 3 184.327 1.763 20 0 ADADHO CCC[C@@H](CC)N[C@H](C)C[NH2+]C 663512646 409787917 /nfs/dbraw/zinc/78/79/17/409787917.db2.gz HGCOSMQWLUMDLQ-NXEZZACHSA-N 1 3 172.316 1.763 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@H]1CCC(C)(C)C1 663513492 409787945 /nfs/dbraw/zinc/78/79/45/409787945.db2.gz KTXSDNDIBAFFEU-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CCCC[C@@H]1C 663510456 409788046 /nfs/dbraw/zinc/78/80/46/409788046.db2.gz QHCRDDXFPCLNFC-DCAQKATOSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1C 663509951 409788118 /nfs/dbraw/zinc/78/81/18/409788118.db2.gz NHMHJLLHENPPGJ-KXUCPTDWSA-N 1 3 170.300 1.373 20 0 ADADHO CCC[C@H](CC)N[C@H](C)C[NH2+]C 663512652 409788219 /nfs/dbraw/zinc/78/82/19/409788219.db2.gz HGCOSMQWLUMDLQ-ZJUUUORDSA-N 1 3 172.316 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H](C)CC1CCC1 663512016 409788276 /nfs/dbraw/zinc/78/82/76/409788276.db2.gz DUIKEXAUNYURCQ-UWVGGRQHSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H](C)C1 663509621 409788400 /nfs/dbraw/zinc/78/84/00/409788400.db2.gz LGYVUYHOOTYJFR-DCAQKATOSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@@H](C)CC1CCC1 663512022 409788624 /nfs/dbraw/zinc/78/86/24/409788624.db2.gz DUIKEXAUNYURCQ-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CC[C@H](C)C1 663511186 409788648 /nfs/dbraw/zinc/78/86/48/409788648.db2.gz VXTKNZCXDQISMP-GUBZILKMSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CCCC1(C)C 663510491 409788781 /nfs/dbraw/zinc/78/87/81/409788781.db2.gz QTYXTOGKIQSSQU-UWVGGRQHSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H](C)CC1CCC1 663512025 409788920 /nfs/dbraw/zinc/78/89/20/409788920.db2.gz DUIKEXAUNYURCQ-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO CCC[C@@H](CC)N[C@@H](C)C[NH2+]C 663512651 409788947 /nfs/dbraw/zinc/78/89/47/409788947.db2.gz HGCOSMQWLUMDLQ-VHSXEESVSA-N 1 3 172.316 1.763 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@H]1CCCC1(C)C 663510493 409788970 /nfs/dbraw/zinc/78/89/70/409788970.db2.gz QTYXTOGKIQSSQU-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H](C)C1 663511190 409789095 /nfs/dbraw/zinc/78/90/95/409789095.db2.gz VXTKNZCXDQISMP-LPEHRKFASA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@@H]1CCCC1(C)C 663510490 409789272 /nfs/dbraw/zinc/78/92/72/409789272.db2.gz QTYXTOGKIQSSQU-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO CCC[C@H](CC)N[C@@H](C)C[NH2+]C 663512650 409789487 /nfs/dbraw/zinc/78/94/87/409789487.db2.gz HGCOSMQWLUMDLQ-UWVGGRQHSA-N 1 3 172.316 1.763 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@@H]1CCC(C)(C)C1 663513487 409789560 /nfs/dbraw/zinc/78/95/60/409789560.db2.gz KTXSDNDIBAFFEU-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CCCC[C@H]1C 663510458 409789608 /nfs/dbraw/zinc/78/96/08/409789608.db2.gz QHCRDDXFPCLNFC-OUAUKWLOSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H]1C 663509949 409789760 /nfs/dbraw/zinc/78/97/60/409789760.db2.gz NHMHJLLHENPPGJ-GUBZILKMSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@H](C)CC1CCC1 663512013 409789944 /nfs/dbraw/zinc/78/99/44/409789944.db2.gz DUIKEXAUNYURCQ-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CCCC1(C)C 663510492 409789994 /nfs/dbraw/zinc/78/99/94/409789994.db2.gz QTYXTOGKIQSSQU-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CCC(C)(C)C1 663513488 409790067 /nfs/dbraw/zinc/79/00/67/409790067.db2.gz KTXSDNDIBAFFEU-UWVGGRQHSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@@H](C)NC1CCC(C)CC1 663511597 409790211 /nfs/dbraw/zinc/79/02/11/409790211.db2.gz XPMRVHZQCHUUFG-HSOILSAZSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CCCC[C@@H]1C 663510457 409790465 /nfs/dbraw/zinc/79/04/65/409790465.db2.gz QHCRDDXFPCLNFC-GARJFASQSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H]1C 663509955 409790549 /nfs/dbraw/zinc/79/05/49/409790549.db2.gz NHMHJLLHENPPGJ-UTLUCORTSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CCC(C)(C)C1 663513490 409790620 /nfs/dbraw/zinc/79/06/20/409790620.db2.gz KTXSDNDIBAFFEU-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H](C)C1 663511188 409790872 /nfs/dbraw/zinc/79/08/72/409790872.db2.gz VXTKNZCXDQISMP-KXUCPTDWSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CCCC[C@H]1C 663510459 409791036 /nfs/dbraw/zinc/79/10/36/409791036.db2.gz QHCRDDXFPCLNFC-VWYCJHECSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H](C)C1 663509690 409791158 /nfs/dbraw/zinc/79/11/58/409791158.db2.gz LGYVUYHOOTYJFR-OUAUKWLOSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H](C)C1CCC1 663515042 409791780 /nfs/dbraw/zinc/79/17/80/409791780.db2.gz YRQKSDGKQPNXLN-DTWKUNHWSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@H](C)NC[C@@H](C)CC(C)C 663514396 409791964 /nfs/dbraw/zinc/79/19/64/409791964.db2.gz QWTLELLLCNIUNU-QWRGUYRKSA-N 1 3 186.343 1.866 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H](C)CCC1CC1 663514654 409792050 /nfs/dbraw/zinc/79/20/50/409792050.db2.gz RQISTWVYPWPNPB-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)NC[C@H](C)CC(C)C 663514395 409792217 /nfs/dbraw/zinc/79/22/17/409792217.db2.gz QWTLELLLCNIUNU-MNOVXSKESA-N 1 3 186.343 1.866 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H](C)CC1CC1 663513741 409792324 /nfs/dbraw/zinc/79/23/24/409792324.db2.gz LSEDACRRFUFKKX-IUCAKERBSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@@H](C)CCC1CC1 663514653 409792407 /nfs/dbraw/zinc/79/24/07/409792407.db2.gz RQISTWVYPWPNPB-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO CCCC[C@H](C)N[C@H](C)C[NH2+]C 663513764 409792611 /nfs/dbraw/zinc/79/26/11/409792611.db2.gz LZHPGNSEIQZPGA-VHSXEESVSA-N 1 3 172.316 1.763 20 0 ADADHO CCCC[C@@H](C)N[C@H](C)C[NH2+]C 663513762 409792753 /nfs/dbraw/zinc/79/27/53/409792753.db2.gz LZHPGNSEIQZPGA-NXEZZACHSA-N 1 3 172.316 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H](C)CCC1CC1 663514652 409792784 /nfs/dbraw/zinc/79/27/84/409792784.db2.gz RQISTWVYPWPNPB-UWVGGRQHSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@H](C)CCC1CC1 663514651 409792870 /nfs/dbraw/zinc/79/28/70/409792870.db2.gz RQISTWVYPWPNPB-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@@H](C)C1CCC1 663515041 409792897 /nfs/dbraw/zinc/79/28/97/409792897.db2.gz YRQKSDGKQPNXLN-BDAKNGLRSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H](C)C1CCC1 663515043 409793088 /nfs/dbraw/zinc/79/30/88/409793088.db2.gz YRQKSDGKQPNXLN-IUCAKERBSA-N 1 3 170.300 1.373 20 0 ADADHO CCCC[C@H](C)N[C@@H](C)C[NH2+]C 663513763 409793297 /nfs/dbraw/zinc/79/32/97/409793297.db2.gz LZHPGNSEIQZPGA-UWVGGRQHSA-N 1 3 172.316 1.763 20 0 ADADHO CCCC[C@@H](C)N[C@@H](C)C[NH2+]C 663513765 409793319 /nfs/dbraw/zinc/79/33/19/409793319.db2.gz LZHPGNSEIQZPGA-ZJUUUORDSA-N 1 3 172.316 1.763 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@H](C)C1CCC1 663515044 409793606 /nfs/dbraw/zinc/79/36/06/409793606.db2.gz YRQKSDGKQPNXLN-RKDXNWHRSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@H](C)CC1CC1 663513742 409793728 /nfs/dbraw/zinc/79/37/28/409793728.db2.gz LSEDACRRFUFKKX-RKDXNWHRSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@@H](C)NC[C@H](C)CC(C)C 663514394 409793775 /nfs/dbraw/zinc/79/37/75/409793775.db2.gz QWTLELLLCNIUNU-GHMZBOCLSA-N 1 3 186.343 1.866 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H](C)CC1CC1 663513594 409793844 /nfs/dbraw/zinc/79/38/44/409793844.db2.gz LSEDACRRFUFKKX-BDAKNGLRSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@@H](C)NC[C@@H](C)CC(C)C 663514397 409794129 /nfs/dbraw/zinc/79/41/29/409794129.db2.gz QWTLELLLCNIUNU-WDEREUQCSA-N 1 3 186.343 1.866 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@@H](C)CC1CC1 663513595 409794332 /nfs/dbraw/zinc/79/43/32/409794332.db2.gz LSEDACRRFUFKKX-DTWKUNHWSA-N 1 3 170.300 1.373 20 0 ADADHO CNCCC[NH2+][C@@H]1CCC1(C)C 379313783 409822342 /nfs/dbraw/zinc/82/23/42/409822342.db2.gz JUYCZUNZQIWYKT-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCCN[C@@H]1CCC1(C)C 379313783 409822347 /nfs/dbraw/zinc/82/23/47/409822347.db2.gz JUYCZUNZQIWYKT-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO CNCCC[NH2+][C@H]1CCC1(C)C 379313784 409822454 /nfs/dbraw/zinc/82/24/54/409822454.db2.gz JUYCZUNZQIWYKT-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO C[NH2+]CCCN[C@H]1CCC1(C)C 379313784 409822460 /nfs/dbraw/zinc/82/24/60/409822460.db2.gz JUYCZUNZQIWYKT-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO C[C@@H](Cc1cccs1)NCC[NH3+] 379321434 409825838 /nfs/dbraw/zinc/82/58/38/409825838.db2.gz CDQGGMJPNYLBTD-QMMMGPOBSA-N 1 3 184.308 1.227 20 0 ADADHO C[C@H](Cc1cccs1)NCC[NH3+] 379321433 409825879 /nfs/dbraw/zinc/82/58/79/409825879.db2.gz CDQGGMJPNYLBTD-MRVPVSSYSA-N 1 3 184.308 1.227 20 0 ADADHO CC(C)[C@@H]([NH3+])CN[C@@H]1CCC1(C)C 379348092 409829725 /nfs/dbraw/zinc/82/97/25/409829725.db2.gz JFVSLSGTXHKGEA-VHSXEESVSA-N 1 3 184.327 1.748 20 0 ADADHO CC(C)[C@@H]([NH3+])CN[C@H]1CCC1(C)C 379348091 409830329 /nfs/dbraw/zinc/83/03/29/409830329.db2.gz JFVSLSGTXHKGEA-UWVGGRQHSA-N 1 3 184.327 1.748 20 0 ADADHO CC1(C)CNCC[C@H]1[NH2+]CCCF 379356034 409832536 /nfs/dbraw/zinc/83/25/36/409832536.db2.gz MYFWMASFAGSNEC-SECBINFHSA-N 1 3 188.290 1.324 20 0 ADADHO CC1(C)C[NH2+]CC[C@H]1NCCCF 379356034 409832544 /nfs/dbraw/zinc/83/25/44/409832544.db2.gz MYFWMASFAGSNEC-SECBINFHSA-N 1 3 188.290 1.324 20 0 ADADHO CC1(C)CNCC[C@@H]1[NH2+]CCCF 379356035 409832732 /nfs/dbraw/zinc/83/27/32/409832732.db2.gz MYFWMASFAGSNEC-VIFPVBQESA-N 1 3 188.290 1.324 20 0 ADADHO CC1(C)C[NH2+]CC[C@@H]1NCCCF 379356035 409832738 /nfs/dbraw/zinc/83/27/38/409832738.db2.gz MYFWMASFAGSNEC-VIFPVBQESA-N 1 3 188.290 1.324 20 0 ADADHO C[NH2+]CCCN(C)CCCCCF 379367309 409834861 /nfs/dbraw/zinc/83/48/61/409834861.db2.gz MCQQGYVHHDRHHX-UHFFFAOYSA-N 1 3 190.306 1.668 20 0 ADADHO CNCCC[N@H+](C)CCCCCF 379367309 409834869 /nfs/dbraw/zinc/83/48/69/409834869.db2.gz MCQQGYVHHDRHHX-UHFFFAOYSA-N 1 3 190.306 1.668 20 0 ADADHO CNCCC[N@@H+](C)CCCCCF 379367309 409834877 /nfs/dbraw/zinc/83/48/77/409834877.db2.gz MCQQGYVHHDRHHX-UHFFFAOYSA-N 1 3 190.306 1.668 20 0 ADADHO C[NH2+]CCCN1CCC2(CCC2)C1 379533875 409850182 /nfs/dbraw/zinc/85/01/82/409850182.db2.gz GAPUPWJZSRXUNE-UHFFFAOYSA-N 1 3 182.311 1.472 20 0 ADADHO C[C@H]([NH2+]C[C@H](C)CN)C1CCCC1 379388759 409840261 /nfs/dbraw/zinc/84/02/61/409840261.db2.gz KARDUNRVKRHNSN-ZJUUUORDSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@@H](CN)C[NH2+][C@@H](C)C1CCCC1 379388758 409840585 /nfs/dbraw/zinc/84/05/85/409840585.db2.gz KARDUNRVKRHNSN-UWVGGRQHSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@H](CN)C[NH2+][C@H](C)C1CCCC1 379401092 409843660 /nfs/dbraw/zinc/84/36/60/409843660.db2.gz KARDUNRVKRHNSN-NXEZZACHSA-N 1 3 184.327 1.750 20 0 ADADHO C[C@@H](CN)C[NH2+][C@H](C)C1CCCC1 379401093 409843668 /nfs/dbraw/zinc/84/36/68/409843668.db2.gz KARDUNRVKRHNSN-VHSXEESVSA-N 1 3 184.327 1.750 20 0 ADADHO CC1(C)CC[C@@H]1[NH2+]CCCNC1CC1 379507120 409845871 /nfs/dbraw/zinc/84/58/71/409845871.db2.gz RNNPKHWAFMHPED-NSHDSACASA-N 1 3 196.338 1.907 20 0 ADADHO CC1(C)CC[C@H]1[NH2+]CCCNC1CC1 379507118 409846046 /nfs/dbraw/zinc/84/60/46/409846046.db2.gz RNNPKHWAFMHPED-LLVKDONJSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](CCCC[NH3+])NCc1ccoc1 379535173 409849758 /nfs/dbraw/zinc/84/97/58/409849758.db2.gz LHQSLHDBEFVNQB-JTQLQIEISA-N 1 3 196.294 1.887 20 0 ADADHO C[NH2+]CCCN1C[C@H]2[C@@H](C1)C2(C)C 379537737 409850046 /nfs/dbraw/zinc/85/00/46/409850046.db2.gz CSOXSAKJMFLJBT-AOOOYVTPSA-N 1 3 182.311 1.184 20 0 ADADHO CNCCC[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 379537737 409850055 /nfs/dbraw/zinc/85/00/55/409850055.db2.gz CSOXSAKJMFLJBT-AOOOYVTPSA-N 1 3 182.311 1.184 20 0 ADADHO CNCCC[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 379537737 409850058 /nfs/dbraw/zinc/85/00/58/409850058.db2.gz CSOXSAKJMFLJBT-AOOOYVTPSA-N 1 3 182.311 1.184 20 0 ADADHO C[C@H](CCCC[NH3+])NCc1ccoc1 379535178 409850385 /nfs/dbraw/zinc/85/03/85/409850385.db2.gz LHQSLHDBEFVNQB-SNVBAGLBSA-N 1 3 196.294 1.887 20 0 ADADHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CC1 379601645 409855596 /nfs/dbraw/zinc/85/55/96/409855596.db2.gz MBECLRHISCZCIO-CMPLNLGQSA-N 1 3 198.354 1.962 20 0 ADADHO CC[C@H]([NH2+][C@H]1CCNC1)[C@@H]1C[C@@H]1C 665241175 409855622 /nfs/dbraw/zinc/85/56/22/409855622.db2.gz BZXSCLKBILBAMV-MMWGEVLESA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+][C@H]2CCNC2)C1 665241392 409855766 /nfs/dbraw/zinc/85/57/66/409855766.db2.gz LDKFMZSMZMDPKM-WISYIIOYSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+][C@H]1CCNC1)[C@H]1C[C@H]1C 665241177 409855827 /nfs/dbraw/zinc/85/58/27/409855827.db2.gz BZXSCLKBILBAMV-RCWTZXSCSA-N 1 3 182.311 1.373 20 0 ADADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1CC1 379601650 409855979 /nfs/dbraw/zinc/85/59/79/409855979.db2.gz MBECLRHISCZCIO-PWSUYJOCSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H](C[NH2+]Cc1cc[nH]c1)CN(C)C 379617554 409856006 /nfs/dbraw/zinc/85/60/06/409856006.db2.gz ALONAADFHJXVKI-JTQLQIEISA-N 1 3 195.310 1.302 20 0 ADADHO CC[C@H](C)CC[NH2+][C@H](C)C1CNC1 665238077 409856046 /nfs/dbraw/zinc/85/60/46/409856046.db2.gz QDSLKKNOTKMCQL-VHSXEESVSA-N 1 3 184.327 1.620 20 0 ADADHO C[C@H](NC[C@H](C)C[NH3+])c1ccncc1 379609498 409856188 /nfs/dbraw/zinc/85/61/88/409856188.db2.gz SGVJCAVSZQOGDC-ZJUUUORDSA-N 1 3 193.294 1.327 20 0 ADADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccncc1 379609497 409857498 /nfs/dbraw/zinc/85/74/98/409857498.db2.gz SGVJCAVSZQOGDC-UWVGGRQHSA-N 1 3 193.294 1.327 20 0 ADADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCNC1 665241925 409856373 /nfs/dbraw/zinc/85/63/73/409856373.db2.gz DWRRSINAUNLYEV-DCAQKATOSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@@H](C)CC[NH2+][C@@H](C)C1CNC1 665238078 409856502 /nfs/dbraw/zinc/85/65/02/409856502.db2.gz QDSLKKNOTKMCQL-ZJUUUORDSA-N 1 3 184.327 1.620 20 0 ADADHO CN(CC(C)(C)C[NH3+])CC1(C)CC1 379612669 409857162 /nfs/dbraw/zinc/85/71/62/409857162.db2.gz VWIMCJWQTAHLEF-UHFFFAOYSA-N 1 3 184.327 1.703 20 0 ADADHO CC[C@H](C)CC[NH2+][C@@H](C)C1CNC1 665238076 409857209 /nfs/dbraw/zinc/85/72/09/409857209.db2.gz QDSLKKNOTKMCQL-UWVGGRQHSA-N 1 3 184.327 1.620 20 0 ADADHO CC[C@@H](C)CC[NH2+][C@H](C)C1CNC1 665238075 409857277 /nfs/dbraw/zinc/85/72/77/409857277.db2.gz QDSLKKNOTKMCQL-NXEZZACHSA-N 1 3 184.327 1.620 20 0 ADADHO C1CC([C@H]2CC[C@H]2[NH2+][C@H]2CCNC2)C1 665241163 409857308 /nfs/dbraw/zinc/85/73/08/409857308.db2.gz AZTGQZOHLIXMHQ-QJPTWQEYSA-N 1 3 194.322 1.517 20 0 ADADHO CC[C@H]([NH2+][C@H]1CCNC1)[C@H]1C[C@@H]1C 665241176 409857459 /nfs/dbraw/zinc/85/74/59/409857459.db2.gz BZXSCLKBILBAMV-NAKRPEOUSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H](C[NH2+]Cc1cc[nH]c1)CN(C)C 379617555 409857478 /nfs/dbraw/zinc/85/74/78/409857478.db2.gz ALONAADFHJXVKI-SNVBAGLBSA-N 1 3 195.310 1.302 20 0 ADADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@H]2CCNC2)C1 665241393 409857483 /nfs/dbraw/zinc/85/74/83/409857483.db2.gz LDKFMZSMZMDPKM-WYUUTHIRSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)C1CC1 379601647 409857524 /nfs/dbraw/zinc/85/75/24/409857524.db2.gz MBECLRHISCZCIO-JQWIXIFHSA-N 1 3 198.354 1.962 20 0 ADADHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1CC1 379601651 409857607 /nfs/dbraw/zinc/85/76/07/409857607.db2.gz MBECLRHISCZCIO-ZYHUDNBSSA-N 1 3 198.354 1.962 20 0 ADADHO CC[C@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1 665242459 409857820 /nfs/dbraw/zinc/85/78/20/409857820.db2.gz YUJIHQASICKFNZ-SDDRHHMPSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]([NH2+][C@H]1CCNC1)[C@@H]1C[C@H]1C 665241178 409857981 /nfs/dbraw/zinc/85/79/81/409857981.db2.gz BZXSCLKBILBAMV-YTWAJWBKSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCNC1 665241926 409858063 /nfs/dbraw/zinc/85/80/63/409858063.db2.gz DWRRSINAUNLYEV-GARJFASQSA-N 1 3 196.338 1.763 20 0 ADADHO C1CC([C@H]2CC[C@@H]2[NH2+][C@H]2CCNC2)C1 665241164 409858232 /nfs/dbraw/zinc/85/82/32/409858232.db2.gz AZTGQZOHLIXMHQ-TUAOUCFPSA-N 1 3 194.322 1.517 20 0 ADADHO CC(C)(F)CCN[C@@H]1CCC[C@@H]1[NH3+] 665261940 409859865 /nfs/dbraw/zinc/85/98/65/409859865.db2.gz OYVOSRAOKJYVRK-DTWKUNHWSA-N 1 3 188.290 1.594 20 0 ADADHO C[C@H]1CCC[C@H](C)C1[NH2+][C@H]1CCNC1 665243342 409858779 /nfs/dbraw/zinc/85/87/79/409858779.db2.gz ADKQBMLIUZXIEI-DCAQKATOSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC1 665242460 409858810 /nfs/dbraw/zinc/85/88/10/409858810.db2.gz YUJIHQASICKFNZ-SRVKXCTJSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN(C)C 379627134 409859333 /nfs/dbraw/zinc/85/93/33/409859333.db2.gz KWHQSUKOBYCKDW-GRYCIOLGSA-N 1 3 198.354 1.962 20 0 ADADHO CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CCNC1 665244595 409859473 /nfs/dbraw/zinc/85/94/73/409859473.db2.gz RLTXLWDDLHLQPY-BBBLOLIVSA-N 1 3 170.300 1.373 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccoc1 665263958 409859596 /nfs/dbraw/zinc/85/95/96/409859596.db2.gz YYELXKLRUREGEC-UWVGGRQHSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccoc1 665263958 409859600 /nfs/dbraw/zinc/85/96/00/409859600.db2.gz YYELXKLRUREGEC-UWVGGRQHSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@@H](C[C@@H](C)[NH3+])NCCc1ccoc1 665263960 409859686 /nfs/dbraw/zinc/85/96/86/409859686.db2.gz YYELXKLRUREGEC-ZJUUUORDSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CCc1ccoc1 665263960 409859691 /nfs/dbraw/zinc/85/96/91/409859691.db2.gz YYELXKLRUREGEC-ZJUUUORDSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@H]([NH2+]CCC(C)(C)F)C1CNC1 665262387 409859791 /nfs/dbraw/zinc/85/97/91/409859791.db2.gz ZXQYSZWDXNISTH-QMMMGPOBSA-N 1 3 188.290 1.322 20 0 ADADHO C[C@H](NCCC(C)(C)F)C1C[NH2+]C1 665262387 409859799 /nfs/dbraw/zinc/85/97/99/409859799.db2.gz ZXQYSZWDXNISTH-QMMMGPOBSA-N 1 3 188.290 1.322 20 0 ADADHO CC[C@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 665243813 409860008 /nfs/dbraw/zinc/86/00/08/409860008.db2.gz YVKVSFLSKAOSQU-GARJFASQSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1C)CN(C)C 379627137 409860322 /nfs/dbraw/zinc/86/03/22/409860322.db2.gz KWHQSUKOBYCKDW-IJLUTSLNSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+]CCC(C)(C)F 665261509 409860505 /nfs/dbraw/zinc/86/05/05/409860505.db2.gz DZVIOFNQIVOJTH-IUCAKERBSA-N 1 3 190.306 1.840 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)NCCC(C)(C)F 665261509 409860513 /nfs/dbraw/zinc/86/05/13/409860513.db2.gz DZVIOFNQIVOJTH-IUCAKERBSA-N 1 3 190.306 1.840 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CCC(C)(C)F 665261508 409860533 /nfs/dbraw/zinc/86/05/33/409860533.db2.gz DZVIOFNQIVOJTH-DTWKUNHWSA-N 1 3 190.306 1.840 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)NCCC(C)(C)F 665261508 409860540 /nfs/dbraw/zinc/86/05/40/409860540.db2.gz DZVIOFNQIVOJTH-DTWKUNHWSA-N 1 3 190.306 1.840 20 0 ADADHO C[C@@H](C[C@@H](C)N)[NH2+]CCC(C)(C)F 665261507 409860718 /nfs/dbraw/zinc/86/07/18/409860718.db2.gz DZVIOFNQIVOJTH-BDAKNGLRSA-N 1 3 190.306 1.840 20 0 ADADHO C[C@@H](C[C@@H](C)[NH3+])NCCC(C)(C)F 665261507 409860727 /nfs/dbraw/zinc/86/07/27/409860727.db2.gz DZVIOFNQIVOJTH-BDAKNGLRSA-N 1 3 190.306 1.840 20 0 ADADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1C)CN(C)C 379627139 409860798 /nfs/dbraw/zinc/86/07/98/409860798.db2.gz KWHQSUKOBYCKDW-UTUOFQBUSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CCC(C)(C)F 665261510 409860800 /nfs/dbraw/zinc/86/08/00/409860800.db2.gz DZVIOFNQIVOJTH-RKDXNWHRSA-N 1 3 190.306 1.840 20 0 ADADHO C[C@@H]([NH3+])C[C@@H](C)NCCC(C)(C)F 665261510 409860805 /nfs/dbraw/zinc/86/08/05/409860805.db2.gz DZVIOFNQIVOJTH-RKDXNWHRSA-N 1 3 190.306 1.840 20 0 ADADHO CC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 665243812 409860903 /nfs/dbraw/zinc/86/09/03/409860903.db2.gz YVKVSFLSKAOSQU-DCAQKATOSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN(C)C 379627140 409861185 /nfs/dbraw/zinc/86/11/85/409861185.db2.gz KWHQSUKOBYCKDW-WOPDTQHZSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H]([NH2+]CCC(C)(C)F)C1CNC1 665262386 409861658 /nfs/dbraw/zinc/86/16/58/409861658.db2.gz ZXQYSZWDXNISTH-MRVPVSSYSA-N 1 3 188.290 1.322 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)NCCc1ccoc1 665263959 409861425 /nfs/dbraw/zinc/86/14/25/409861425.db2.gz YYELXKLRUREGEC-VHSXEESVSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+]CCc1ccoc1 665263959 409861431 /nfs/dbraw/zinc/86/14/31/409861431.db2.gz YYELXKLRUREGEC-VHSXEESVSA-N 1 3 196.294 1.538 20 0 ADADHO C[C@H](NCCc1ccoc1)C1C[NH2+]C1 665261674 409861465 /nfs/dbraw/zinc/86/14/65/409861465.db2.gz JHPLVSUOTBIYCB-VIFPVBQESA-N 1 3 194.278 1.020 20 0 ADADHO C[C@H]([NH2+]CCc1ccoc1)C1CNC1 665261674 409861477 /nfs/dbraw/zinc/86/14/77/409861477.db2.gz JHPLVSUOTBIYCB-VIFPVBQESA-N 1 3 194.278 1.020 20 0 ADADHO C[C@@H]([NH2+]CCCC1CCC1)C1CNC1 665266834 409861627 /nfs/dbraw/zinc/86/16/27/409861627.db2.gz KNJKNSIJTOHOEG-SNVBAGLBSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H](NCCC(C)(C)F)C1C[NH2+]C1 665262386 409861664 /nfs/dbraw/zinc/86/16/64/409861664.db2.gz ZXQYSZWDXNISTH-MRVPVSSYSA-N 1 3 188.290 1.322 20 0 ADADHO C[C@@H](NCCc1ccoc1)C1C[NH2+]C1 665261673 409861712 /nfs/dbraw/zinc/86/17/12/409861712.db2.gz JHPLVSUOTBIYCB-SECBINFHSA-N 1 3 194.278 1.020 20 0 ADADHO C[C@@H]([NH2+]CCc1ccoc1)C1CNC1 665261673 409861721 /nfs/dbraw/zinc/86/17/21/409861721.db2.gz JHPLVSUOTBIYCB-SECBINFHSA-N 1 3 194.278 1.020 20 0 ADADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccoc1 665263957 409861991 /nfs/dbraw/zinc/86/19/91/409861991.db2.gz YYELXKLRUREGEC-NXEZZACHSA-N 1 3 196.294 1.538 20 0 ADADHO CC(C)(F)CCN[C@@H]1CCC[C@H]1[NH3+] 665261942 409861931 /nfs/dbraw/zinc/86/19/31/409861931.db2.gz OYVOSRAOKJYVRK-RKDXNWHRSA-N 1 3 188.290 1.594 20 0 ADADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccoc1 665263957 409861982 /nfs/dbraw/zinc/86/19/82/409861982.db2.gz YYELXKLRUREGEC-NXEZZACHSA-N 1 3 196.294 1.538 20 0 ADADHO CC[C@@H](C)[C@H](C)[NH2+][C@H]1CCNC1 665244596 409862113 /nfs/dbraw/zinc/86/21/13/409862113.db2.gz RLTXLWDDLHLQPY-UTLUCORTSA-N 1 3 170.300 1.373 20 0 ADADHO CC(C)(F)CCN[C@H]1CCC[C@H]1[NH3+] 665261939 409862198 /nfs/dbraw/zinc/86/21/98/409862198.db2.gz OYVOSRAOKJYVRK-BDAKNGLRSA-N 1 3 188.290 1.594 20 0 ADADHO CNC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]1C 379646684 409862556 /nfs/dbraw/zinc/86/25/56/409862556.db2.gz YSMUAINLUORNAQ-DCAQKATOSA-N 1 3 182.311 1.326 20 0 ADADHO CC(C)(F)CCN[C@H]1CCC[C@@H]1[NH3+] 665261941 409862560 /nfs/dbraw/zinc/86/25/60/409862560.db2.gz OYVOSRAOKJYVRK-IUCAKERBSA-N 1 3 188.290 1.594 20 0 ADADHO CNC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]1C 379646684 409862564 /nfs/dbraw/zinc/86/25/64/409862564.db2.gz YSMUAINLUORNAQ-DCAQKATOSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@H]([NH2+]CCCC1CCC1)C1CNC1 665266833 409863132 /nfs/dbraw/zinc/86/31/32/409863132.db2.gz KNJKNSIJTOHOEG-JTQLQIEISA-N 1 3 196.338 1.764 20 0 ADADHO CNC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]1C 379646682 409863270 /nfs/dbraw/zinc/86/32/70/409863270.db2.gz YSMUAINLUORNAQ-AXFHLTTASA-N 1 3 182.311 1.326 20 0 ADADHO CNC[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]1C 379646682 409863273 /nfs/dbraw/zinc/86/32/73/409863273.db2.gz YSMUAINLUORNAQ-AXFHLTTASA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@H](NCC1=CCCC1)C1C[NH2+]C1 665273823 409863747 /nfs/dbraw/zinc/86/37/47/409863747.db2.gz DWNJCFGUIAIJDR-SECBINFHSA-N 1 3 180.295 1.294 20 0 ADADHO C[C@@H]([NH2+]CC1=CCCC1)C1CNC1 665273823 409863757 /nfs/dbraw/zinc/86/37/57/409863757.db2.gz DWNJCFGUIAIJDR-SECBINFHSA-N 1 3 180.295 1.294 20 0 ADADHO C[C@@H]([NH3+])C[C@@H](C)NCC1=CCCC1 665274030 409863904 /nfs/dbraw/zinc/86/39/04/409863904.db2.gz ILRVUCLTXXBDOI-NXEZZACHSA-N 1 3 182.311 1.812 20 0 ADADHO C[C@@H](N[C@@]1(C)CC1(C)C)C1C[NH2+]C1 665276153 409864071 /nfs/dbraw/zinc/86/40/71/409864071.db2.gz ZIGPNBBJNDJMJT-KCJUWKMLSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)C1CNC1 665276153 409864080 /nfs/dbraw/zinc/86/40/80/409864080.db2.gz ZIGPNBBJNDJMJT-KCJUWKMLSA-N 1 3 182.311 1.373 20 0 ADADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1=CCCC1 665273761 409864097 /nfs/dbraw/zinc/86/40/97/409864097.db2.gz CZHNOHOBFFWZND-NEPJUHHUSA-N 1 3 194.322 1.814 20 0 ADADHO [NH3+]C[C@H]1CCC[C@@H]1NCC1=CCCC1 665273761 409864106 /nfs/dbraw/zinc/86/41/06/409864106.db2.gz CZHNOHOBFFWZND-NEPJUHHUSA-N 1 3 194.322 1.814 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@@]1(C)CC1(C)C 665275339 409864125 /nfs/dbraw/zinc/86/41/25/409864125.db2.gz IFPBBZYXPWJCHH-QXEWZRGKSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)N[C@@]1(C)CC1(C)C 665275339 409864134 /nfs/dbraw/zinc/86/41/34/409864134.db2.gz IFPBBZYXPWJCHH-QXEWZRGKSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)NCC1=CCCC1 665274032 409864237 /nfs/dbraw/zinc/86/42/37/409864237.db2.gz ILRVUCLTXXBDOI-VHSXEESVSA-N 1 3 182.311 1.812 20 0 ADADHO C[C@H](N[C@@]1(C)CC1(C)C)C1C[NH2+]C1 665276154 409864358 /nfs/dbraw/zinc/86/43/58/409864358.db2.gz ZIGPNBBJNDJMJT-KWQFWETISA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H]([NH2+][C@@]1(C)CC1(C)C)C1CNC1 665276154 409864367 /nfs/dbraw/zinc/86/43/67/409864367.db2.gz ZIGPNBBJNDJMJT-KWQFWETISA-N 1 3 182.311 1.373 20 0 ADADHO CNC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@H]1C 379646691 409864535 /nfs/dbraw/zinc/86/45/35/409864535.db2.gz YSMUAINLUORNAQ-MXWKQRLJSA-N 1 3 182.311 1.326 20 0 ADADHO CNC[C@@H]1CCC[N@H+]1C[C@H]1C[C@H]1C 379646691 409864542 /nfs/dbraw/zinc/86/45/42/409864542.db2.gz YSMUAINLUORNAQ-MXWKQRLJSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@H](C[C@@H](C)[NH3+])NCC1=CCCC1 665274033 409864834 /nfs/dbraw/zinc/86/48/34/409864834.db2.gz ILRVUCLTXXBDOI-ZJUUUORDSA-N 1 3 182.311 1.812 20 0 ADADHO NC[C@H]1CCC[C@H]1[NH2+]CC1=CCCC1 665273764 409864887 /nfs/dbraw/zinc/86/48/87/409864887.db2.gz CZHNOHOBFFWZND-VXGBXAGGSA-N 1 3 194.322 1.814 20 0 ADADHO [NH3+]C[C@H]1CCC[C@H]1NCC1=CCCC1 665273764 409864892 /nfs/dbraw/zinc/86/48/92/409864892.db2.gz CZHNOHOBFFWZND-VXGBXAGGSA-N 1 3 194.322 1.814 20 0 ADADHO CNC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1C 379646695 409864895 /nfs/dbraw/zinc/86/48/95/409864895.db2.gz YSMUAINLUORNAQ-VWYCJHECSA-N 1 3 182.311 1.326 20 0 ADADHO CNC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1C 379646695 409864902 /nfs/dbraw/zinc/86/49/02/409864902.db2.gz YSMUAINLUORNAQ-VWYCJHECSA-N 1 3 182.311 1.326 20 0 ADADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1=CCCC1 665273763 409864956 /nfs/dbraw/zinc/86/49/56/409864956.db2.gz CZHNOHOBFFWZND-RYUDHWBXSA-N 1 3 194.322 1.814 20 0 ADADHO [NH3+]C[C@@H]1CCC[C@@H]1NCC1=CCCC1 665273763 409864965 /nfs/dbraw/zinc/86/49/65/409864965.db2.gz CZHNOHOBFFWZND-RYUDHWBXSA-N 1 3 194.322 1.814 20 0 ADADHO [NH3+][C@@H]1CCC[C@@H](NCC2=CCCC2)C1 665273869 409865178 /nfs/dbraw/zinc/86/51/78/409865178.db2.gz FWKWXUQKXBSEIU-VXGBXAGGSA-N 1 3 194.322 1.956 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)NCC1=CCCC1 665274031 409865203 /nfs/dbraw/zinc/86/52/03/409865203.db2.gz ILRVUCLTXXBDOI-UWVGGRQHSA-N 1 3 182.311 1.812 20 0 ADADHO C[C@@H](N[C@]1(C)CC1(C)C)C1C[NH2+]C1 665276155 409865349 /nfs/dbraw/zinc/86/53/49/409865349.db2.gz ZIGPNBBJNDJMJT-LDYMZIIASA-N 1 3 182.311 1.373 20 0 ADADHO C[C@@H]([NH2+][C@]1(C)CC1(C)C)C1CNC1 665276155 409865350 /nfs/dbraw/zinc/86/53/50/409865350.db2.gz ZIGPNBBJNDJMJT-LDYMZIIASA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H](N)C[C@H](C)[NH2+][C@]1(C)CC1(C)C 665275336 409865498 /nfs/dbraw/zinc/86/54/98/409865498.db2.gz IFPBBZYXPWJCHH-ATZCPNFKSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)N[C@]1(C)CC1(C)C 665275336 409865499 /nfs/dbraw/zinc/86/54/99/409865499.db2.gz IFPBBZYXPWJCHH-ATZCPNFKSA-N 1 3 184.327 1.890 20 0 ADADHO C[C@H](N[C@]1(C)CC1(C)C)C1C[NH2+]C1 665276152 409865759 /nfs/dbraw/zinc/86/57/59/409865759.db2.gz ZIGPNBBJNDJMJT-GZMMTYOYSA-N 1 3 182.311 1.373 20 0 ADADHO C[C@H]([NH2+][C@]1(C)CC1(C)C)C1CNC1 665276152 409865766 /nfs/dbraw/zinc/86/57/66/409865766.db2.gz ZIGPNBBJNDJMJT-GZMMTYOYSA-N 1 3 182.311 1.373 20 0 ADADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1=CCCC1 665273762 409865802 /nfs/dbraw/zinc/86/58/02/409865802.db2.gz CZHNOHOBFFWZND-NWDGAFQWSA-N 1 3 194.322 1.814 20 0 ADADHO [NH3+]C[C@@H]1CCC[C@H]1NCC1=CCCC1 665273762 409865805 /nfs/dbraw/zinc/86/58/05/409865805.db2.gz CZHNOHOBFFWZND-NWDGAFQWSA-N 1 3 194.322 1.814 20 0 ADADHO C[C@H](NCC1=CCCC1)C1C[NH2+]C1 665273824 409866035 /nfs/dbraw/zinc/86/60/35/409866035.db2.gz DWNJCFGUIAIJDR-VIFPVBQESA-N 1 3 180.295 1.294 20 0 ADADHO C[C@H]([NH2+]CC1=CCCC1)C1CNC1 665273824 409866042 /nfs/dbraw/zinc/86/60/42/409866042.db2.gz DWNJCFGUIAIJDR-VIFPVBQESA-N 1 3 180.295 1.294 20 0 ADADHO C[C@H](N)C[C@@H](C)[NH2+][C@]1(C)CC1(C)C 665275337 409866456 /nfs/dbraw/zinc/86/64/56/409866456.db2.gz IFPBBZYXPWJCHH-IQJOONFLSA-N 1 3 184.327 1.890 20 0 ADADHO [NH3+][C@H]1CCC[C@@H](NCC2=CCCC2)C1 665273867 409866370 /nfs/dbraw/zinc/86/63/70/409866370.db2.gz FWKWXUQKXBSEIU-NWDGAFQWSA-N 1 3 194.322 1.956 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)N[C@]1(C)CC1(C)C 665275337 409866462 /nfs/dbraw/zinc/86/64/62/409866462.db2.gz IFPBBZYXPWJCHH-IQJOONFLSA-N 1 3 184.327 1.890 20 0 ADADHO [NH3+][C@H]1CCC[C@H](NCC2=CCCC2)C1 665273868 409866782 /nfs/dbraw/zinc/86/67/82/409866782.db2.gz FWKWXUQKXBSEIU-RYUDHWBXSA-N 1 3 194.322 1.956 20 0 ADADHO [NH3+][C@@H]1CCC[C@H](NCC2=CCCC2)C1 665273866 409866815 /nfs/dbraw/zinc/86/68/15/409866815.db2.gz FWKWXUQKXBSEIU-NEPJUHHUSA-N 1 3 194.322 1.956 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)N[C@@]1(C)CC1(C)C 665275338 409866894 /nfs/dbraw/zinc/86/68/94/409866894.db2.gz IFPBBZYXPWJCHH-NGZCFLSTSA-N 1 3 184.327 1.890 20 0 ADADHO CC[C@@H](N[C@@H](C)C[NH2+]C)C(C)C 665293825 409867871 /nfs/dbraw/zinc/86/78/71/409867871.db2.gz DINVKNPIZNQXAU-VHSXEESVSA-N 1 3 172.316 1.619 20 0 ADADHO CC[C@H](N[C@H](C)C[NH2+]C)C(C)C 665293826 409868047 /nfs/dbraw/zinc/86/80/47/409868047.db2.gz DINVKNPIZNQXAU-ZJUUUORDSA-N 1 3 172.316 1.619 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@H]1CCN 380008447 409868692 /nfs/dbraw/zinc/86/86/92/409868692.db2.gz LPIPBXKGQLEUII-UTUOFQBUSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@H]1CCN 380008447 409868704 /nfs/dbraw/zinc/86/87/04/409868704.db2.gz LPIPBXKGQLEUII-UTUOFQBUSA-N 1 3 196.338 1.846 20 0 ADADHO C[NH2+]C[C@@H]1CCCN(CC2(C)CC2)C1 379996218 409868946 /nfs/dbraw/zinc/86/89/46/409868946.db2.gz JNNVQNLDWPKPIA-NSHDSACASA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@@H]1CCN 380008048 409869559 /nfs/dbraw/zinc/86/95/59/409869559.db2.gz LPIPBXKGQLEUII-GRYCIOLGSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1CCN 380008048 409869562 /nfs/dbraw/zinc/86/95/62/409869562.db2.gz LPIPBXKGQLEUII-GRYCIOLGSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H](N[C@H](C)C[NH2+]C)C(C)C 665293823 409869605 /nfs/dbraw/zinc/86/96/05/409869605.db2.gz DINVKNPIZNQXAU-NXEZZACHSA-N 1 3 172.316 1.619 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@@H]1CCN 380008442 409869686 /nfs/dbraw/zinc/86/96/86/409869686.db2.gz LPIPBXKGQLEUII-IJLUTSLNSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]1CCN 380008442 409869692 /nfs/dbraw/zinc/86/96/92/409869692.db2.gz LPIPBXKGQLEUII-IJLUTSLNSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@H](N[C@@H](C)C[NH2+]C)C(C)C 665293824 409870363 /nfs/dbraw/zinc/87/03/63/409870363.db2.gz DINVKNPIZNQXAU-UWVGGRQHSA-N 1 3 172.316 1.619 20 0 ADADHO C[NH2+]C[C@H]1CCCN(CC2(C)CC2)C1 379996214 409870397 /nfs/dbraw/zinc/87/03/97/409870397.db2.gz JNNVQNLDWPKPIA-LLVKDONJSA-N 1 3 196.338 1.718 20 0 ADADHO C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@H]1CCN 380008454 409870884 /nfs/dbraw/zinc/87/08/84/409870884.db2.gz LPIPBXKGQLEUII-WOPDTQHZSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1CCN 380008454 409870888 /nfs/dbraw/zinc/87/08/88/409870888.db2.gz LPIPBXKGQLEUII-WOPDTQHZSA-N 1 3 196.338 1.846 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CCCC12CCC2 665297802 409871457 /nfs/dbraw/zinc/87/14/57/409871457.db2.gz LXICSVDHNLIGFC-QWRGUYRKSA-N 1 3 196.338 1.907 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@H]1CCCC12CCC2 665297801 409871477 /nfs/dbraw/zinc/87/14/77/409871477.db2.gz LXICSVDHNLIGFC-MNOVXSKESA-N 1 3 196.338 1.907 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H](C)C(C)(C)C 665295998 409871500 /nfs/dbraw/zinc/87/15/00/409871500.db2.gz LMMKABFMDJGIOO-IUCAKERBSA-N 1 3 172.316 1.619 20 0 ADADHO C[NH2+]C[C@@H](C)NC(C1CC1)C1CC1 665295516 409871540 /nfs/dbraw/zinc/87/15/40/409871540.db2.gz FMIZODODISYLAP-MRVPVSSYSA-N 1 3 182.311 1.373 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H](C)C1CCCC1 665296331 409871574 /nfs/dbraw/zinc/87/15/74/409871574.db2.gz QYEPXHOTPZEPRL-VHSXEESVSA-N 1 3 184.327 1.763 20 0 ADADHO CN(CCC[NH3+])Cc1cccc(N)c1 380113150 409871755 /nfs/dbraw/zinc/87/17/55/409871755.db2.gz OSVCXAPWUMVQDJ-UHFFFAOYSA-N 1 3 193.294 1.049 20 0 ADADHO CC[C@@H]1CC[C@H]1N[C@@H](C)C[NH2+]C 665297369 409871834 /nfs/dbraw/zinc/87/18/34/409871834.db2.gz DVBPSDSKNAOIMI-IVZWLZJFSA-N 1 3 170.300 1.373 20 0 ADADHO CC[C@@H]1CCC[C@@H]1N[C@H](C)C[NH2+]C 665295885 409871908 /nfs/dbraw/zinc/87/19/08/409871908.db2.gz KXPAGMJZSNOJAS-MXWKQRLJSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@H](C)C(C)(C)C 665296001 409871926 /nfs/dbraw/zinc/87/19/26/409871926.db2.gz LMMKABFMDJGIOO-RKDXNWHRSA-N 1 3 172.316 1.619 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@H](C)C1CCCC1 665296329 409871947 /nfs/dbraw/zinc/87/19/47/409871947.db2.gz QYEPXHOTPZEPRL-NXEZZACHSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@@H]1CCCC12CCC2 665297800 409872023 /nfs/dbraw/zinc/87/20/23/409872023.db2.gz LXICSVDHNLIGFC-GHMZBOCLSA-N 1 3 196.338 1.907 20 0 ADADHO C[NH2+]C[C@H](C)NC(C1CC1)C1CC1 665295517 409872116 /nfs/dbraw/zinc/87/21/16/409872116.db2.gz FMIZODODISYLAP-QMMMGPOBSA-N 1 3 182.311 1.373 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H](C)C(C)(C)C 665295997 409872308 /nfs/dbraw/zinc/87/23/08/409872308.db2.gz LMMKABFMDJGIOO-DTWKUNHWSA-N 1 3 172.316 1.619 20 0 ADADHO CC[C@@H]1CC[C@@H]1N[C@H](C)C[NH2+]C 665297368 409872406 /nfs/dbraw/zinc/87/24/06/409872406.db2.gz DVBPSDSKNAOIMI-BBBLOLIVSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@H](C)NC1CCC2(CC1)CC2 665297523 409872459 /nfs/dbraw/zinc/87/24/59/409872459.db2.gz HRDRCLTZSGZDPH-JTQLQIEISA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H](N[C@@H](C)C[NH2+]C)C1CC1 665296676 409872524 /nfs/dbraw/zinc/87/25/24/409872524.db2.gz WETDWEVLTUMSMT-WPRPVWTQSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@@H](C)C1CCCC1 665296332 409872558 /nfs/dbraw/zinc/87/25/58/409872558.db2.gz QYEPXHOTPZEPRL-ZJUUUORDSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@@H]1CCC[C@H]1N[C@@H](C)C[NH2+]C 665295884 409873272 /nfs/dbraw/zinc/87/32/72/409873272.db2.gz KXPAGMJZSNOJAS-HBNTYKKESA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@@H]1CC[C@H]1N[C@H](C)C[NH2+]C 665297370 409872747 /nfs/dbraw/zinc/87/27/47/409872747.db2.gz DVBPSDSKNAOIMI-OPRDCNLKSA-N 1 3 170.300 1.373 20 0 ADADHO CC[C@@H]1CCC[C@H]1N[C@H](C)C[NH2+]C 665295883 409872763 /nfs/dbraw/zinc/87/27/63/409872763.db2.gz KXPAGMJZSNOJAS-GMTAPVOTSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@@H](N[C@@H](C)C[NH2+]C)C1CC1 665296675 409872798 /nfs/dbraw/zinc/87/27/98/409872798.db2.gz WETDWEVLTUMSMT-WCBMZHEXSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@@H](C)NC1CCC2(CC1)CC2 665297524 409872893 /nfs/dbraw/zinc/87/28/93/409872893.db2.gz HRDRCLTZSGZDPH-SNVBAGLBSA-N 1 3 196.338 1.907 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CCCC12CCC2 665297803 409872973 /nfs/dbraw/zinc/87/29/73/409872973.db2.gz LXICSVDHNLIGFC-WDEREUQCSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H](N[C@H](C)C[NH2+]C)C1CC1 665296673 409873295 /nfs/dbraw/zinc/87/32/95/409873295.db2.gz WETDWEVLTUMSMT-PSASIEDQSA-N 1 3 170.300 1.373 20 0 ADADHO CC[C@@H]1CC[C@@H]1N[C@@H](C)C[NH2+]C 665297367 409873474 /nfs/dbraw/zinc/87/34/74/409873474.db2.gz DVBPSDSKNAOIMI-AEJSXWLSSA-N 1 3 170.300 1.373 20 0 ADADHO CC[C@@H]1CCC[C@@H]1N[C@@H](C)C[NH2+]C 665295882 409873604 /nfs/dbraw/zinc/87/36/04/409873604.db2.gz KXPAGMJZSNOJAS-AXFHLTTASA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](N[C@H](C)C[NH2+]C)C1CC1 665296674 409873733 /nfs/dbraw/zinc/87/37/33/409873733.db2.gz WETDWEVLTUMSMT-SCZZXKLOSA-N 1 3 170.300 1.373 20 0 ADADHO C[NH2+]C[C@@H](C)N[C@@H](C)C(C)(C)C 665295996 409873789 /nfs/dbraw/zinc/87/37/89/409873789.db2.gz LMMKABFMDJGIOO-BDAKNGLRSA-N 1 3 172.316 1.619 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H](C)C1CCCC1 665296330 409874018 /nfs/dbraw/zinc/87/40/18/409874018.db2.gz QYEPXHOTPZEPRL-UWVGGRQHSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](N[C@@H](C)C[NH2+]C)C1CCC1 665298682 409875526 /nfs/dbraw/zinc/87/55/26/409875526.db2.gz ZVAVUFJQKGHNFM-ONGXEEELSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CC[C@H]1C1CCC1 665298060 409875213 /nfs/dbraw/zinc/87/52/13/409875213.db2.gz RAOYECOQADLDOD-DLOVCJGASA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@@H](N[C@@H](C)C[NH2+]C)C1CCC1 665298679 409875269 /nfs/dbraw/zinc/87/52/69/409875269.db2.gz ZVAVUFJQKGHNFM-GXSJLCMTSA-N 1 3 184.327 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H]1C1CCC1 665298063 409875361 /nfs/dbraw/zinc/87/53/61/409875361.db2.gz RAOYECOQADLDOD-ZMLRMANQSA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](N[C@H](C)C[NH2+]C)C1CCC1 665298680 409875620 /nfs/dbraw/zinc/87/56/20/409875620.db2.gz ZVAVUFJQKGHNFM-KOLCDFICSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](N[C@H](C)C[NH2+]C)[C@@H]1C[C@H]1C 665300047 409875917 /nfs/dbraw/zinc/87/59/17/409875917.db2.gz XKULBCBQXZGKQJ-DBIOUOCHSA-N 1 3 184.327 1.619 20 0 ADADHO CC[C@H](N[C@H](C)C[NH2+]C)[C@H]1C[C@H]1C 665300050 409876013 /nfs/dbraw/zinc/87/60/13/409876013.db2.gz XKULBCBQXZGKQJ-ZNSHCXBVSA-N 1 3 184.327 1.619 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H]1C1CCC1 665298061 409876183 /nfs/dbraw/zinc/87/61/83/409876183.db2.gz RAOYECOQADLDOD-MVWJERBFSA-N 1 3 196.338 1.763 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CC[C@@H]1C1CCC1 665298062 409876196 /nfs/dbraw/zinc/87/61/96/409876196.db2.gz RAOYECOQADLDOD-WCQGTBRESA-N 1 3 196.338 1.763 20 0 ADADHO CC[C@H](N[C@H](C)C[NH2+]C)[C@@H]1C[C@@H]1C 665300049 409876269 /nfs/dbraw/zinc/87/62/69/409876269.db2.gz XKULBCBQXZGKQJ-ZDCRXTMVSA-N 1 3 184.327 1.619 20 0 ADADHO CC[C@@H](N[C@H](C)C[NH2+]C)C1CCC1 665298681 409876702 /nfs/dbraw/zinc/87/67/02/409876702.db2.gz ZVAVUFJQKGHNFM-MWLCHTKSSA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H](N[C@H](C)C[NH2+]C)[C@H]1C[C@@H]1C 665300048 409876997 /nfs/dbraw/zinc/87/69/97/409876997.db2.gz XKULBCBQXZGKQJ-VLEAKVRGSA-N 1 3 184.327 1.619 20 0 ADADHO CNCCC[N@@H+]1CC[C@@H](C)[C@H]1C 380750905 409878639 /nfs/dbraw/zinc/87/86/39/409878639.db2.gz NCESVLDZMJAARR-NXEZZACHSA-N 1 3 170.300 1.326 20 0 ADADHO CNCCC[N@H+]1CC[C@@H](C)[C@H]1C 380750905 409878647 /nfs/dbraw/zinc/87/86/47/409878647.db2.gz NCESVLDZMJAARR-NXEZZACHSA-N 1 3 170.300 1.326 20 0 ADADHO CNCCC[N@@H+]1CC[C@H](C)[C@@H]1C 380750907 409879203 /nfs/dbraw/zinc/87/92/03/409879203.db2.gz NCESVLDZMJAARR-UWVGGRQHSA-N 1 3 170.300 1.326 20 0 ADADHO CNCCC[N@H+]1CC[C@H](C)[C@@H]1C 380750907 409879209 /nfs/dbraw/zinc/87/92/09/409879209.db2.gz NCESVLDZMJAARR-UWVGGRQHSA-N 1 3 170.300 1.326 20 0 ADADHO CNCCC[N@H+]1CC[C@@H](C)[C@@H]1C 380750909 409879281 /nfs/dbraw/zinc/87/92/81/409879281.db2.gz NCESVLDZMJAARR-ZJUUUORDSA-N 1 3 170.300 1.326 20 0 ADADHO CNCCC[N@@H+]1CC[C@H](C)[C@H]1C 380750908 409879888 /nfs/dbraw/zinc/87/98/88/409879888.db2.gz NCESVLDZMJAARR-VHSXEESVSA-N 1 3 170.300 1.326 20 0 ADADHO CNCCC[N@H+]1CC[C@H](C)[C@H]1C 380750908 409879892 /nfs/dbraw/zinc/87/98/92/409879892.db2.gz NCESVLDZMJAARR-VHSXEESVSA-N 1 3 170.300 1.326 20 0 ADADHO Cc1cc([C@@H](C)[NH2+]CCN)cs1 381849100 409883782 /nfs/dbraw/zinc/88/37/82/409883782.db2.gz ZENMZIUTXQPTHG-MRVPVSSYSA-N 1 3 184.308 1.666 20 0 ADADHO C[N@@H+](CCCN)CC1(C)CC1 381978335 409885125 /nfs/dbraw/zinc/88/51/25/409885125.db2.gz FPUNYQHMXSYESI-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO COCCCCC[N@H+](C)CCCN 381629063 409884712 /nfs/dbraw/zinc/88/47/12/409884712.db2.gz MLWGXCSVASQLHR-UHFFFAOYSA-N 1 3 188.315 1.084 20 0 ADADHO COCCCCC[N@@H+](C)CCCN 381629063 409884717 /nfs/dbraw/zinc/88/47/17/409884717.db2.gz MLWGXCSVASQLHR-UHFFFAOYSA-N 1 3 188.315 1.084 20 0 ADADHO COCCCCCN(C)CCC[NH3+] 381629063 409884721 /nfs/dbraw/zinc/88/47/21/409884721.db2.gz MLWGXCSVASQLHR-UHFFFAOYSA-N 1 3 188.315 1.084 20 0 ADADHO CN(CCC[NH3+])CC1(C)CC1 381978335 409885115 /nfs/dbraw/zinc/88/51/15/409885115.db2.gz FPUNYQHMXSYESI-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO C[N@H+](CCCN)CC1(C)CC1 381978335 409885121 /nfs/dbraw/zinc/88/51/21/409885121.db2.gz FPUNYQHMXSYESI-UHFFFAOYSA-N 1 3 156.273 1.067 20 0 ADADHO Cc1cc([C@H](C)[NH2+]CCN)cs1 381849124 409885819 /nfs/dbraw/zinc/88/58/19/409885819.db2.gz ZENMZIUTXQPTHG-QMMMGPOBSA-N 1 3 184.308 1.666 20 0 ADADHO C[N@@H+](CCC1CCCC1)C1CC(N)C1 384920285 409918672 /nfs/dbraw/zinc/91/86/72/409918672.db2.gz ZREWBIAFVWUOQR-UHFFFAOYSA-N 1 3 196.338 1.988 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CN 388177141 409948488 /nfs/dbraw/zinc/94/84/88/409948488.db2.gz ITYWDVSAVPDBPM-WISYIIOYSA-N 1 3 196.338 1.750 20 0 ADADHO CC(C)[C@@H](C)[NH2+]CCCNC1CC1 382577333 409905803 /nfs/dbraw/zinc/90/58/03/409905803.db2.gz HGSQMMGHNFRWNN-SNVBAGLBSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H]([NH2+]CCCNC1CC1)C1CC1 382550703 409906012 /nfs/dbraw/zinc/90/60/12/409906012.db2.gz FYHJJKCDCKJLTA-VIFPVBQESA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]([NH2+]CCCNC1CC1)C1CC1 382585422 409906654 /nfs/dbraw/zinc/90/66/54/409906654.db2.gz SBTKZCUXDIYJJP-GFCCVEGCSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)[C@H](C)[NH2+]CCCNC1CC1 382577332 409906946 /nfs/dbraw/zinc/90/69/46/409906946.db2.gz HGSQMMGHNFRWNN-JTQLQIEISA-N 1 3 184.327 1.763 20 0 ADADHO CC[C@H]([NH2+][C@H]1CCNC1)C1CCCC1 382779771 409907083 /nfs/dbraw/zinc/90/70/83/409907083.db2.gz FTWOVAQHWABDMF-RYUDHWBXSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+]CCCNC1CC1)C1CC1 382550701 409908216 /nfs/dbraw/zinc/90/82/16/409908216.db2.gz FYHJJKCDCKJLTA-SECBINFHSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@H]([NH2+]CCCNC1CC1)C1CC1 382585423 409908289 /nfs/dbraw/zinc/90/82/89/409908289.db2.gz SBTKZCUXDIYJJP-LBPRGKRZSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]([NH2+][C@H]1CCNC1)C1CCCC1 382779766 409908338 /nfs/dbraw/zinc/90/83/38/409908338.db2.gz FTWOVAQHWABDMF-NWDGAFQWSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@H]1[C@H](C)CC[N@@H+]1CCCNC 384128409 409909830 /nfs/dbraw/zinc/90/98/30/409909830.db2.gz QADBATIMCCOGQB-MNOVXSKESA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@H]1[C@H](C)CC[N@H+]1CCCNC 384128409 409909842 /nfs/dbraw/zinc/90/98/42/409909842.db2.gz QADBATIMCCOGQB-MNOVXSKESA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCNC 384128413 409910407 /nfs/dbraw/zinc/91/04/07/409910407.db2.gz QADBATIMCCOGQB-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H]1[C@@H](C)CC[N@H+]1CCCNC 384128413 409910411 /nfs/dbraw/zinc/91/04/11/409910411.db2.gz QADBATIMCCOGQB-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H]1[C@H](C)CC[N@@H+]1CCCNC 384128408 409910459 /nfs/dbraw/zinc/91/04/59/409910459.db2.gz QADBATIMCCOGQB-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H]1[C@H](C)CC[N@H+]1CCCNC 384128408 409910465 /nfs/dbraw/zinc/91/04/65/409910465.db2.gz QADBATIMCCOGQB-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CC(C)CCCN(C)C1CC([NH3+])C1 384755598 409912575 /nfs/dbraw/zinc/91/25/75/409912575.db2.gz PBOCAJAJBOFJNA-UHFFFAOYSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)CCC[N@H+](C)C1CC(N)C1 384755598 409912580 /nfs/dbraw/zinc/91/25/80/409912580.db2.gz PBOCAJAJBOFJNA-UHFFFAOYSA-N 1 3 184.327 1.844 20 0 ADADHO CC(C)CCC[N@@H+](C)C1CC(N)C1 384755598 409912584 /nfs/dbraw/zinc/91/25/84/409912584.db2.gz PBOCAJAJBOFJNA-UHFFFAOYSA-N 1 3 184.327 1.844 20 0 ADADHO CCC(CC)CN(C)C1CC([NH3+])C1 384760499 409914496 /nfs/dbraw/zinc/91/44/96/409914496.db2.gz QAJQOHORIRDBDR-UHFFFAOYSA-N 1 3 184.327 1.844 20 0 ADADHO CN(CCC1CCCC1)C1CC([NH3+])C1 384920285 409918664 /nfs/dbraw/zinc/91/86/64/409918664.db2.gz ZREWBIAFVWUOQR-UHFFFAOYSA-N 1 3 196.338 1.988 20 0 ADADHO C[N@H+](CCC1CCCC1)C1CC(N)C1 384920285 409918670 /nfs/dbraw/zinc/91/86/70/409918670.db2.gz ZREWBIAFVWUOQR-UHFFFAOYSA-N 1 3 196.338 1.988 20 0 ADADHO CN(CCCCCF)C1CC([NH3+])C1 384912371 409920182 /nfs/dbraw/zinc/92/01/82/409920182.db2.gz YROXZQOLRGRMMK-UHFFFAOYSA-N 1 3 188.290 1.548 20 0 ADADHO C[N@H+](CCCCCF)C1CC(N)C1 384912371 409920190 /nfs/dbraw/zinc/92/01/90/409920190.db2.gz YROXZQOLRGRMMK-UHFFFAOYSA-N 1 3 188.290 1.548 20 0 ADADHO C[N@@H+](CCCCCF)C1CC(N)C1 384912371 409920196 /nfs/dbraw/zinc/92/01/96/409920196.db2.gz YROXZQOLRGRMMK-UHFFFAOYSA-N 1 3 188.290 1.548 20 0 ADADHO CC/C=C/C[NH2+]C1CCNCC1 385003456 409922732 /nfs/dbraw/zinc/92/27/32/409922732.db2.gz MGFSPIBDNADTFR-ONEGZZNKSA-N 1 3 168.284 1.294 20 0 ADADHO CC/C=C\C[NH2+]C1CCNCC1 385003455 409923046 /nfs/dbraw/zinc/92/30/46/409923046.db2.gz MGFSPIBDNADTFR-ARJAWSKDSA-N 1 3 168.284 1.294 20 0 ADADHO CC/C=C/CN[C@@H]1CCC[C@@H]1C[NH3+] 385148243 409927285 /nfs/dbraw/zinc/92/72/85/409927285.db2.gz JPTXGIJJNNTIIP-YIZUVKHSSA-N 1 3 182.311 1.670 20 0 ADADHO CC/C=C/C[NH2+][C@@H]1CCC[C@@H]1CN 385148243 409927291 /nfs/dbraw/zinc/92/72/91/409927291.db2.gz JPTXGIJJNNTIIP-YIZUVKHSSA-N 1 3 182.311 1.670 20 0 ADADHO CC/C=C\CN[C@@H]1CCC[C@@H]1C[NH3+] 385148240 409927762 /nfs/dbraw/zinc/92/77/62/409927762.db2.gz JPTXGIJJNNTIIP-ANDSXOESSA-N 1 3 182.311 1.670 20 0 ADADHO CC/C=C\C[NH2+][C@@H]1CCC[C@@H]1CN 385148240 409927768 /nfs/dbraw/zinc/92/77/68/409927768.db2.gz JPTXGIJJNNTIIP-ANDSXOESSA-N 1 3 182.311 1.670 20 0 ADADHO CC/C=C\CN[C@@H]1CCC[C@H]1C[NH3+] 385148241 409928381 /nfs/dbraw/zinc/92/83/81/409928381.db2.gz JPTXGIJJNNTIIP-CBZSPVTBSA-N 1 3 182.311 1.670 20 0 ADADHO CC/C=C\C[NH2+][C@@H]1CCC[C@H]1CN 385148241 409928388 /nfs/dbraw/zinc/92/83/88/409928388.db2.gz JPTXGIJJNNTIIP-CBZSPVTBSA-N 1 3 182.311 1.670 20 0 ADADHO CC/C=C/CN[C@@H]1CCC[C@H]1C[NH3+] 385148242 409928742 /nfs/dbraw/zinc/92/87/42/409928742.db2.gz JPTXGIJJNNTIIP-MJKAUQOVSA-N 1 3 182.311 1.670 20 0 ADADHO CC/C=C/C[NH2+][C@@H]1CCC[C@H]1CN 385148242 409928746 /nfs/dbraw/zinc/92/87/46/409928746.db2.gz JPTXGIJJNNTIIP-MJKAUQOVSA-N 1 3 182.311 1.670 20 0 ADADHO C[C@@H](N(C)C[C@@H]1CC[NH2+]C1)C1(C)CC1 385536375 409929775 /nfs/dbraw/zinc/92/97/75/409929775.db2.gz BRYPTCWLYIGCBX-GHMZBOCLSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H](N(C)C[C@H]1CC[NH2+]C1)C1(C)CC1 385536379 409929987 /nfs/dbraw/zinc/92/99/87/409929987.db2.gz BRYPTCWLYIGCBX-QWRGUYRKSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H](N(C)C[C@H]1CC[NH2+]C1)C1(C)CC1 385536377 409930377 /nfs/dbraw/zinc/93/03/77/409930377.db2.gz BRYPTCWLYIGCBX-MNOVXSKESA-N 1 3 196.338 1.716 20 0 ADADHO C[C@H](N(C)C[C@@H]1CC[NH2+]C1)C1(C)CC1 385536383 409931152 /nfs/dbraw/zinc/93/11/52/409931152.db2.gz BRYPTCWLYIGCBX-WDEREUQCSA-N 1 3 196.338 1.716 20 0 ADADHO C[C@@H](NCCC1CC1)[C@@H]1CCCC[NH2+]1 385977584 409931456 /nfs/dbraw/zinc/93/14/56/409931456.db2.gz CIBPJHUAXCRBRG-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](NCCC1CC1)[C@H]1CCCC[NH2+]1 385977587 409931555 /nfs/dbraw/zinc/93/15/55/409931555.db2.gz CIBPJHUAXCRBRG-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](NCCC1CC1)[C@@H]1CCCC[NH2+]1 385977581 409931610 /nfs/dbraw/zinc/93/16/10/409931610.db2.gz CIBPJHUAXCRBRG-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](NCCC1CC1)[C@H]1CCCC[NH2+]1 385977578 409931741 /nfs/dbraw/zinc/93/17/41/409931741.db2.gz CIBPJHUAXCRBRG-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO CCCN[C@H](C)[C@@H]1CCCC[NH2+]1 386384012 409933456 /nfs/dbraw/zinc/93/34/56/409933456.db2.gz DMKKQWWRXCKISD-ZJUUUORDSA-N 1 3 170.300 1.517 20 0 ADADHO C[C@H](N[C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 386160652 409933482 /nfs/dbraw/zinc/93/34/82/409933482.db2.gz UTEXDKWVXXTZJR-NHCYSSNCSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](NCC1CCC1)[C@H]1CCCC[NH2+]1 386129966 409933782 /nfs/dbraw/zinc/93/37/82/409933782.db2.gz OJJZMSMLRDSAQM-CMPLNLGQSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H](NCC1CCC1)[C@H]1CCCC[NH2+]1 386129969 409933945 /nfs/dbraw/zinc/93/39/45/409933945.db2.gz OJJZMSMLRDSAQM-ZYHUDNBSSA-N 1 3 196.338 1.907 20 0 ADADHO CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 386384009 409934084 /nfs/dbraw/zinc/93/40/84/409934084.db2.gz DMKKQWWRXCKISD-UWVGGRQHSA-N 1 3 170.300 1.517 20 0 ADADHO C[C@@H](NCC1CCC1)[C@@H]1CCCC[NH2+]1 386129968 409934126 /nfs/dbraw/zinc/93/41/26/409934126.db2.gz OJJZMSMLRDSAQM-PWSUYJOCSA-N 1 3 196.338 1.907 20 0 ADADHO CCCN[C@H](C)[C@H]1CCCC[NH2+]1 386384008 409934264 /nfs/dbraw/zinc/93/42/64/409934264.db2.gz DMKKQWWRXCKISD-NXEZZACHSA-N 1 3 170.300 1.517 20 0 ADADHO C[C@H](N[C@@H](C)[C@H]1CCCC[NH2+]1)C1CC1 386160651 409934716 /nfs/dbraw/zinc/93/47/16/409934716.db2.gz UTEXDKWVXXTZJR-JBLDHEPKSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](NCC1CCC1)[C@@H]1CCCC[NH2+]1 386129967 409934977 /nfs/dbraw/zinc/93/49/77/409934977.db2.gz OJJZMSMLRDSAQM-JQWIXIFHSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H](N[C@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 386160653 409935453 /nfs/dbraw/zinc/93/54/53/409935453.db2.gz UTEXDKWVXXTZJR-UMNHJUIQSA-N 1 3 196.338 1.905 20 0 ADADHO C[C@H](N[C@H](C)[C@H]1CCCC[NH2+]1)C1CC1 386160650 409935603 /nfs/dbraw/zinc/93/56/03/409935603.db2.gz UTEXDKWVXXTZJR-HOSYDEDBSA-N 1 3 196.338 1.905 20 0 ADADHO CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 386384010 409935853 /nfs/dbraw/zinc/93/58/53/409935853.db2.gz DMKKQWWRXCKISD-VHSXEESVSA-N 1 3 170.300 1.517 20 0 ADADHO CC(C)CN[C@H](C)[C@H]1CCCC[NH2+]1 386478916 409937263 /nfs/dbraw/zinc/93/72/63/409937263.db2.gz RSJZTCDYMDZMGD-GHMZBOCLSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 386478926 409937984 /nfs/dbraw/zinc/93/79/84/409937984.db2.gz RSJZTCDYMDZMGD-QWRGUYRKSA-N 1 3 184.327 1.763 20 0 ADADHO C[C@@H](NCC1CC1)[C@H]1CCCC[NH2+]1 386421493 409938186 /nfs/dbraw/zinc/93/81/86/409938186.db2.gz KGLDBKWQSAMIPA-MWLCHTKSSA-N 1 3 182.311 1.517 20 0 ADADHO CC(C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 386478927 409938263 /nfs/dbraw/zinc/93/82/63/409938263.db2.gz RSJZTCDYMDZMGD-WDEREUQCSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 386478925 409938586 /nfs/dbraw/zinc/93/85/86/409938586.db2.gz RSJZTCDYMDZMGD-MNOVXSKESA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H](NCC1CC1)[C@@H]1CCCC[NH2+]1 386421495 409938787 /nfs/dbraw/zinc/93/87/87/409938787.db2.gz KGLDBKWQSAMIPA-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@@H](NCC1CC1)[C@@H]1CCCC[NH2+]1 386421491 409938935 /nfs/dbraw/zinc/93/89/35/409938935.db2.gz KGLDBKWQSAMIPA-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO C[C@H](NCC1CC1)[C@H]1CCCC[NH2+]1 386421489 409939011 /nfs/dbraw/zinc/93/90/11/409939011.db2.gz KGLDBKWQSAMIPA-GXSJLCMTSA-N 1 3 182.311 1.517 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@H]1CN 388177140 409948238 /nfs/dbraw/zinc/94/82/38/409948238.db2.gz ITYWDVSAVPDBPM-RHYQMDGZSA-N 1 3 196.338 1.750 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@@H]1CN 388177142 409948934 /nfs/dbraw/zinc/94/89/34/409948934.db2.gz ITYWDVSAVPDBPM-WYUUTHIRSA-N 1 3 196.338 1.750 20 0 ADADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1CN 388177139 409949508 /nfs/dbraw/zinc/94/95/08/409949508.db2.gz ITYWDVSAVPDBPM-NOOOWODRSA-N 1 3 196.338 1.750 20 0 ADADHO CC[C@@H]([NH2+]C[C@H](C)CN)C(C)C 388419677 409954682 /nfs/dbraw/zinc/95/46/82/409954682.db2.gz GXXIIFVWXBQLAH-NXEZZACHSA-N 1 3 172.316 1.605 20 0 ADADHO CC[C@H]([NH2+]C[C@@H](C)CN)C(C)C 388419679 409954760 /nfs/dbraw/zinc/95/47/60/409954760.db2.gz GXXIIFVWXBQLAH-UWVGGRQHSA-N 1 3 172.316 1.605 20 0 ADADHO CC[C@@H]([NH2+]C[C@@H](C)CN)C(C)C 388419681 409954969 /nfs/dbraw/zinc/95/49/69/409954969.db2.gz GXXIIFVWXBQLAH-VHSXEESVSA-N 1 3 172.316 1.605 20 0 ADADHO CC[C@H]([NH2+]C[C@H](C)CN)C(C)C 388419683 409956104 /nfs/dbraw/zinc/95/61/04/409956104.db2.gz GXXIIFVWXBQLAH-ZJUUUORDSA-N 1 3 172.316 1.605 20 0 ADADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCF 388584129 409957427 /nfs/dbraw/zinc/95/74/27/409957427.db2.gz GYXMPHGMXWPOCB-UWVGGRQHSA-N 1 3 188.290 1.453 20 0 ADADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCF 388584131 409958520 /nfs/dbraw/zinc/95/85/20/409958520.db2.gz GYXMPHGMXWPOCB-ZJUUUORDSA-N 1 3 188.290 1.453 20 0 ADADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCF 388584128 409958528 /nfs/dbraw/zinc/95/85/28/409958528.db2.gz GYXMPHGMXWPOCB-NXEZZACHSA-N 1 3 188.290 1.453 20 0 ADADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCF 388584130 409958535 /nfs/dbraw/zinc/95/85/35/409958535.db2.gz GYXMPHGMXWPOCB-VHSXEESVSA-N 1 3 188.290 1.453 20 0 ADADHO CC(C)[C@@H](C)[NH2+]C[C@@H](C)CN(C)C 388645648 409960430 /nfs/dbraw/zinc/96/04/30/409960430.db2.gz QCEDEQHEAMGVOF-GHMZBOCLSA-N 1 3 186.343 1.818 20 0 ADADHO CC(C)[C@H](C)[NH2+]C[C@@H](C)CN(C)C 388645649 409960552 /nfs/dbraw/zinc/96/05/52/409960552.db2.gz QCEDEQHEAMGVOF-MNOVXSKESA-N 1 3 186.343 1.818 20 0 ADADHO C[C@@H](C[NH2+]C1CCCC1)CN(C)C 388639410 409960559 /nfs/dbraw/zinc/96/05/59/409960559.db2.gz NXMQZUFEFGTVAH-JTQLQIEISA-N 1 3 184.327 1.716 20 0 ADADHO C[C@H](C[NH2+]C1CCCC1)CN(C)C 388639411 409960650 /nfs/dbraw/zinc/96/06/50/409960650.db2.gz NXMQZUFEFGTVAH-SNVBAGLBSA-N 1 3 184.327 1.716 20 0 ADADHO CC(C)[C@H](C)[NH2+]C[C@H](C)CN(C)C 388645651 409961219 /nfs/dbraw/zinc/96/12/19/409961219.db2.gz QCEDEQHEAMGVOF-QWRGUYRKSA-N 1 3 186.343 1.818 20 0 ADADHO CC(C)[C@@H](C)[NH2+]C[C@H](C)CN(C)C 388645652 409961242 /nfs/dbraw/zinc/96/12/42/409961242.db2.gz QCEDEQHEAMGVOF-WDEREUQCSA-N 1 3 186.343 1.818 20 0 ADADHO [NH3+]C1CCN(CCCCCF)CC1 388764974 409961982 /nfs/dbraw/zinc/96/19/82/409961982.db2.gz FHMXIKZHRSUXNR-UHFFFAOYSA-N 1 3 188.290 1.549 20 0 ADADHO CC[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[NH2+]1 388791179 409962405 /nfs/dbraw/zinc/96/24/05/409962405.db2.gz LWIQNPGBXMECIF-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1 388791179 409962410 /nfs/dbraw/zinc/96/24/10/409962410.db2.gz LWIQNPGBXMECIF-WOPDTQHZSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN 388814807 409962477 /nfs/dbraw/zinc/96/24/77/409962477.db2.gz RZHSUDCMDWOVHF-AXFHLTTASA-N 1 3 184.327 1.750 20 0 ADADHO CC[C@@H]1CCC[C@H]1NC[C@@H]1CCC[NH2+]1 388791132 409962595 /nfs/dbraw/zinc/96/25/95/409962595.db2.gz LWIQNPGBXMECIF-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN1 388791132 409962602 /nfs/dbraw/zinc/96/26/02/409962602.db2.gz LWIQNPGBXMECIF-GRYCIOLGSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CCC[C@H]1NC[C@H]1CCC[NH2+]1 388791156 409962789 /nfs/dbraw/zinc/96/27/89/409962789.db2.gz LWIQNPGBXMECIF-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1 388791156 409962795 /nfs/dbraw/zinc/96/27/95/409962795.db2.gz LWIQNPGBXMECIF-IJLUTSLNSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CCC[C@@H]1NC[C@H]1CCC[NH2+]1 388791174 409962926 /nfs/dbraw/zinc/96/29/26/409962926.db2.gz LWIQNPGBXMECIF-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1 388791174 409962934 /nfs/dbraw/zinc/96/29/34/409962934.db2.gz LWIQNPGBXMECIF-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN 388814808 409963257 /nfs/dbraw/zinc/96/32/57/409963257.db2.gz RZHSUDCMDWOVHF-GMTAPVOTSA-N 1 3 184.327 1.750 20 0 ADADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN 388814810 409963853 /nfs/dbraw/zinc/96/38/53/409963853.db2.gz RZHSUDCMDWOVHF-MXWKQRLJSA-N 1 3 184.327 1.750 20 0 ADADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN 388814809 409963944 /nfs/dbraw/zinc/96/39/44/409963944.db2.gz RZHSUDCMDWOVHF-HBNTYKKESA-N 1 3 184.327 1.750 20 0 ADADHO CNCCC[N@H+](C(C)C)C1CCC1 388969463 409964958 /nfs/dbraw/zinc/96/49/58/409964958.db2.gz JJLPWFCLAXOYCB-UHFFFAOYSA-N 1 3 184.327 1.859 20 0 ADADHO CNCCC[N@@H+](C(C)C)C1CCC1 388969463 409964964 /nfs/dbraw/zinc/96/49/64/409964964.db2.gz JJLPWFCLAXOYCB-UHFFFAOYSA-N 1 3 184.327 1.859 20 0 ADADHO CC[N@H+](CCCNC)[C@@H](C)C(C)C 389203862 409965297 /nfs/dbraw/zinc/96/52/97/409965297.db2.gz FRXDYPZZBXOMQR-NSHDSACASA-N 1 3 186.343 1.962 20 0 ADADHO CC[N@@H+](CCCNC)[C@@H](C)C(C)C 389203862 409965303 /nfs/dbraw/zinc/96/53/03/409965303.db2.gz FRXDYPZZBXOMQR-NSHDSACASA-N 1 3 186.343 1.962 20 0 ADADHO CC[N@H+](CCCNC)[C@H](C)C(C)C 389203690 409966799 /nfs/dbraw/zinc/96/67/99/409966799.db2.gz FRXDYPZZBXOMQR-LLVKDONJSA-N 1 3 186.343 1.962 20 0 ADADHO CC[N@@H+](CCCNC)[C@H](C)C(C)C 389203690 409966805 /nfs/dbraw/zinc/96/68/05/409966805.db2.gz FRXDYPZZBXOMQR-LLVKDONJSA-N 1 3 186.343 1.962 20 0 ADADHO CC(C)N(C[C@H]1CC[NH2+]C1)C1CC1 389252325 409967801 /nfs/dbraw/zinc/96/78/01/409967801.db2.gz DYGIZWSVGBBVOC-JTQLQIEISA-N 1 3 182.311 1.469 20 0 ADADHO CC(C)N(C[C@@H]1CC[NH2+]C1)C1CC1 389252326 409968132 /nfs/dbraw/zinc/96/81/32/409968132.db2.gz DYGIZWSVGBBVOC-SNVBAGLBSA-N 1 3 182.311 1.469 20 0 ADADHO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C1)CN(C)C 389304958 409970894 /nfs/dbraw/zinc/97/08/94/409970894.db2.gz KRVFTJDYWSMGAB-WOPDTQHZSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1 389304956 409971000 /nfs/dbraw/zinc/97/10/00/409971000.db2.gz KRVFTJDYWSMGAB-UTUOFQBUSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1 389304954 409971758 /nfs/dbraw/zinc/97/17/58/409971758.db2.gz KRVFTJDYWSMGAB-IJLUTSLNSA-N 1 3 198.354 1.962 20 0 ADADHO C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C1)CN(C)C 389304952 409972447 /nfs/dbraw/zinc/97/24/47/409972447.db2.gz KRVFTJDYWSMGAB-GRYCIOLGSA-N 1 3 198.354 1.962 20 0 ADADHO CNCCC[N@@H+](C1CC1)[C@H](C)C1CC1 389951582 409974766 /nfs/dbraw/zinc/97/47/66/409974766.db2.gz SGMQFDRGGKPVTA-SNVBAGLBSA-N 1 3 196.338 1.859 20 0 ADADHO CNCCC[N@H+](C1CC1)[C@H](C)C1CC1 389951582 409974771 /nfs/dbraw/zinc/97/47/71/409974771.db2.gz SGMQFDRGGKPVTA-SNVBAGLBSA-N 1 3 196.338 1.859 20 0 ADADHO C[NH2+]CCCN(C1CC1)[C@H](C)C1CC1 389951582 409974777 /nfs/dbraw/zinc/97/47/77/409974777.db2.gz SGMQFDRGGKPVTA-SNVBAGLBSA-N 1 3 196.338 1.859 20 0 ADADHO CNCCC[N@@H+](C1CC1)[C@@H](C)C1CC1 389951581 409975288 /nfs/dbraw/zinc/97/52/88/409975288.db2.gz SGMQFDRGGKPVTA-JTQLQIEISA-N 1 3 196.338 1.859 20 0 ADADHO CNCCC[N@H+](C1CC1)[C@@H](C)C1CC1 389951581 409975291 /nfs/dbraw/zinc/97/52/91/409975291.db2.gz SGMQFDRGGKPVTA-JTQLQIEISA-N 1 3 196.338 1.859 20 0 ADADHO C[NH2+]CCCN(C1CC1)[C@@H](C)C1CC1 389951581 409975294 /nfs/dbraw/zinc/97/52/94/409975294.db2.gz SGMQFDRGGKPVTA-JTQLQIEISA-N 1 3 196.338 1.859 20 0 ADADHO CCNCCC[NH2+][C@@H]1CCC1(C)C 393564694 409986576 /nfs/dbraw/zinc/98/65/76/409986576.db2.gz NVJVCNZMMVATJI-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCCN[C@@H]1CCC1(C)C 393564694 409986582 /nfs/dbraw/zinc/98/65/82/409986582.db2.gz NVJVCNZMMVATJI-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CCNCCC[NH2+][C@H]1CCC1(C)C 393564691 409987162 /nfs/dbraw/zinc/98/71/62/409987162.db2.gz NVJVCNZMMVATJI-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC[NH2+]CCCN[C@H]1CCC1(C)C 393564691 409987171 /nfs/dbraw/zinc/98/71/71/409987171.db2.gz NVJVCNZMMVATJI-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO CC(C)OCCCNCC(C)(C)[NH3+] 393540256 409988700 /nfs/dbraw/zinc/98/87/00/409988700.db2.gz WQEKODBOCFBCIY-UHFFFAOYSA-N 1 3 188.315 1.128 20 0 ADADHO C[C@@H](C[NH2+]CC(C)(C)C)CN(C)C 393718535 409990664 /nfs/dbraw/zinc/99/06/64/409990664.db2.gz XGAJUOFMGPKQBS-JTQLQIEISA-N 1 3 186.343 1.820 20 0 ADADHO C[C@H](C[NH2+]CC(C)(C)C)CN(C)C 393718536 409991595 /nfs/dbraw/zinc/99/15/95/409991595.db2.gz XGAJUOFMGPKQBS-SNVBAGLBSA-N 1 3 186.343 1.820 20 0 ADADHO CCCCN[C@@H](C)[C@H]1CCCC[NH2+]1 395167889 410001766 /nfs/dbraw/zinc/00/17/66/410001766.db2.gz VDNBJIAPZCTWCL-WDEREUQCSA-N 1 3 184.327 1.907 20 0 ADADHO C[C@@H]1C[C@@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 395154570 410002010 /nfs/dbraw/zinc/00/20/10/410002010.db2.gz FTLGSNLWDBOXRT-DDHJBXDOSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@@H]1C[C@@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 395154571 410002392 /nfs/dbraw/zinc/00/23/92/410002392.db2.gz FTLGSNLWDBOXRT-KKOKHZNYSA-N 1 3 196.338 1.763 20 0 ADADHO C[C@H](NC[C@H]1C[C@H]1C)[C@H]1CCCC[NH2+]1 395154575 410002414 /nfs/dbraw/zinc/00/24/14/410002414.db2.gz FTLGSNLWDBOXRT-WRWGMCAJSA-N 1 3 196.338 1.763 20 0 ADADHO CCCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 395167886 410002666 /nfs/dbraw/zinc/00/26/66/410002666.db2.gz VDNBJIAPZCTWCL-QWRGUYRKSA-N 1 3 184.327 1.907 20 0 ADADHO CCCCN[C@H](C)[C@@H]1CCCC[NH2+]1 395167883 410002920 /nfs/dbraw/zinc/00/29/20/410002920.db2.gz VDNBJIAPZCTWCL-MNOVXSKESA-N 1 3 184.327 1.907 20 0 ADADHO CCCCN[C@H](C)[C@H]1CCCC[NH2+]1 395167881 410003019 /nfs/dbraw/zinc/00/30/19/410003019.db2.gz VDNBJIAPZCTWCL-GHMZBOCLSA-N 1 3 184.327 1.907 20 0 ADADHO C[C@H](NC[C@H]1C[C@H]1C)[C@@H]1CCCC[NH2+]1 395154572 410003227 /nfs/dbraw/zinc/00/32/27/410003227.db2.gz FTLGSNLWDBOXRT-KXNHARMFSA-N 1 3 196.338 1.763 20 0 ADADHO CC(C)C[C@H](C)[NH2+]CC1CNC1 397764607 410014672 /nfs/dbraw/zinc/01/46/72/410014672.db2.gz MEPGBLFPEANAPT-VIFPVBQESA-N 1 3 170.300 1.230 20 0 ADADHO CC(C)C[C@@H](C)[NH2+]CC1CNC1 397764606 410015127 /nfs/dbraw/zinc/01/51/27/410015127.db2.gz MEPGBLFPEANAPT-SECBINFHSA-N 1 3 170.300 1.230 20 0 ADADHO CC[C@@H](C)[C@H](C)[NH2+]CC1CNC1 397894447 410017161 /nfs/dbraw/zinc/01/71/61/410017161.db2.gz UKRVZKGTEGIBAH-BDAKNGLRSA-N 1 3 170.300 1.230 20 0 ADADHO CCNCCC[NH2+][C@@H](C)C1CC1 397968473 410017494 /nfs/dbraw/zinc/01/74/94/410017494.db2.gz ABWYYMUIKUYDMD-VIFPVBQESA-N 1 3 170.300 1.374 20 0 ADADHO CC[C@H](C)[C@H](C)[NH2+]CC1CNC1 397894450 410018453 /nfs/dbraw/zinc/01/84/53/410018453.db2.gz UKRVZKGTEGIBAH-IUCAKERBSA-N 1 3 170.300 1.230 20 0 ADADHO CC[C@@H](C)[C@@H](C)[NH2+]CC1CNC1 397894451 410018703 /nfs/dbraw/zinc/01/87/03/410018703.db2.gz UKRVZKGTEGIBAH-RKDXNWHRSA-N 1 3 170.300 1.230 20 0 ADADHO CC[C@H](C)[C@@H](C)[NH2+]CC1CNC1 397894449 410018844 /nfs/dbraw/zinc/01/88/44/410018844.db2.gz UKRVZKGTEGIBAH-DTWKUNHWSA-N 1 3 170.300 1.230 20 0 ADADHO CCNCCC[NH2+][C@H](C)C1CC1 397968471 410018952 /nfs/dbraw/zinc/01/89/52/410018952.db2.gz ABWYYMUIKUYDMD-SECBINFHSA-N 1 3 170.300 1.374 20 0 ADADHO C[C@@H](CCC1CC1)NCC[NH2+]C1CC1 398067254 410019827 /nfs/dbraw/zinc/01/98/27/410019827.db2.gz HTJBQAXGPFNUIW-JTQLQIEISA-N 1 3 196.338 1.907 20 0 ADADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 398182740 410020270 /nfs/dbraw/zinc/02/02/70/410020270.db2.gz KNAVSNLLAOYWKR-ZYHUDNBSSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 398182733 410021943 /nfs/dbraw/zinc/02/19/43/410021943.db2.gz KNAVSNLLAOYWKR-CMPLNLGQSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 398182737 410020969 /nfs/dbraw/zinc/02/09/69/410020969.db2.gz KNAVSNLLAOYWKR-PWSUYJOCSA-N 1 3 196.338 1.764 20 0 ADADHO C[C@H](CCC1CC1)NCC[NH2+]C1CC1 398067258 410021268 /nfs/dbraw/zinc/02/12/68/410021268.db2.gz HTJBQAXGPFNUIW-SNVBAGLBSA-N 1 3 196.338 1.907 20 0 ADADHO CC(C)NCCC[NH2+][C@H](C)C1CC1 397996842 410021352 /nfs/dbraw/zinc/02/13/52/410021352.db2.gz LBIBTKOYXCWADV-SNVBAGLBSA-N 1 3 184.327 1.763 20 0 ADADHO CC(C)NCCC[NH2+][C@@H](C)C1CC1 397996841 410021762 /nfs/dbraw/zinc/02/17/62/410021762.db2.gz LBIBTKOYXCWADV-JTQLQIEISA-N 1 3 184.327 1.763 20 0 ADADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 398182735 410021955 /nfs/dbraw/zinc/02/19/55/410021955.db2.gz KNAVSNLLAOYWKR-JQWIXIFHSA-N 1 3 196.338 1.764 20 0 ADADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCNC 399323209 410026299 /nfs/dbraw/zinc/02/62/99/410026299.db2.gz RAKLSFDBQNOVOM-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H]1C[C@@H](C)C[N@H+]1CCCNC 399323209 410026303 /nfs/dbraw/zinc/02/63/03/410026303.db2.gz RAKLSFDBQNOVOM-GHMZBOCLSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCNC 399323212 410026679 /nfs/dbraw/zinc/02/66/79/410026679.db2.gz RAKLSFDBQNOVOM-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@@H]1C[C@H](C)C[N@H+]1CCCNC 399323212 410026682 /nfs/dbraw/zinc/02/66/82/410026682.db2.gz RAKLSFDBQNOVOM-WDEREUQCSA-N 1 3 184.327 1.716 20 0 ADADHO CC1(C)CC[C@@H]1NC[C@H]([NH3+])C1CC1 399205137 410026901 /nfs/dbraw/zinc/02/69/01/410026901.db2.gz PCYFMTZSZWIMHU-UWVGGRQHSA-N 1 3 182.311 1.502 20 0 ADADHO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCNC 399323210 410026858 /nfs/dbraw/zinc/02/68/58/410026858.db2.gz RAKLSFDBQNOVOM-MNOVXSKESA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@H]1C[C@@H](C)C[N@H+]1CCCNC 399323210 410026867 /nfs/dbraw/zinc/02/68/67/410026867.db2.gz RAKLSFDBQNOVOM-MNOVXSKESA-N 1 3 184.327 1.716 20 0 ADADHO CC1(C)CC[C@@H]1NC[C@@H]([NH3+])C1CC1 399205141 410027296 /nfs/dbraw/zinc/02/72/96/410027296.db2.gz PCYFMTZSZWIMHU-ZJUUUORDSA-N 1 3 182.311 1.502 20 0 ADADHO CC1(C)CC[C@H]1NC[C@H]([NH3+])C1CC1 399205138 410027487 /nfs/dbraw/zinc/02/74/87/410027487.db2.gz PCYFMTZSZWIMHU-VHSXEESVSA-N 1 3 182.311 1.502 20 0 ADADHO CC[C@H]1C[C@H](C)C[N@@H+]1CCCNC 399323211 410027669 /nfs/dbraw/zinc/02/76/69/410027669.db2.gz RAKLSFDBQNOVOM-QWRGUYRKSA-N 1 3 184.327 1.716 20 0 ADADHO CC[C@H]1C[C@H](C)C[N@H+]1CCCNC 399323211 410027687 /nfs/dbraw/zinc/02/76/87/410027687.db2.gz RAKLSFDBQNOVOM-QWRGUYRKSA-N 1 3 184.327 1.716 20 0 ADADHO CC1(C)CC[C@H]1NC[C@@H]([NH3+])C1CC1 399205135 410027970 /nfs/dbraw/zinc/02/79/70/410027970.db2.gz PCYFMTZSZWIMHU-NXEZZACHSA-N 1 3 182.311 1.502 20 0 ADADHO CC[C@]1(C)CCN(CCC[NH2+]C)C1 399780175 410029420 /nfs/dbraw/zinc/02/94/20/410029420.db2.gz VPOOCCGKCXDHGP-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@]1(C)CC[N@H+](CCCNC)C1 399780175 410029424 /nfs/dbraw/zinc/02/94/24/410029424.db2.gz VPOOCCGKCXDHGP-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@]1(C)CC[N@@H+](CCCNC)C1 399780175 410029431 /nfs/dbraw/zinc/02/94/31/410029431.db2.gz VPOOCCGKCXDHGP-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@@]1(C)CCN(CCC[NH2+]C)C1 399780189 410030544 /nfs/dbraw/zinc/03/05/44/410030544.db2.gz VPOOCCGKCXDHGP-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@@]1(C)CC[N@H+](CCCNC)C1 399780189 410030549 /nfs/dbraw/zinc/03/05/49/410030549.db2.gz VPOOCCGKCXDHGP-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@@]1(C)CC[N@@H+](CCCNC)C1 399780189 410030554 /nfs/dbraw/zinc/03/05/54/410030554.db2.gz VPOOCCGKCXDHGP-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 402826384 410036224 /nfs/dbraw/zinc/03/62/24/410036224.db2.gz HFDMQTMUIJNQPH-WOPDTQHZSA-N 1 3 196.338 1.846 20 0 ADADHO CC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 402826384 410036220 /nfs/dbraw/zinc/03/62/20/410036220.db2.gz HFDMQTMUIJNQPH-WOPDTQHZSA-N 1 3 196.338 1.846 20 0 ADADHO CCC[N@@H+]1CCC[C@H](C)[C@H]1CCN 404403344 410041766 /nfs/dbraw/zinc/04/17/66/410041766.db2.gz SSNQMQSUSUYWHP-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CCC[N@H+]1CCC[C@H](C)[C@H]1CCN 404403344 410041769 /nfs/dbraw/zinc/04/17/69/410041769.db2.gz SSNQMQSUSUYWHP-WDEREUQCSA-N 1 3 184.327 1.846 20 0 ADADHO CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN 404383329 410041799 /nfs/dbraw/zinc/04/17/99/410041799.db2.gz NIVPLUKNOJWUFX-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO CC[N@H+]1CCC[C@@H](C)[C@@H]1CCN 404383329 410041802 /nfs/dbraw/zinc/04/18/02/410041802.db2.gz NIVPLUKNOJWUFX-ZJUUUORDSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@@H]1CCC[N@H+](CC2CC2)[C@@H]1CCN 404369524 410041993 /nfs/dbraw/zinc/04/19/93/410041993.db2.gz IIWFUSJTTPTTSD-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CCC[N@@H+](CC2CC2)[C@@H]1CCN 404369524 410041995 /nfs/dbraw/zinc/04/19/95/410041995.db2.gz IIWFUSJTTPTTSD-ZYHUDNBSSA-N 1 3 196.338 1.846 20 0 ADADHO CCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN 404403341 410042008 /nfs/dbraw/zinc/04/20/08/410042008.db2.gz SSNQMQSUSUYWHP-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CCC[N@H+]1CCC[C@H](C)[C@@H]1CCN 404403341 410042011 /nfs/dbraw/zinc/04/20/11/410042011.db2.gz SSNQMQSUSUYWHP-QWRGUYRKSA-N 1 3 184.327 1.846 20 0 ADADHO CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN 404403339 410042211 /nfs/dbraw/zinc/04/22/11/410042211.db2.gz SSNQMQSUSUYWHP-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CCC[N@H+]1CCC[C@@H](C)[C@H]1CCN 404403339 410042215 /nfs/dbraw/zinc/04/22/15/410042215.db2.gz SSNQMQSUSUYWHP-GHMZBOCLSA-N 1 3 184.327 1.846 20 0 ADADHO CC[N@@H+]1CCC[C@H](C)[C@H]1CCN 404383326 410042338 /nfs/dbraw/zinc/04/23/38/410042338.db2.gz NIVPLUKNOJWUFX-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CC[N@H+]1CCC[C@H](C)[C@H]1CCN 404383326 410042341 /nfs/dbraw/zinc/04/23/41/410042341.db2.gz NIVPLUKNOJWUFX-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CC[N@@H+]1CCC[C@@H](C)[C@H]1CCN 404383322 410042366 /nfs/dbraw/zinc/04/23/66/410042366.db2.gz NIVPLUKNOJWUFX-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO CC[N@H+]1CCC[C@@H](C)[C@H]1CCN 404383322 410042371 /nfs/dbraw/zinc/04/23/71/410042371.db2.gz NIVPLUKNOJWUFX-NXEZZACHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@@H]1CCC[N@@H+](CC2CC2)[C@H]1CCN 404369522 410042510 /nfs/dbraw/zinc/04/25/10/410042510.db2.gz IIWFUSJTTPTTSD-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@@H]1CCC[N@H+](CC2CC2)[C@H]1CCN 404369522 410042508 /nfs/dbraw/zinc/04/25/08/410042508.db2.gz IIWFUSJTTPTTSD-PWSUYJOCSA-N 1 3 196.338 1.846 20 0 ADADHO CC[N@@H+]1CCC[C@H](C)[C@@H]1CCN 404383325 410042566 /nfs/dbraw/zinc/04/25/66/410042566.db2.gz NIVPLUKNOJWUFX-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CC[N@H+]1CCC[C@H](C)[C@@H]1CCN 404383325 410042572 /nfs/dbraw/zinc/04/25/72/410042572.db2.gz NIVPLUKNOJWUFX-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO C[C@H]1CCC[N@H+](CC2CC2)[C@@H]1CCN 404369515 410042635 /nfs/dbraw/zinc/04/26/35/410042635.db2.gz IIWFUSJTTPTTSD-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CCC[N@@H+](CC2CC2)[C@@H]1CCN 404369515 410042639 /nfs/dbraw/zinc/04/26/39/410042639.db2.gz IIWFUSJTTPTTSD-CMPLNLGQSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CCC[N@H+](CC2CC2)[C@H]1CCN 404369518 410042843 /nfs/dbraw/zinc/04/28/43/410042843.db2.gz IIWFUSJTTPTTSD-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO C[C@H]1CCC[N@@H+](CC2CC2)[C@H]1CCN 404369518 410042849 /nfs/dbraw/zinc/04/28/49/410042849.db2.gz IIWFUSJTTPTTSD-JQWIXIFHSA-N 1 3 196.338 1.846 20 0 ADADHO CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN 404403340 410042868 /nfs/dbraw/zinc/04/28/68/410042868.db2.gz SSNQMQSUSUYWHP-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN 404403340 410042872 /nfs/dbraw/zinc/04/28/72/410042872.db2.gz SSNQMQSUSUYWHP-MNOVXSKESA-N 1 3 184.327 1.846 20 0 ADADHO CC[C@H](C)N1C[C@@H]2C[NH2+]C[C@@]2(C)C1 536953325 410049457 /nfs/dbraw/zinc/04/94/57/410049457.db2.gz HDDKEPQSYWUAAS-DCAQKATOSA-N 1 3 182.311 1.326 20 0 ADADHO CC[C@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 536953326 410049962 /nfs/dbraw/zinc/04/99/62/410049962.db2.gz HDDKEPQSYWUAAS-GARJFASQSA-N 1 3 182.311 1.326 20 0 ADADHO CC[C@H](C)N1C[C@H]2C[NH2+]C[C@]2(C)C1 536953327 410050031 /nfs/dbraw/zinc/05/00/31/410050031.db2.gz HDDKEPQSYWUAAS-HBNTYKKESA-N 1 3 182.311 1.326 20 0 ADADHO CC[C@H](C)N1C[C@H]2C[NH2+]C[C@@]2(C)C1 536953319 410050072 /nfs/dbraw/zinc/05/00/72/410050072.db2.gz HDDKEPQSYWUAAS-AXFHLTTASA-N 1 3 182.311 1.326 20 0 ADADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H]1O2 650743724 410277628 /nfs/dbraw/zinc/27/76/28/410277628.db2.gz ZJWKWQFTEZQQLC-ILAIQSSSSA-N 1 3 198.310 1.022 20 0 ADADHO C[C@@H](C[C@@H](C)[NH3+])N[C@@H]1C[C@H]2CC[C@@H]1O2 650743726 410278530 /nfs/dbraw/zinc/27/85/30/410278530.db2.gz ZJWKWQFTEZQQLC-QGKZMRNZSA-N 1 3 198.310 1.022 20 0 ADADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H]2CC[C@@H]1O2 650743723 410278892 /nfs/dbraw/zinc/27/88/92/410278892.db2.gz ZJWKWQFTEZQQLC-DAWVFNFOSA-N 1 3 198.310 1.022 20 0 ADADHO C[C@H]([NH3+])C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H]1O2 650743725 410279254 /nfs/dbraw/zinc/27/92/54/410279254.db2.gz ZJWKWQFTEZQQLC-LXUNUROVSA-N 1 3 198.310 1.022 20 0 ADADHO C[C@H]([NH2+]C1CC(N)C1)C1CCC1 123998741 573299369 /nfs/dbraw/zinc/29/93/69/573299369.db2.gz DEJARIFRVNDQBK-WFRXLMHJSA-N 1 3 168.284 1.254 20 0 ADADHO C[C@H](C[NH2+][C@H](C)C1CNC1)C(C)(C)C 686244564 573313431 /nfs/dbraw/zinc/31/34/31/573313431.db2.gz UKRSULBZXPKHMP-NXEZZACHSA-N 1 3 198.354 1.866 20 0 ADADHO C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C1CNC1 686244567 573314665 /nfs/dbraw/zinc/31/46/65/573314665.db2.gz UKRSULBZXPKHMP-VHSXEESVSA-N 1 3 198.354 1.866 20 0 ADADHO CC(C)[C@@H]1C[C@H](N)CC[N@@H+]1C 74342423 573329488 /nfs/dbraw/zinc/32/94/88/573329488.db2.gz DNBJHISJHLTYOS-BDAKNGLRSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[C@@H]1C[C@H](N)CC[N@H+]1C 74342423 573329492 /nfs/dbraw/zinc/32/94/92/573329492.db2.gz DNBJHISJHLTYOS-BDAKNGLRSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[C@@H]1C[C@H]([NH3+])CCN1C 74342423 573329501 /nfs/dbraw/zinc/32/95/01/573329501.db2.gz DNBJHISJHLTYOS-BDAKNGLRSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[C@@H]1C[C@@H](N)CC[N@@H+]1C 74342425 573331760 /nfs/dbraw/zinc/33/17/60/573331760.db2.gz DNBJHISJHLTYOS-IUCAKERBSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[C@@H]1C[C@@H](N)CC[N@H+]1C 74342425 573331762 /nfs/dbraw/zinc/33/17/62/573331762.db2.gz DNBJHISJHLTYOS-IUCAKERBSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[C@@H]1C[C@@H]([NH3+])CCN1C 74342425 573331768 /nfs/dbraw/zinc/33/17/68/573331768.db2.gz DNBJHISJHLTYOS-IUCAKERBSA-N 1 3 156.273 1.064 20 0 ADADHO CCCCCC[N@@H+]1CC[C@@H](CN)C1 50245196 573334897 /nfs/dbraw/zinc/33/48/97/573334897.db2.gz PRABBXJNYWPGCS-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO CCCCCC[N@H+]1CC[C@@H](CN)C1 50245196 573334901 /nfs/dbraw/zinc/33/49/01/573334901.db2.gz PRABBXJNYWPGCS-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO C[NH+](C)CCCNC[C@H]1CCC=CO1 50267405 573334826 /nfs/dbraw/zinc/33/48/26/573334826.db2.gz VKBDXBXHJGAGGR-LLVKDONJSA-N 1 3 198.310 1.220 20 0 ADADHO CC(C)C[C@H]1C[C@H](N)CC[NH2+]1 107118423 573357371 /nfs/dbraw/zinc/35/73/71/573357371.db2.gz QXUSLLQPFRHENW-BDAKNGLRSA-N 1 3 156.273 1.112 20 0 ADADHO CC(C)C[C@H]1C[C@H]([NH3+])CCN1 107118423 573357375 /nfs/dbraw/zinc/35/73/75/573357375.db2.gz QXUSLLQPFRHENW-BDAKNGLRSA-N 1 3 156.273 1.112 20 0 ADADHO CC(C)(C)CC[NH2+]C1CC(N)C1 129986272 573424871 /nfs/dbraw/zinc/42/48/71/573424871.db2.gz YEUXXZXPROPEQR-UHFFFAOYSA-N 1 3 170.300 1.502 20 0 ADADHO CC(C)(C)CCNC1CC([NH3+])C1 129986272 573424876 /nfs/dbraw/zinc/42/48/76/573424876.db2.gz YEUXXZXPROPEQR-UHFFFAOYSA-N 1 3 170.300 1.502 20 0 ADADHO CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 86499897 573470831 /nfs/dbraw/zinc/47/08/31/573470831.db2.gz WRUIWIHPBGHTCV-UTUOFQBUSA-N 1 3 196.338 1.907 20 0 ADADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C1CNC1 686245497 573494478 /nfs/dbraw/zinc/49/44/78/573494478.db2.gz WUQMMPVGCBLOKZ-YWVKMMECSA-N 1 3 182.311 1.373 20 0 ADADHO CCC(CC)C[NH2+]C1CC(N)C1 130256850 573500891 /nfs/dbraw/zinc/50/08/91/573500891.db2.gz QJCKWCVGITVIEG-UHFFFAOYSA-N 1 3 170.300 1.502 20 0 ADADHO CCCCC[C@@H](C)[NH2+][C@H]1CCNC1 86726581 573594154 /nfs/dbraw/zinc/59/41/54/573594154.db2.gz FJDRRXPOZJHOAG-MNOVXSKESA-N 1 3 184.327 1.907 20 0 ADADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(N)C1 87651789 573995548 /nfs/dbraw/zinc/99/55/48/573995548.db2.gz ACSHJACFYYKWPV-QYNFOATHSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)[N@@H+]1C[C@H](CN)C[C@@H]1C 107220497 517444152 /nfs/dbraw/zinc/44/41/52/517444152.db2.gz KYDKABHPNOSOMX-IUCAKERBSA-N 1 3 156.273 1.064 20 0 ADADHO CC(C)[N@H+]1C[C@H](CN)C[C@@H]1C 107220497 517444163 /nfs/dbraw/zinc/44/41/63/517444163.db2.gz KYDKABHPNOSOMX-IUCAKERBSA-N 1 3 156.273 1.064 20 0 ADADHO C1CNCC[C@H]([NH2+]CC2CC2)C1 157401622 518397566 /nfs/dbraw/zinc/39/75/66/518397566.db2.gz PFJLCKGLSCLYRT-SNVBAGLBSA-N 1 3 168.284 1.128 20 0 ADADHO C1CCC([NH2+][C@H]2CCCNCC2)C1 160655515 518579142 /nfs/dbraw/zinc/57/91/42/518579142.db2.gz DFEYDMHRSODKJP-NSHDSACASA-N 1 3 182.311 1.661 20 0 ADADHO CC(C)C[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219776828 519731098 /nfs/dbraw/zinc/73/10/98/519731098.db2.gz HVWAXJHBNCJGAE-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)C[N@H+]1CC[C@@H](N)[C@@H](C)C1 219776828 519731100 /nfs/dbraw/zinc/73/11/00/519731100.db2.gz HVWAXJHBNCJGAE-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)CN1CC[C@@H]([NH3+])[C@@H](C)C1 219776828 519731102 /nfs/dbraw/zinc/73/11/02/519731102.db2.gz HVWAXJHBNCJGAE-VHSXEESVSA-N 1 3 170.300 1.312 20 0 ADADHO CC(C)[NH2+][C@@H]1CCCC[C@H]1CN 84215386 519735370 /nfs/dbraw/zinc/73/53/70/519735370.db2.gz VTRFTHQTXSPHNJ-VHSXEESVSA-N 1 3 170.300 1.502 20 0 ADADHO CC(C)[C@H](C)[NH2+][C@@H]1CCCNCC1 160660915 519813254 /nfs/dbraw/zinc/81/32/54/519813254.db2.gz ILZXHRJWQYLSMA-WDEREUQCSA-N 1 3 184.327 1.763 20 0 ADADHO CCCN1CC[C@@H]([NH3+])[C@@H](C)C1 219778321 519862282 /nfs/dbraw/zinc/86/22/82/519862282.db2.gz ILEQXCVFSIUHIA-DTWKUNHWSA-N 1 3 156.273 1.066 20 0 ADADHO CCC[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219778321 519862283 /nfs/dbraw/zinc/86/22/83/519862283.db2.gz ILEQXCVFSIUHIA-DTWKUNHWSA-N 1 3 156.273 1.066 20 0 ADADHO CCC[N@H+]1CC[C@@H](N)[C@@H](C)C1 219778321 519862284 /nfs/dbraw/zinc/86/22/84/519862284.db2.gz ILEQXCVFSIUHIA-DTWKUNHWSA-N 1 3 156.273 1.066 20 0 ADADHO CCCN1CC[C@H]([NH3+])[C@@H](C)C1 219778401 519863658 /nfs/dbraw/zinc/86/36/58/519863658.db2.gz ILEQXCVFSIUHIA-IUCAKERBSA-N 1 3 156.273 1.066 20 0 ADADHO CCC[N@@H+]1CC[C@H](N)[C@@H](C)C1 219778401 519863659 /nfs/dbraw/zinc/86/36/59/519863659.db2.gz ILEQXCVFSIUHIA-IUCAKERBSA-N 1 3 156.273 1.066 20 0 ADADHO CCC[N@H+]1CC[C@H](N)[C@@H](C)C1 219778401 519863660 /nfs/dbraw/zinc/86/36/60/519863660.db2.gz ILEQXCVFSIUHIA-IUCAKERBSA-N 1 3 156.273 1.066 20 0 ADADHO CC1(C)C[C@H]1N[C@H]1CCC[NH2+]CC1 160675694 520573311 /nfs/dbraw/zinc/57/33/11/520573311.db2.gz CCLHDWZKSGRQNG-VHSXEESVSA-N 1 3 182.311 1.517 20 0 ADADHO CC1(C)C[C@H]1[NH2+][C@H]1CCCNCC1 160675694 520573318 /nfs/dbraw/zinc/57/33/18/520573318.db2.gz CCLHDWZKSGRQNG-VHSXEESVSA-N 1 3 182.311 1.517 20 0 ADADHO CCCC[N@@H+]1CC[C@H](N)[C@@H](C)C1 219749421 520595851 /nfs/dbraw/zinc/59/58/51/520595851.db2.gz HZSJBLJADQQQON-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCC[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219749347 520595727 /nfs/dbraw/zinc/59/57/27/520595727.db2.gz HZSJBLJADQQQON-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CCCC[N@H+]1CC[C@@H](N)[C@@H](C)C1 219749347 520595730 /nfs/dbraw/zinc/59/57/30/520595730.db2.gz HZSJBLJADQQQON-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CCCCN1CC[C@@H]([NH3+])[C@@H](C)C1 219749347 520595736 /nfs/dbraw/zinc/59/57/36/520595736.db2.gz HZSJBLJADQQQON-VHSXEESVSA-N 1 3 170.300 1.456 20 0 ADADHO CCCC[N@H+]1CC[C@H](N)[C@@H](C)C1 219749421 520595856 /nfs/dbraw/zinc/59/58/56/520595856.db2.gz HZSJBLJADQQQON-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCCN1CC[C@H]([NH3+])[C@@H](C)C1 219749421 520595863 /nfs/dbraw/zinc/59/58/63/520595863.db2.gz HZSJBLJADQQQON-UWVGGRQHSA-N 1 3 170.300 1.456 20 0 ADADHO CCCC[N@@H+]1CC[C@@H](N)C[C@H]1C 242390325 520596861 /nfs/dbraw/zinc/59/68/61/520596861.db2.gz AKXOAWYTFGSQOM-NXEZZACHSA-N 1 3 170.300 1.598 20 0 ADADHO CCCC[N@H+]1CC[C@@H](N)C[C@H]1C 242390325 520596864 /nfs/dbraw/zinc/59/68/64/520596864.db2.gz AKXOAWYTFGSQOM-NXEZZACHSA-N 1 3 170.300 1.598 20 0 ADADHO CCCCN1CC[C@@H]([NH3+])C[C@H]1C 242390325 520596869 /nfs/dbraw/zinc/59/68/69/520596869.db2.gz AKXOAWYTFGSQOM-NXEZZACHSA-N 1 3 170.300 1.598 20 0 ADADHO CCCC[N@@H+]1CC[C@H](N)C[C@H]1C 242390326 520597211 /nfs/dbraw/zinc/59/72/11/520597211.db2.gz AKXOAWYTFGSQOM-ZJUUUORDSA-N 1 3 170.300 1.598 20 0 ADADHO CCCC[N@H+]1CC[C@H](N)C[C@H]1C 242390326 520597216 /nfs/dbraw/zinc/59/72/16/520597216.db2.gz AKXOAWYTFGSQOM-ZJUUUORDSA-N 1 3 170.300 1.598 20 0 ADADHO CCCCN1CC[C@H]([NH3+])C[C@H]1C 242390326 520597220 /nfs/dbraw/zinc/59/72/20/520597220.db2.gz AKXOAWYTFGSQOM-ZJUUUORDSA-N 1 3 170.300 1.598 20 0 ADADHO CC[C@@H]1C[C@H]1CN1CC[C@@H]([NH3+])C[C@H]1C 306610959 629664915 /nfs/dbraw/zinc/66/49/15/629664915.db2.gz BWUZHWWWFPEAJK-WISYIIOYSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](N)C[C@H]1C 306610959 629664908 /nfs/dbraw/zinc/66/49/08/629664908.db2.gz BWUZHWWWFPEAJK-WISYIIOYSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](N)C[C@H]1C 306610959 629664912 /nfs/dbraw/zinc/66/49/12/629664912.db2.gz BWUZHWWWFPEAJK-WISYIIOYSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](N)C[C@H]1C 306610960 629667058 /nfs/dbraw/zinc/66/70/58/629667058.db2.gz BWUZHWWWFPEAJK-WYUUTHIRSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](N)C[C@H]1C 306610960 629667064 /nfs/dbraw/zinc/66/70/64/629667064.db2.gz BWUZHWWWFPEAJK-WYUUTHIRSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@@H]1C[C@H]1CN1CC[C@H]([NH3+])C[C@H]1C 306610960 629667071 /nfs/dbraw/zinc/66/70/71/629667071.db2.gz BWUZHWWWFPEAJK-WYUUTHIRSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](N)[C@H](C)C1 306637134 629667493 /nfs/dbraw/zinc/66/74/93/629667493.db2.gz MEKZXCPHQHBHNY-WYUUTHIRSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](N)[C@H](C)C1 306637134 629667497 /nfs/dbraw/zinc/66/74/97/629667497.db2.gz MEKZXCPHQHBHNY-WYUUTHIRSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[C@H]1CN1CC[C@H]([NH3+])[C@H](C)C1 306637134 629667501 /nfs/dbraw/zinc/66/75/01/629667501.db2.gz MEKZXCPHQHBHNY-WYUUTHIRSA-N 1 3 196.338 1.702 20 0 ADADHO CC(C)CN[C@@H]1[C@@H]2C[C@@H]3[C@@H]1[NH2+]C[C@@H]3C2 307369648 629760525 /nfs/dbraw/zinc/76/05/25/629760525.db2.gz AHNRRZHFWLPLLU-NGDQXYMTSA-N 1 3 194.322 1.228 20 0 ADADHO CC(C)CN[C@@H]1[C@@H]2C[C@H]3[C@H](C[NH2+][C@H]31)C2 307369646 629761946 /nfs/dbraw/zinc/76/19/46/629761946.db2.gz AHNRRZHFWLPLLU-KKJSVHSVSA-N 1 3 194.322 1.228 20 0 ADADHO CC(C)CN[C@@H]1[C@H]2C[C@@H]3C[NH2+][C@@H]1[C@H]3C2 307369649 629763307 /nfs/dbraw/zinc/76/33/07/629763307.db2.gz AHNRRZHFWLPLLU-RNWYCLNJSA-N 1 3 194.322 1.228 20 0 ADADHO CCCCCC[N@@H+]1CCC[C@@H](N)C1 34408380 629893067 /nfs/dbraw/zinc/89/30/67/629893067.db2.gz OHEZQHABRLIFLX-LLVKDONJSA-N 1 3 184.327 1.990 20 0 ADADHO CCCCCC[N@H+]1CCC[C@@H](N)C1 34408380 629893070 /nfs/dbraw/zinc/89/30/70/629893070.db2.gz OHEZQHABRLIFLX-LLVKDONJSA-N 1 3 184.327 1.990 20 0 ADADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CN 162039553 629899583 /nfs/dbraw/zinc/89/95/83/629899583.db2.gz TZJWOAWUOIOMRI-VIFPVBQESA-N 1 3 196.269 1.571 20 0 ADADHO CC1CC[NH+]([C@H]2CCN[C@H](C)C2)CC1 229539572 629907033 /nfs/dbraw/zinc/90/70/33/629907033.db2.gz CGJDWPNOKWSOOE-NEPJUHHUSA-N 1 3 196.338 1.859 20 0 ADADHO CC(C)C[NH2+]CC[C@H](C)N(C)C 52422893 629933479 /nfs/dbraw/zinc/93/34/79/629933479.db2.gz ZWIQQBLECQYODY-JTQLQIEISA-N 1 3 172.316 1.572 20 0 ADADHO CC(C)C[NH2+]CC[C@@H](C)N(C)C 52422892 629936901 /nfs/dbraw/zinc/93/69/01/629936901.db2.gz ZWIQQBLECQYODY-SNVBAGLBSA-N 1 3 172.316 1.572 20 0 ADADHO C[C@@H](C[NH2+]C1CC(N)C1)C(C)(C)C 162772261 629959839 /nfs/dbraw/zinc/95/98/39/629959839.db2.gz OYKCUNAJEDFJDR-IDKOKCKLSA-N 1 3 184.327 1.748 20 0 ADADHO CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCNC1 238851156 521596353 /nfs/dbraw/zinc/59/63/53/521596353.db2.gz FLXCSEVIJPITAU-NWDGAFQWSA-N 1 3 196.338 1.860 20 0 ADADHO CC[N@H+]1CCCC[C@@H]1[C@H]1CCCNC1 238851156 521596356 /nfs/dbraw/zinc/59/63/56/521596356.db2.gz FLXCSEVIJPITAU-NWDGAFQWSA-N 1 3 196.338 1.860 20 0 ADADHO CC[N@@H+]1CCCC[C@H]1[C@H]1CCCNC1 238851157 521603556 /nfs/dbraw/zinc/60/35/56/521603556.db2.gz FLXCSEVIJPITAU-RYUDHWBXSA-N 1 3 196.338 1.860 20 0 ADADHO CC[N@H+]1CCCC[C@H]1[C@H]1CCCNC1 238851157 521603559 /nfs/dbraw/zinc/60/35/59/521603559.db2.gz FLXCSEVIJPITAU-RYUDHWBXSA-N 1 3 196.338 1.860 20 0 ADADHO C[N@@H+]1CCCC[C@@H]1[C@H]1CCCNC1 238854959 523794984 /nfs/dbraw/zinc/79/49/84/523794984.db2.gz PWSJAIIKSWLWET-WDEREUQCSA-N 1 3 182.311 1.470 20 0 ADADHO C[N@H+]1CCCC[C@@H]1[C@H]1CCCNC1 238854959 523794989 /nfs/dbraw/zinc/79/49/89/523794989.db2.gz PWSJAIIKSWLWET-WDEREUQCSA-N 1 3 182.311 1.470 20 0 ADADHO CN1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 238854959 523794994 /nfs/dbraw/zinc/79/49/94/523794994.db2.gz PWSJAIIKSWLWET-WDEREUQCSA-N 1 3 182.311 1.470 20 0 ADADHO C[N@@H+]1CCCC[C@H]1[C@H]1CCCNC1 238854958 523800642 /nfs/dbraw/zinc/80/06/42/523800642.db2.gz PWSJAIIKSWLWET-QWRGUYRKSA-N 1 3 182.311 1.470 20 0 ADADHO C[N@H+]1CCCC[C@H]1[C@H]1CCCNC1 238854958 523800644 /nfs/dbraw/zinc/80/06/44/523800644.db2.gz PWSJAIIKSWLWET-QWRGUYRKSA-N 1 3 182.311 1.470 20 0 ADADHO CN1CCCC[C@H]1[C@H]1CCC[NH2+]C1 238854958 523800647 /nfs/dbraw/zinc/80/06/47/523800647.db2.gz PWSJAIIKSWLWET-QWRGUYRKSA-N 1 3 182.311 1.470 20 0 ADADHO C[C@@H]([NH2+]C1CC(N)C1)C1CCC1 123998946 630038080 /nfs/dbraw/zinc/03/80/80/630038080.db2.gz DEJARIFRVNDQBK-CUUXFQNZSA-N 1 3 168.284 1.254 20 0 ADADHO C[C@H]1CCC[C@@H](C[NH2+]C2CC(N)C2)C1 235606075 630067949 /nfs/dbraw/zinc/06/79/49/630067949.db2.gz NISUSNAXVIICRM-DMOGRIERSA-N 1 3 196.338 1.892 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](N)C[C@@H]1C 306610958 630125001 /nfs/dbraw/zinc/12/50/01/630125001.db2.gz BWUZHWWWFPEAJK-WHOHXGKFSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](N)C[C@@H]1C 306610958 630125005 /nfs/dbraw/zinc/12/50/05/630125005.db2.gz BWUZHWWWFPEAJK-WHOHXGKFSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@@H]1C[C@H]1CN1CC[C@@H]([NH3+])C[C@@H]1C 306610958 630125007 /nfs/dbraw/zinc/12/50/07/630125007.db2.gz BWUZHWWWFPEAJK-WHOHXGKFSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](N)[C@H](C)C1 306637133 630125675 /nfs/dbraw/zinc/12/56/75/630125675.db2.gz MEKZXCPHQHBHNY-WISYIIOYSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](N)[C@H](C)C1 306637133 630125678 /nfs/dbraw/zinc/12/56/78/630125678.db2.gz MEKZXCPHQHBHNY-WISYIIOYSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[C@H]1CN1CC[C@@H]([NH3+])[C@H](C)C1 306637133 630125683 /nfs/dbraw/zinc/12/56/83/630125683.db2.gz MEKZXCPHQHBHNY-WISYIIOYSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](N)[C@@H](C)C1 306637131 630126209 /nfs/dbraw/zinc/12/62/09/630126209.db2.gz MEKZXCPHQHBHNY-USZNOCQGSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](N)[C@@H](C)C1 306637131 630126212 /nfs/dbraw/zinc/12/62/12/630126212.db2.gz MEKZXCPHQHBHNY-USZNOCQGSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[C@H]1CN1CC[C@H]([NH3+])[C@@H](C)C1 306637131 630126217 /nfs/dbraw/zinc/12/62/17/630126217.db2.gz MEKZXCPHQHBHNY-USZNOCQGSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](N)[C@@H](C)C1 306637132 630126709 /nfs/dbraw/zinc/12/67/09/630126709.db2.gz MEKZXCPHQHBHNY-WHOHXGKFSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](N)[C@@H](C)C1 306637132 630126711 /nfs/dbraw/zinc/12/67/11/630126711.db2.gz MEKZXCPHQHBHNY-WHOHXGKFSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[C@H]1CN1CC[C@@H]([NH3+])[C@@H](C)C1 306637132 630126715 /nfs/dbraw/zinc/12/67/15/630126715.db2.gz MEKZXCPHQHBHNY-WHOHXGKFSA-N 1 3 196.338 1.702 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](N)C[C@@H]1C 306610957 630126947 /nfs/dbraw/zinc/12/69/47/630126947.db2.gz BWUZHWWWFPEAJK-USZNOCQGSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](N)C[C@@H]1C 306610957 630126951 /nfs/dbraw/zinc/12/69/51/630126951.db2.gz BWUZHWWWFPEAJK-USZNOCQGSA-N 1 3 196.338 1.844 20 0 ADADHO CC[C@@H]1C[C@H]1CN1CC[C@H]([NH3+])C[C@@H]1C 306610957 630126955 /nfs/dbraw/zinc/12/69/55/630126955.db2.gz BWUZHWWWFPEAJK-USZNOCQGSA-N 1 3 196.338 1.844 20 0 ADADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)C1CCC1 127541736 630194215 /nfs/dbraw/zinc/19/42/15/630194215.db2.gz ZZOCAXNGEAFVII-ZJUUUORDSA-N 1 3 182.311 1.326 20 0 ADADHO C[C@H]1C[N@H+](CCCN)CC(C)(C)C1 334881800 630202258 /nfs/dbraw/zinc/20/22/58/630202258.db2.gz LPQBIWWAIXTFHM-SNVBAGLBSA-N 1 3 184.327 1.703 20 0 ADADHO C[C@H]1C[N@@H+](CCCN)CC(C)(C)C1 334881800 630202267 /nfs/dbraw/zinc/20/22/67/630202267.db2.gz LPQBIWWAIXTFHM-SNVBAGLBSA-N 1 3 184.327 1.703 20 0 ADADHO C[C@H]1CC[N@H+](CCCN)CC1(C)C 334833835 630205854 /nfs/dbraw/zinc/20/58/54/630205854.db2.gz TVEAKLAOYHVZCC-JTQLQIEISA-N 1 3 184.327 1.703 20 0 ADADHO C[C@H]1CC[N@@H+](CCCN)CC1(C)C 334833835 630205867 /nfs/dbraw/zinc/20/58/67/630205867.db2.gz TVEAKLAOYHVZCC-JTQLQIEISA-N 1 3 184.327 1.703 20 0 ADADHO C[C@@H]1C[N@H+](CCCN)CC(C)(C)C1 334881799 630206154 /nfs/dbraw/zinc/20/61/54/630206154.db2.gz LPQBIWWAIXTFHM-JTQLQIEISA-N 1 3 184.327 1.703 20 0 ADADHO C[C@@H]1C[N@@H+](CCCN)CC(C)(C)C1 334881799 630206174 /nfs/dbraw/zinc/20/61/74/630206174.db2.gz LPQBIWWAIXTFHM-JTQLQIEISA-N 1 3 184.327 1.703 20 0 ADADHO C[C@@H]1CC[N@H+](CCCN)C[C@H](C)C1 334865507 630206660 /nfs/dbraw/zinc/20/66/60/630206660.db2.gz UTEZLSMTTOSFPB-GHMZBOCLSA-N 1 3 184.327 1.703 20 0 ADADHO C[C@@H]1CC[N@@H+](CCCN)C[C@H](C)C1 334865507 630206670 /nfs/dbraw/zinc/20/66/70/630206670.db2.gz UTEZLSMTTOSFPB-GHMZBOCLSA-N 1 3 184.327 1.703 20 0 ADADHO C[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 70828801 524168612 /nfs/dbraw/zinc/16/86/12/524168612.db2.gz VDENSFVRNIAXMQ-ONGXEEELSA-N 1 3 182.311 1.517 20 0 ADADHO CC(C)C[C@H](C)C[NH2+]C1CC(N)C1 906509929 630751611 /nfs/dbraw/zinc/75/16/11/630751611.db2.gz CYVPAQFCMGHIRN-WHXUTIOJSA-N 1 3 184.327 1.748 20 0 ADADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H](N)C1 906516256 630752102 /nfs/dbraw/zinc/75/21/02/630752102.db2.gz ACSHJACFYYKWPV-DDHJBXDOSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H]1CCCC[C@H]1C[NH2+][C@H]1C[C@H](N)C1 906516255 630752546 /nfs/dbraw/zinc/75/25/46/630752546.db2.gz ACSHJACFYYKWPV-BJDJZHNGSA-N 1 3 196.338 1.892 20 0 ADADHO C[C@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H](N)C1 906516257 630752791 /nfs/dbraw/zinc/75/27/91/630752791.db2.gz ACSHJACFYYKWPV-USZNOCQGSA-N 1 3 196.338 1.892 20 0 ADADHO CC(C)(C)C[NH2+][C@H]1C[C@H](N)C1 906507732 630753038 /nfs/dbraw/zinc/75/30/38/630753038.db2.gz BOPGKQMPMTUKHG-ZKCHVHJHSA-N 1 3 156.273 1.112 20 0 ADADHO CC(C)C[C@@H](C)C[NH2+]C1CC(N)C1 906509928 630753064 /nfs/dbraw/zinc/75/30/64/630753064.db2.gz CYVPAQFCMGHIRN-KPPDAEKUSA-N 1 3 184.327 1.748 20 0 ADADHO CN(CCCF)C[C@H]1CCC[NH2+]C1 213359595 630774585 /nfs/dbraw/zinc/77/45/85/630774585.db2.gz NRDKWDVZTYRDMA-JTQLQIEISA-N 1 3 188.290 1.277 20 0 ADADHO CN(CCCF)C[C@@H]1CCC[NH2+]C1 213359552 630776258 /nfs/dbraw/zinc/77/62/58/630776258.db2.gz NRDKWDVZTYRDMA-SNVBAGLBSA-N 1 3 188.290 1.277 20 0 ADADHO CCCN(C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 233077783 630823744 /nfs/dbraw/zinc/82/37/44/630823744.db2.gz AOQUFHWWOSNJLP-MNOVXSKESA-N 1 3 196.338 1.716 20 0 ADADHO CCCCC[C@@H](C)[NH2+]CC1CNC1 165106323 630837676 /nfs/dbraw/zinc/83/76/76/630837676.db2.gz WASNQIFHRWRTJE-SNVBAGLBSA-N 1 3 184.327 1.764 20 0 ADADHO CCCCC[C@H](C)[NH2+]CC1CNC1 165106433 630840732 /nfs/dbraw/zinc/84/07/32/630840732.db2.gz WASNQIFHRWRTJE-JTQLQIEISA-N 1 3 184.327 1.764 20 0 ADADHO C[NH2+]CCNC1CCCCCCC1 58849833 630850304 /nfs/dbraw/zinc/85/03/04/630850304.db2.gz PZGHOEVWWYRKIX-UHFFFAOYSA-N 1 3 184.327 1.908 20 0 ADADHO C[C@H](CC[NH2+]Cc1cc[nH]c1)N(C)C 700507862 630881988 /nfs/dbraw/zinc/88/19/88/630881988.db2.gz MPEUGXKWQQFCNY-SNVBAGLBSA-N 1 3 195.310 1.445 20 0 ADADHO C[C@@H](CC[NH2+]Cc1cc[nH]c1)N(C)C 700507861 630882822 /nfs/dbraw/zinc/88/28/22/630882822.db2.gz MPEUGXKWQQFCNY-JTQLQIEISA-N 1 3 195.310 1.445 20 0 ADADHO C[N@H+](CC1CC1)C[C@]1(C)CCCNC1 62862174 630883049 /nfs/dbraw/zinc/88/30/49/630883049.db2.gz RQGYNMNBMADPHB-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO C[N@@H+](CC1CC1)C[C@]1(C)CCCNC1 62862174 630883053 /nfs/dbraw/zinc/88/30/53/630883053.db2.gz RQGYNMNBMADPHB-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO CN(CC1CC1)C[C@]1(C)CCC[NH2+]C1 62862174 630883057 /nfs/dbraw/zinc/88/30/57/630883057.db2.gz RQGYNMNBMADPHB-GFCCVEGCSA-N 1 3 196.338 1.718 20 0 ADADHO C[N@H+](CC1CC1)C[C@@]1(C)CCCNC1 62862173 630883591 /nfs/dbraw/zinc/88/35/91/630883591.db2.gz RQGYNMNBMADPHB-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO C[N@@H+](CC1CC1)C[C@@]1(C)CCCNC1 62862173 630883596 /nfs/dbraw/zinc/88/35/96/630883596.db2.gz RQGYNMNBMADPHB-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO CN(CC1CC1)C[C@@]1(C)CCC[NH2+]C1 62862173 630883601 /nfs/dbraw/zinc/88/36/01/630883601.db2.gz RQGYNMNBMADPHB-LBPRGKRZSA-N 1 3 196.338 1.718 20 0 ADADHO CCN(CC)C[C@@]1(C)CCC[NH2+]C1 62861609 630884773 /nfs/dbraw/zinc/88/47/73/630884773.db2.gz LWEKISVIEWCXBD-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CC[NH+](CC)C[C@@]1(C)CCCNC1 62861609 630884775 /nfs/dbraw/zinc/88/47/75/630884775.db2.gz LWEKISVIEWCXBD-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CCN(C[C@@]1(C)CCC[NH2+]C1)C1CC1 62861892 630884878 /nfs/dbraw/zinc/88/48/78/630884878.db2.gz XGFJLJJQYBMXQU-LBPRGKRZSA-N 1 3 196.338 1.860 20 0 ADADHO CCC[N@@H+](C)C[C@]1(C)CCCNC1 62861939 630885021 /nfs/dbraw/zinc/88/50/21/630885021.db2.gz HTHOBQZADIQSGL-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CCCN(C)C[C@]1(C)CCC[NH2+]C1 62861939 630885011 /nfs/dbraw/zinc/88/50/11/630885011.db2.gz HTHOBQZADIQSGL-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CCC[N@H+](C)C[C@]1(C)CCCNC1 62861939 630885013 /nfs/dbraw/zinc/88/50/13/630885013.db2.gz HTHOBQZADIQSGL-LLVKDONJSA-N 1 3 184.327 1.718 20 0 ADADHO CCN(C[C@]1(C)CCC[NH2+]C1)C1CC1 62861891 630885725 /nfs/dbraw/zinc/88/57/25/630885725.db2.gz XGFJLJJQYBMXQU-GFCCVEGCSA-N 1 3 196.338 1.860 20 0 ADADHO CCCN(C)C[C@@]1(C)CCC[NH2+]C1 62861940 630885802 /nfs/dbraw/zinc/88/58/02/630885802.db2.gz HTHOBQZADIQSGL-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CCC[N@H+](C)C[C@@]1(C)CCCNC1 62861940 630885806 /nfs/dbraw/zinc/88/58/06/630885806.db2.gz HTHOBQZADIQSGL-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO CCC[N@@H+](C)C[C@@]1(C)CCCNC1 62861940 630885812 /nfs/dbraw/zinc/88/58/12/630885812.db2.gz HTHOBQZADIQSGL-NSHDSACASA-N 1 3 184.327 1.718 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CC[C@@H]1C1CC1 854231978 630985796 /nfs/dbraw/zinc/98/57/96/630985796.db2.gz MNFKMTUZCCFTRO-GDPRMGEGSA-N 1 3 182.311 1.373 20 0 ADADHO C[NH2+]C[C@H](C)N[C@H]1CC[C@H]1C1CC1 854231981 630987306 /nfs/dbraw/zinc/98/73/06/630987306.db2.gz MNFKMTUZCCFTRO-LSJOCFKGSA-N 1 3 182.311 1.373 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H]1C1CC1 854231979 630988504 /nfs/dbraw/zinc/98/85/04/630988504.db2.gz MNFKMTUZCCFTRO-INTQDDNPSA-N 1 3 182.311 1.373 20 0 ADADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H]1C1CC1 854231980 630989219 /nfs/dbraw/zinc/98/92/19/630989219.db2.gz MNFKMTUZCCFTRO-JMJZKYOTSA-N 1 3 182.311 1.373 20 0 ADADHO CC(C)CC[N@@H+]1CCC[C@H](CN)C1 11888293 630995653 /nfs/dbraw/zinc/99/56/53/630995653.db2.gz NKKAEUKCFKHJLH-LLVKDONJSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)CC[N@H+]1CCC[C@H](CN)C1 11888293 630995667 /nfs/dbraw/zinc/99/56/67/630995667.db2.gz NKKAEUKCFKHJLH-LLVKDONJSA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)CC[N@@H+]1CCC[C@@H](CN)C1 11888288 630998115 /nfs/dbraw/zinc/99/81/15/630998115.db2.gz NKKAEUKCFKHJLH-NSHDSACASA-N 1 3 184.327 1.703 20 0 ADADHO CC(C)CC[N@H+]1CCC[C@@H](CN)C1 11888288 630998121 /nfs/dbraw/zinc/99/81/21/630998121.db2.gz NKKAEUKCFKHJLH-NSHDSACASA-N 1 3 184.327 1.703 20 0 ADADHO CCCCC[N@@H+]1CCC[C@@H](CN)C1 19843150 631008149 /nfs/dbraw/zinc/00/81/49/631008149.db2.gz MSXLQSQIQOSOON-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO CCCCC[N@H+]1CCC[C@@H](CN)C1 19843150 631008159 /nfs/dbraw/zinc/00/81/59/631008159.db2.gz MSXLQSQIQOSOON-NSHDSACASA-N 1 3 184.327 1.847 20 0 ADADHO CCCCC[N@@H+]1CCC[C@H](CN)C1 19843151 631008778 /nfs/dbraw/zinc/00/87/78/631008778.db2.gz MSXLQSQIQOSOON-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO CCCCC[N@H+]1CCC[C@H](CN)C1 19843151 631008783 /nfs/dbraw/zinc/00/87/83/631008783.db2.gz MSXLQSQIQOSOON-LLVKDONJSA-N 1 3 184.327 1.847 20 0 ADADHO CC1(C[N@@H+]2CCC[C@@H](CN)C2)CC1 306356701 631170927 /nfs/dbraw/zinc/17/09/27/631170927.db2.gz TXZOFGYKCDECNW-JTQLQIEISA-N 1 3 182.311 1.457 20 0 ADADHO CC1(C[N@H+]2CCC[C@@H](CN)C2)CC1 306356701 631170932 /nfs/dbraw/zinc/17/09/32/631170932.db2.gz TXZOFGYKCDECNW-JTQLQIEISA-N 1 3 182.311 1.457 20 0 ADADHO CC1(C[N@@H+]2CCC[C@H](CN)C2)CC1 306356703 631171055 /nfs/dbraw/zinc/17/10/55/631171055.db2.gz TXZOFGYKCDECNW-SNVBAGLBSA-N 1 3 182.311 1.457 20 0 ADADHO CC1(C[N@H+]2CCC[C@H](CN)C2)CC1 306356703 631171058 /nfs/dbraw/zinc/17/10/58/631171058.db2.gz TXZOFGYKCDECNW-SNVBAGLBSA-N 1 3 182.311 1.457 20 0 ADADHO C[C@H]1C[C@H]([NH2+]C2CCCC2)CCN1 235734079 524919927 /nfs/dbraw/zinc/91/99/27/524919927.db2.gz HEHKSYGUUOXUFQ-GXSJLCMTSA-N 1 3 182.311 1.659 20 0 ADADHO CC(C)C1(C[N@@H+]2CC[C@@H](CN)C2)CC1 232617220 1224234841 /nfs/dbraw/zinc/23/48/41/1224234841.db2.gz BJBKRDOXSOOGBL-NSHDSACASA-N 1 3 196.338 1.703 20 0 ADADHO CC(C)C1(C[N@H+]2CC[C@@H](CN)C2)CC1 232617220 1224234850 /nfs/dbraw/zinc/23/48/50/1224234850.db2.gz BJBKRDOXSOOGBL-NSHDSACASA-N 1 3 196.338 1.703 20 0 ADADHO CC(C)C1(C[N@@H+]2CC[C@H](CN)C2)CC1 232617753 1224235808 /nfs/dbraw/zinc/23/58/08/1224235808.db2.gz BJBKRDOXSOOGBL-LLVKDONJSA-N 1 3 196.338 1.703 20 0 ADADHO CC(C)C1(C[N@H+]2CC[C@H](CN)C2)CC1 232617753 1224235817 /nfs/dbraw/zinc/23/58/17/1224235817.db2.gz BJBKRDOXSOOGBL-LLVKDONJSA-N 1 3 196.338 1.703 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@H+](C)CCCN 382082172 1224320974 /nfs/dbraw/zinc/32/09/74/1224320974.db2.gz PWSBTKCCHVUMIR-ZJUUUORDSA-N 1 3 170.300 1.313 20 0 ADADHO CC[C@@H]1C[C@H]1C[N@@H+](C)CCCN 382082172 1224320981 /nfs/dbraw/zinc/32/09/81/1224320981.db2.gz PWSBTKCCHVUMIR-ZJUUUORDSA-N 1 3 170.300 1.313 20 0 ADADHO CC[C@@H]1C[C@H]1CN(C)CCC[NH3+] 382082172 1224320990 /nfs/dbraw/zinc/32/09/90/1224320990.db2.gz PWSBTKCCHVUMIR-ZJUUUORDSA-N 1 3 170.300 1.313 20 0 ADADHO C[C@@H]([NH2+][C@H]1CCCNCC1)C1CC1 160663837 525677916 /nfs/dbraw/zinc/67/79/16/525677916.db2.gz NUBGIXNPTNUZNA-KOLCDFICSA-N 1 3 182.311 1.517 20 0 ADADHO CS[C@H]1CC[C@@H]1NC(C)(C)C[NH3+] 1579367879 1224494696 /nfs/dbraw/zinc/49/46/96/1224494696.db2.gz SCNJPPREEQSJNI-YUMQZZPRSA-N 1 3 188.340 1.207 20 0 ADADHO CS[C@@H]1CC[C@@H]1NC(C)(C)C[NH3+] 1579367876 1224494859 /nfs/dbraw/zinc/49/48/59/1224494859.db2.gz SCNJPPREEQSJNI-JGVFFNPUSA-N 1 3 188.340 1.207 20 0 ADADHO CSC1CC(NC(C)(C)C[NH3+])C1 1579366827 1224494890 /nfs/dbraw/zinc/49/48/90/1224494890.db2.gz CYYPSZVUWSJMGJ-UHFFFAOYSA-N 1 3 188.340 1.207 20 0 ADADHO CS[C@@H]1CC[C@H]1NC(C)(C)C[NH3+] 1579367875 1224495072 /nfs/dbraw/zinc/49/50/72/1224495072.db2.gz SCNJPPREEQSJNI-HTQZYQBOSA-N 1 3 188.340 1.207 20 0 ADADHO CS[C@H]1CC[C@H]1NC(C)(C)C[NH3+] 1579367878 1224495081 /nfs/dbraw/zinc/49/50/81/1224495081.db2.gz SCNJPPREEQSJNI-SFYZADRCSA-N 1 3 188.340 1.207 20 0 ADADHO CCN1[C@H]2CC[C@@H]1C[N@H+](C)CC2 1655562606 1224515310 /nfs/dbraw/zinc/51/53/10/1224515310.db2.gz KCPJYDGQKNNKKV-VHSXEESVSA-N 1 3 168.284 1.175 20 0 ADADHO CCN1[C@H]2CC[C@@H]1C[N@@H+](C)CC2 1655562606 1224515312 /nfs/dbraw/zinc/51/53/12/1224515312.db2.gz KCPJYDGQKNNKKV-VHSXEESVSA-N 1 3 168.284 1.175 20 0 ADADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC1 84216700 527208891 /nfs/dbraw/zinc/20/88/91/527208891.db2.gz QOTHLFMUHDKTBI-ONGXEEELSA-N 1 3 182.311 1.646 20 0 ADADHO