smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]Cc1c[nH+]c2n1CCCN2 24539445 537788364 /nfs/dbraw/zinc/78/83/64/537788364.db2.gz IHWDIOJBWDDXOK-UHFFFAOYSA-N 2 1 152.201 0.157 10 0 ACAEMP [NH3+][C@@H]1C=C(C2CC2)C[NH2+]C1 23326463 537788392 /nfs/dbraw/zinc/78/83/92/537788392.db2.gz AFGLKNIZLQMIIJ-MRVPVSSYSA-N 2 1 138.214 0.253 10 0 ACAEMP [NH3+][C@H]1C=C(C2CC2)C[NH2+]C1 23326460 537789506 /nfs/dbraw/zinc/78/95/06/537789506.db2.gz AFGLKNIZLQMIIJ-QMMMGPOBSA-N 2 1 138.214 0.253 10 0 ACAEMP [NH3+][C@@H]1C=C(CC[C@H]2CCCO2)C[NH2+]C1 675076795 537791945 /nfs/dbraw/zinc/79/19/45/537791945.db2.gz GICLPFPCLXNYQC-GHMZBOCLSA-N 2 1 196.294 0.803 10 0 ACAEMP [NH3+][C@@H]1C=C(CC[C@@H]2CCCO2)C[NH2+]C1 675076797 537792734 /nfs/dbraw/zinc/79/27/34/537792734.db2.gz GICLPFPCLXNYQC-MNOVXSKESA-N 2 1 196.294 0.803 10 0 ACAEMP [NH3+][C@H]1C=C(C2CCOCC2)C[NH2+]C1 675076334 537793121 /nfs/dbraw/zinc/79/31/21/537793121.db2.gz BDBHVNHUBIPXRW-JTQLQIEISA-N 2 1 182.267 0.270 10 0 ACAEMP CCCC1=C[C@H]([NH3+])C[NH2+]C1 675076575 537793365 /nfs/dbraw/zinc/79/33/65/537793365.db2.gz DKDRRQIBXGBXNB-QMMMGPOBSA-N 2 1 140.230 0.643 10 0 ACAEMP [NH3+][C@@H]1C=C(C2CCOCC2)C[NH2+]C1 675076335 537793884 /nfs/dbraw/zinc/79/38/84/537793884.db2.gz BDBHVNHUBIPXRW-SNVBAGLBSA-N 2 1 182.267 0.270 10 0 ACAEMP CC(C)(C)C1=C[C@@H]([NH3+])C[NH2+]C1 675076787 537795252 /nfs/dbraw/zinc/79/52/52/537795252.db2.gz GICJYEPKQADJGU-MRVPVSSYSA-N 2 1 154.257 0.889 10 0 ACAEMP CC(C)(C)C1=C[C@H]([NH3+])C[NH2+]C1 675076790 537795407 /nfs/dbraw/zinc/79/54/07/537795407.db2.gz GICJYEPKQADJGU-QMMMGPOBSA-N 2 1 154.257 0.889 10 0 ACAEMP [NH3+][C@H]1C=C(CC[C@H]2CCCO2)C[NH2+]C1 675076801 537795699 /nfs/dbraw/zinc/79/56/99/537795699.db2.gz GICLPFPCLXNYQC-WDEREUQCSA-N 2 1 196.294 0.803 10 0 ACAEMP CCCC1=C[C@@H]([NH3+])C[NH2+]C1 675076574 537795788 /nfs/dbraw/zinc/79/57/88/537795788.db2.gz DKDRRQIBXGBXNB-MRVPVSSYSA-N 2 1 140.230 0.643 10 0 ACAEMP [NH3+][C@H]1C=C(CC[C@@H]2CCCO2)C[NH2+]C1 675076798 537795853 /nfs/dbraw/zinc/79/58/53/537795853.db2.gz GICLPFPCLXNYQC-QWRGUYRKSA-N 2 1 196.294 0.803 10 0 ACAEMP [NH3+][C@H]1C=C(C2CCC2)C[NH2+]C1 675077351 537796133 /nfs/dbraw/zinc/79/61/33/537796133.db2.gz CUJGAIGJCSXOTL-VIFPVBQESA-N 2 1 152.241 0.643 10 0 ACAEMP [NH3+]CCC[N@@H+](CCO)C1CCCC1 34960494 537796831 /nfs/dbraw/zinc/79/68/31/537796831.db2.gz DYXVXVBHMLYVIE-UHFFFAOYSA-N 2 1 186.299 0.572 10 0 ACAEMP CC(C)C1=C[C@H]([NH3+])C[NH2+]C1 675077700 537797064 /nfs/dbraw/zinc/79/70/64/537797064.db2.gz HJPDPUUWHJZAHV-QMMMGPOBSA-N 2 1 140.230 0.499 10 0 ACAEMP CCC1=C[C@H]([NH3+])C[NH2+]C1 675078021 537797272 /nfs/dbraw/zinc/79/72/72/537797272.db2.gz LXQCSWDXAKYMOV-ZETCQYMHSA-N 2 1 126.203 0.253 10 0 ACAEMP CCC1=C[C@@H]([NH3+])C[NH2+]C1 675078016 537797478 /nfs/dbraw/zinc/79/74/78/537797478.db2.gz LXQCSWDXAKYMOV-SSDOTTSWSA-N 2 1 126.203 0.253 10 0 ACAEMP CC(C)CC1=C[C@H]([NH3+])C[NH2+]C1 675077712 537797996 /nfs/dbraw/zinc/79/79/96/537797996.db2.gz QUEDWSFRGIMNPE-VIFPVBQESA-N 2 1 154.257 0.889 10 0 ACAEMP CC(C)CC1=C[C@@H]([NH3+])C[NH2+]C1 675077711 537798674 /nfs/dbraw/zinc/79/86/74/537798674.db2.gz QUEDWSFRGIMNPE-SECBINFHSA-N 2 1 154.257 0.889 10 0 ACAEMP [NH3+][C@@H]1C=C(C2CCC2)C[NH2+]C1 675077350 537799599 /nfs/dbraw/zinc/79/95/99/537799599.db2.gz CUJGAIGJCSXOTL-SECBINFHSA-N 2 1 152.241 0.643 10 0 ACAEMP [NH3+][C@@H]1C=C(C[C@H]2CCOC2)C[NH2+]C1 675077209 537799636 /nfs/dbraw/zinc/79/96/36/537799636.db2.gz AWQXXSGXBUDEPQ-PSASIEDQSA-N 2 1 182.267 0.270 10 0 ACAEMP [NH3+][C@H]1C=C(C[C@@H]2CCOC2)C[NH2+]C1 675077212 537799819 /nfs/dbraw/zinc/79/98/19/537799819.db2.gz AWQXXSGXBUDEPQ-WPRPVWTQSA-N 2 1 182.267 0.270 10 0 ACAEMP [NH3+][C@@H]1C=C(C[C@@H]2CCOC2)C[NH2+]C1 675077211 537800015 /nfs/dbraw/zinc/80/00/15/537800015.db2.gz AWQXXSGXBUDEPQ-WCBMZHEXSA-N 2 1 182.267 0.270 10 0 ACAEMP [NH3+][C@H]1C=C(C[C@H]2CCOC2)C[NH2+]C1 675077210 537800184 /nfs/dbraw/zinc/80/01/84/537800184.db2.gz AWQXXSGXBUDEPQ-SCZZXKLOSA-N 2 1 182.267 0.270 10 0 ACAEMP CC(C)C1=C[C@@H]([NH3+])C[NH2+]C1 675077699 537800831 /nfs/dbraw/zinc/80/08/31/537800831.db2.gz HJPDPUUWHJZAHV-MRVPVSSYSA-N 2 1 140.230 0.499 10 0 ACAEMP [NH3+][C@@H]1C=C(C[C@H]2CCCOC2)C[NH2+]C1 675079490 537803370 /nfs/dbraw/zinc/80/33/70/537803370.db2.gz ZLQJUTKZRZTJDK-MWLCHTKSSA-N 2 1 196.294 0.660 10 0 ACAEMP [NH3+][C@@H]1C=C(CC2CCOCC2)C[NH2+]C1 675079417 537803466 /nfs/dbraw/zinc/80/34/66/537803466.db2.gz YTBUMHWUFVPMIQ-LLVKDONJSA-N 2 1 196.294 0.660 10 0 ACAEMP [NH3+][C@H]1C=C(CC2CCOCC2)C[NH2+]C1 675079419 537803660 /nfs/dbraw/zinc/80/36/60/537803660.db2.gz YTBUMHWUFVPMIQ-NSHDSACASA-N 2 1 196.294 0.660 10 0 ACAEMP CC[C@H](C)C1=C[C@H]([NH3+])C[NH2+]C1 675079434 537803880 /nfs/dbraw/zinc/80/38/80/537803880.db2.gz YVUJAEYYVWMPCI-CBAPKCEASA-N 2 1 154.257 0.889 10 0 ACAEMP CC[C@@H](C)C1=C[C@@H]([NH3+])C[NH2+]C1 675079437 537804003 /nfs/dbraw/zinc/80/40/03/537804003.db2.gz YVUJAEYYVWMPCI-VXNVDRBHSA-N 2 1 154.257 0.889 10 0 ACAEMP [NH3+][C@H]1C=C(C[C@@H]2CCCOC2)C[NH2+]C1 675079491 537804203 /nfs/dbraw/zinc/80/42/03/537804203.db2.gz ZLQJUTKZRZTJDK-ONGXEEELSA-N 2 1 196.294 0.660 10 0 ACAEMP CC[C@H](C)C1=C[C@@H]([NH3+])C[NH2+]C1 675079436 537804234 /nfs/dbraw/zinc/80/42/34/537804234.db2.gz YVUJAEYYVWMPCI-IONNQARKSA-N 2 1 154.257 0.889 10 0 ACAEMP [NH3+][C@H]1C=C(C[C@H]2CCCOC2)C[NH2+]C1 675079489 537804257 /nfs/dbraw/zinc/80/42/57/537804257.db2.gz ZLQJUTKZRZTJDK-KOLCDFICSA-N 2 1 196.294 0.660 10 0 ACAEMP [NH3+]C[C@]12C[C@H]1CCC[NH2+]2 675079449 537804374 /nfs/dbraw/zinc/80/43/74/537804374.db2.gz FZPMHCUSVDEMHU-RNFRBKRXSA-N 2 1 126.203 0.087 10 0 ACAEMP [NH3+][C@@H]1C=C(C[C@@H]2CCCOC2)C[NH2+]C1 675079488 537804405 /nfs/dbraw/zinc/80/44/05/537804405.db2.gz ZLQJUTKZRZTJDK-GXSJLCMTSA-N 2 1 196.294 0.660 10 0 ACAEMP [NH3+]C[C@@]12C[C@@H]1CCC[NH2+]2 675079440 537804516 /nfs/dbraw/zinc/80/45/16/537804516.db2.gz FZPMHCUSVDEMHU-BQBZGAKWSA-N 2 1 126.203 0.087 10 0 ACAEMP CC[C@@H](C)C1=C[C@H]([NH3+])C[NH2+]C1 675079433 537804888 /nfs/dbraw/zinc/80/48/88/537804888.db2.gz YVUJAEYYVWMPCI-APPZFPTMSA-N 2 1 154.257 0.889 10 0 ACAEMP CC[N@@H+](C)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 675080449 537808112 /nfs/dbraw/zinc/80/81/12/537808112.db2.gz QDLZHFSXHITZGS-NXEZZACHSA-N 2 1 198.310 0.835 10 0 ACAEMP CC[N@@H+](C)[C@@H]1C[C@H]([NH3+])C12CCOCC2 675080451 537808357 /nfs/dbraw/zinc/80/83/57/537808357.db2.gz QDLZHFSXHITZGS-VHSXEESVSA-N 2 1 198.310 0.835 10 0 ACAEMP CC[N@@H+](C)[C@H]1C[C@@H]([NH3+])C12CCOCC2 675080452 537808810 /nfs/dbraw/zinc/80/88/10/537808810.db2.gz QDLZHFSXHITZGS-ZJUUUORDSA-N 2 1 198.310 0.835 10 0 ACAEMP CC[N@@H+](C)[C@H]1C[C@H]([NH3+])C12CCOCC2 675080450 537809206 /nfs/dbraw/zinc/80/92/06/537809206.db2.gz QDLZHFSXHITZGS-UWVGGRQHSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(N)c1 685946598 537816775 /nfs/dbraw/zinc/81/67/75/537816775.db2.gz TZYXYXVXARRAPY-MNOVXSKESA-N 2 1 191.278 0.673 10 0 ACAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(N)c1 685946591 537817142 /nfs/dbraw/zinc/81/71/42/537817142.db2.gz TZYXYXVXARRAPY-GHMZBOCLSA-N 2 1 191.278 0.673 10 0 ACAEMP C[C@@H]1CC[C@@]([NH3+])(C2=[NH+]CCN2)C1 685947281 537818183 /nfs/dbraw/zinc/81/81/83/537818183.db2.gz IFQJZRAETLJQGE-APPZFPTMSA-N 2 1 167.256 0.506 10 0 ACAEMP C[C@@H]1CC[C@]([NH3+])(C2=[NH+]CCN2)C1 685947295 537819151 /nfs/dbraw/zinc/81/91/51/537819151.db2.gz IFQJZRAETLJQGE-VXNVDRBHSA-N 2 1 167.256 0.506 10 0 ACAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(N)c1 685946600 537819283 /nfs/dbraw/zinc/81/92/83/537819283.db2.gz TZYXYXVXARRAPY-QWRGUYRKSA-N 2 1 191.278 0.673 10 0 ACAEMP C[C@H]1CC[C@]([NH3+])(C2=[NH+]CCN2)C1 685947294 537820301 /nfs/dbraw/zinc/82/03/01/537820301.db2.gz IFQJZRAETLJQGE-IONNQARKSA-N 2 1 167.256 0.506 10 0 ACAEMP C[C@H]1CC[C@@]([NH3+])(C2=[NH+]CCN2)C1 685947293 537820801 /nfs/dbraw/zinc/82/08/01/537820801.db2.gz IFQJZRAETLJQGE-CBAPKCEASA-N 2 1 167.256 0.506 10 0 ACAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(N)c1 685946601 537820956 /nfs/dbraw/zinc/82/09/56/537820956.db2.gz TZYXYXVXARRAPY-WDEREUQCSA-N 2 1 191.278 0.673 10 0 ACAEMP CC(C)[NH2+]C[C@H]([NH3+])Cc1ccnnc1 685950565 537828605 /nfs/dbraw/zinc/82/86/05/537828605.db2.gz UBPMDWOIGLWLKT-SNVBAGLBSA-N 2 1 194.282 0.344 10 0 ACAEMP CC(C)[NH2+]C[C@@H]([NH3+])Cc1ccnnc1 685950564 537829147 /nfs/dbraw/zinc/82/91/47/537829147.db2.gz UBPMDWOIGLWLKT-JTQLQIEISA-N 2 1 194.282 0.344 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])[C@@]12CCCOCC2 685952751 537834202 /nfs/dbraw/zinc/83/42/02/537834202.db2.gz CRVOWRBZULKEFX-UWVGGRQHSA-N 2 1 184.283 0.589 10 0 ACAEMP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12CCOC2 685952769 537834709 /nfs/dbraw/zinc/83/47/09/537834709.db2.gz CTUQHTGWPHXNLX-VHSXEESVSA-N 2 1 184.283 0.587 10 0 ACAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12CCOC2 685952769 537834712 /nfs/dbraw/zinc/83/47/12/537834712.db2.gz CTUQHTGWPHXNLX-VHSXEESVSA-N 2 1 184.283 0.587 10 0 ACAEMP CCC[N@@H+]1CC[C@@H]([NH3+])[C@]12CCOC2 685952554 537834977 /nfs/dbraw/zinc/83/49/77/537834977.db2.gz AJOHXLZMEIODNU-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@]12CCOC2 685952554 537834988 /nfs/dbraw/zinc/83/49/88/537834988.db2.gz AJOHXLZMEIODNU-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCOC2 685952563 537835028 /nfs/dbraw/zinc/83/50/28/537835028.db2.gz AJOHXLZMEIODNU-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@@]12CCOC2 685952563 537835037 /nfs/dbraw/zinc/83/50/37/537835037.db2.gz AJOHXLZMEIODNU-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])[C@]12CCCOCC2 685952754 537836470 /nfs/dbraw/zinc/83/64/70/537836470.db2.gz CRVOWRBZULKEFX-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12CCOC2 685952562 537837666 /nfs/dbraw/zinc/83/76/66/537837666.db2.gz AJOHXLZMEIODNU-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@]12CCCOCC2 685952756 537836875 /nfs/dbraw/zinc/83/68/75/537836875.db2.gz CRVOWRBZULKEFX-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@]12CCOC2 685952765 537836938 /nfs/dbraw/zinc/83/69/38/537836938.db2.gz CTUQHTGWPHXNLX-NXEZZACHSA-N 2 1 184.283 0.587 10 0 ACAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@]12CCOC2 685952765 537836946 /nfs/dbraw/zinc/83/69/46/537836946.db2.gz CTUQHTGWPHXNLX-NXEZZACHSA-N 2 1 184.283 0.587 10 0 ACAEMP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCOC2 685952770 537837004 /nfs/dbraw/zinc/83/70/04/537837004.db2.gz CTUQHTGWPHXNLX-ZJUUUORDSA-N 2 1 184.283 0.587 10 0 ACAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@]12CCOC2 685952770 537837016 /nfs/dbraw/zinc/83/70/16/537837016.db2.gz CTUQHTGWPHXNLX-ZJUUUORDSA-N 2 1 184.283 0.587 10 0 ACAEMP CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCOC2 685952560 537837522 /nfs/dbraw/zinc/83/75/22/537837522.db2.gz AJOHXLZMEIODNU-UWVGGRQHSA-N 2 1 184.283 0.589 10 0 ACAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@@]12CCOC2 685952560 537837527 /nfs/dbraw/zinc/83/75/27/537837527.db2.gz AJOHXLZMEIODNU-UWVGGRQHSA-N 2 1 184.283 0.589 10 0 ACAEMP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12CCOC2 685952768 537837604 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BOLRAPLYTCHEEL-OUAUKWLOSA-N 2 1 198.310 0.571 10 0 ACAEMP C[C@@H]1CC[N@H+](C)[C@@H]2C[NH2+]CC[C@H]21 251699533 572611867 /nfs/dbraw/zinc/61/18/67/572611867.db2.gz NYVFPJYSMGCGAF-KXUCPTDWSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2C[NH2+]CC[C@H]21 251699533 572611869 /nfs/dbraw/zinc/61/18/69/572611869.db2.gz NYVFPJYSMGCGAF-KXUCPTDWSA-N 2 1 168.284 0.936 10 0 ACAEMP [NH3+][C@H]1C[NH2+]CC[C@@H]1c1cccc(O)c1 214697120 572619852 /nfs/dbraw/zinc/61/98/52/572619852.db2.gz QIDNMLKKAFRKIL-MNOVXSKESA-N 2 1 192.262 0.796 10 0 ACAEMP [NH3+][C@H]1C[NH2+]CC[C@H]1c1cccc(O)c1 214697067 572619859 /nfs/dbraw/zinc/61/98/59/572619859.db2.gz QIDNMLKKAFRKIL-QWRGUYRKSA-N 2 1 192.262 0.796 10 0 ACAEMP C[C@@H]1CCN(C)[C@@H](C[NH3+])C[N@@H+]1C1CC1 251713005 572619863 /nfs/dbraw/zinc/61/98/63/572619863.db2.gz PCJAYVWIXBFDDN-KOLCDFICSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@@H]1CCN(C)[C@@H](C[NH3+])C[N@H+]1C1CC1 251713005 572619866 /nfs/dbraw/zinc/61/98/66/572619866.db2.gz PCJAYVWIXBFDDN-KOLCDFICSA-N 2 1 197.326 0.502 10 0 ACAEMP CC(C)C[N@@H+]1C[C@H](C[NH3+])N(C)C[C@H]1C 251750921 572619897 /nfs/dbraw/zinc/61/98/97/572619897.db2.gz SHRIXENWXKKOTI-MNOVXSKESA-N 2 1 199.342 0.606 10 0 ACAEMP CC(C)C[N@H+]1C[C@H](C[NH3+])N(C)C[C@H]1C 251750921 572619899 /nfs/dbraw/zinc/61/98/99/572619899.db2.gz SHRIXENWXKKOTI-MNOVXSKESA-N 2 1 199.342 0.606 10 0 ACAEMP COCC[N@@H+](C1CC1)C1CC([NH3+])C1 87653348 572639327 /nfs/dbraw/zinc/63/93/27/572639327.db2.gz VOXUQEMTXXAUEG-UHFFFAOYSA-N 2 1 184.283 0.587 10 0 ACAEMP COC[C@H]1CC[N@@H+](C/C=C/C[NH3+])C1 85055200 572639350 /nfs/dbraw/zinc/63/93/50/572639350.db2.gz MMTOFYLWYXGMBN-PBKGFPTLSA-N 2 1 184.283 0.470 10 0 ACAEMP [NH3+]CC[NH2+]CCCC(F)F 688709799 572639369 /nfs/dbraw/zinc/63/93/69/572639369.db2.gz MMRAYBXKLMUSDG-UHFFFAOYSA-N 2 1 152.188 0.580 10 0 ACAEMP C[N@@H+](C/C=C/C[NH3+])C[C@H]1CCCOC1 85055137 572639444 /nfs/dbraw/zinc/63/94/44/572639444.db2.gz CGQLMJOXLDMDBF-KXMPLOMGSA-N 2 1 198.310 0.860 10 0 ACAEMP CC[N@H+]1CC[C@@H](CNC2CC([NH3+])C2)C1 87651611 572639456 /nfs/dbraw/zinc/63/94/56/572639456.db2.gz GELSUMYZOHIKGL-WHXUTIOJSA-N 2 1 197.326 0.408 10 0 ACAEMP CCC[N@@H+](CCO)[C@@](C)(CC)C[NH3+] 50091947 573238647 /nfs/dbraw/zinc/23/86/47/573238647.db2.gz YXDOBWHJOGHGMF-JTQLQIEISA-N 2 1 188.315 0.818 10 0 ACAEMP CC[N@H+]1CCN(C/C=C/C[NH3+])C[C@@H]1C 85055116 572641295 /nfs/dbraw/zinc/64/12/95/572641295.db2.gz QHHCUTKZDAFBCD-ZWNMCFTASA-N 2 1 197.326 0.527 10 0 ACAEMP CCN1CC[N@H+](C/C=C/C[NH3+])C[C@@H]1C 85055116 572641297 /nfs/dbraw/zinc/64/12/97/572641297.db2.gz QHHCUTKZDAFBCD-ZWNMCFTASA-N 2 1 197.326 0.527 10 0 ACAEMP CCN1CC[N@@H+](C/C=C/C[NH3+])C[C@@H]1C 85055116 572641300 /nfs/dbraw/zinc/64/13/00/572641300.db2.gz QHHCUTKZDAFBCD-ZWNMCFTASA-N 2 1 197.326 0.527 10 0 ACAEMP C[C@H]1CN(C)[C@@H](C[NH3+])C[N@@H+]1C1CC1 251811511 572641312 /nfs/dbraw/zinc/64/13/12/572641312.db2.gz YWBBFYMDHNOCQB-WPRPVWTQSA-N 2 1 183.299 0.112 10 0 ACAEMP C[C@H]1CN(C)[C@@H](C[NH3+])C[N@H+]1C1CC1 251811511 572641316 /nfs/dbraw/zinc/64/13/16/572641316.db2.gz YWBBFYMDHNOCQB-WPRPVWTQSA-N 2 1 183.299 0.112 10 0 ACAEMP CCOCC[N@@H+](CC)C/C=C/C[NH3+] 85055130 572641334 /nfs/dbraw/zinc/64/13/34/572641334.db2.gz HCIHPKPXBFTUFC-AATRIKPKSA-N 2 1 186.299 0.860 10 0 ACAEMP CN(C)C[C@@H]1CCC[N@H+]1C/C=C/C[NH3+] 85055009 572641350 /nfs/dbraw/zinc/64/13/50/572641350.db2.gz LORODWMXXUNCEK-UFFNRZRYSA-N 2 1 197.326 0.527 10 0 ACAEMP COC[C@H](C)[N@@H+](C)C1CC([NH3+])C1 87653345 572641352 /nfs/dbraw/zinc/64/13/52/572641352.db2.gz PIAHLZDWEBDSGC-UEJVZZJDSA-N 2 1 172.272 0.443 10 0 ACAEMP C[NH+](C)C[C@@H]1CCCN1C/C=C/C[NH3+] 85055009 572641354 /nfs/dbraw/zinc/64/13/54/572641354.db2.gz LORODWMXXUNCEK-UFFNRZRYSA-N 2 1 197.326 0.527 10 0 ACAEMP CO[C@@H](C)CC[NH2+][C@H](C)C[NH3+] 307859223 572659723 /nfs/dbraw/zinc/65/97/23/572659723.db2.gz FHUAFPQPJSGQBT-SFYZADRCSA-N 2 1 160.261 0.348 10 0 ACAEMP C[C@]12CSC[C@H]1C[N@H+](CC[NH3+])C2 885182956 757513055 /nfs/dbraw/zinc/51/30/55/757513055.db2.gz ARIVMMCPCJDLOW-BDAKNGLRSA-N 2 1 186.324 0.630 10 0 ACAEMP C[C@]12CSC[C@H]1C[N@@H+](CC[NH3+])C2 885182956 757513061 /nfs/dbraw/zinc/51/30/61/757513061.db2.gz ARIVMMCPCJDLOW-BDAKNGLRSA-N 2 1 186.324 0.630 10 0 ACAEMP C[N@H+]1CCC[C@@H](C[C@@H](O)C[NH3+])C1 238346072 573311720 /nfs/dbraw/zinc/31/17/20/573311720.db2.gz JWWOJJTYPDHABN-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H]1CSCCC[N@@H+]1CC[NH3+] 885348412 757521398 /nfs/dbraw/zinc/52/13/98/757521398.db2.gz FTWLLBKBACAGMF-MRVPVSSYSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@@H]1CSCCC[N@H+]1CC[NH3+] 885348412 757521403 /nfs/dbraw/zinc/52/14/03/757521403.db2.gz FTWLLBKBACAGMF-MRVPVSSYSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@H]1CSCCC[N@@H+]1CC[NH3+] 885348415 757522662 /nfs/dbraw/zinc/52/26/62/757522662.db2.gz FTWLLBKBACAGMF-QMMMGPOBSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@H]1CSCCC[N@H+]1CC[NH3+] 885348415 757522688 /nfs/dbraw/zinc/52/26/88/757522688.db2.gz FTWLLBKBACAGMF-QMMMGPOBSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@H](CCCO)[N@@H+]1CC[C@@H](N)C1 238420549 572701224 /nfs/dbraw/zinc/70/12/24/572701224.db2.gz JQSHZHSTPFDQQW-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@H](CCCO)[N@H+]1CC[C@@H](N)C1 238420549 572701225 /nfs/dbraw/zinc/70/12/25/572701225.db2.gz JQSHZHSTPFDQQW-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@H](CCCO)[N@@H+]1CC[C@@H]([NH3+])C1 238420549 572701227 /nfs/dbraw/zinc/70/12/27/572701227.db2.gz JQSHZHSTPFDQQW-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@H](CCCO)[N@H+]1CC[C@@H]([NH3+])C1 238420549 572701229 /nfs/dbraw/zinc/70/12/29/572701229.db2.gz JQSHZHSTPFDQQW-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP CCn1c[nH+]cc1C[C@@H](C[NH3+])CO 85183119 572701251 /nfs/dbraw/zinc/70/12/51/572701251.db2.gz GSTLIOZSYZJQDX-QMMMGPOBSA-N 2 1 183.255 0.013 10 0 ACAEMP CC[N@@H+]1CC[C@@H](C[NH2+]CCF)C1 87774794 572706486 /nfs/dbraw/zinc/70/64/86/572706486.db2.gz WQFHKPYAYKVNQC-VIFPVBQESA-N 2 1 174.263 0.887 10 0 ACAEMP CC[N@H+]1CC[C@@H](C[NH2+]CCF)C1 87774794 572706490 /nfs/dbraw/zinc/70/64/90/572706490.db2.gz WQFHKPYAYKVNQC-VIFPVBQESA-N 2 1 174.263 0.887 10 0 ACAEMP C[C@H]([NH3+])CCN(C)[C@@H]1CC[N@@H+](C)C1 258692479 573495098 /nfs/dbraw/zinc/49/50/98/573495098.db2.gz FYCPLFKEEVLGCK-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP CC(C)[N@@H+](C)CCn1cncc1C[NH3+] 85198811 572706538 /nfs/dbraw/zinc/70/65/38/572706538.db2.gz GLIYNKPSEGVHQX-UHFFFAOYSA-N 2 1 196.298 0.682 10 0 ACAEMP C[C@H](CCO)[N@@H+]1CCC[C@@H]1C[NH3+] 238434764 572706596 /nfs/dbraw/zinc/70/65/96/572706596.db2.gz DBRFENFGGSDTCG-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@H](CCO)[N@H+]1CCC[C@@H]1C[NH3+] 238434764 572706598 /nfs/dbraw/zinc/70/65/98/572706598.db2.gz DBRFENFGGSDTCG-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP CC(C)[N@H+]1CC[C@@H]([C@@H](O)C[NH3+])C1 258047460 573499677 /nfs/dbraw/zinc/49/96/77/573499677.db2.gz HIJUPVODWMKJQK-BDAKNGLRSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 885461440 757533212 /nfs/dbraw/zinc/53/32/12/757533212.db2.gz UXFHIFRGXAPNMB-ZJUUUORDSA-N 2 1 184.283 0.195 10 0 ACAEMP C[C@@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 885461440 757533227 /nfs/dbraw/zinc/53/32/27/757533227.db2.gz UXFHIFRGXAPNMB-ZJUUUORDSA-N 2 1 184.283 0.195 10 0 ACAEMP C[C@@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 885461437 757533273 /nfs/dbraw/zinc/53/32/73/757533273.db2.gz UXFHIFRGXAPNMB-NXEZZACHSA-N 2 1 184.283 0.195 10 0 ACAEMP C[C@@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 885461437 757533292 /nfs/dbraw/zinc/53/32/92/757533292.db2.gz UXFHIFRGXAPNMB-NXEZZACHSA-N 2 1 184.283 0.195 10 0 ACAEMP CC(C)[N@@H+]1CCC=C[C@H]1C[NH3+] 75414292 573567097 /nfs/dbraw/zinc/56/70/97/573567097.db2.gz BIZIFEOZDCLAPS-VIFPVBQESA-N 2 1 154.257 0.984 10 0 ACAEMP C[C@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 885461439 757537068 /nfs/dbraw/zinc/53/70/68/757537068.db2.gz UXFHIFRGXAPNMB-VHSXEESVSA-N 2 1 184.283 0.195 10 0 ACAEMP C[C@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 885461439 757537085 /nfs/dbraw/zinc/53/70/85/757537085.db2.gz UXFHIFRGXAPNMB-VHSXEESVSA-N 2 1 184.283 0.195 10 0 ACAEMP OSCCC[NH2+][C@H]1CC[NH2+]C1 527079688 572720824 /nfs/dbraw/zinc/72/08/24/572720824.db2.gz UEVDZNHWRFTWDQ-ZETCQYMHSA-N 2 1 175.277 0.407 10 0 ACAEMP CC[N@H+]1CC[C@@H]([C@H](N)C[NH2+]C2CC2)C1 258105479 573723363 /nfs/dbraw/zinc/72/33/63/573723363.db2.gz KNEMTPLGQFPIQN-MWLCHTKSSA-N 2 1 197.326 0.408 10 0 ACAEMP C[C@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 885461438 757543661 /nfs/dbraw/zinc/54/36/61/757543661.db2.gz UXFHIFRGXAPNMB-UWVGGRQHSA-N 2 1 184.283 0.195 10 0 ACAEMP C[C@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 885461438 757543678 /nfs/dbraw/zinc/54/36/78/757543678.db2.gz UXFHIFRGXAPNMB-UWVGGRQHSA-N 2 1 184.283 0.195 10 0 ACAEMP CC[N@H+]1CCCN(C)[C@@H](CC[NH3+])C1 250385778 572722356 /nfs/dbraw/zinc/72/23/56/572722356.db2.gz XMZSZFAEHXHDQO-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP CC[N@H+](CCO)[C@H](C)[C@H](C)[NH3+] 307888533 572733219 /nfs/dbraw/zinc/73/32/19/572733219.db2.gz XDLJBMSFRVVRTO-JGVFFNPUSA-N 2 1 160.261 0.036 10 0 ACAEMP CC[N@@H+](CCO)[C@H](C)[C@H](C)[NH3+] 307888533 572733221 /nfs/dbraw/zinc/73/32/21/572733221.db2.gz XDLJBMSFRVVRTO-JGVFFNPUSA-N 2 1 160.261 0.036 10 0 ACAEMP CC[C@](C)(O)C[N@H+](C)C[C@@H](C)[NH3+] 308102177 572734142 /nfs/dbraw/zinc/73/41/42/572734142.db2.gz GJTOCMRNWHEMDK-BDAKNGLRSA-N 2 1 174.288 0.426 10 0 ACAEMP CC[C@](C)(O)C[N@@H+](C)C[C@@H](C)[NH3+] 308102177 572734146 /nfs/dbraw/zinc/73/41/46/572734146.db2.gz GJTOCMRNWHEMDK-BDAKNGLRSA-N 2 1 174.288 0.426 10 0 ACAEMP CN1CC[N@@H+](CC2CC2)C[C@H]1CC[NH3+] 250395993 572734169 /nfs/dbraw/zinc/73/41/69/572734169.db2.gz QTZKLUQDSOIBKF-LLVKDONJSA-N 2 1 197.326 0.361 10 0 ACAEMP C[N@H+]1CCC[C@]2(CCC[C@@H](C[NH3+])O2)C1 686238270 572735827 /nfs/dbraw/zinc/73/58/27/572735827.db2.gz VZSZNUJLPIQADN-WDEREUQCSA-N 2 1 198.310 0.979 10 0 ACAEMP C[C@H]([NH2+]CCCC[NH3+])[C@@H](C)N 307890057 572735915 /nfs/dbraw/zinc/73/59/15/572735915.db2.gz YMELPBFXMKMDGA-SFYZADRCSA-N 2 1 159.277 0.051 10 0 ACAEMP C[C@H](N)[C@@H](C)[NH2+]CCCC[NH3+] 307890056 572735928 /nfs/dbraw/zinc/73/59/28/572735928.db2.gz YMELPBFXMKMDGA-JGVFFNPUSA-N 2 1 159.277 0.051 10 0 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RLWCXWHPVAQCSP-MNOVXSKESA-N 2 1 198.310 0.395 10 0 ACAEMP CNc1cc(N(C)[C@H](C)C[NH3+])nc[nH+]1 258596846 573229384 /nfs/dbraw/zinc/22/93/84/573229384.db2.gz ATDXKMILPYYSNN-SSDOTTSWSA-N 2 1 195.270 0.302 10 0 ACAEMP C[N@H+]1C[C@H](C[NH3+])[C@@H](N)C12CCCCC2 238321855 573229666 /nfs/dbraw/zinc/22/96/66/573229666.db2.gz ILVDBIFVVRGADK-VHSXEESVSA-N 3 1 197.326 0.537 10 0 ACAEMP C[N@H+]1CCC[C@H]1c1ccnc(C[NH3+])n1 258243919 573234300 /nfs/dbraw/zinc/23/43/00/573234300.db2.gz NJZIHQGDDISNPS-VIFPVBQESA-N 2 1 192.266 0.702 10 0 ACAEMP C[C@]1(C[C@H]2CCC[NH2+]2)[NH2+]CCO1 258243367 573234320 /nfs/dbraw/zinc/23/43/20/573234320.db2.gz AICHRZAIAVEEKI-BDAKNGLRSA-N 2 1 170.256 0.465 10 0 ACAEMP [NH3+]C[C@@H]([NH2+]C1CCOCC1)C1CC1 257975883 573234354 /nfs/dbraw/zinc/23/43/54/573234354.db2.gz ZDNADPKJMOTTTQ-SNVBAGLBSA-N 2 1 184.283 0.492 10 0 ACAEMP CCC[N@@H+](CCO)C(C)(C)C[NH3+] 50091047 573234728 /nfs/dbraw/zinc/23/47/28/573234728.db2.gz SHBLIWHFLMPTGL-UHFFFAOYSA-N 2 1 174.288 0.428 10 0 ACAEMP 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C[NH2+][C@@H]([C@H]1CCC[N@@H+](C)C1)[C@@H](C)O 259391163 573246652 /nfs/dbraw/zinc/24/66/52/573246652.db2.gz RORJWWMBGAVXCY-KXUCPTDWSA-N 2 1 186.299 0.297 10 0 ACAEMP C[N@H+]1CCN2C[C@@H](CC[NH3+])CC[C@@H]2C1 238317445 573246744 /nfs/dbraw/zinc/24/67/44/573246744.db2.gz FYBFYWXIZYLTPK-GHMZBOCLSA-N 2 1 197.326 0.361 10 0 ACAEMP C[C@H](OCC[N@H+]1CC[C@@H](C)C1)C(N)=[NH2+] 308522556 573246771 /nfs/dbraw/zinc/24/67/71/573246771.db2.gz IGKBSJFLRMGOOT-BDAKNGLRSA-N 2 1 199.298 0.669 10 0 ACAEMP C[C@@H]1CC[N@H+](CCO[C@H](C)C(N)=[NH2+])C1 308522559 573246938 /nfs/dbraw/zinc/24/69/38/573246938.db2.gz IGKBSJFLRMGOOT-RKDXNWHRSA-N 2 1 199.298 0.669 10 0 ACAEMP COC[NH2+]CC[C@H]1CCC[N@@H+](C)C1 259048270 573249265 /nfs/dbraw/zinc/24/92/65/573249265.db2.gz JRTIDDCVFTVGBF-SNVBAGLBSA-N 2 1 186.299 0.912 10 0 ACAEMP C[N@H+]1C[C@@H](C[NH3+])[C@@H](N)C12CCCCC2 238317314 573249724 /nfs/dbraw/zinc/24/97/24/573249724.db2.gz ILVDBIFVVRGADK-NXEZZACHSA-N 2 1 197.326 0.537 10 0 ACAEMP 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/nfs/dbraw/zinc/27/30/99/573273099.db2.gz SCDJZOKKNNRCGZ-RKDXNWHRSA-N 2 1 170.256 0.274 10 0 ACAEMP [NH3+]C[C@H]([C@@H]1CCCOC1)[NH+]1CCCC1 74237002 573273199 /nfs/dbraw/zinc/27/31/99/573273199.db2.gz WMCIIRCMYMKDJF-GHMZBOCLSA-N 2 1 198.310 0.836 10 0 ACAEMP C[N@H+]1CC[C@@]2(COCC[C@@H]2CC[NH3+])C1 74236957 573273297 /nfs/dbraw/zinc/27/32/97/573273297.db2.gz GWANJSQOCIDXDJ-QWRGUYRKSA-N 2 1 198.310 0.694 10 0 ACAEMP CC(C)[N@@H+](C)C[C@@](C)(O)C[NH3+] 82915399 573275859 /nfs/dbraw/zinc/27/58/59/573275859.db2.gz IKUNQWJIBDVYDL-QMMMGPOBSA-N 2 1 160.261 0.036 10 0 ACAEMP [NH3+]C[C@]1([NH2+]CCO)CCC[C@@H]2C[C@@H]21 393579690 573275922 /nfs/dbraw/zinc/27/59/22/573275922.db2.gz FOFSJAWFCGQYPF-KXUCPTDWSA-N 2 1 184.283 0.086 10 0 ACAEMP CC(C)[N@@H+](C)C[C@](C)(O)C[NH3+] 82915398 573276188 /nfs/dbraw/zinc/27/61/88/573276188.db2.gz IKUNQWJIBDVYDL-MRVPVSSYSA-N 2 1 160.261 0.036 10 0 ACAEMP NC1=[NH+]C[C@]2(CC[N@H+]3CCCC[C@H]32)O1 123957635 573277236 /nfs/dbraw/zinc/27/72/36/573277236.db2.gz PGQQYLJARQOPCV-WPRPVWTQSA-N 2 1 195.266 0.328 10 0 ACAEMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C)C1 393580525 573279424 /nfs/dbraw/zinc/27/94/24/573279424.db2.gz HCTXOCJFEPKCDK-ZJUUUORDSA-N 2 1 186.299 0.251 10 0 ACAEMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C)C1 393580525 573279430 /nfs/dbraw/zinc/27/94/30/573279430.db2.gz HCTXOCJFEPKCDK-ZJUUUORDSA-N 2 1 186.299 0.251 10 0 ACAEMP COC(=O)C[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] 393580835 573280814 /nfs/dbraw/zinc/28/08/14/573280814.db2.gz GEUXILLSWAGJQV-JGVFFNPUSA-N 2 1 188.271 0.217 10 0 ACAEMP COC(=O)C[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] 393580835 573280820 /nfs/dbraw/zinc/28/08/20/573280820.db2.gz GEUXILLSWAGJQV-JGVFFNPUSA-N 2 1 188.271 0.217 10 0 ACAEMP CN(C)c1nc(N[C@@H]2C[C@H]2[NH3+])cc[nH+]1 82924354 573281123 /nfs/dbraw/zinc/28/11/23/573281123.db2.gz YJWSMSAEHMRDTN-RNFRBKRXSA-N 2 1 193.254 0.054 10 0 ACAEMP C[C@H](C[NH3+])C(=O)[C@@H]1CC[N@@H+](C)C1 259065213 573281184 /nfs/dbraw/zinc/28/11/84/573281184.db2.gz DARWTXCXWOPHRQ-HTQZYQBOSA-N 2 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C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C)C1 393580522 573281823 /nfs/dbraw/zinc/28/18/23/573281823.db2.gz HCTXOCJFEPKCDK-NXEZZACHSA-N 2 1 186.299 0.251 10 0 ACAEMP C[N@H+]1CCc2ncoc2[C@H]1CCC[NH3+] 74244119 573281843 /nfs/dbraw/zinc/28/18/43/573281843.db2.gz OGQDKYPHBRMHGP-SECBINFHSA-N 2 1 195.266 0.943 10 0 ACAEMP Cn1c[nH+]cc1Cn1cnc(C[NH3+])c1 236090266 573281911 /nfs/dbraw/zinc/28/19/11/573281911.db2.gz YTVXFLZMZAGRRR-UHFFFAOYSA-N 2 1 191.238 0.124 10 0 ACAEMP C1C[C@H]2C[N@H+](C3CCOCC3)C[C@H]2[NH2+]1 82923196 573282021 /nfs/dbraw/zinc/28/20/21/573282021.db2.gz WAMKGKXRPPURGF-GXSJLCMTSA-N 2 1 196.294 0.459 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@H](N)C(C)(C)C[NH3+])C1 259402286 573283812 /nfs/dbraw/zinc/28/38/12/573283812.db2.gz OETFFILLWFVUPF-NXEZZACHSA-N 2 1 199.342 0.640 10 0 ACAEMP C[N@@H+]1CCC[C@@H]([C@@H]([NH3+])C(C)(C)C[NH3+])C1 259402286 573283818 /nfs/dbraw/zinc/28/38/18/573283818.db2.gz OETFFILLWFVUPF-NXEZZACHSA-N 3 1 199.342 0.640 10 0 ACAEMP 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/nfs/dbraw/zinc/28/55/59/573285559.db2.gz OETFFILLWFVUPF-VHSXEESVSA-N 2 1 199.342 0.640 10 0 ACAEMP C[N@@H+]1CCC[C@H]([C@@H]([NH3+])C(C)(C)C[NH3+])C1 259402291 573285562 /nfs/dbraw/zinc/28/55/62/573285562.db2.gz OETFFILLWFVUPF-VHSXEESVSA-N 3 1 199.342 0.640 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H]([NH3+])C(C)(C)C[NH3+])C1 259402291 573285567 /nfs/dbraw/zinc/28/55/67/573285567.db2.gz OETFFILLWFVUPF-VHSXEESVSA-N 3 1 199.342 0.640 10 0 ACAEMP CNC(=[NH2+])N(C)C[C@H]1CCC[N@H+]1C 86189305 573286299 /nfs/dbraw/zinc/28/62/99/573286299.db2.gz NIYGVBNPJPKVIM-MRVPVSSYSA-N 2 1 184.287 0.167 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@H](N)C(C)(C)C[NH3+])C1 259402294 573286523 /nfs/dbraw/zinc/28/65/23/573286523.db2.gz OETFFILLWFVUPF-ZJUUUORDSA-N 2 1 199.342 0.640 10 0 ACAEMP C[N@@H+]1CCC[C@@H]([C@H]([NH3+])C(C)(C)C[NH3+])C1 259402294 573286529 /nfs/dbraw/zinc/28/65/29/573286529.db2.gz OETFFILLWFVUPF-ZJUUUORDSA-N 3 1 199.342 0.640 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@H]([NH3+])C(C)(C)C[NH3+])C1 259402294 573286535 /nfs/dbraw/zinc/28/65/35/573286535.db2.gz OETFFILLWFVUPF-ZJUUUORDSA-N 3 1 199.342 0.640 10 0 ACAEMP C[NH2+]C[C@H](F)[C@@H]1CCC[NH2+]1 258490332 573288494 /nfs/dbraw/zinc/28/84/94/573288494.db2.gz JZPYDPACCKEARQ-BQBZGAKWSA-N 2 1 146.209 0.296 10 0 ACAEMP C[C@@H]1C[NH2+]CC[C@]12CC[N@@H+](C)C2 86192257 573290649 /nfs/dbraw/zinc/29/06/49/573290649.db2.gz ASCYNGZCPSSRFZ-NXEZZACHSA-N 2 1 168.284 0.938 10 0 ACAEMP C[N@H+]1CCC[C@@H]1[C@@H]1C[NH2+][C@](C)(CO)C1 258280047 573290664 /nfs/dbraw/zinc/29/06/64/573290664.db2.gz SNQPUAMFENGAPT-AXFHLTTASA-N 2 1 198.310 0.441 10 0 ACAEMP C[N@H+]1CCC[C@@H]1[C@@H]1C[NH2+][C@@](C)(CO)C1 258280051 573290680 /nfs/dbraw/zinc/29/06/80/573290680.db2.gz SNQPUAMFENGAPT-HBNTYKKESA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@H]1C[NH2+]CC[C@@]12CC[N@@H+](C)C2 86192256 573290829 /nfs/dbraw/zinc/29/08/29/573290829.db2.gz ASCYNGZCPSSRFZ-UWVGGRQHSA-N 2 1 168.284 0.938 10 0 ACAEMP C[N@H+]1CC[C@H](C(=O)[C@@H]2CC[NH2+]C2)C1 259071515 573290846 /nfs/dbraw/zinc/29/08/46/573290846.db2.gz DRQLJRVWDGVTPH-BDAKNGLRSA-N 2 1 182.267 0.117 10 0 ACAEMP C[C@@H]([NH+]1CCN(C)CC1)C1(C[NH3+])CC1 257995685 573293930 /nfs/dbraw/zinc/29/39/30/573293930.db2.gz FVEWZGHPEJXNMK-SNVBAGLBSA-N 2 1 197.326 0.361 10 0 ACAEMP CC[N@H+]1CC[C@@H]([C@@H](O)C[NH2+]C2CC2)C1 257997707 573293963 /nfs/dbraw/zinc/29/39/63/573293963.db2.gz DOFWMZOLGKOPTE-KOLCDFICSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@@H](C[NH3+])CC(=O)[C@H]1CC[N@@H+](C)C1 259073413 573293968 /nfs/dbraw/zinc/29/39/68/573293968.db2.gz DSIUGIJMALFLQH-BDAKNGLRSA-N 2 1 184.283 0.492 10 0 ACAEMP CC[N@H+]1CC[C@H]([C@@H]([NH3+])COC)C1 257995766 573294029 /nfs/dbraw/zinc/29/40/29/573294029.db2.gz DNANFYUSMBGDME-IUCAKERBSA-N 2 1 172.272 0.302 10 0 ACAEMP C[N@H+]1CCC[C@H]1C[C@@H](F)C[NH3+] 258622614 573294036 /nfs/dbraw/zinc/29/40/36/573294036.db2.gz WXDZEIICEQOBOY-SFYZADRCSA-N 2 1 160.236 0.768 10 0 ACAEMP CC[N@H+]1CC[C@@H]([C@H]([NH3+])COC)C1 257995769 573294175 /nfs/dbraw/zinc/29/41/75/573294175.db2.gz DNANFYUSMBGDME-RKDXNWHRSA-N 2 1 172.272 0.302 10 0 ACAEMP C[N@H+]1CCC[C@H](C(=O)C2(C[NH3+])CC2)C1 259071514 573294304 /nfs/dbraw/zinc/29/43/04/573294304.db2.gz DRPGNEKHOABKOU-VIFPVBQESA-N 2 1 196.294 0.636 10 0 ACAEMP CC[N@H+]1CC[C@@H]([C@H](O)C[NH2+]C2CC2)C1 257997712 573294311 /nfs/dbraw/zinc/29/43/11/573294311.db2.gz DOFWMZOLGKOPTE-MWLCHTKSSA-N 2 1 198.310 0.441 10 0 ACAEMP C[N@@H+]1CC[C@@H](Cc2nc(C[NH3+])no2)C1 257997919 573296438 /nfs/dbraw/zinc/29/64/38/573296438.db2.gz LXNBXZBTBGHOMA-ZETCQYMHSA-N 2 1 196.254 0.023 10 0 ACAEMP C[N@H+]1CC[C@@H](Cc2nc(C[NH3+])no2)C1 257997919 573296443 /nfs/dbraw/zinc/29/64/43/573296443.db2.gz LXNBXZBTBGHOMA-ZETCQYMHSA-N 2 1 196.254 0.023 10 0 ACAEMP C[N@@H+](CC1CCCC1)C[C@H](N)C[NH3+] 259072184 573296563 /nfs/dbraw/zinc/29/65/63/573296563.db2.gz QTYVEHZQGBVCHD-SNVBAGLBSA-N 2 1 185.315 0.394 10 0 ACAEMP C[N@H+](CC1CCCC1)C[C@H](N)C[NH3+] 259072184 573296568 /nfs/dbraw/zinc/29/65/68/573296568.db2.gz QTYVEHZQGBVCHD-SNVBAGLBSA-N 2 1 185.315 0.394 10 0 ACAEMP C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@]2(CO)C1 238336944 573296968 /nfs/dbraw/zinc/29/69/68/573296968.db2.gz SNGVJTFKYXBCLN-ZJUUUORDSA-N 2 1 184.283 0.053 10 0 ACAEMP C[N@H+]1CC[C@H]2[NH2+]CCC[C@@]2(CO)C1 238336944 573296972 /nfs/dbraw/zinc/29/69/72/573296972.db2.gz SNGVJTFKYXBCLN-ZJUUUORDSA-N 2 1 184.283 0.053 10 0 ACAEMP C[N@H+]1[C@H]2CC[C@@H]1[C@H]1C[NH2+]C[C@@H]21 238335497 573298157 /nfs/dbraw/zinc/29/81/57/573298157.db2.gz BRULRIFZNCHLMK-OJOKCITNSA-N 2 1 152.241 0.298 10 0 ACAEMP C[NH2+]CC/C=C\C[NH+]1CCN(C)CC1 257998796 573298163 /nfs/dbraw/zinc/29/81/63/573298163.db2.gz AGNRKBVPBZNYDB-HYXAFXHYSA-N 2 1 197.326 0.400 10 0 ACAEMP CCO[C@@H]1C[C@@H]1C[NH2+]CC[NH2+]C1CC1 689944079 573298025 /nfs/dbraw/zinc/29/80/25/573298025.db2.gz ABPVNVQAHIHXHF-MWLCHTKSSA-N 2 1 198.310 0.753 10 0 ACAEMP CN1CC[C@H]2C[C@@H](CC[NH3+])C[N@H+]2CC1 238336630 573298095 /nfs/dbraw/zinc/29/80/95/573298095.db2.gz GPTXWINMORBXBP-MNOVXSKESA-N 3 1 197.326 0.361 10 0 ACAEMP C[N@@H+]1CC[C@H]2C[C@@H](CC[NH3+])C[NH+]2CC1 238336630 573298101 /nfs/dbraw/zinc/29/81/01/573298101.db2.gz GPTXWINMORBXBP-MNOVXSKESA-N 3 1 197.326 0.361 10 0 ACAEMP C[N@H+]1CC[C@H]2C[C@@H](CC[NH3+])C[NH+]2CC1 238336630 573298104 /nfs/dbraw/zinc/29/81/04/573298104.db2.gz GPTXWINMORBXBP-MNOVXSKESA-N 3 1 197.326 0.361 10 0 ACAEMP C[NH+]1CC[C@H]2C[C@@H](CC[NH3+])C[N@@H+]2CC1 238336630 573298109 /nfs/dbraw/zinc/29/81/09/573298109.db2.gz GPTXWINMORBXBP-MNOVXSKESA-N 3 1 197.326 0.361 10 0 ACAEMP C[NH+]1CC[C@H]2C[C@@H](CC[NH3+])C[N@H+]2CC1 238336630 573298114 /nfs/dbraw/zinc/29/81/14/573298114.db2.gz GPTXWINMORBXBP-MNOVXSKESA-N 3 1 197.326 0.361 10 0 ACAEMP CCC[C@@H]([NH3+])[C@]1(O)CCC[N@@H+](C)C1 74279868 573298146 /nfs/dbraw/zinc/29/81/46/573298146.db2.gz WWESUINGOGZLAC-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP CC[N@H+]1CC[C@@H]([C@]2(CO)CCC[NH2+]2)C1 258000001 573305840 /nfs/dbraw/zinc/30/58/40/573305840.db2.gz GAJHDXHKBHTOTK-GHMZBOCLSA-N 2 1 198.310 0.443 10 0 ACAEMP COC[C@H](C)[C@H](C)[NH2+]CC[NH3+] 393583485 573305949 /nfs/dbraw/zinc/30/59/49/573305949.db2.gz MJAWGDYXTQGLNG-YUMQZZPRSA-N 2 1 160.261 0.206 10 0 ACAEMP C[C@@H]1C[C@]1(C[NH3+])[C@H]1CC[N@@H+](C)C1 259075558 573306237 /nfs/dbraw/zinc/30/62/37/573306237.db2.gz YSSXECWFGQLWDU-KXUCPTDWSA-N 2 1 168.284 0.923 10 0 ACAEMP COC[C@H](C)[C@@H](C)[NH2+]CC[NH3+] 393583480 573308055 /nfs/dbraw/zinc/30/80/55/573308055.db2.gz MJAWGDYXTQGLNG-JGVFFNPUSA-N 2 1 160.261 0.206 10 0 ACAEMP CC[C@H](CO)[C@@H]([NH3+])[C@H]1CC[N@@H+](C)C1 259411882 573308138 /nfs/dbraw/zinc/30/81/38/573308138.db2.gz MHQAFXFALHRQBJ-KXUCPTDWSA-N 2 1 186.299 0.284 10 0 ACAEMP CC[C@H](CO)[C@@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259411884 573308155 /nfs/dbraw/zinc/30/81/55/573308155.db2.gz MHQAFXFALHRQBJ-OPRDCNLKSA-N 2 1 186.299 0.284 10 0 ACAEMP CC(C)[N@@H+]1CC=C(C[NH3+])CC1 258253428 573308161 /nfs/dbraw/zinc/30/81/61/573308161.db2.gz XYECXHJJLYOPIQ-UHFFFAOYSA-N 2 1 154.257 0.986 10 0 ACAEMP Cn1c[nH+]c2c1CC[C@H](CC[NH3+])C2 74304427 573308536 /nfs/dbraw/zinc/30/85/36/573308536.db2.gz ZHEVAHARYABRBE-MRVPVSSYSA-N 2 1 179.267 0.874 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@H]([NH3+])CCO)C1 238346829 573310149 /nfs/dbraw/zinc/31/01/49/573310149.db2.gz KSWSLADFDYTNPK-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP Cn1c[nH+]c2c1CC[C@@H](CC[NH3+])C2 74304428 573310264 /nfs/dbraw/zinc/31/02/64/573310264.db2.gz ZHEVAHARYABRBE-QMMMGPOBSA-N 2 1 179.267 0.874 10 0 ACAEMP C[C@@H]1CCNCC[N@H+]1C[C@@H]1CCOC1 82942924 573310279 /nfs/dbraw/zinc/31/02/79/573310279.db2.gz GUFUJMCXOLHXKI-MNOVXSKESA-N 2 1 198.310 0.707 10 0 ACAEMP C[C@@H]1CC[NH2+]CCN1C[C@@H]1CCOC1 82942924 573310283 /nfs/dbraw/zinc/31/02/83/573310283.db2.gz GUFUJMCXOLHXKI-MNOVXSKESA-N 2 1 198.310 0.707 10 0 ACAEMP C[C@H](CC[NH3+])[NH2+]CCC[NH+](C)C 259415686 573314053 /nfs/dbraw/zinc/31/40/53/573314053.db2.gz YXPIDEQWLGHDQV-SECBINFHSA-N 3 1 173.304 0.265 10 0 ACAEMP CC1(C)[C@H]2OCCC[C@@H]2[C@H]1[NH2+]CC[NH3+] 82945430 573314465 /nfs/dbraw/zinc/31/44/65/573314465.db2.gz JFOVUDHMSATNLD-BBBLOLIVSA-N 2 1 198.310 0.738 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H]2C[NH2+]C[C@@H]2F)C1 259606611 573324167 /nfs/dbraw/zinc/32/41/67/573324167.db2.gz DIIFTRGGULNDSC-GUBZILKMSA-N 2 1 186.274 0.886 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H]2C[NH2+]C[C@H]2F)C1 259606618 573323842 /nfs/dbraw/zinc/32/38/42/573323842.db2.gz DIIFTRGGULNDSC-LPEHRKFASA-N 2 1 186.274 0.886 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])C(C)(C)O)C1 259418033 573328341 /nfs/dbraw/zinc/32/83/41/573328341.db2.gz MPPPMKCOWYKCLV-HTQZYQBOSA-N 2 1 172.272 0.036 10 0 ACAEMP CO[C@@H]1C[C@@H]([NH2+]CC[NH3+])C12CCC2 308348752 573328366 /nfs/dbraw/zinc/32/83/66/573328366.db2.gz RREXTXXAUBZWCB-RKDXNWHRSA-N 2 1 184.283 0.492 10 0 ACAEMP CC1(C)C([NH2+]CC[NH3+])C1(C)C 86241140 573328367 /nfs/dbraw/zinc/32/83/67/573328367.db2.gz OFMRBGVPNGZSBC-UHFFFAOYSA-N 2 1 156.273 0.969 10 0 ACAEMP C[C@H]1CN([C@@H]2CC[NH2+]C2)CCC[N@H+]1C 258002940 573328382 /nfs/dbraw/zinc/32/83/82/573328382.db2.gz GGPPHZDUFMFOEG-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP CCCC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 50250324 573337666 /nfs/dbraw/zinc/33/76/66/573337666.db2.gz WIYNCFNUGLFKTK-SECBINFHSA-N 2 1 184.283 0.636 10 0 ACAEMP COCC[N@H+]1C[C@@H](C[NH3+])CC1(C)C 259422258 573339060 /nfs/dbraw/zinc/33/90/60/573339060.db2.gz NMYJLACMGDUUTP-SECBINFHSA-N 2 1 186.299 0.692 10 0 ACAEMP [NH3+][C@@H]1CC[N@H+]2CCC[C@H]2[C@H]1F 258633321 573339183 /nfs/dbraw/zinc/33/91/83/573339183.db2.gz YAXOQXSUMOPEMO-CSMHCCOUSA-N 2 1 158.220 0.520 10 0 ACAEMP C[C@H]1C[C@@H](NCCC[NH+](C)C)C[N@H+]1C 129554893 573341614 /nfs/dbraw/zinc/34/16/14/573341614.db2.gz IJOQTSFXBBYNPV-WDEREUQCSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[N@H+]1CC[C@H]([C@@H]2C[NH2+][C@@H](CO)C2)C1 258292258 573341704 /nfs/dbraw/zinc/34/17/04/573341704.db2.gz UBANBERVZYHJGW-GARJFASQSA-N 2 1 198.310 0.299 10 0 ACAEMP CSCC[C@H](C[NH3+])[NH2+]C1CC1 50271344 573341732 /nfs/dbraw/zinc/34/17/32/573341732.db2.gz HLTMXTKLGFERGV-MRVPVSSYSA-N 2 1 174.313 0.819 10 0 ACAEMP C[N@H+]1CC2(CC[NH2+]CC2)C[C@H]1CO 238356306 573341764 /nfs/dbraw/zinc/34/17/64/573341764.db2.gz FXXLZVKEKWQFBF-VIFPVBQESA-N 2 1 184.283 0.053 10 0 ACAEMP COC[C@H](C)[N@@H+](C)CCC1C[NH2+]C1 129577997 573341793 /nfs/dbraw/zinc/34/17/93/573341793.db2.gz AEERCFYJZOTSDY-VIFPVBQESA-N 2 1 186.299 0.563 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@]2(CO)CCC[NH2+]2)C1 258289769 573341903 /nfs/dbraw/zinc/34/19/03/573341903.db2.gz VRFMMQXQBIIVTR-WDEREUQCSA-N 2 1 198.310 0.443 10 0 ACAEMP CC[N@@H+]1CC[C@H]([C@H]2[NH2+]C[C@@H](C)CO2)C1 258308071 573341931 /nfs/dbraw/zinc/34/19/31/573341931.db2.gz CRRLDBZCXMYLMT-VWYCJHECSA-N 2 1 198.310 0.910 10 0 ACAEMP CC[N@H+]1CC[C@H]([C@H]2[NH2+]C[C@@H](C)CO2)C1 258308071 573341940 /nfs/dbraw/zinc/34/19/40/573341940.db2.gz CRRLDBZCXMYLMT-VWYCJHECSA-N 2 1 198.310 0.910 10 0 ACAEMP [NH3+]C[C@@H]([NH2+]C1CC1)[C@H]1CCOC1 50271232 573343281 /nfs/dbraw/zinc/34/32/81/573343281.db2.gz IUQLQVXSDILQTC-IONNQARKSA-N 2 1 170.256 0.102 10 0 ACAEMP CC(C)[NH2+][C@@H](C[NH3+])[C@@H]1CCOC1 50270894 573343303 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/nfs/dbraw/zinc/36/57/22/573365722.db2.gz FFHDERMLBRXDAU-PSASIEDQSA-N 2 1 183.299 0.017 10 0 ACAEMP [NH3+][C@@H]1CC[NH2+][C@@H](c2ccccn2)C1 107126031 573365738 /nfs/dbraw/zinc/36/57/38/573365738.db2.gz KDEQGOLHOVRJFS-PSASIEDQSA-N 2 1 177.251 0.833 10 0 ACAEMP CC(C)[N@H+]1CC[C@H](C(C[NH3+])C[NH3+])C1 258316847 573365886 /nfs/dbraw/zinc/36/58/86/573365886.db2.gz XMAHHTCYVDCMGW-VIFPVBQESA-N 2 1 185.315 0.250 10 0 ACAEMP C[N@@H+](C[C@H](O)C1CC1)[C@@H]1CC[C@@H]([NH3+])C1 690177951 573373145 /nfs/dbraw/zinc/37/31/45/573373145.db2.gz JXFLWMIDYHWFMM-MXWKQRLJSA-N 2 1 198.310 0.569 10 0 ACAEMP [NH3+]C[C@]1(O)CCC[N@H+](C2CCC2)CC1 258015008 573373212 /nfs/dbraw/zinc/37/32/12/573373212.db2.gz HNJDXLREKFKAAM-NSHDSACASA-N 2 1 198.310 0.715 10 0 ACAEMP Cc1c[nH]c(C[C@H](C)C[NH3+])[nH+]1 259099745 573373406 /nfs/dbraw/zinc/37/34/06/573373406.db2.gz NXTIKIAYVJFETA-LURJTMIESA-N 2 1 153.229 0.855 10 0 ACAEMP C[C@@H]1CN([C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258014790 573374101 /nfs/dbraw/zinc/37/41/01/573374101.db2.gz GVRHRAFWYVNVEV-GHMZBOCLSA-N 2 1 197.326 0.374 10 0 ACAEMP C[C@H]1CN([C@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258014794 573374206 /nfs/dbraw/zinc/37/42/06/573374206.db2.gz GVRHRAFWYVNVEV-QWRGUYRKSA-N 2 1 197.326 0.374 10 0 ACAEMP COCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 133087956 573374252 /nfs/dbraw/zinc/37/42/52/573374252.db2.gz VPBBFVXKAUOKHQ-NXEZZACHSA-N 2 1 186.299 0.550 10 0 ACAEMP C[N@@H+](C[C@H](O)C1CC1)[C@H]1CC[C@@H]([NH3+])C1 690177953 573374343 /nfs/dbraw/zinc/37/43/43/573374343.db2.gz JXFLWMIDYHWFMM-VWYCJHECSA-N 2 1 198.310 0.569 10 0 ACAEMP CSC[C@@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 258331448 573374411 /nfs/dbraw/zinc/37/44/11/573374411.db2.gz YOUGXHHTPIRTKB-HTQZYQBOSA-N 2 1 174.313 0.628 10 0 ACAEMP C[N@@H+](C[C@H](O)C1CC1)[C@H]1CC[C@H]([NH3+])C1 690177948 573374423 /nfs/dbraw/zinc/37/44/23/573374423.db2.gz JXFLWMIDYHWFMM-DCAQKATOSA-N 2 1 198.310 0.569 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H]2C[NH2+][C@H](CO)C2)C1 258331695 573374488 /nfs/dbraw/zinc/37/44/88/573374488.db2.gz XBCAYXFGPLCUEH-AXFHLTTASA-N 2 1 198.310 0.299 10 0 ACAEMP C[NH2+][C@H](C)N1CCC[N@@H+](C)CC1 258332173 573374808 /nfs/dbraw/zinc/37/48/08/573374808.db2.gz YHNSEURSZZPZOA-VIFPVBQESA-N 2 1 171.288 0.189 10 0 ACAEMP C[C@H]1CN([C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258014797 573374823 /nfs/dbraw/zinc/37/48/23/573374823.db2.gz GVRHRAFWYVNVEV-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP C[C@@H]1CN([C@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258014793 573374855 /nfs/dbraw/zinc/37/48/55/573374855.db2.gz GVRHRAFWYVNVEV-MNOVXSKESA-N 2 1 197.326 0.374 10 0 ACAEMP C[N@@H+]1CC[C@@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258331912 573374934 /nfs/dbraw/zinc/37/49/34/573374934.db2.gz DRPOEYRQPFLPMY-RKDXNWHRSA-N 2 1 184.283 0.663 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258331912 573374938 /nfs/dbraw/zinc/37/49/38/573374938.db2.gz DRPOEYRQPFLPMY-RKDXNWHRSA-N 2 1 184.283 0.663 10 0 ACAEMP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]1 107141717 573378593 /nfs/dbraw/zinc/37/85/93/573378593.db2.gz IAEXXAVVHGBSLY-WDEREUQCSA-N 2 1 198.310 0.585 10 0 ACAEMP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]1 107141717 573378598 /nfs/dbraw/zinc/37/85/98/573378598.db2.gz IAEXXAVVHGBSLY-WDEREUQCSA-N 2 1 198.310 0.585 10 0 ACAEMP CC[C@@]1(C)[C@@H]([NH3+])CC[N@H+]1C 107156957 573378613 /nfs/dbraw/zinc/37/86/13/573378613.db2.gz UWDJOXHAWVGLEE-YUMQZZPRSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[C@]1(C)[C@@H]([NH3+])CC[N@H+]1C 107156956 573378665 /nfs/dbraw/zinc/37/86/65/573378665.db2.gz UWDJOXHAWVGLEE-JGVFFNPUSA-N 2 1 142.246 0.818 10 0 ACAEMP C[N@H+]1CCC[C@@]2(CC1)C[C@@H]2[NH3+] 107158204 573385741 /nfs/dbraw/zinc/38/57/41/573385741.db2.gz WCBIHMAVPRSRHE-DTWKUNHWSA-N 2 1 154.257 0.820 10 0 ACAEMP COC[C@H]([NH3+])C[NH2+]C[C@@H](C)C1CC1 133245253 573389356 /nfs/dbraw/zinc/38/93/56/573389356.db2.gz JSUTXKFVCQIINF-PSASIEDQSA-N 2 1 186.299 0.596 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)CN(C)[C@@H]1CC[N@@H+](C)C1 308570135 573393621 /nfs/dbraw/zinc/39/36/21/573393621.db2.gz JTDBWPYMQWVEQN-GARJFASQSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)C[N@H+](C)[C@@H]1CCN(C)C1 308570135 573393624 /nfs/dbraw/zinc/39/36/24/573393624.db2.gz JTDBWPYMQWVEQN-GARJFASQSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1 308570135 573393630 /nfs/dbraw/zinc/39/36/30/573393630.db2.gz JTDBWPYMQWVEQN-GARJFASQSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)[N@H+](C)C[C@@H](O)C1CC1 690183545 573393652 /nfs/dbraw/zinc/39/36/52/573393652.db2.gz ZFUNOXGTTYQMJS-QXFUBDJGSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)C[C@@H](O)C1CC1 690183545 573393660 /nfs/dbraw/zinc/39/36/60/573393660.db2.gz ZFUNOXGTTYQMJS-QXFUBDJGSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)CN(C)[C@H]1CC[N@@H+](C)C1 308570137 573393838 /nfs/dbraw/zinc/39/38/38/573393838.db2.gz JTDBWPYMQWVEQN-VWYCJHECSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)C[N@H+](C)[C@H]1CCN(C)C1 308570137 573393845 /nfs/dbraw/zinc/39/38/45/573393845.db2.gz JTDBWPYMQWVEQN-VWYCJHECSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)C[N@@H+](C)[C@H]1CCN(C)C1 308570137 573393848 /nfs/dbraw/zinc/39/38/48/573393848.db2.gz JTDBWPYMQWVEQN-VWYCJHECSA-N 2 1 199.342 0.606 10 0 ACAEMP C[NH2+][C@H](C)[C@@H](C)N(C)[C@H]1CC[N@@H+](C)C1 308570633 573393900 /nfs/dbraw/zinc/39/39/00/573393900.db2.gz KCDMBQLMOYRETJ-MXWKQRLJSA-N 2 1 199.342 0.619 10 0 ACAEMP C[C@@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091521 573394065 /nfs/dbraw/zinc/39/40/65/573394065.db2.gz WIAHYIPMQXBHGI-MRVPVSSYSA-N 2 1 154.257 0.833 10 0 ACAEMP CSCC[N@@H+]1CCC[NH2+]CC1 83093504 573394126 /nfs/dbraw/zinc/39/41/26/573394126.db2.gz SIKUNMVXZZYGTC-UHFFFAOYSA-N 2 1 174.313 0.645 10 0 ACAEMP CSCC[N@H+]1CCC[NH2+]CC1 83093504 573394133 /nfs/dbraw/zinc/39/41/33/573394133.db2.gz SIKUNMVXZZYGTC-UHFFFAOYSA-N 2 1 174.313 0.645 10 0 ACAEMP C[N@@H+](CCCC[NH3+])C(C)(C)CO 133330643 573395160 /nfs/dbraw/zinc/39/51/60/573395160.db2.gz MZCXJDDSXHHMQI-UHFFFAOYSA-N 2 1 174.288 0.428 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@H+](C)C[C@H](O)C1CC1 690183541 573395343 /nfs/dbraw/zinc/39/53/43/573395343.db2.gz ZFUNOXGTTYQMJS-NRPADANISA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@@H+](C)C[C@H](O)C1CC1 690183541 573395347 /nfs/dbraw/zinc/39/53/47/573395347.db2.gz ZFUNOXGTTYQMJS-NRPADANISA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]1C[N@@H+]([C@@H]2CCCOC2)CCC[NH2+]1 83093369 573395402 /nfs/dbraw/zinc/39/54/02/573395402.db2.gz GAGZSEZXBHCMRZ-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP C[NH2+][C@@H](OC)[C@H]1CCC[N@H+](C)C1 259438291 573395495 /nfs/dbraw/zinc/39/54/95/573395495.db2.gz ZQDMHYYKHRSDNW-IUCAKERBSA-N 2 1 172.272 0.520 10 0 ACAEMP C[NH2+][C@@H](OC)[C@H]1CCC[N@@H+](C)C1 259438291 573395500 /nfs/dbraw/zinc/39/55/00/573395500.db2.gz ZQDMHYYKHRSDNW-IUCAKERBSA-N 2 1 172.272 0.520 10 0 ACAEMP C[NH2+][C@@H](OC)[C@@H]1CCC[N@H+](C)C1 259438285 573395542 /nfs/dbraw/zinc/39/55/42/573395542.db2.gz ZQDMHYYKHRSDNW-BDAKNGLRSA-N 2 1 172.272 0.520 10 0 ACAEMP C[NH2+][C@@H](OC)[C@@H]1CCC[N@@H+](C)C1 259438285 573395544 /nfs/dbraw/zinc/39/55/44/573395544.db2.gz ZQDMHYYKHRSDNW-BDAKNGLRSA-N 2 1 172.272 0.520 10 0 ACAEMP C[NH2+]CCC[C@@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259438206 573395601 /nfs/dbraw/zinc/39/56/01/573395601.db2.gz PWOBWLUSDVDLFV-NXEZZACHSA-N 3 1 185.315 0.265 10 0 ACAEMP C[NH2+][C@H](C)[C@H](C)N(C)[C@@H]1CC[N@@H+](C)C1 308570635 573395962 /nfs/dbraw/zinc/39/59/62/573395962.db2.gz KCDMBQLMOYRETJ-OUAUKWLOSA-N 2 1 199.342 0.619 10 0 ACAEMP Cc1noc([C@@H]2CC[N@H+](C)C2)c1C[NH3+] 257810353 573396017 /nfs/dbraw/zinc/39/60/17/573396017.db2.gz AHTXDICRUGMPKW-MRVPVSSYSA-N 2 1 195.266 0.861 10 0 ACAEMP C[NH2+][C@H](OC)[C@@H]1CCC[N@H+](C)C1 259438293 573396080 /nfs/dbraw/zinc/39/60/80/573396080.db2.gz ZQDMHYYKHRSDNW-RKDXNWHRSA-N 2 1 172.272 0.520 10 0 ACAEMP C[NH2+][C@H](OC)[C@@H]1CCC[N@@H+](C)C1 259438293 573396083 /nfs/dbraw/zinc/39/60/83/573396083.db2.gz ZQDMHYYKHRSDNW-RKDXNWHRSA-N 2 1 172.272 0.520 10 0 ACAEMP C[NH2+]CC12CC[NH+](CC1)C2 211728704 573396187 /nfs/dbraw/zinc/39/61/87/573396187.db2.gz RQYZQWYERPKEHA-UHFFFAOYSA-N 2 1 140.230 0.302 10 0 ACAEMP CC[C@@H](CC[NH3+])[N@@H+](C)C(C)(C)CO 133329099 573396282 /nfs/dbraw/zinc/39/62/82/573396282.db2.gz JFZXQJBJNULTJK-VIFPVBQESA-N 2 1 188.315 0.817 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@](C)([NH3+])CCCO)C1 259095225 573401290 /nfs/dbraw/zinc/40/12/90/573401290.db2.gz CBJQJGLDDSIIFG-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP C1C[NH2+][C@H](CC[NH+]2CCCC2)OC1 258343412 573401337 /nfs/dbraw/zinc/40/13/37/573401337.db2.gz FGWJDPIKCGECIK-JTQLQIEISA-N 2 1 184.283 0.808 10 0 ACAEMP COCC1(C[N@@H+]2CC[C@H]([NH3+])C2)CCC1 308572302 573401602 /nfs/dbraw/zinc/40/16/02/573401602.db2.gz KYJXPBFTFMXXGJ-JTQLQIEISA-N 2 1 198.310 0.836 10 0 ACAEMP COCC1(C[N@H+]2CC[C@H]([NH3+])C2)CCC1 308572302 573401610 /nfs/dbraw/zinc/40/16/10/573401610.db2.gz KYJXPBFTFMXXGJ-JTQLQIEISA-N 2 1 198.310 0.836 10 0 ACAEMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C1 248084313 573402918 /nfs/dbraw/zinc/40/29/18/573402918.db2.gz DHRSEFHEMFDQFZ-WDEREUQCSA-N 2 1 198.310 0.707 10 0 ACAEMP CC[NH+]1CC(n2nccc2[C@H](C)[NH3+])C1 257810540 573402692 /nfs/dbraw/zinc/40/26/92/573402692.db2.gz ALFMKVQOYQXNAR-QMMMGPOBSA-N 2 1 194.282 0.779 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1C/C=C/C[NH3+] 235594777 573404143 /nfs/dbraw/zinc/40/41/43/573404143.db2.gz RGZBSZAVCSSLCR-FSIBCCDJSA-N 2 1 183.299 0.137 10 0 ACAEMP C[C@H]1CN(C)CC[N@@H+]1C/C=C/C[NH3+] 235594777 573404147 /nfs/dbraw/zinc/40/41/47/573404147.db2.gz RGZBSZAVCSSLCR-FSIBCCDJSA-N 2 1 183.299 0.137 10 0 ACAEMP C[C@H]1CN(C)CC[N@H+]1C/C=C/C[NH3+] 235594777 573404151 /nfs/dbraw/zinc/40/41/51/573404151.db2.gz RGZBSZAVCSSLCR-FSIBCCDJSA-N 2 1 183.299 0.137 10 0 ACAEMP Cc1cc(C[NH2+][C@H]2CC[C@H]([NH3+])C2)on1 86400082 573404270 /nfs/dbraw/zinc/40/42/70/573404270.db2.gz PBWKXSYPINYFOH-IUCAKERBSA-N 2 1 195.266 0.952 10 0 ACAEMP Cc1n[nH]cc1CN[C@@H]1CC[C@@H]([NH3+])C1 86399454 573404372 /nfs/dbraw/zinc/40/43/72/573404372.db2.gz 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FLCMOBWCTSHEKB-QWRGUYRKSA-N 2 1 198.310 0.835 10 0 ACAEMP CCC[NH2+]C[C@@H](O)Cn1cc[nH+]c1C 34978550 572008563 /nfs/dbraw/zinc/00/85/63/572008563.db2.gz WGDVFMDVCFDGDY-SNVBAGLBSA-N 2 1 197.282 0.552 10 0 ACAEMP CC[N@H+]1CCN(C[C@H](C)[NH2+]C)[C@@H](C)C1 250204534 572014664 /nfs/dbraw/zinc/01/46/64/572014664.db2.gz BUGBOWZLGUAXJM-QWRGUYRKSA-N 2 1 199.342 0.620 10 0 ACAEMP C[NH2+]CCC[N@@H+](C)C1CC1 42409498 572014685 /nfs/dbraw/zinc/01/46/85/572014685.db2.gz OYHITMNXCJWVFF-UHFFFAOYSA-N 2 1 142.246 0.690 10 0 ACAEMP CC[C@@H]1[C@@H](O)[C@H](C[NH3+])CC[N@H+]1C 107225561 573485051 /nfs/dbraw/zinc/48/50/51/573485051.db2.gz WDPDCNHYDCMQGD-YIZRAAEISA-N 2 1 172.272 0.036 10 0 ACAEMP C1C[NH2+][C@H]([NH2+]CC2CC[NH2+]CC2)C1 257818965 573485159 /nfs/dbraw/zinc/48/51/59/573485159.db2.gz FDWMMRSZCIQGIL-SNVBAGLBSA-N 3 1 183.299 0.285 10 0 ACAEMP C[C@H]1CN(C)CC[N@H+]1CCCC(N)=[NH2+] 235579225 572018420 /nfs/dbraw/zinc/01/84/20/572018420.db2.gz PURIQAOWWBYLHJ-VIFPVBQESA-N 2 1 198.314 0.338 10 0 ACAEMP C[C@H]1C[N@H+](C)CCN1CCCC(N)=[NH2+] 235579225 572018421 /nfs/dbraw/zinc/01/84/21/572018421.db2.gz PURIQAOWWBYLHJ-VIFPVBQESA-N 2 1 198.314 0.338 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1CCCC(N)=[NH2+] 235579225 572018422 /nfs/dbraw/zinc/01/84/22/572018422.db2.gz PURIQAOWWBYLHJ-VIFPVBQESA-N 2 1 198.314 0.338 10 0 ACAEMP C[C@H](CC(N)=[NH2+])[N@@H+](C)[C@H]1CCCOC1 300234142 572018551 /nfs/dbraw/zinc/01/85/51/572018551.db2.gz TVLBKNXXOVPTDH-BDAKNGLRSA-N 2 1 199.298 0.812 10 0 ACAEMP C[C@H](C[NH3+])C[N@@H+]1CCOCC1(C)C 42461251 572021489 /nfs/dbraw/zinc/02/14/89/572021489.db2.gz DJUNPCOSHPPMMJ-SECBINFHSA-N 2 1 186.299 0.692 10 0 ACAEMP C[C@H](C[NH3+])C[N@H+]1CCOCC1(C)C 42461251 572021490 /nfs/dbraw/zinc/02/14/90/572021490.db2.gz DJUNPCOSHPPMMJ-SECBINFHSA-N 2 1 186.299 0.692 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]CCc1ccncc1 143475819 573490515 /nfs/dbraw/zinc/49/05/15/573490515.db2.gz OIDIWEYROCCBRL-SECBINFHSA-N 2 1 179.267 0.561 10 0 ACAEMP CC(C)[NH2+]C[C@@H](N)C1CC[NH+](C)CC1 259474342 573490516 /nfs/dbraw/zinc/49/05/16/573490516.db2.gz RYVLUYUHFMDOID-LLVKDONJSA-N 2 1 199.342 0.654 10 0 ACAEMP CN(C)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 83419350 573490525 /nfs/dbraw/zinc/49/05/25/573490525.db2.gz NLEMACKRHUYOIV-SNVBAGLBSA-N 2 1 185.315 0.361 10 0 ACAEMP CN(C)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 83419352 573490586 /nfs/dbraw/zinc/49/05/86/573490586.db2.gz NLEMACKRHUYOIV-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP C[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 83418082 573490668 /nfs/dbraw/zinc/49/06/68/573490668.db2.gz LKYDABVOQGJXHL-ZJUUUORDSA-N 2 1 186.299 0.441 10 0 ACAEMP CCn1c[nH+]c2c1CC[C@H](C[NH3+])C2 33638121 572028350 /nfs/dbraw/zinc/02/83/50/572028350.db2.gz OEFVPMBICIHIDQ-QMMMGPOBSA-N 2 1 179.267 0.967 10 0 ACAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCC[C@@H]1CCO 308593661 573490684 /nfs/dbraw/zinc/49/06/84/573490684.db2.gz QNJKNECBICJBNS-BDAKNGLRSA-N 2 1 199.298 0.548 10 0 ACAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CCC[C@@H]1CCO 308593661 573490690 /nfs/dbraw/zinc/49/06/90/573490690.db2.gz QNJKNECBICJBNS-BDAKNGLRSA-N 2 1 199.298 0.548 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@@H]1OCC[C@@H]1C[NH3+] 715298152 573492384 /nfs/dbraw/zinc/49/23/84/573492384.db2.gz ARPSONBDCYDTQV-ZJUUUORDSA-N 2 1 198.310 0.835 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])C2CC[NH2+]CC2)C1 259472580 573493018 /nfs/dbraw/zinc/49/30/18/573493018.db2.gz RWHQZSRNCSQAIL-MNOVXSKESA-N 2 1 197.326 0.265 10 0 ACAEMP CC[N@H+]1CCC[C@@]([NH3+])(CO)CC1 83423892 573493072 /nfs/dbraw/zinc/49/30/72/573493072.db2.gz QUHVONXTXVVJKO-VIFPVBQESA-N 2 1 172.272 0.182 10 0 ACAEMP CC(C)([NH3+])C[NH2+]Cc1ccc[nH]1 258687728 573493114 /nfs/dbraw/zinc/49/31/14/573493114.db2.gz BGTRTTRRLMKYQF-UHFFFAOYSA-N 2 1 167.256 0.842 10 0 ACAEMP C[C@@H]([NH3+])C[N@H+](C)CCCCO 82595047 572055131 /nfs/dbraw/zinc/05/51/31/572055131.db2.gz OHIIONUBIXVTKJ-MRVPVSSYSA-N 2 1 160.261 0.038 10 0 ACAEMP CCCN(CC[NH3+])c1[nH+]ccn1C 82592035 572055191 /nfs/dbraw/zinc/05/51/91/572055191.db2.gz KQTPQGULNXNBEW-UHFFFAOYSA-N 2 1 182.271 0.595 10 0 ACAEMP Cn1cc[nH+]c1N(CC[NH3+])C1CC1 82592743 572055685 /nfs/dbraw/zinc/05/56/85/572055685.db2.gz QYBVLELEUAKVAV-UHFFFAOYSA-N 2 1 180.255 0.348 10 0 ACAEMP C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H]1CC[NH3+] 82594389 572055695 /nfs/dbraw/zinc/05/56/95/572055695.db2.gz YPSWVANQSIRBMB-RKDXNWHRSA-N 2 1 199.298 0.064 10 0 ACAEMP C[C@H](C(N)=O)[N@H+]1CCCC[C@@H]1CC[NH3+] 82594389 572055697 /nfs/dbraw/zinc/05/56/97/572055697.db2.gz YPSWVANQSIRBMB-RKDXNWHRSA-N 2 1 199.298 0.064 10 0 ACAEMP C[C@@H](CCO)[NH2+]C[C@H]1CCCC[NH2+]1 235087274 572055713 /nfs/dbraw/zinc/05/57/13/572055713.db2.gz TUGAUWCWGBQBME-VHSXEESVSA-N 2 1 186.299 0.489 10 0 ACAEMP CCC[C@H](C[C@H]1C[N@@H+](C)CCN1)[NH2+]C 259474937 573493532 /nfs/dbraw/zinc/49/35/32/573493532.db2.gz QIISTAODKVVUIG-MNOVXSKESA-N 2 1 199.342 0.668 10 0 ACAEMP CN(C)CC[N@H+]1CCC[C@@H]1CCC[NH3+] 82596806 572058491 /nfs/dbraw/zinc/05/84/91/572058491.db2.gz QJDUHEHFJDMFRZ-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CC[C@@H](CC[NH3+])N1CC[NH+](C)CC1 36677442 572058522 /nfs/dbraw/zinc/05/85/22/572058522.db2.gz QHWVYXSLFFXXCO-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CCC[NH3+] 82596624 572058531 /nfs/dbraw/zinc/05/85/31/572058531.db2.gz RQGJGNXDABEFKJ-BDAKNGLRSA-N 2 1 199.298 0.064 10 0 ACAEMP C[N@@H+](CC1CC([NH3+])C1)C[C@@H]1CCCO1 84984614 572089584 /nfs/dbraw/zinc/08/95/84/572089584.db2.gz CYDGMSNUCNVPAD-ILDUYXDCSA-N 2 1 198.310 0.835 10 0 ACAEMP [NH3+]CC1C[NH+](CCc2cccnc2)C1 84988133 572089619 /nfs/dbraw/zinc/08/96/19/572089619.db2.gz NYDUCYRNVAMVGC-UHFFFAOYSA-N 2 1 191.278 0.515 10 0 ACAEMP CCCCOCC[NH+]1CC(C[NH3+])C1 84987639 572089632 /nfs/dbraw/zinc/08/96/32/572089632.db2.gz OWJBQXWHSSOCGJ-UHFFFAOYSA-N 2 1 186.299 0.694 10 0 ACAEMP CC[C@@H]([NH3+])C[C@@H]1COCC[NH2+]1 259472785 573493627 /nfs/dbraw/zinc/49/36/27/573493627.db2.gz PFSCOLAWCASOBX-HTQZYQBOSA-N 2 1 158.245 0.102 10 0 ACAEMP CCC[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] 36790405 572071921 /nfs/dbraw/zinc/07/19/21/572071921.db2.gz HZQSXSCTVBDHPC-DTWKUNHWSA-N 2 1 174.288 0.426 10 0 ACAEMP OCC[N@@H+]1CCC[C@@H](C[NH2+]C2CC2)C1 82645992 572078375 /nfs/dbraw/zinc/07/83/75/572078375.db2.gz FPWOCYIEZQRNKR-JTQLQIEISA-N 2 1 198.310 0.443 10 0 ACAEMP OCC[N@H+]1CCC[C@@H](C[NH2+]C2CC2)C1 82645992 572078377 /nfs/dbraw/zinc/07/83/77/572078377.db2.gz FPWOCYIEZQRNKR-JTQLQIEISA-N 2 1 198.310 0.443 10 0 ACAEMP CCC[NH2+][C@@]1(C[NH3+])CCOC[C@@H]1C 300951540 572129694 /nfs/dbraw/zinc/12/96/94/572129694.db2.gz FNDHTVPJFWJFJK-VHSXEESVSA-N 2 1 186.299 0.740 10 0 ACAEMP C[C@@H](CC[NH3+])C[N@H+]1CCN(C)C[C@H]1C 300356151 572129705 /nfs/dbraw/zinc/12/97/05/572129705.db2.gz YPYALBQYRZVWIX-WDEREUQCSA-N 2 1 199.342 0.607 10 0 ACAEMP CC[C@@H](CC[NH3+])[N@H+]1CCN(C)C[C@H]1C 300357448 572129714 /nfs/dbraw/zinc/12/97/14/572129714.db2.gz ZEZWIPJTLNEHNN-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@@H](CC[NH3+])N1CC[N@H+](C)C[C@H]1C 300357448 572129717 /nfs/dbraw/zinc/12/97/17/572129717.db2.gz ZEZWIPJTLNEHNN-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@@H](CC[NH3+])N1CC[N@@H+](C)C[C@H]1C 300357448 572129719 /nfs/dbraw/zinc/12/97/19/572129719.db2.gz ZEZWIPJTLNEHNN-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H](C1CC1)[N@H+]1CCO[C@H](CC[NH3+])C1 308397364 573493784 /nfs/dbraw/zinc/49/37/84/573493784.db2.gz RRVOPKPLVSAUFG-MWLCHTKSSA-N 2 1 198.310 0.835 10 0 ACAEMP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCCOCC2)C1 83426319 573493848 /nfs/dbraw/zinc/49/38/48/573493848.db2.gz JNVLJRSRYVSMJY-GHMZBOCLSA-N 2 1 198.310 0.836 10 0 ACAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CCC[C@H]1CCO 308593662 573493853 /nfs/dbraw/zinc/49/38/53/573493853.db2.gz QNJKNECBICJBNS-DTWKUNHWSA-N 2 1 199.298 0.548 10 0 ACAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCC[C@H]1CCO 308593662 573493856 /nfs/dbraw/zinc/49/38/56/573493856.db2.gz QNJKNECBICJBNS-DTWKUNHWSA-N 2 1 199.298 0.548 10 0 ACAEMP CCC[NH+]1CC(N[C@@H](C)C2C[NH2+]C2)C1 686245517 573493861 /nfs/dbraw/zinc/49/38/61/573493861.db2.gz XMWMWRTYYXXNKP-VIFPVBQESA-N 2 1 197.326 0.278 10 0 ACAEMP CCCN1CC([NH2+][C@@H](C)C2C[NH2+]C2)C1 686245517 573493864 /nfs/dbraw/zinc/49/38/64/573493864.db2.gz XMWMWRTYYXXNKP-VIFPVBQESA-N 2 1 197.326 0.278 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H]([NH3+])C2CC[NH2+]CC2)C1 259472584 573493879 /nfs/dbraw/zinc/49/38/79/573493879.db2.gz RWHQZSRNCSQAIL-WDEREUQCSA-N 2 1 197.326 0.265 10 0 ACAEMP CC(C)N1[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH3+] 219817384 572111761 /nfs/dbraw/zinc/11/17/61/572111761.db2.gz DCVITPKEJYAPMH-QWRGUYRKSA-N 2 1 199.342 0.748 10 0 ACAEMP CC(C)[N@H+]1[C@@H](C)CN(C)C[C@@H]1CC[NH3+] 219817384 572111766 /nfs/dbraw/zinc/11/17/66/572111766.db2.gz DCVITPKEJYAPMH-QWRGUYRKSA-N 2 1 199.342 0.748 10 0 ACAEMP C[NH2+]C(C)(C)[C@H](N)[C@H]1CCC[N@@H+](C)C1 259108200 573495285 /nfs/dbraw/zinc/49/52/85/573495285.db2.gz BJDDXGUQIWRNOS-VHSXEESVSA-N 2 1 199.342 0.654 10 0 ACAEMP C[N@@H+]1CC[C@H]([C@@H](CO)[NH2+]C2CC2)C1 259475891 573495128 /nfs/dbraw/zinc/49/51/28/573495128.db2.gz XVFGDMCGNWXVAA-WCBMZHEXSA-N 2 1 184.283 0.051 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H](CO)[NH2+]C2CC2)C1 259475891 573495134 /nfs/dbraw/zinc/49/51/34/573495134.db2.gz XVFGDMCGNWXVAA-WCBMZHEXSA-N 2 1 184.283 0.051 10 0 ACAEMP C[C@@H]([NH3+])CCN(C)[C@@H]1CC[N@@H+](C)C1 258692464 573495204 /nfs/dbraw/zinc/49/52/04/573495204.db2.gz FYCPLFKEEVLGCK-NXEZZACHSA-N 2 1 185.315 0.360 10 0 ACAEMP C[NH2+]C(C)(C)[C@H](N)[C@@H]1CCC[N@@H+](C)C1 259108197 573495244 /nfs/dbraw/zinc/49/52/44/573495244.db2.gz BJDDXGUQIWRNOS-NXEZZACHSA-N 2 1 199.342 0.654 10 0 ACAEMP C[N@@H+](CC[C@H]([NH3+])CO)CC1CCC1 82881180 572161198 /nfs/dbraw/zinc/16/11/98/572161198.db2.gz IVDAJJJXAYFRPY-JTQLQIEISA-N 2 1 186.299 0.428 10 0 ACAEMP COC[C@@H]([NH3+])Cc1cc[nH+]c(N)c1 69942352 572161277 /nfs/dbraw/zinc/16/12/77/572161277.db2.gz IPGWKYHKQRVETD-QMMMGPOBSA-N 2 1 181.239 0.180 10 0 ACAEMP C[C@H]([NH3+])C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259477507 573495258 /nfs/dbraw/zinc/49/52/58/573495258.db2.gz SDMMOCRNZDZUID-DJLDLDEBSA-N 3 1 171.288 0.003 10 0 ACAEMP COCC[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 82942061 572181432 /nfs/dbraw/zinc/18/14/32/572181432.db2.gz DNIWXDQCIBAPJD-LLVKDONJSA-N 2 1 198.310 0.707 10 0 ACAEMP C[C@H]([NH3+])C[C@@H](N)[C@@H]1CC[N@H+](C)C1 259477507 573495265 /nfs/dbraw/zinc/49/52/65/573495265.db2.gz SDMMOCRNZDZUID-DJLDLDEBSA-N 2 1 171.288 0.003 10 0 ACAEMP C[C@H]([NH3+])C[C@@H](N)[C@@H]1CC[N@@H+](C)C1 259477507 573495269 /nfs/dbraw/zinc/49/52/69/573495269.db2.gz SDMMOCRNZDZUID-DJLDLDEBSA-N 2 1 171.288 0.003 10 0 ACAEMP CC(C)[NH2+]CC1CC[NH+](CCN)CC1 258697324 573498210 /nfs/dbraw/zinc/49/82/10/573498210.db2.gz QXTRLOOABNGPST-UHFFFAOYSA-N 2 1 199.342 0.655 10 0 ACAEMP CN(CC[NH3+])CC[C@@H]1CC[N@@H+](C)C1 258696389 573498252 /nfs/dbraw/zinc/49/82/52/573498252.db2.gz GHKDBBWKIYBHRQ-SNVBAGLBSA-N 2 1 185.315 0.219 10 0 ACAEMP C[NH+]1CC[C@@H](CC[N@H+](C)CCN)C1 258696389 573498259 /nfs/dbraw/zinc/49/82/59/573498259.db2.gz GHKDBBWKIYBHRQ-SNVBAGLBSA-N 2 1 185.315 0.219 10 0 ACAEMP C[NH+]1CC[C@@H](CC[N@@H+](C)CCN)C1 258696389 573498263 /nfs/dbraw/zinc/49/82/63/573498263.db2.gz GHKDBBWKIYBHRQ-SNVBAGLBSA-N 2 1 185.315 0.219 10 0 ACAEMP C[NH+](CCN)CC[C@@H]1CC[N@H+](C)C1 258696389 573498268 /nfs/dbraw/zinc/49/82/68/573498268.db2.gz GHKDBBWKIYBHRQ-SNVBAGLBSA-N 2 1 185.315 0.219 10 0 ACAEMP C[NH+](CCN)CC[C@@H]1CC[N@@H+](C)C1 258696389 573498273 /nfs/dbraw/zinc/49/82/73/573498273.db2.gz GHKDBBWKIYBHRQ-SNVBAGLBSA-N 2 1 185.315 0.219 10 0 ACAEMP C[NH+]1CC[C@@H](CC[N@H+](C)CC[NH3+])C1 258696389 573498277 /nfs/dbraw/zinc/49/82/77/573498277.db2.gz GHKDBBWKIYBHRQ-SNVBAGLBSA-N 3 1 185.315 0.219 10 0 ACAEMP C[NH+]1CC[C@@H](CC[N@@H+](C)CC[NH3+])C1 258696389 573498284 /nfs/dbraw/zinc/49/82/84/573498284.db2.gz GHKDBBWKIYBHRQ-SNVBAGLBSA-N 3 1 185.315 0.219 10 0 ACAEMP C[NH+](CC[NH3+])CC[C@@H]1CC[N@H+](C)C1 258696389 573498290 /nfs/dbraw/zinc/49/82/90/573498290.db2.gz GHKDBBWKIYBHRQ-SNVBAGLBSA-N 3 1 185.315 0.219 10 0 ACAEMP C[NH+](CC[NH3+])CC[C@@H]1CC[N@@H+](C)C1 258696389 573498296 /nfs/dbraw/zinc/49/82/96/573498296.db2.gz GHKDBBWKIYBHRQ-SNVBAGLBSA-N 3 1 185.315 0.219 10 0 ACAEMP C[NH2+][C@H](C)c1nc([C@H]2CC[NH2+]C2)no1 258044687 573499197 /nfs/dbraw/zinc/49/91/97/573499197.db2.gz OPUKLXBJLRKFIO-RQJHMYQMSA-N 2 1 196.254 0.427 10 0 ACAEMP COCC[NH2+][C@]1(C[NH3+])CCC[C@H]1C 83392764 572208227 /nfs/dbraw/zinc/20/82/27/572208227.db2.gz CGWKCYHHBIVFCZ-ZJUUUORDSA-N 2 1 186.299 0.740 10 0 ACAEMP C[C@H](C[NH3+])CN[C@H]1CC[N@@H+](C)[C@H](C)C1 308609115 573499322 /nfs/dbraw/zinc/49/93/22/573499322.db2.gz KNYOTFPPZSRMDC-MXWKQRLJSA-N 2 1 199.342 0.654 10 0 ACAEMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 308609115 573499331 /nfs/dbraw/zinc/49/93/31/573499331.db2.gz KNYOTFPPZSRMDC-MXWKQRLJSA-N 3 1 199.342 0.654 10 0 ACAEMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 308609115 573499333 /nfs/dbraw/zinc/49/93/33/573499333.db2.gz KNYOTFPPZSRMDC-MXWKQRLJSA-N 3 1 199.342 0.654 10 0 ACAEMP C[C@H]([NH3+])[C@H]1CCc2c[nH+]cn2C1 107309688 573499340 /nfs/dbraw/zinc/49/93/40/573499340.db2.gz KFGQWDSTQPCFAX-YUMQZZPRSA-N 2 1 165.240 0.793 10 0 ACAEMP CN(CC[NH3+])CC[C@@H]1CCC[N@@H+](C)C1 258702287 573499350 /nfs/dbraw/zinc/49/93/50/573499350.db2.gz GXEALXFKHLBSLQ-NSHDSACASA-N 2 1 199.342 0.609 10 0 ACAEMP C[NH+]1CCC[C@@H](CC[N@H+](C)CCN)C1 258702287 573499358 /nfs/dbraw/zinc/49/93/58/573499358.db2.gz GXEALXFKHLBSLQ-NSHDSACASA-N 2 1 199.342 0.609 10 0 ACAEMP C[NH+]1CCC[C@@H](CC[N@@H+](C)CCN)C1 258702287 573499366 /nfs/dbraw/zinc/49/93/66/573499366.db2.gz GXEALXFKHLBSLQ-NSHDSACASA-N 2 1 199.342 0.609 10 0 ACAEMP C[NH+](CCN)CC[C@@H]1CCC[N@H+](C)C1 258702287 573499374 /nfs/dbraw/zinc/49/93/74/573499374.db2.gz GXEALXFKHLBSLQ-NSHDSACASA-N 2 1 199.342 0.609 10 0 ACAEMP C[NH+](CCN)CC[C@@H]1CCC[N@@H+](C)C1 258702287 573499378 /nfs/dbraw/zinc/49/93/78/573499378.db2.gz GXEALXFKHLBSLQ-NSHDSACASA-N 2 1 199.342 0.609 10 0 ACAEMP C[NH+]1CCC[C@@H](CC[N@H+](C)CC[NH3+])C1 258702287 573499381 /nfs/dbraw/zinc/49/93/81/573499381.db2.gz GXEALXFKHLBSLQ-NSHDSACASA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH+]1CCC[C@@H](CC[N@@H+](C)CC[NH3+])C1 258702287 573499388 /nfs/dbraw/zinc/49/93/88/573499388.db2.gz GXEALXFKHLBSLQ-NSHDSACASA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH+](CC[NH3+])CC[C@@H]1CCC[N@H+](C)C1 258702287 573499397 /nfs/dbraw/zinc/49/93/97/573499397.db2.gz GXEALXFKHLBSLQ-NSHDSACASA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH+](CC[NH3+])CC[C@@H]1CCC[N@@H+](C)C1 258702287 573499403 /nfs/dbraw/zinc/49/94/03/573499403.db2.gz GXEALXFKHLBSLQ-NSHDSACASA-N 3 1 199.342 0.609 10 0 ACAEMP CC[C@H](C[NH3+])C[N@@H+]1CCO[C@H](C)C1 83606380 572343387 /nfs/dbraw/zinc/34/33/87/572343387.db2.gz RGQZZMRQMIUHHZ-NXEZZACHSA-N 2 1 186.299 0.692 10 0 ACAEMP CC[C@H](C[NH3+])C[N@H+]1CCO[C@H](C)C1 83606380 572343391 /nfs/dbraw/zinc/34/33/91/572343391.db2.gz RGQZZMRQMIUHHZ-NXEZZACHSA-N 2 1 186.299 0.692 10 0 ACAEMP CN[C@H]([C@H](C)[NH3+])[C@H]1CCC[N@@H+](C)C1 259480792 573505972 /nfs/dbraw/zinc/50/59/72/573505972.db2.gz PRXUYYMZOPNACA-LPEHRKFASA-N 2 1 185.315 0.263 10 0 ACAEMP CC[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)COC 83607951 572346763 /nfs/dbraw/zinc/34/67/63/572346763.db2.gz IFHMROKXOPFYDL-VHSXEESVSA-N 2 1 188.315 0.938 10 0 ACAEMP C[N@H+]1CCCC(=O)[C@H](CC[NH3+])C1 76598114 572376912 /nfs/dbraw/zinc/37/69/12/572376912.db2.gz XOIBOWIEQRUDCK-MRVPVSSYSA-N 2 1 170.256 0.246 10 0 ACAEMP C[NH+](C)C[C@H]([NH3+])[C@@H]1CCSC1 258049558 573506233 /nfs/dbraw/zinc/50/62/33/573506233.db2.gz HOAKLDSROMKVFY-SFYZADRCSA-N 2 1 174.313 0.628 10 0 ACAEMP C[N@H+]1CCCC[C@H]1CC(=O)CN 76598219 572379680 /nfs/dbraw/zinc/37/96/80/572379680.db2.gz GFKYCYASVVKRPP-QMMMGPOBSA-N 2 1 170.256 0.389 10 0 ACAEMP CCC(CC)[N@@H+]1CCO[C@@H](C[NH3+])C1 87157008 572379681 /nfs/dbraw/zinc/37/96/81/572379681.db2.gz WYFRMPDAUOBBHO-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@@H+]1CCCC[C@H]1CC(=O)C[NH3+] 76598219 572379684 /nfs/dbraw/zinc/37/96/84/572379684.db2.gz GFKYCYASVVKRPP-QMMMGPOBSA-N 2 1 170.256 0.389 10 0 ACAEMP CCC(CC)[N@H+]1CCO[C@@H](C[NH3+])C1 87157008 572379685 /nfs/dbraw/zinc/37/96/85/572379685.db2.gz WYFRMPDAUOBBHO-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@H+]1CCCC[C@H]1CC(=O)C[NH3+] 76598219 572379689 /nfs/dbraw/zinc/37/96/89/572379689.db2.gz GFKYCYASVVKRPP-QMMMGPOBSA-N 2 1 170.256 0.389 10 0 ACAEMP c1cc(C[NH2+]CC2C[NH2+]C2)ccn1 258713174 573506554 /nfs/dbraw/zinc/50/65/54/573506554.db2.gz LDPUIHJTNLUWAG-UHFFFAOYSA-N 2 1 177.251 0.391 10 0 ACAEMP [NH3+][C@@H]1CC[N@H+]2CCCC[C@@H]2[C@H]1F 257824023 573511954 /nfs/dbraw/zinc/51/19/54/573511954.db2.gz GPTMIJLAZMVODY-HLTSFMKQSA-N 2 1 172.247 0.910 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H](N)[C@@H]2CCCC[NH2+]2)C1 259483299 573512175 /nfs/dbraw/zinc/51/21/75/573512175.db2.gz SLWZKBJNJDWZCU-GARJFASQSA-N 2 1 197.326 0.408 10 0 ACAEMP [NH3+]C1(CC[N@H+]2CCC[C@H](CO)C2)CC1 74237009 572437321 /nfs/dbraw/zinc/43/73/21/572437321.db2.gz ZVZKZZJSVUHYCX-JTQLQIEISA-N 2 1 198.310 0.572 10 0 ACAEMP [NH3+]C1(CC[N@H+]2CCC[C@@H](CO)C2)CC1 74237011 572437369 /nfs/dbraw/zinc/43/73/69/572437369.db2.gz ZVZKZZJSVUHYCX-SNVBAGLBSA-N 2 1 198.310 0.572 10 0 ACAEMP C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C1CCOCC1 74236935 572437384 /nfs/dbraw/zinc/43/73/84/572437384.db2.gz VMCOSURYAODLIV-WDEREUQCSA-N 2 1 198.310 0.835 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])[C@H](Cc2cocn2)C1 76636585 572441241 /nfs/dbraw/zinc/44/12/41/572441241.db2.gz GIDVJNHERXCDSD-SCZZXKLOSA-N 2 1 195.266 0.496 10 0 ACAEMP [NH3+][C@@H]1CC[N@@H+]2CCCC[C@H]2[C@H]1F 257824026 573512223 /nfs/dbraw/zinc/51/22/23/573512223.db2.gz GPTMIJLAZMVODY-VGMNWLOBSA-N 2 1 172.247 0.910 10 0 ACAEMP [NH3+][C@@H]1CC[N@H+]2CCCC[C@H]2[C@H]1F 257824026 573512227 /nfs/dbraw/zinc/51/22/27/573512227.db2.gz GPTMIJLAZMVODY-VGMNWLOBSA-N 2 1 172.247 0.910 10 0 ACAEMP CC(C)[C@@H](C[NH3+])[NH2+][C@@H]1CCCN(C)C1 258725113 573512310 /nfs/dbraw/zinc/51/23/10/573512310.db2.gz DSWRWGIEODFWOU-GHMZBOCLSA-N 2 1 199.342 0.654 10 0 ACAEMP [NH3+][C@@H]1CC[N@@H+]2CCCC[C@@H]2[C@H]1F 257824023 573511950 /nfs/dbraw/zinc/51/19/50/573511950.db2.gz GPTMIJLAZMVODY-HLTSFMKQSA-N 2 1 172.247 0.910 10 0 ACAEMP CCC[N@H+]1CCCN(CC[NH2+]C)CC1 308610556 573512465 /nfs/dbraw/zinc/51/24/65/573512465.db2.gz QNOBBEMBMUURAD-UHFFFAOYSA-N 2 1 199.342 0.624 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H](N)[C@@H]2CCCC[NH2+]2)C1 259483294 573512475 /nfs/dbraw/zinc/51/24/75/573512475.db2.gz SLWZKBJNJDWZCU-DCAQKATOSA-N 2 1 197.326 0.408 10 0 ACAEMP [NH3+]C[C@@]1(C2CC2)CCCC[NH2+]1 258728225 573512491 /nfs/dbraw/zinc/51/24/91/573512491.db2.gz ONQVSBFPUPBRBJ-SECBINFHSA-N 2 1 154.257 0.867 10 0 ACAEMP C[NH+]1C[C@@H](CC[NH3+])[C@H]2CC[N@@H+](C)C[C@@H]21 250598236 572491174 /nfs/dbraw/zinc/49/11/74/572491174.db2.gz JHDXDDMRVVEJQG-MXWKQRLJSA-N 3 1 197.326 0.217 10 0 ACAEMP C[N@H+]1CCC[C@@H](CC[C@@H]([NH3+])CO)C1 250627809 572497341 /nfs/dbraw/zinc/49/73/41/572497341.db2.gz QNPBQKDTCUAEDS-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@H](O)[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 259480456 573512581 /nfs/dbraw/zinc/51/25/81/573512581.db2.gz YDBMWZBESFSWAZ-DJLDLDEBSA-N 2 1 172.272 0.036 10 0 ACAEMP C[N@H+]1CCC[C@@H](C[NH2+]C2(CO)CC2)C1 126335050 573512585 /nfs/dbraw/zinc/51/25/85/573512585.db2.gz GAXCVNIVJMPTQS-JTQLQIEISA-N 2 1 198.310 0.443 10 0 ACAEMP [NH3+]C[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](O)C2)C1 250634117 572505488 /nfs/dbraw/zinc/50/54/88/572505488.db2.gz FBHIUKAAFQVHMS-OUAUKWLOSA-N 2 1 198.310 0.571 10 0 ACAEMP CCc1cc(OC[C@H]([NH3+])CO)cc[nH+]1 307791306 572532711 /nfs/dbraw/zinc/53/27/11/572532711.db2.gz PUBDFXAIHZNWHT-MRVPVSSYSA-N 2 1 196.250 0.342 10 0 ACAEMP CC(C)N1CC[N@@H+](C)C[C@H]1CC[NH3+] 250745681 572532739 /nfs/dbraw/zinc/53/27/39/572532739.db2.gz MINWPGGIUQQWBS-SNVBAGLBSA-N 2 1 185.315 0.360 10 0 ACAEMP CC(C)[N@@H+]1CCN(C)C[C@H]1CC[NH3+] 250745681 572532742 /nfs/dbraw/zinc/53/27/42/572532742.db2.gz MINWPGGIUQQWBS-SNVBAGLBSA-N 2 1 185.315 0.360 10 0 ACAEMP CC(C)[N@H+]1CCN(C)C[C@H]1CC[NH3+] 250745681 572532744 /nfs/dbraw/zinc/53/27/44/572532744.db2.gz MINWPGGIUQQWBS-SNVBAGLBSA-N 2 1 185.315 0.360 10 0 ACAEMP C[NH2+][C@H]1CCC[N@H+]2CCC[C@@H]12 250770507 572532782 /nfs/dbraw/zinc/53/27/82/572532782.db2.gz USDUKZHKJLLHBL-IUCAKERBSA-N 2 1 154.257 0.833 10 0 ACAEMP C[NH+](C)CCC[NH2+]CC1(C[NH3+])CCC1 258729999 573513218 /nfs/dbraw/zinc/51/32/18/573513218.db2.gz VCXQTMRSFREZQV-UHFFFAOYSA-N 3 1 199.342 0.657 10 0 ACAEMP CN1CC[C@@H](C[NH3+])[C@H]2CC[N@@H+](C)C[C@@H]21 250652456 572524415 /nfs/dbraw/zinc/52/44/15/572524415.db2.gz XAMIHPGLTGFJQW-AXFHLTTASA-N 3 1 197.326 0.217 10 0 ACAEMP CN1CC[C@@H]2[C@H](C[NH3+])CC[N@H+](C)[C@H]2C1 250652456 572524417 /nfs/dbraw/zinc/52/44/17/572524417.db2.gz XAMIHPGLTGFJQW-AXFHLTTASA-N 3 1 197.326 0.217 10 0 ACAEMP CN1CC[C@@H]2[C@H](C[NH3+])CC[N@@H+](C)[C@H]2C1 250652456 572524420 /nfs/dbraw/zinc/52/44/20/572524420.db2.gz XAMIHPGLTGFJQW-AXFHLTTASA-N 2 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@H](C1)[C@H](CC[NH3+])C[N@@H+]2C 250665251 572524523 /nfs/dbraw/zinc/52/45/23/572524523.db2.gz ZPFWYZBPUDEQRL-GMTAPVOTSA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1C[C@@H](CC[NH3+])[C@H]2C[N@H+](C)CC[C@H]21 250665251 572524524 /nfs/dbraw/zinc/52/45/24/572524524.db2.gz ZPFWYZBPUDEQRL-GMTAPVOTSA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1C[C@@H](CC[NH3+])[C@H]2C[N@@H+](C)CC[C@H]21 250665251 572524525 /nfs/dbraw/zinc/52/45/25/572524525.db2.gz ZPFWYZBPUDEQRL-GMTAPVOTSA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH2+][C@@H](CO)CC[N@H+]1CC[C@@H](C)C1 223051575 572535773 /nfs/dbraw/zinc/53/57/73/572535773.db2.gz JGVCSKDAXGRHDL-NXEZZACHSA-N 2 1 186.299 0.299 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]C[C@H]1CC1(C)C 235135983 572536097 /nfs/dbraw/zinc/53/60/97/572536097.db2.gz JXQWNMNBZARRIL-JGVFFNPUSA-N 2 1 156.273 0.969 10 0 ACAEMP OC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]1 250985993 572537246 /nfs/dbraw/zinc/53/72/46/572537246.db2.gz BXPQPDWLWIJLFY-MNOVXSKESA-N 2 1 198.310 0.585 10 0 ACAEMP [NH3+]C[C@]1(C2CC2)CCCC[NH2+]1 258728228 573514047 /nfs/dbraw/zinc/51/40/47/573514047.db2.gz ONQVSBFPUPBRBJ-VIFPVBQESA-N 2 1 154.257 0.867 10 0 ACAEMP Cc1[nH]c(C[C@@H]2COCC[NH2+]2)[nH+]c1C 258726433 573514080 /nfs/dbraw/zinc/51/40/80/573514080.db2.gz OXODVGSSDVDCLU-SECBINFHSA-N 2 1 195.266 0.557 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257827974 573530534 /nfs/dbraw/zinc/53/05/34/573530534.db2.gz IBIPCZACZWYLDR-RKDXNWHRSA-N 2 1 172.247 0.912 10 0 ACAEMP CC[NH+](CC)Cc1nccc(C[NH3+])n1 257828008 573530598 /nfs/dbraw/zinc/53/05/98/573530598.db2.gz ICEREBOCPZYSGR-UHFFFAOYSA-N 2 1 194.282 0.777 10 0 ACAEMP CC(C)(C[NH3+])[NH2+]Cc1ccc[nH]1 258753671 573530611 /nfs/dbraw/zinc/53/06/11/573530611.db2.gz GMRLYQXSVXDBQJ-UHFFFAOYSA-N 2 1 167.256 0.842 10 0 ACAEMP [NH3+][C@@H](C1CCCCC1)[C@H]1C[NH2+]CCO1 259490591 573530670 /nfs/dbraw/zinc/53/06/70/573530670.db2.gz QGOADJBSFMJXOY-MNOVXSKESA-N 2 1 198.310 0.882 10 0 ACAEMP CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1C1CC(OC)C1 714526401 572676634 /nfs/dbraw/zinc/67/66/34/572676634.db2.gz NLGPWSWZEAXQQP-LXKPXOPUSA-N 2 1 198.310 0.833 10 0 ACAEMP [NH3+]C[C@@]1(F)CCC[N@H+]2CCC[C@H]21 257827973 573530712 /nfs/dbraw/zinc/53/07/12/573530712.db2.gz IBIPCZACZWYLDR-IUCAKERBSA-N 2 1 172.247 0.912 10 0 ACAEMP C[C@H](O)[C@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299893844 572676805 /nfs/dbraw/zinc/67/68/05/572676805.db2.gz PMTHXVNOCMKTGJ-MMWGEVLESA-N 2 1 198.310 0.440 10 0 ACAEMP CC[C@@H](CN)[N@@H+](CCO)C(C)(C)C 689965399 573530731 /nfs/dbraw/zinc/53/07/31/573530731.db2.gz AKVMPOSWNZVYKU-VIFPVBQESA-N 2 1 188.315 0.817 10 0 ACAEMP CCN1[C@H](C)CC[N@@H+](C)C[C@H]1C[NH2+]C 250368358 572678123 /nfs/dbraw/zinc/67/81/23/572678123.db2.gz VFCIFSRUBNAMLT-GHMZBOCLSA-N 2 1 199.342 0.620 10 0 ACAEMP OC[C@@]1([C@H]2CCCCN2)CCCC[NH2+]1 258051974 573531511 /nfs/dbraw/zinc/53/15/11/573531511.db2.gz IJGVFKUTIVEYGA-GHMZBOCLSA-N 2 1 198.310 0.633 10 0 ACAEMP C[C@@H]([NH3+])[C@H](CCO)c1c[nH+]cn1C 85182863 572700492 /nfs/dbraw/zinc/70/04/92/572700492.db2.gz MDINGEGVXJWDGL-SFYZADRCSA-N 2 1 183.255 0.233 10 0 ACAEMP CCO[C@@]1(CC[NH3+])CCC[N@@H+](C)C1 257828625 573535616 /nfs/dbraw/zinc/53/56/16/573535616.db2.gz IMOGMZQPTXZPEZ-SNVBAGLBSA-N 2 1 186.299 0.836 10 0 ACAEMP C[C@H](C[NH2+]CCF)C[NH+](C)C 307884908 572721661 /nfs/dbraw/zinc/72/16/61/572721661.db2.gz UESIFLFCMKXVRA-MRVPVSSYSA-N 2 1 162.252 0.743 10 0 ACAEMP [NH3+][C@@H]1CCC[N@@H+](CCSO)CC1 527081079 572721698 /nfs/dbraw/zinc/72/16/98/572721698.db2.gz KWEDMOCFWOLVCA-MRVPVSSYSA-N 2 1 189.304 0.878 10 0 ACAEMP C[N@H+]1CCC[C@H](CC[NH2+]CCO)C1 259104616 573536215 /nfs/dbraw/zinc/53/62/15/573536215.db2.gz UVKOIPYQFFTJGA-SNVBAGLBSA-N 2 1 186.299 0.300 10 0 ACAEMP [NH3+][C@H]1COC[C@@H]1C[NH2+]Cc1ccco1 85375440 572736322 /nfs/dbraw/zinc/73/63/22/572736322.db2.gz HYCZGIHIRHNHBD-WPRPVWTQSA-N 2 1 196.250 0.343 10 0 ACAEMP [NH3+]CCc1[nH+]cc2cc(F)ccn12 107338365 573536606 /nfs/dbraw/zinc/53/66/06/573536606.db2.gz FIGZEHHYVJCAAU-UHFFFAOYSA-N 2 1 179.198 0.975 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H](N)C(C)(C)C[NH3+])C1 259105623 573541577 /nfs/dbraw/zinc/54/15/77/573541577.db2.gz BEWGCFYNBOMBLC-IUCAKERBSA-N 3 1 185.315 0.250 10 0 ACAEMP C[N@@H+]1CC[C@H]([C@H]([NH3+])C(C)(C)C[NH3+])C1 259105623 573541584 /nfs/dbraw/zinc/54/15/84/573541584.db2.gz BEWGCFYNBOMBLC-IUCAKERBSA-N 3 1 185.315 0.250 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H]([NH3+])C(C)(C)C[NH3+])C1 259105623 573541591 /nfs/dbraw/zinc/54/15/91/573541591.db2.gz BEWGCFYNBOMBLC-IUCAKERBSA-N 3 1 185.315 0.250 10 0 ACAEMP C[C@@H]1C[NH2+][C@H]([C@H]2CCC[NH2+]C2)O1 258766520 573541682 /nfs/dbraw/zinc/54/16/82/573541682.db2.gz WVOJESPAXZYXHW-VGMNWLOBSA-N 2 1 170.256 0.320 10 0 ACAEMP CSCC[N@@H+](C)C/C=C\C[NH3+] 307909361 572754332 /nfs/dbraw/zinc/75/43/32/572754332.db2.gz YCNGTQIIQUKEQX-ARJAWSKDSA-N 2 1 174.313 0.796 10 0 ACAEMP C[N@@H+]1CC[C@@H]([C@H]2[NH2+]CC(C)(C)CO2)C1 258766645 573545958 /nfs/dbraw/zinc/54/59/58/573545958.db2.gz WVSSIAWAUXSGHF-ZJUUUORDSA-N 2 1 198.310 0.910 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@H]2[NH2+]CC(C)(C)CO2)C1 258766645 573545967 /nfs/dbraw/zinc/54/59/67/573545967.db2.gz WVSSIAWAUXSGHF-ZJUUUORDSA-N 2 1 198.310 0.910 10 0 ACAEMP CN[C@@H](C[NH2+]C1CC1)[C@@H]1CC[N@@H+](C)C1 259499085 573545987 /nfs/dbraw/zinc/54/59/87/573545987.db2.gz RWCJTFAKLSLAQM-KOLCDFICSA-N 2 1 197.326 0.278 10 0 ACAEMP C[C@@H]1CC[C@@]1(C[NH3+])[NH2+]C[C@@H]1CCCO1 308626249 573546084 /nfs/dbraw/zinc/54/60/84/573546084.db2.gz WMPATMWZZFXRMQ-VWYCJHECSA-N 2 1 198.310 0.882 10 0 ACAEMP C[C@@H]1CC[C@]1(C[NH3+])[NH2+]C[C@@H]1CCCO1 308626248 573546130 /nfs/dbraw/zinc/54/61/30/573546130.db2.gz WMPATMWZZFXRMQ-OUAUKWLOSA-N 2 1 198.310 0.882 10 0 ACAEMP [NH3+]CCCC[NH2+]C[C@H]1CCCC[NH2+]1 236209536 572760286 /nfs/dbraw/zinc/76/02/86/572760286.db2.gz HDMAFVUUEBBJIE-SNVBAGLBSA-N 3 1 185.315 0.457 10 0 ACAEMP CC[C@@H](C[NH3+])C[N@@H+]1C[C@@H]2CC[C@H](C1)O2 85542272 572760332 /nfs/dbraw/zinc/76/03/32/572760332.db2.gz VRKMMPJQDYKLHC-GARJFASQSA-N 2 1 198.310 0.835 10 0 ACAEMP CC[C@@H](C[NH3+])C[N@H+]1C[C@@H]2CC[C@H](C1)O2 85542272 572760335 /nfs/dbraw/zinc/76/03/35/572760335.db2.gz VRKMMPJQDYKLHC-GARJFASQSA-N 2 1 198.310 0.835 10 0 ACAEMP [NH3+]CCCC[NH2+]C[C@@H]1CCCC[NH2+]1 236209287 572760374 /nfs/dbraw/zinc/76/03/74/572760374.db2.gz HDMAFVUUEBBJIE-JTQLQIEISA-N 3 1 185.315 0.457 10 0 ACAEMP C[C@@H](CCC[NH3+])[N@H+]1C[C@@H]2CC[C@H](C1)O2 85541656 572760392 /nfs/dbraw/zinc/76/03/92/572760392.db2.gz SQSQPVFKVRZEMX-GARJFASQSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@H+]1CC[C@]2(CC[C@](C)(C[NH3+])O2)C1 686236621 572760412 /nfs/dbraw/zinc/76/04/12/572760412.db2.gz ZEIHFQYHRAVKBW-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP CCC[C@H]([NH3+])C[C@@H]1C[N@@H+](C)CCN1 259119175 573549203 /nfs/dbraw/zinc/54/92/03/573549203.db2.gz AHZBMZDZKBSETL-VHSXEESVSA-N 2 1 185.315 0.408 10 0 ACAEMP NC(=[NH2+])[C@@H]1C[N@H+](CC2CCC2)CCO1 86656831 573549340 /nfs/dbraw/zinc/54/93/40/573549340.db2.gz MGDFPLZDEWVJHH-VIFPVBQESA-N 2 1 197.282 0.423 10 0 ACAEMP NC(=[NH2+])[C@@H]1C[N@@H+](CC2CCC2)CCO1 86656831 573549345 /nfs/dbraw/zinc/54/93/45/573549345.db2.gz MGDFPLZDEWVJHH-VIFPVBQESA-N 2 1 197.282 0.423 10 0 ACAEMP NC(=[NH2+])[C@@H]1C[N@H+](CC2CC2)CCO1 86656770 573549357 /nfs/dbraw/zinc/54/93/57/573549357.db2.gz QIWGNMWNAUHFCE-QMMMGPOBSA-N 2 1 183.255 0.033 10 0 ACAEMP NC(=[NH2+])[C@@H]1C[N@@H+](CC2CC2)CCO1 86656770 573549364 /nfs/dbraw/zinc/54/93/64/573549364.db2.gz QIWGNMWNAUHFCE-QMMMGPOBSA-N 2 1 183.255 0.033 10 0 ACAEMP NC(=[NH2+])CCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 85540531 572761344 /nfs/dbraw/zinc/76/13/44/572761344.db2.gz VJOLGSKZGQSEMG-DTORHVGOSA-N 2 1 197.282 0.566 10 0 ACAEMP C[NH2+]C[C@H]1C[N@H+](C2CCCC2)CCN1 259119388 573549474 /nfs/dbraw/zinc/54/94/74/573549474.db2.gz CAJWAWFPUCENGE-JTQLQIEISA-N 2 1 197.326 0.422 10 0 ACAEMP C[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)CCO 85678834 572772149 /nfs/dbraw/zinc/77/21/49/572772149.db2.gz AJBJISXDGBGKAE-VIFPVBQESA-N 2 1 188.315 0.545 10 0 ACAEMP C[C@@H](C[NH3+])[N@@H+]1CC[C@H]1C 86678889 573557171 /nfs/dbraw/zinc/55/71/71/573557171.db2.gz CPTUDKSRYHAFFI-RQJHMYQMSA-N 2 1 128.219 0.428 10 0 ACAEMP C[C@@H](C[NH3+])[N@H+]1CC[C@H]1C 86678889 573557176 /nfs/dbraw/zinc/55/71/76/573557176.db2.gz CPTUDKSRYHAFFI-RQJHMYQMSA-N 2 1 128.219 0.428 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@H]([NH3+])CC(C)(C)[NH3+])C1 259505894 573557185 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AVUGUIQRCCHOLB-JTQLQIEISA-N 2 1 188.315 0.689 10 0 ACAEMP CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1CO 307927390 572777010 /nfs/dbraw/zinc/77/70/10/572777010.db2.gz QKAGJIROUVYQFW-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP C[NH2+]C[C@@H](O)CC[N@H+]1CC[C@@H](C)C1 308118418 572777068 /nfs/dbraw/zinc/77/70/68/572777068.db2.gz BMFHREDZLHUHSJ-ZJUUUORDSA-N 2 1 186.299 0.299 10 0 ACAEMP OC1CC(C[NH2+]C[C@H]2CCCC[NH2+]2)C1 236477512 572777077 /nfs/dbraw/zinc/77/70/77/572777077.db2.gz ZOUZTBMSKBGEBH-HSOILSAZSA-N 2 1 198.310 0.489 10 0 ACAEMP CCC[N@@H+](C)CC[C@@H](O)C[NH2+]CC 308117977 572777812 /nfs/dbraw/zinc/77/78/12/572777812.db2.gz AVUGUIQRCCHOLB-SNVBAGLBSA-N 2 1 188.315 0.689 10 0 ACAEMP CCCn1cc[nH+]c1C[C@@H](O)CC[NH3+] 130365639 573559518 /nfs/dbraw/zinc/55/95/18/573559518.db2.gz GPBLYKZGMJBUQI-VIFPVBQESA-N 2 1 197.282 0.545 10 0 ACAEMP C[N@H+]1CC[C@@H](/C=C\C[NH3+])C1 258060973 573559533 /nfs/dbraw/zinc/55/95/33/573559533.db2.gz DRRWOXBVZAHTEI-YAJNLLPGSA-N 2 1 140.230 0.453 10 0 ACAEMP 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174.288 0.284 10 0 ACAEMP C[N@@H+](CC[NH3+])[C@H](CO)C(C)(C)C 307966924 572872519 /nfs/dbraw/zinc/87/25/19/572872519.db2.gz CRLJPBZNDUTRSM-MRVPVSSYSA-N 2 1 174.288 0.284 10 0 ACAEMP CCC[N@@H+]1CCC=C[C@H]1C[NH3+] 75414274 573563643 /nfs/dbraw/zinc/56/36/43/573563643.db2.gz RNTGHBCPHABIII-VIFPVBQESA-N 2 1 154.257 0.986 10 0 ACAEMP CCC[N@H+]1CCC=C[C@H]1C[NH3+] 75414274 573563647 /nfs/dbraw/zinc/56/36/47/573563647.db2.gz RNTGHBCPHABIII-VIFPVBQESA-N 2 1 154.257 0.986 10 0 ACAEMP C[C@@H]1CC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 86678282 573563669 /nfs/dbraw/zinc/56/36/69/573563669.db2.gz LFLYBGRCHHMIKA-HRDYMLBCSA-N 2 1 154.257 0.960 10 0 ACAEMP C[C@@H]1CC[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] 86678282 573563674 /nfs/dbraw/zinc/56/36/74/573563674.db2.gz LFLYBGRCHHMIKA-HRDYMLBCSA-N 2 1 154.257 0.960 10 0 ACAEMP CC[NH2+]CCC[N@@H+](C)CCOCC 87977038 572845108 /nfs/dbraw/zinc/84/51/08/572845108.db2.gz YBKZVDKSWCMJKE-UHFFFAOYSA-N 2 1 188.315 0.954 10 0 ACAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1CC[NH3+] 107399585 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/nfs/dbraw/zinc/87/15/06/572871506.db2.gz HINMAWKLXNTVMQ-RKDXNWHRSA-N 2 1 195.266 0.496 10 0 ACAEMP CCC[NH2+][C@@H](C[NH3+])C(C)C 50270566 572872482 /nfs/dbraw/zinc/87/24/82/572872482.db2.gz PXHFETNNPQXXKG-QMMMGPOBSA-N 2 1 144.262 0.969 10 0 ACAEMP CC[NH2+][C@H](C[NH3+])[C@H](C)CC 50270306 572872498 /nfs/dbraw/zinc/87/24/98/572872498.db2.gz QFMYFJUUNSDGTM-HTQZYQBOSA-N 2 1 144.262 0.969 10 0 ACAEMP C[NH2+]CCC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 258778165 573568162 /nfs/dbraw/zinc/56/81/62/573568162.db2.gz OWPSMFRTIKLWTO-NSHDSACASA-N 3 1 199.342 0.527 10 0 ACAEMP C[N@H+]1CC[C@@H](CC[NH2+]CCCC[NH3+])C1 258778984 573568195 /nfs/dbraw/zinc/56/81/95/573568195.db2.gz BFDFCMAHKRRXRS-LLVKDONJSA-N 3 1 199.342 0.657 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCCN1[C@@H]1CC[NH2+]C1 235402019 572915442 /nfs/dbraw/zinc/91/54/42/572915442.db2.gz SEXLHQYKCLXEST-GHMZBOCLSA-N 2 1 197.326 0.374 10 0 ACAEMP C[N@@H+](CCC(N)=[NH2+])CC(C)(C)O 86273905 572903660 /nfs/dbraw/zinc/90/36/60/572903660.db2.gz FFABNCQPTVTSQG-UHFFFAOYSA-N 2 1 173.260 0.015 10 0 ACAEMP C[N@@H+](CCCCC[NH3+])CC(C)(C)O 86273566 572903675 /nfs/dbraw/zinc/90/36/75/572903675.db2.gz URTISAOJNAQPAL-UHFFFAOYSA-N 2 1 188.315 0.818 10 0 ACAEMP CCC[N@@H+](CCO)[C@H]1CC[C@@H]([NH3+])C1 223139698 572903677 /nfs/dbraw/zinc/90/36/77/572903677.db2.gz YNMSEPOBXALWPP-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@H](C[NH3+])CC(=O)NCc1cnc[nH]1 87988231 572903685 /nfs/dbraw/zinc/90/36/85/572903685.db2.gz WYFDIONRWZBETD-SSDOTTSWSA-N 2 1 196.254 0.011 10 0 ACAEMP C[C@H](C[N@@H+](C)CC(C)(C)O)C(N)=[NH2+] 86273899 572903737 /nfs/dbraw/zinc/90/37/37/572903737.db2.gz SZYFSZCQUGPQKL-SSDOTTSWSA-N 2 1 187.287 0.261 10 0 ACAEMP C[C@@H](C[NH3+])CC[N@H+]1CCO[C@H](C)C1 87989177 572903793 /nfs/dbraw/zinc/90/37/93/572903793.db2.gz NBOLTHMOPJRYPG-NXEZZACHSA-N 2 1 186.299 0.692 10 0 ACAEMP C[C@H](O)CC[N@@H+](C)CCC(C)(C)[NH3+] 308178220 572903904 /nfs/dbraw/zinc/90/39/04/572903904.db2.gz BIWUYOTWDHIVFO-VIFPVBQESA-N 2 1 188.315 0.817 10 0 ACAEMP 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CC(C)C[N@H+]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 141106531 572925556 /nfs/dbraw/zinc/92/55/56/572925556.db2.gz OBCNVXMDPWNAHI-RTCCRHLQSA-N 2 1 198.310 0.833 10 0 ACAEMP CC(C)C[N@@H+]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 141106531 572925559 /nfs/dbraw/zinc/92/55/59/572925559.db2.gz OBCNVXMDPWNAHI-RTCCRHLQSA-N 2 1 198.310 0.833 10 0 ACAEMP [NH3+][C@H]1CC[C@@H]([N@H+]2CCC[C@H]2CO)C1 86431736 572937819 /nfs/dbraw/zinc/93/78/19/572937819.db2.gz HKCNQMXUZSTDOS-AEJSXWLSSA-N 2 1 184.283 0.323 10 0 ACAEMP CC[N@@H+](CCO)[C@@H]1CC[C@H]([NH3+])C1 86431620 572937856 /nfs/dbraw/zinc/93/78/56/572937856.db2.gz NIRRIVGGSQANCN-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP [NH3+][C@@H]1CCC[C@H]([N@@H+](CCO)C2CC2)C1 86432277 572937879 /nfs/dbraw/zinc/93/78/79/572937879.db2.gz PFAPTUQSSXEVAT-KOLCDFICSA-N 2 1 198.310 0.713 10 0 ACAEMP CC[N@@H+](CCO)[C@H]1CCC[C@H]([NH3+])C1 86431618 572937912 /nfs/dbraw/zinc/93/79/12/572937912.db2.gz JAUKVFKFCKHGHP-UWVGGRQHSA-N 2 1 186.299 0.571 10 0 ACAEMP 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86397296 572931014 /nfs/dbraw/zinc/93/10/14/572931014.db2.gz CVELQPPPAXLWCF-MNOVXSKESA-N 2 1 199.342 0.798 10 0 ACAEMP CC[N@@H+](CC(C)(C)C)[C@H](CN)CO 308202693 572931033 /nfs/dbraw/zinc/93/10/33/572931033.db2.gz QUBLQLGQZGACFX-SECBINFHSA-N 2 1 188.315 0.674 10 0 ACAEMP CCN(CC(C)(C)C)[C@H](C[NH3+])CO 308202693 572931037 /nfs/dbraw/zinc/93/10/37/572931037.db2.gz QUBLQLGQZGACFX-SECBINFHSA-N 2 1 188.315 0.674 10 0 ACAEMP CC[N@H+](CC(C)(C)C)[C@H](C[NH3+])CO 308202693 572931040 /nfs/dbraw/zinc/93/10/40/572931040.db2.gz QUBLQLGQZGACFX-SECBINFHSA-N 2 1 188.315 0.674 10 0 ACAEMP CC[N@@H+](CC(C)(C)C)[C@H](C[NH3+])CO 308202693 572931041 /nfs/dbraw/zinc/93/10/41/572931041.db2.gz QUBLQLGQZGACFX-SECBINFHSA-N 2 1 188.315 0.674 10 0 ACAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@H](CO)C1 250533110 572931042 /nfs/dbraw/zinc/93/10/42/572931042.db2.gz XXLCBRUYWGIKSI-RKDXNWHRSA-N 2 1 172.272 0.036 10 0 ACAEMP CN(C)C(C)(C)C[NH2+][C@@H]1CC[C@@H]([NH3+])C1 86397756 572931069 /nfs/dbraw/zinc/93/10/69/572931069.db2.gz GNFXQKXLBSSZRL-NXEZZACHSA-N 2 1 199.342 0.796 10 0 ACAEMP C[NH+](C)CCC[NH2+][C@H]1CC[C@H]([NH3+])C1 86397511 572931090 /nfs/dbraw/zinc/93/10/90/572931090.db2.gz BHGQKWAHRVLUEL-UWVGGRQHSA-N 3 1 185.315 0.408 10 0 ACAEMP CC[NH2+]C1CC[NH+]([C@@H](C)CO)CC1 308195637 572937455 /nfs/dbraw/zinc/93/74/55/572937455.db2.gz QRVKIHLQGBBGTH-VIFPVBQESA-N 2 1 186.299 0.441 10 0 ACAEMP CN(C)CC[N@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86432879 572937731 /nfs/dbraw/zinc/93/77/31/572937731.db2.gz DAZLELSTOYGDAG-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CN(C)CC[N@@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86432879 572937734 /nfs/dbraw/zinc/93/77/34/572937734.db2.gz DAZLELSTOYGDAG-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[N@@H+](CCO)[C@@H]1CCC[C@H]([NH3+])C1 86431616 572937742 /nfs/dbraw/zinc/93/77/42/572937742.db2.gz JAUKVFKFCKHGHP-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+]1CCC[C@@H]1CCO 308196568 572937756 /nfs/dbraw/zinc/93/77/56/572937756.db2.gz MZGHDLOTJMIHDO-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP CC[N@@H+](CCOC)[C@H]1CC[C@H]([NH3+])C1 86432022 572937772 /nfs/dbraw/zinc/93/77/72/572937772.db2.gz XFLLCSGQNSPLCT-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP C[NH2+]CN(C)CC[C@H]1CC[N@@H+](C)C1 258795098 573576718 /nfs/dbraw/zinc/57/67/18/573576718.db2.gz CTWSOSQUCFTCLF-SNVBAGLBSA-N 2 1 185.315 0.437 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]C1CCC(CO)CC1 308210620 572941527 /nfs/dbraw/zinc/94/15/27/572941527.db2.gz WBQJQUAJOFXPKD-XNWIYYODSA-N 2 1 186.299 0.474 10 0 ACAEMP C[C@@H](CC[NH3+])C[NH2+]C[C@@H]1CC[N@@H+](C)C1 258795231 573576813 /nfs/dbraw/zinc/57/68/13/573576813.db2.gz CHEDOYHRBZEDIO-QWRGUYRKSA-N 3 1 199.342 0.513 10 0 ACAEMP C[C@@H](CC[NH3+])C[NH2+]C[C@@H]1CCN(C)C1 258795231 573576816 /nfs/dbraw/zinc/57/68/16/573576816.db2.gz CHEDOYHRBZEDIO-QWRGUYRKSA-N 2 1 199.342 0.513 10 0 ACAEMP C[N@@H+]1CCC[C@H]([C@H]2[NH2+]CCO2)C1 258065407 573576819 /nfs/dbraw/zinc/57/68/19/573576819.db2.gz GUZMAWUGCWEGPC-IUCAKERBSA-N 2 1 170.256 0.274 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H]2[NH2+]CCO2)C1 258065407 573576824 /nfs/dbraw/zinc/57/68/24/573576824.db2.gz GUZMAWUGCWEGPC-IUCAKERBSA-N 2 1 170.256 0.274 10 0 ACAEMP C[C@@H](CC[NH3+])C[NH2+]C[C@H]1CC[N@@H+](C)C1 258795236 573576877 /nfs/dbraw/zinc/57/68/77/573576877.db2.gz CHEDOYHRBZEDIO-WDEREUQCSA-N 3 1 199.342 0.513 10 0 ACAEMP C[C@@H](CC[NH3+])C[NH2+]C[C@H]1CCN(C)C1 258795236 573576882 /nfs/dbraw/zinc/57/68/82/573576882.db2.gz CHEDOYHRBZEDIO-WDEREUQCSA-N 2 1 199.342 0.513 10 0 ACAEMP C[C@H](C[NH3+])CN(C)[C@H]1CC[N@@H+](C)C1 258803323 573585536 /nfs/dbraw/zinc/58/55/36/573585536.db2.gz RPPAMHWDVZIYKS-ZJUUUORDSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@H](C[NH3+])C[N@H+](C)[C@H]1CCN(C)C1 258803323 573585541 /nfs/dbraw/zinc/58/55/41/573585541.db2.gz RPPAMHWDVZIYKS-ZJUUUORDSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCN(C)C1 258803323 573585548 /nfs/dbraw/zinc/58/55/48/573585548.db2.gz RPPAMHWDVZIYKS-ZJUUUORDSA-N 2 1 185.315 0.217 10 0 ACAEMP CC(C)[C@H]([NH3+])C[N@H+]1CCC[C@@H]1CO 238164326 572960961 /nfs/dbraw/zinc/96/09/61/572960961.db2.gz NPJDQVQDKHGSEU-NXEZZACHSA-N 2 1 186.299 0.426 10 0 ACAEMP C[NH2+]C[C@@H](COC)[N@@H+]1CC[C@H](C)C1 299999433 572961038 /nfs/dbraw/zinc/96/10/38/572961038.db2.gz VDWLXGWJDQHRQI-UWVGGRQHSA-N 2 1 186.299 0.563 10 0 ACAEMP C[NH2+]C[C@@H](COC)[N@H+]1CC[C@H](C)C1 299999433 572961039 /nfs/dbraw/zinc/96/10/39/572961039.db2.gz VDWLXGWJDQHRQI-UWVGGRQHSA-N 2 1 186.299 0.563 10 0 ACAEMP C[NH2+][C@H]1CC[C@H]([N@@H+](C)CCOC)C1 86619060 572966651 /nfs/dbraw/zinc/96/66/51/572966651.db2.gz JJTLKHNKQOJGLR-UWVGGRQHSA-N 2 1 186.299 0.705 10 0 ACAEMP C[NH+](C)C[C@@]1(O)CC[N@H+](CC2CC2)C1 713660268 572970207 /nfs/dbraw/zinc/97/02/07/572970207.db2.gz LWCSWKLXQSNYID-NSHDSACASA-N 2 1 198.310 0.395 10 0 ACAEMP C[NH+](C)C[C@@]1(O)CC[N@@H+](CC2CC2)C1 713660268 572970209 /nfs/dbraw/zinc/97/02/09/572970209.db2.gz LWCSWKLXQSNYID-NSHDSACASA-N 2 1 198.310 0.395 10 0 ACAEMP COCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 86730440 572974364 /nfs/dbraw/zinc/97/43/64/572974364.db2.gz KZUFQVHLBQNAPD-RKDXNWHRSA-N 2 1 172.272 0.363 10 0 ACAEMP COCCCC[NH2+][C@@H]1CC[NH2+]C1 86729505 572974386 /nfs/dbraw/zinc/97/43/86/572974386.db2.gz OATCYUFEZLEABK-SECBINFHSA-N 2 1 172.272 0.365 10 0 ACAEMP OC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1 86730830 572974392 /nfs/dbraw/zinc/97/43/92/572974392.db2.gz JGMHBQPSSSFDQK-OUAUKWLOSA-N 2 1 198.310 0.347 10 0 ACAEMP CSC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C1 86730217 572974850 /nfs/dbraw/zinc/97/48/50/572974850.db2.gz ZZLHLKFKNPEHKE-RKDXNWHRSA-N 2 1 188.340 0.937 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@H]1CO[C@H](C[NH3+])C1 713808287 572974884 /nfs/dbraw/zinc/97/48/84/572974884.db2.gz AKCGELFUFREPFO-VWYCJHECSA-N 2 1 198.310 0.835 10 0 ACAEMP COCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 86730444 572974911 /nfs/dbraw/zinc/97/49/11/572974911.db2.gz KZUFQVHLBQNAPD-BDAKNGLRSA-N 2 1 172.272 0.363 10 0 ACAEMP C[NH+](C)CCCC[NH2+][C@H]1CC[NH2+]C1 86729629 572975047 /nfs/dbraw/zinc/97/50/47/572975047.db2.gz OSEZZNVEIZSTHV-JTQLQIEISA-N 3 1 185.315 0.280 10 0 ACAEMP CCCn1cc[nH+]c1C[C@H](O)C[NH3+] 86755116 572977069 /nfs/dbraw/zinc/97/70/69/572977069.db2.gz OQIMGTZCGIODFA-QMMMGPOBSA-N 2 1 183.255 0.155 10 0 ACAEMP C[NH2+]C[C@@]1(OC)CC[N@H+](C2CC2)C1 257919467 572998710 /nfs/dbraw/zinc/99/87/10/572998710.db2.gz RFJJUYCKOGHJLI-JTQLQIEISA-N 2 1 184.283 0.459 10 0 ACAEMP C[N@H+]1CC[C@H]([C@]2(C)NCCO2)C1 258468494 572998795 /nfs/dbraw/zinc/99/87/95/572998795.db2.gz KVILBADDNGSNCE-DTWKUNHWSA-N 2 1 170.256 0.274 10 0 ACAEMP C[N@@H+]1CC[C@H]([C@]2(C)[NH2+]CCO2)C1 258468494 572998800 /nfs/dbraw/zinc/99/88/00/572998800.db2.gz KVILBADDNGSNCE-DTWKUNHWSA-N 2 1 170.256 0.274 10 0 ACAEMP C[N@H+]1CC[C@H]([C@]2(C)[NH2+]CCO2)C1 258468494 572998803 /nfs/dbraw/zinc/99/88/03/572998803.db2.gz KVILBADDNGSNCE-DTWKUNHWSA-N 2 1 170.256 0.274 10 0 ACAEMP CO[C@]1(C)CC[N@@H+](CCCC(N)=[NH2+])C1 308474342 573010210 /nfs/dbraw/zinc/01/02/10/573010210.db2.gz JBCJLNMYCMHMDM-SNVBAGLBSA-N 2 1 199.298 0.813 10 0 ACAEMP C[C@@]1(C[NH+]2CCCCC2)COC[C@@H]1[NH3+] 85395898 573010801 /nfs/dbraw/zinc/01/08/01/573010801.db2.gz CKTZYPMRMIKFEH-WDEREUQCSA-N 2 1 198.310 0.836 10 0 ACAEMP C[C@@H]1CCC[N@@H+]1C[C@]1(C)COC[C@@H]1[NH3+] 85396113 573014162 /nfs/dbraw/zinc/01/41/62/573014162.db2.gz KTODZRULODLBNO-OUAUKWLOSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@]1(C)COC[C@@H]1[NH3+] 85396113 573014167 /nfs/dbraw/zinc/01/41/67/573014167.db2.gz KTODZRULODLBNO-OUAUKWLOSA-N 2 1 198.310 0.835 10 0 ACAEMP CC(C)[N@H+](C)C[C@]1(C)COC[C@@H]1[NH3+] 85395888 573014384 /nfs/dbraw/zinc/01/43/84/573014384.db2.gz HORKCFBXOSZCAB-VHSXEESVSA-N 2 1 186.299 0.690 10 0 ACAEMP CC(C)[N@@H+](C)C[C@]1(C)COC[C@@H]1[NH3+] 85395888 573014388 /nfs/dbraw/zinc/01/43/88/573014388.db2.gz HORKCFBXOSZCAB-VHSXEESVSA-N 2 1 186.299 0.690 10 0 ACAEMP CC(C)[N@@H+]1CC[C@H]([C@H]2[NH2+]CCO2)C1 258223512 573014448 /nfs/dbraw/zinc/01/44/48/573014448.db2.gz XUGLPSGJLFTBGA-UWVGGRQHSA-N 2 1 184.283 0.663 10 0 ACAEMP CC(C)[N@H+]1CC[C@H]([C@H]2[NH2+]CCO2)C1 258223512 573014456 /nfs/dbraw/zinc/01/44/56/573014456.db2.gz XUGLPSGJLFTBGA-UWVGGRQHSA-N 2 1 184.283 0.663 10 0 ACAEMP CC[C@H](C[NH3+])[C@@]1(O)CC[N@H+]2CCC[C@@H]21 123437023 573014475 /nfs/dbraw/zinc/01/44/75/573014475.db2.gz XDMOFDYCAYIEJW-MXWKQRLJSA-N 2 1 198.310 0.571 10 0 ACAEMP C[NH2+]CCNCC[C@@H]1CCC[N@H+](C)C1 258803392 573588214 /nfs/dbraw/zinc/58/82/14/573588214.db2.gz RQMJEFQYBSJVQL-NSHDSACASA-N 2 1 199.342 0.527 10 0 ACAEMP CC[N@@H+]1CC[C@@H]([C@@H]2[NH2+]CCO2)C1 258225650 573015445 /nfs/dbraw/zinc/01/54/45/573015445.db2.gz XZCXLNWMUGRNBQ-RKDXNWHRSA-N 2 1 170.256 0.274 10 0 ACAEMP CC[N@H+]1CC[C@@H]([C@@H]2[NH2+]CCO2)C1 258225650 573015453 /nfs/dbraw/zinc/01/54/53/573015453.db2.gz XZCXLNWMUGRNBQ-RKDXNWHRSA-N 2 1 170.256 0.274 10 0 ACAEMP C[NH2+]CCNCC[C@@H]1CCC[N@@H+](C)C1 258803392 573588220 /nfs/dbraw/zinc/58/82/20/573588220.db2.gz RQMJEFQYBSJVQL-NSHDSACASA-N 2 1 199.342 0.527 10 0 ACAEMP CC[NH+](CC)Cc1nonc1CC[NH3+] 82384332 573019973 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VKOLKVAXCIVAFF-YLWLKBPMSA-N 2 1 167.212 0.044 10 0 ACAEMP C[C@@H](O)[C@H]([NH3+])c1c[nH+]ccc1N 104573559 573024700 /nfs/dbraw/zinc/02/47/00/573024700.db2.gz VKOLKVAXCIVAFF-XRGYYRRGSA-N 2 1 167.212 0.044 10 0 ACAEMP C[NH+](C)[C@H](CN)[C@@H]1CCCOC1 82399904 573024845 /nfs/dbraw/zinc/02/48/45/573024845.db2.gz VZQZRSUBONAMPX-RKDXNWHRSA-N 2 1 172.272 0.302 10 0 ACAEMP C[C@@H]1CC[C@@H]([NH3+])[C@@H](C)[N@H+]1C 238443806 573591393 /nfs/dbraw/zinc/59/13/93/573591393.db2.gz ZVQIGWHBPACQQI-BWZBUEFSSA-N 2 1 142.246 0.816 10 0 ACAEMP C[NH+](C)[C@H](C[NH3+])[C@@H]1CCCOC1 82399904 573024849 /nfs/dbraw/zinc/02/48/49/573024849.db2.gz VZQZRSUBONAMPX-RKDXNWHRSA-N 2 1 172.272 0.302 10 0 ACAEMP CC[C@H]1CC[N@H+](CCOC)CC[NH2+]1 49661725 573027639 /nfs/dbraw/zinc/02/76/39/573027639.db2.gz GYHKWQHFEHUHFF-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP CC[C@H]1CC[N@@H+](CCOC)CC[NH2+]1 49661725 573027642 /nfs/dbraw/zinc/02/76/42/573027642.db2.gz GYHKWQHFEHUHFF-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP 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ACAEMP C[C@H]1[N@@H+](C2CC2)CCC[C@@]1([NH3+])CCO 215051154 573081396 /nfs/dbraw/zinc/08/13/96/573081396.db2.gz LVLBKZMUVJYVSE-MWLCHTKSSA-N 2 1 198.310 0.713 10 0 ACAEMP C[C@H]1[N@H+](C2CC2)CCC[C@@]1([NH3+])CCO 215051154 573081401 /nfs/dbraw/zinc/08/14/01/573081401.db2.gz LVLBKZMUVJYVSE-MWLCHTKSSA-N 2 1 198.310 0.713 10 0 ACAEMP CC[N@@H+]1C[C@@H](C)[C@@H](NCC[NH+](C)C)C1 308489725 573072263 /nfs/dbraw/zinc/07/22/63/573072263.db2.gz BCLYBCSOSWRLNS-MNOVXSKESA-N 2 1 199.342 0.478 10 0 ACAEMP CC[N@H+]1C[C@@H](C)[C@@H](NCC[NH+](C)C)C1 308489725 573072268 /nfs/dbraw/zinc/07/22/68/573072268.db2.gz BCLYBCSOSWRLNS-MNOVXSKESA-N 2 1 199.342 0.478 10 0 ACAEMP C[C@H](CN1CC[N@@H+](C)[C@H](C)C1)C(N)=[NH2+] 82483815 573072289 /nfs/dbraw/zinc/07/22/89/573072289.db2.gz FALIFYMHIRMHKB-RKDXNWHRSA-N 2 1 198.314 0.194 10 0 ACAEMP C[C@H](C[N@@H+]1CCN(C)[C@H](C)C1)C(N)=[NH2+] 82483815 573072294 /nfs/dbraw/zinc/07/22/94/573072294.db2.gz FALIFYMHIRMHKB-RKDXNWHRSA-N 2 1 198.314 0.194 10 0 ACAEMP 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181.283 0.838 10 0 ACAEMP C[C@H](C[NH3+])N[C@H]1CC[N@H+]2CCCC[C@@H]12 235463652 573107015 /nfs/dbraw/zinc/10/70/15/573107015.db2.gz HNFVPRHVUXKKIS-VWYCJHECSA-N 2 1 197.326 0.550 10 0 ACAEMP CCC[C@@H]1SC[C@H]([NH3+])[C@@H]1[NH3+] 238281265 573121515 /nfs/dbraw/zinc/12/15/15/573121515.db2.gz ASMRFYCGVRPOPA-ACZMJKKPSA-N 2 1 160.286 0.557 10 0 ACAEMP C[C@H]1C[C@H](N)C[N@@H+]1C 88285999 573114924 /nfs/dbraw/zinc/11/49/24/573114924.db2.gz RJRPQETZPJBQBP-WDSKDSINSA-N 2 1 114.192 0.038 10 0 ACAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1C 88285999 573114935 /nfs/dbraw/zinc/11/49/35/573114935.db2.gz RJRPQETZPJBQBP-WDSKDSINSA-N 2 1 114.192 0.038 10 0 ACAEMP C[C@H]1C[C@H]([NH3+])C[N@H+]1C 88285999 573114938 /nfs/dbraw/zinc/11/49/38/573114938.db2.gz RJRPQETZPJBQBP-WDSKDSINSA-N 2 1 114.192 0.038 10 0 ACAEMP C[C@H]([NH3+])C(C)(C)C[NH+]1CCN(C)CC1 85678142 573114990 /nfs/dbraw/zinc/11/49/90/573114990.db2.gz WMEGSJRBKIHIFC-JTQLQIEISA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@@H]([NH3+])C(C)(C)C[N@H+]1CC[C@H](O)C1 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ACAEMP C[C@H]1C[C@@H](O)C[N@H+]1CC(C)(C)C(N)=[NH2+] 405190582 573421946 /nfs/dbraw/zinc/42/19/46/573421946.db2.gz QIRNKGYECCGBPL-JGVFFNPUSA-N 2 1 199.298 0.404 10 0 ACAEMP C[C@@H]([NH3+])Cc1[nH]c2c([nH+]1)CCC2 107221746 573422159 /nfs/dbraw/zinc/42/21/59/573422159.db2.gz ZJHYLBPXHNZLIR-ZCFIWIBFSA-N 2 1 165.240 0.788 10 0 ACAEMP CC1(C)C[N@H+]([C@@H]2CC[C@H]([NH3+])C2)CCO1 86431536 573426315 /nfs/dbraw/zinc/42/63/15/573426315.db2.gz CRTYFESZWZWCNE-VHSXEESVSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+](CCO)[C@H]1CCC[C@H]([NH3+])C1 86431610 573426335 /nfs/dbraw/zinc/42/63/35/573426335.db2.gz NIBNWRQYDMCGEQ-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP CN(C)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]([NH3+])C2)C1 86432808 573426367 /nfs/dbraw/zinc/42/63/67/573426367.db2.gz ZYEHAYFKPWCZHT-HBNTYKKESA-N 2 1 197.326 0.502 10 0 ACAEMP CN(C)[C@@H]1CC[N@H+]([C@@H]2CC[C@H]([NH3+])C2)C1 86432808 573426375 /nfs/dbraw/zinc/42/63/75/573426375.db2.gz ZYEHAYFKPWCZHT-HBNTYKKESA-N 2 1 197.326 0.502 10 0 ACAEMP C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CC[C@H]([NH3+])C1 86431877 573426436 /nfs/dbraw/zinc/42/64/36/573426436.db2.gz BNCABIQPDYIHDN-AXFHLTTASA-N 2 1 198.310 0.977 10 0 ACAEMP CC1(C)C[N@H+]([C@H]2CC[C@H]([NH3+])C2)CCO1 86431540 573426457 /nfs/dbraw/zinc/42/64/57/573426457.db2.gz CRTYFESZWZWCNE-UWVGGRQHSA-N 2 1 198.310 0.977 10 0 ACAEMP COC[C@@H]1CC[N@H+]([C@@H]2CC[C@H]([NH3+])C2)C1 86432971 573426514 /nfs/dbraw/zinc/42/65/14/573426514.db2.gz DZFYCTAAMOCHKB-OUAUKWLOSA-N 2 1 198.310 0.835 10 0 ACAEMP CCC[NH+](CCC)[C@H](C[NH3+])CO 130012967 573426579 /nfs/dbraw/zinc/42/65/79/573426579.db2.gz BQGUMIJYWNPSDW-SECBINFHSA-N 2 1 174.288 0.428 10 0 ACAEMP C[N@@H+](CC(C)(C)O)[C@@H]1CC[C@H]([NH3+])C1 86433075 573426731 /nfs/dbraw/zinc/42/67/31/573426731.db2.gz HJRCSQMTOBHUHK-DTWKUNHWSA-N 2 1 186.299 0.569 10 0 ACAEMP [NH3+][C@@H]1CCC[C@@H]([N@H+]2CC[C@H](O)C2)C1 86432723 573426744 /nfs/dbraw/zinc/42/67/44/573426744.db2.gz ZEIGTVJTVMRLIV-BBBLOLIVSA-N 2 1 184.283 0.323 10 0 ACAEMP [NH3+][C@@H]1CCC[C@@H]([N@H+]2CCCOCC2)C1 86432752 573426823 /nfs/dbraw/zinc/42/68/23/573426823.db2.gz KHJITNJGJFEGDU-GHMZBOCLSA-N 2 1 198.310 0.979 10 0 ACAEMP [NH3+]C1CCC([N@H+]2CCC[C@@H]2CO)CC1 86431742 573426836 /nfs/dbraw/zinc/42/68/36/573426836.db2.gz YPVOOLXKVLQXCG-VQXHTEKXSA-N 2 1 198.310 0.713 10 0 ACAEMP C[NH+]1CC(n2nccc2CCC[NH3+])C1 257811591 573426901 /nfs/dbraw/zinc/42/69/01/573426901.db2.gz BHPZJZISKLLOGE-UHFFFAOYSA-N 2 1 194.282 0.261 10 0 ACAEMP CC[C@@H]1COCC[N@H+]1[C@@H]1CC[C@H]([NH3+])C1 86431552 573426985 /nfs/dbraw/zinc/42/69/85/573426985.db2.gz LJISWDHOWNRDCU-HBNTYKKESA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+](C1CCCC1)[C@H](C[NH3+])CO 130022913 573427013 /nfs/dbraw/zinc/42/70/13/573427013.db2.gz QXOJVZZZTNJSOF-SECBINFHSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+](C1CCCC1)[C@H](C[NH3+])CO 130022913 573427019 /nfs/dbraw/zinc/42/70/19/573427019.db2.gz QXOJVZZZTNJSOF-SECBINFHSA-N 2 1 172.272 0.180 10 0 ACAEMP CCC(CC)[N@@H+](C)[C@@H](CN)CO 130034105 573430598 /nfs/dbraw/zinc/43/05/98/573430598.db2.gz PMNRIHWINKAICG-VIFPVBQESA-N 2 1 174.288 0.426 10 0 ACAEMP CCC(CC)[N@@H+](C)[C@@H](C[NH3+])CO 130034105 573430609 /nfs/dbraw/zinc/43/06/09/573430609.db2.gz PMNRIHWINKAICG-VIFPVBQESA-N 2 1 174.288 0.426 10 0 ACAEMP CC[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2C[N@H+]1C 107223691 573429958 /nfs/dbraw/zinc/42/99/58/573429958.db2.gz YHAVBBMACDNQIM-OPRDCNLKSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C(C)(C)[N@H+]1C 107223761 573430125 /nfs/dbraw/zinc/43/01/25/573430125.db2.gz KGQKIENFGADCEN-HLTSFMKQSA-N 2 1 168.284 0.935 10 0 ACAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CC[N@H+]1C 107223778 573430486 /nfs/dbraw/zinc/43/04/86/573430486.db2.gz HPPQCGHAVTYVIG-IVZWLZJFSA-N 2 1 168.284 0.936 10 0 ACAEMP C[NH2+]Cc1cnn([C@H]2CC[N@@H+](C)C2)c1 257813616 573441940 /nfs/dbraw/zinc/44/19/40/573441940.db2.gz CFYFHZPFXLYWJY-JTQLQIEISA-N 2 1 194.282 0.479 10 0 ACAEMP C[N@H+]1CCC[C@H]1C1([NH3+])CCC1 258023216 573442028 /nfs/dbraw/zinc/44/20/28/573442028.db2.gz NNJIHVNLJDETJQ-QMMMGPOBSA-N 2 1 154.257 0.962 10 0 ACAEMP CC[C@@H](C(N)=[NH2+])N(C)[C@H]1CC[N@@H+](C)C1 308587363 573442064 /nfs/dbraw/zinc/44/20/64/573442064.db2.gz STWTXMHXPOLYDY-IUCAKERBSA-N 2 1 198.314 0.337 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@H]([NH3+])C(C)(C)CC[NH3+])C1 259103119 573445038 /nfs/dbraw/zinc/44/50/38/573445038.db2.gz BCBWZLDPCUJUDZ-ZJUUUORDSA-N 3 1 199.342 0.640 10 0 ACAEMP CC(C)CC[N@H+](C)[C@@H](CN)CO 130053100 573445197 /nfs/dbraw/zinc/44/51/97/573445197.db2.gz SKAFKFNPRLAONQ-VIFPVBQESA-N 2 1 174.288 0.284 10 0 ACAEMP CC(C)CC[N@@H+](C)[C@@H](CN)CO 130053100 573445201 /nfs/dbraw/zinc/44/52/01/573445201.db2.gz SKAFKFNPRLAONQ-VIFPVBQESA-N 2 1 174.288 0.284 10 0 ACAEMP CC[C@H](C[NH3+])[C@H]([NH3+])[C@H]1CC[N@@H+](C)C1 259451312 573445264 /nfs/dbraw/zinc/44/52/64/573445264.db2.gz OCEBEAKJTDLEGV-UTLUCORTSA-N 3 1 185.315 0.250 10 0 ACAEMP CC[C@H](C[NH3+])[C@H](N)[C@H]1CC[N@H+](C)C1 259451312 573445269 /nfs/dbraw/zinc/44/52/69/573445269.db2.gz OCEBEAKJTDLEGV-UTLUCORTSA-N 2 1 185.315 0.250 10 0 ACAEMP CC[C@H](C[NH3+])[C@H](N)[C@H]1CC[N@@H+](C)C1 259451312 573445273 /nfs/dbraw/zinc/44/52/73/573445273.db2.gz OCEBEAKJTDLEGV-UTLUCORTSA-N 2 1 185.315 0.250 10 0 ACAEMP CN1C(N)=[NH+]C[C@]12CCC[N@@H+](C)CC2 86458743 573445347 /nfs/dbraw/zinc/44/53/47/573445347.db2.gz YZCRCPAHBWJYRT-SNVBAGLBSA-N 2 1 196.298 0.101 10 0 ACAEMP CC[C@H](C(N)=[NH2+])N(C)[C@@H]1CC[N@@H+](C)C1 308587364 573445383 /nfs/dbraw/zinc/44/53/83/573445383.db2.gz STWTXMHXPOLYDY-RKDXNWHRSA-N 2 1 198.314 0.337 10 0 ACAEMP Cc1[nH+]c([C@H]2CCOC2)[nH]c1CC[NH3+] 257811273 573445590 /nfs/dbraw/zinc/44/55/90/573445590.db2.gz BBMIKVDVGDWOSJ-QMMMGPOBSA-N 2 1 195.266 0.723 10 0 ACAEMP C[N@H+]1CCC[C@@H](C(=O)C(C)(C)C[NH3+])C1 259103341 573445600 /nfs/dbraw/zinc/44/56/00/573445600.db2.gz HGVOQXSYCBUIEE-SECBINFHSA-N 2 1 198.310 0.882 10 0 ACAEMP CC(C)C[C@H](C)[N@@H+](C)[C@@H](CN)CO 130071228 573454027 /nfs/dbraw/zinc/45/40/27/573454027.db2.gz CKECRJBTQQYBBL-UWVGGRQHSA-N 2 1 188.315 0.672 10 0 ACAEMP CC(C)C[C@H](C)N(C)[C@@H](C[NH3+])CO 130071228 573454035 /nfs/dbraw/zinc/45/40/35/573454035.db2.gz CKECRJBTQQYBBL-UWVGGRQHSA-N 2 1 188.315 0.672 10 0 ACAEMP CC(C)N1C(N)=[NH+]C[C@]12CC[N@@H+](C)C2 86473277 573453309 /nfs/dbraw/zinc/45/33/09/573453309.db2.gz BYVCCGVRESKCLY-JTQLQIEISA-N 2 1 196.298 0.099 10 0 ACAEMP CC[NH+](CC)C[C@@H](F)C[NH3+] 107257585 573453337 /nfs/dbraw/zinc/45/33/37/573453337.db2.gz UGNOZCIRXCPEAJ-ZETCQYMHSA-N 2 1 148.225 0.625 10 0 ACAEMP CC[NH2+]C1(C[NH3+])CCC1 86475137 573453399 /nfs/dbraw/zinc/45/33/99/573453399.db2.gz LTAXKGASGPUKRM-UHFFFAOYSA-N 2 1 128.219 0.477 10 0 ACAEMP [NH3+]CCCC[N@H+]1CC[C@H](F)C1 107260985 573453522 /nfs/dbraw/zinc/45/35/22/573453522.db2.gz JUAMOKLHAOSRFV-QMMMGPOBSA-N 2 1 160.236 0.769 10 0 ACAEMP CC[C@@](C)([NH3+])CN(C)[C@H]1CC[N@@H+](C)C1 308591281 573453787 /nfs/dbraw/zinc/45/37/87/573453787.db2.gz VPQJWZKZWGHYHI-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[NH+](CC)C[C@H](F)C[NH3+] 107257581 573453809 /nfs/dbraw/zinc/45/38/09/573453809.db2.gz UGNOZCIRXCPEAJ-SSDOTTSWSA-N 2 1 148.225 0.625 10 0 ACAEMP CC(C)[N@@H+](C)[C@H](C)C[C@@](C)(O)C[NH3+] 223299927 573453902 /nfs/dbraw/zinc/45/39/02/573453902.db2.gz AQEYROKIEHZTMX-NXEZZACHSA-N 2 1 188.315 0.815 10 0 ACAEMP CO[C@H](C)C[N@@H+](C)CC(C)=C1C[NH2+]C1 308591785 573458911 /nfs/dbraw/zinc/45/89/11/573458911.db2.gz PHFKVWVNDIUGGP-SNVBAGLBSA-N 2 1 198.310 0.873 10 0 ACAEMP CC[C@@H]1CC[C@@H](C)[N@@H+]1[C@@H](C[NH3+])CO 130171967 573458374 /nfs/dbraw/zinc/45/83/74/573458374.db2.gz OOCRXVFDZZICGL-BBBLOLIVSA-N 2 1 186.299 0.569 10 0 ACAEMP CC[C@@H]1CC[C@@H](C)[N@H+]1[C@@H](C[NH3+])CO 130171967 573458378 /nfs/dbraw/zinc/45/83/78/573458378.db2.gz OOCRXVFDZZICGL-BBBLOLIVSA-N 2 1 186.299 0.569 10 0 ACAEMP C[NH2+][C@H](C[C@@H](C)C[NH3+])[C@H]1CC[N@@H+](C)C1 259454495 573458380 /nfs/dbraw/zinc/45/83/80/573458380.db2.gz PEPBAZZQFUAHOA-OUAUKWLOSA-N 3 1 199.342 0.511 10 0 ACAEMP C[NH2+][C@H](C[C@@H](C)C[NH3+])[C@H]1CCN(C)C1 259454495 573458384 /nfs/dbraw/zinc/45/83/84/573458384.db2.gz PEPBAZZQFUAHOA-OUAUKWLOSA-N 2 1 199.342 0.511 10 0 ACAEMP C[C@]1(C[C@@H]2CCCC[NH2+]2)[NH2+]CCO1 258361017 573458505 /nfs/dbraw/zinc/45/85/05/573458505.db2.gz GGIGEIOIHQDQRT-UWVGGRQHSA-N 2 1 184.283 0.855 10 0 ACAEMP CO[C@@H]1C[C@H]([C@@H]2CCC[NH2+]C2)[N@@H+](C)C1 107265070 573458689 /nfs/dbraw/zinc/45/86/89/573458689.db2.gz NKMQVYLDVOFCSL-GMTAPVOTSA-N 2 1 198.310 0.705 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1[C@@H]1C[NH2+][C@@H](CO)C1 258362477 573458741 /nfs/dbraw/zinc/45/87/41/573458741.db2.gz ZJYCZFODKSHUCL-HBNTYKKESA-N 2 1 198.310 0.441 10 0 ACAEMP [NH3+]C1(CF)CC[NH2+]CC1 107262886 573459706 /nfs/dbraw/zinc/45/97/06/573459706.db2.gz WJIKQOSYELNKGY-UHFFFAOYSA-N 2 1 132.182 0.037 10 0 ACAEMP CO[C@@H](C)C[N@@H+](C)CC(C)=C1C[NH2+]C1 308591783 573459733 /nfs/dbraw/zinc/45/97/33/573459733.db2.gz PHFKVWVNDIUGGP-JTQLQIEISA-N 2 1 198.310 0.873 10 0 ACAEMP C[C@@H]1C[NH2+][C@H]([C@@H]2CCC[N@H+](C)C2)O1 258375452 573459889 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C[C@H]([NH3+])CC[NH2+]C[C@@H]1CC[N@H+](C)C1 258707179 573508417 /nfs/dbraw/zinc/50/84/17/573508417.db2.gz HLZXYGJVJHRIHB-UWVGGRQHSA-N 3 1 185.315 0.265 10 0 ACAEMP C[C@H]([NH3+])CC[NH2+]C[C@@H]1CC[N@@H+](C)C1 258707179 573508422 /nfs/dbraw/zinc/50/84/22/573508422.db2.gz HLZXYGJVJHRIHB-UWVGGRQHSA-N 3 1 185.315 0.265 10 0 ACAEMP CC(C)[N@H+]1CCn2cnc(C[NH3+])c2C1 258715798 573508562 /nfs/dbraw/zinc/50/85/62/573508562.db2.gz ZFMQCXXLCFNGBX-UHFFFAOYSA-N 2 1 194.282 0.566 10 0 ACAEMP CC(C)C[N@H+]1CC[C@@H](N(C)CC[NH3+])C1 258708582 573507904 /nfs/dbraw/zinc/50/79/04/573507904.db2.gz YQJXDXFKEZGONA-LLVKDONJSA-N 2 1 199.342 0.607 10 0 ACAEMP CC(C)C[N@H+]1CC[C@H](N(C)CC[NH3+])C1 258708583 573507914 /nfs/dbraw/zinc/50/79/14/573507914.db2.gz YQJXDXFKEZGONA-NSHDSACASA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@@H]([NH3+])CCNC[C@@H]1CC[N@@H+](C)C1 258707183 573508072 /nfs/dbraw/zinc/50/80/72/573508072.db2.gz HLZXYGJVJHRIHB-ZJUUUORDSA-N 2 1 185.315 0.265 10 0 ACAEMP C[C@@H]([NH3+])CC[NH2+]C[C@@H]1CC[N@H+](C)C1 258707183 573508076 /nfs/dbraw/zinc/50/80/76/573508076.db2.gz HLZXYGJVJHRIHB-ZJUUUORDSA-N 3 1 185.315 0.265 10 0 ACAEMP C[C@@H]([NH3+])CC[NH2+]C[C@@H]1CC[N@@H+](C)C1 258707183 573508081 /nfs/dbraw/zinc/50/80/81/573508081.db2.gz HLZXYGJVJHRIHB-ZJUUUORDSA-N 3 1 185.315 0.265 10 0 ACAEMP C[C@@H]1C[NH2+][C@H](C[C@@H]2CC[N@@H+](C)C2)O1 258712928 573508293 /nfs/dbraw/zinc/50/82/93/573508293.db2.gz VAIHAYXRMNDDAB-UTLUCORTSA-N 2 1 184.283 0.663 10 0 ACAEMP CNc1cc(NCC(C)(C)[NH3+])nc[nH+]1 258717644 573508344 /nfs/dbraw/zinc/50/83/44/573508344.db2.gz SYUFKYWNZXSQQN-UHFFFAOYSA-N 2 1 195.270 0.668 10 0 ACAEMP CC[NH2+][C@H]1C[NH2+]C(C)(C)C1 258716051 573508360 /nfs/dbraw/zinc/50/83/60/573508360.db2.gz LHXXPTLRZANIED-SSDOTTSWSA-N 2 1 142.246 0.736 10 0 ACAEMP CC(C)[C@@H](C[NH3+])[NH2+][C@H]1CCCN(C)C1 258725119 573514758 /nfs/dbraw/zinc/51/47/58/573514758.db2.gz DSWRWGIEODFWOU-WDEREUQCSA-N 2 1 199.342 0.654 10 0 ACAEMP C[C@H](C[NH3+])Cc1c[nH+]cn1C 107325988 573514879 /nfs/dbraw/zinc/51/48/79/573514879.db2.gz HLDJVZZNDXULDF-ZETCQYMHSA-N 2 1 153.229 0.557 10 0 ACAEMP C[C@@H](C[NH3+])Cc1c[nH+]cn1C 107325990 573514170 /nfs/dbraw/zinc/51/41/70/573514170.db2.gz HLDJVZZNDXULDF-SSDOTTSWSA-N 2 1 153.229 0.557 10 0 ACAEMP CC(C)[NH2+]CC[C@H]1C[N@@H+](C)CCN1 258725917 573514217 /nfs/dbraw/zinc/51/42/17/573514217.db2.gz USNCZVJJDTWCPV-JTQLQIEISA-N 2 1 185.315 0.278 10 0 ACAEMP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](CCCO)C2 308610460 573514282 /nfs/dbraw/zinc/51/42/82/573514282.db2.gz LXILIXKYPUFPSI-WDEREUQCSA-N 2 1 198.310 0.430 10 0 ACAEMP C[C@H](C[NH3+])[C@H]([C@H]1CC[N@@H+](C)C1)N(C)C 259483837 573514354 /nfs/dbraw/zinc/51/43/54/573514354.db2.gz KTBXQLBHYNCUBG-OUAUKWLOSA-N 2 1 199.342 0.463 10 0 ACAEMP C[N@H+]1CC[C@H]([C@]2(C)C[C@H]2[NH3+])C1 259484226 573514382 /nfs/dbraw/zinc/51/43/82/573514382.db2.gz XNNAMZWSQBHION-YIZRAAEISA-N 2 1 154.257 0.675 10 0 ACAEMP [NH3+][C@@H]1CC[N@@H+]2CCCC[C@@H]2[C@@H]1F 257824025 573514399 /nfs/dbraw/zinc/51/43/99/573514399.db2.gz GPTMIJLAZMVODY-IWSPIJDZSA-N 2 1 172.247 0.910 10 0 ACAEMP [NH3+][C@@H]1CC[N@H+]2CCCC[C@@H]2[C@@H]1F 257824025 573514402 /nfs/dbraw/zinc/51/44/02/573514402.db2.gz GPTMIJLAZMVODY-IWSPIJDZSA-N 2 1 172.247 0.910 10 0 ACAEMP Cc1[nH]c(C[C@H]2COCC[NH2+]2)[nH+]c1C 258726438 573514430 /nfs/dbraw/zinc/51/44/30/573514430.db2.gz OXODVGSSDVDCLU-VIFPVBQESA-N 2 1 195.266 0.557 10 0 ACAEMP C[N@H+](CCC1CC1)CC[C@@H](O)C[NH3+] 308396631 573514610 /nfs/dbraw/zinc/51/46/10/573514610.db2.gz FCPBWSNLPMMMQI-SNVBAGLBSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@@H]([NH3+])CCN[C@H]1CC[N@H+](C)C1 258728756 573514633 /nfs/dbraw/zinc/51/46/33/573514633.db2.gz JRTUFQLJRBFYCH-BDAKNGLRSA-N 2 1 171.288 0.017 10 0 ACAEMP C[C@@H]([NH3+])CCN[C@H]1CC[N@@H+](C)C1 258728756 573514637 /nfs/dbraw/zinc/51/46/37/573514637.db2.gz JRTUFQLJRBFYCH-BDAKNGLRSA-N 2 1 171.288 0.017 10 0 ACAEMP C[C@H](C[NH3+])[C@@H]([C@H]1CC[N@@H+](C)C1)N(C)C 259483839 573514724 /nfs/dbraw/zinc/51/47/24/573514724.db2.gz KTBXQLBHYNCUBG-VWYCJHECSA-N 2 1 199.342 0.463 10 0 ACAEMP CCn1c(C)c[nH+]c1CC[NH3+] 107326020 573514728 /nfs/dbraw/zinc/51/47/28/573514728.db2.gz URIRJTFZYZEIFH-UHFFFAOYSA-N 2 1 153.229 0.713 10 0 ACAEMP C1C[NH2+]CC[C@@H](C[NH2+][C@H]2CCC[NH2+]2)C1 257826790 573522050 /nfs/dbraw/zinc/52/20/50/573522050.db2.gz HQLABBBRDMMJSN-QWRGUYRKSA-N 3 1 197.326 0.675 10 0 ACAEMP C[N@H+](C1CC[NH2+]CC1)[C@@H]1CCC(=O)C1 86618246 573522085 /nfs/dbraw/zinc/52/20/85/573522085.db2.gz UEMIUGPABQQANA-SNVBAGLBSA-N 2 1 196.294 0.792 10 0 ACAEMP OCC[C@@H]1CCC[N@@H+](CC2C[NH2+]C2)C1 308612702 573522116 /nfs/dbraw/zinc/52/21/16/573522116.db2.gz YYMLLBKPEIDQJE-JTQLQIEISA-N 2 1 198.310 0.300 10 0 ACAEMP CC1(C)C[C@H]([NH2+]C2CC2)C[NH2+]1 258741180 573521414 /nfs/dbraw/zinc/52/14/14/573521414.db2.gz NNAHEWUGBBMJOB-QMMMGPOBSA-N 2 1 154.257 0.879 10 0 ACAEMP C[N@H+]1CC[C@H](CNC(C)(C)CC[NH3+])C1 258737569 573521535 /nfs/dbraw/zinc/52/15/35/573521535.db2.gz FKUJVEHYRHUOPM-SNVBAGLBSA-N 2 1 199.342 0.655 10 0 ACAEMP C[N@@H+]1CC[C@H](C[NH2+]C(C)(C)CC[NH3+])C1 258737569 573521539 /nfs/dbraw/zinc/52/15/39/573521539.db2.gz FKUJVEHYRHUOPM-SNVBAGLBSA-N 3 1 199.342 0.655 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH2+]C(C)(C)CC[NH3+])C1 258737569 573521545 /nfs/dbraw/zinc/52/15/45/573521545.db2.gz FKUJVEHYRHUOPM-SNVBAGLBSA-N 3 1 199.342 0.655 10 0 ACAEMP [NH3+]C[C@H]1CC[N@H+]([C@H]2CCC(=O)C2)C1 86618272 573521793 /nfs/dbraw/zinc/52/17/93/573521793.db2.gz DYMXGEXQECISBU-BDAKNGLRSA-N 2 1 182.267 0.389 10 0 ACAEMP C[C@]1(O)CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 258056922 573522006 /nfs/dbraw/zinc/52/20/06/573522006.db2.gz KKYXIHGANCHVRG-MNOVXSKESA-N 2 1 198.310 0.443 10 0 ACAEMP C1C[NH2+]CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]2)C1 257826791 573522008 /nfs/dbraw/zinc/52/20/08/573522008.db2.gz HQLABBBRDMMJSN-WDEREUQCSA-N 3 1 197.326 0.675 10 0 ACAEMP CC(C)CC1(C[NH3+])C[NH+](C)C1 258744201 573522434 /nfs/dbraw/zinc/52/24/34/573522434.db2.gz ZVEPSYNYOGRRGQ-UHFFFAOYSA-N 2 1 156.273 0.923 10 0 ACAEMP CC1(C)CO[C@H]([C@@H]2CC[NH2+]C2)[NH2+]1 258742452 573522543 /nfs/dbraw/zinc/52/25/43/573522543.db2.gz WDSVBPDOHZQQMK-HTQZYQBOSA-N 2 1 170.256 0.320 10 0 ACAEMP CC[N@@H+](C)[C@H]1CCC[C@]([NH3+])(CO)C1 86617103 573522643 /nfs/dbraw/zinc/52/26/43/573522643.db2.gz DZWJALUTFXGSDW-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@H]1[C@@H](C[NH3+])CC[N@@H+]1CCN(C)C 259486827 573522644 /nfs/dbraw/zinc/52/26/44/573522644.db2.gz RSBXTDUKNBUQTQ-NXEZZACHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@@H]1[C@@H](C[NH3+])CC[N@H+]1CCN(C)C 259486827 573522648 /nfs/dbraw/zinc/52/26/48/573522648.db2.gz RSBXTDUKNBUQTQ-NXEZZACHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@@H]1CO[C@H](C[C@@H]2CCC[N@@H+]2C)[NH2+]1 258746365 573522966 /nfs/dbraw/zinc/52/29/66/573522966.db2.gz WGQPURPQYKWGGX-KXUCPTDWSA-N 2 1 184.283 0.805 10 0 ACAEMP C[C@@H]1CO[C@H](C[C@@H]2CCC[N@H+]2C)[NH2+]1 258746365 573522973 /nfs/dbraw/zinc/52/29/73/573522973.db2.gz WGQPURPQYKWGGX-KXUCPTDWSA-N 2 1 184.283 0.805 10 0 ACAEMP CC[NH2+]C[C@@H](N)[C@@H]1CCC[N@@H+](C)C1 259487180 573524300 /nfs/dbraw/zinc/52/43/00/573524300.db2.gz SSAZIUBZSLSORH-NXEZZACHSA-N 3 1 185.315 0.265 10 0 ACAEMP C[C@@H]([NH3+])CCNC[C@@H]1CCC[N@@H+](C)C1 258751187 573523606 /nfs/dbraw/zinc/52/36/06/573523606.db2.gz MAOXVOIFPVORGG-MNOVXSKESA-N 2 1 199.342 0.655 10 0 ACAEMP C[C@@H]([NH3+])CC[NH2+]C[C@@H]1CCC[N@H+](C)C1 258751187 573523612 /nfs/dbraw/zinc/52/36/12/573523612.db2.gz MAOXVOIFPVORGG-MNOVXSKESA-N 3 1 199.342 0.655 10 0 ACAEMP C[C@@H]([NH3+])CC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 258751187 573523617 /nfs/dbraw/zinc/52/36/17/573523617.db2.gz MAOXVOIFPVORGG-MNOVXSKESA-N 3 1 199.342 0.655 10 0 ACAEMP Cn1c[nH+]c2c1[C@@H](CC[NH3+])CC2 107329202 573523730 /nfs/dbraw/zinc/52/37/30/573523730.db2.gz RTOVYJZZLBEFID-SSDOTTSWSA-N 2 1 165.240 0.799 10 0 ACAEMP CNCC[NH2+]CC[C@@H]1CC[N@@H+](C)C1 258743509 573523896 /nfs/dbraw/zinc/52/38/96/573523896.db2.gz LFFBOJHEKAEDBD-SNVBAGLBSA-N 2 1 185.315 0.137 10 0 ACAEMP C[NH2+]CC[NH2+]CC[C@@H]1CC[N@H+](C)C1 258743509 573523904 /nfs/dbraw/zinc/52/39/04/573523904.db2.gz LFFBOJHEKAEDBD-SNVBAGLBSA-N 3 1 185.315 0.137 10 0 ACAEMP C[NH2+]CC[NH2+]CC[C@@H]1CC[N@@H+](C)C1 258743509 573523907 /nfs/dbraw/zinc/52/39/07/573523907.db2.gz LFFBOJHEKAEDBD-SNVBAGLBSA-N 3 1 185.315 0.137 10 0 ACAEMP C[NH2+]CCNCC[C@@H]1CC[N@H+](C)C1 258743509 573523915 /nfs/dbraw/zinc/52/39/15/573523915.db2.gz LFFBOJHEKAEDBD-SNVBAGLBSA-N 2 1 185.315 0.137 10 0 ACAEMP C[NH2+]CCNCC[C@@H]1CC[N@@H+](C)C1 258743509 573523918 /nfs/dbraw/zinc/52/39/18/573523918.db2.gz LFFBOJHEKAEDBD-SNVBAGLBSA-N 2 1 185.315 0.137 10 0 ACAEMP [NH3+][C@H](CO)C[NH2+]CC1CCCCC1 258748628 573523954 /nfs/dbraw/zinc/52/39/54/573523954.db2.gz ACVGOIKDGLYTRP-JTQLQIEISA-N 2 1 186.299 0.476 10 0 ACAEMP [NH3+]CC[NH2+]CCc1ccc[nH]1 258741754 573523967 /nfs/dbraw/zinc/52/39/67/573523967.db2.gz LBMGMWGSMIFGKE-UHFFFAOYSA-N 2 1 153.229 0.106 10 0 ACAEMP C[C@]1(O)CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 258056923 573524186 /nfs/dbraw/zinc/52/41/86/573524186.db2.gz KKYXIHGANCHVRG-QWRGUYRKSA-N 2 1 198.310 0.443 10 0 ACAEMP Cn1c[nH+]c2c1[C@H](CC[NH3+])CC2 107329201 573524258 /nfs/dbraw/zinc/52/42/58/573524258.db2.gz RTOVYJZZLBEFID-ZETCQYMHSA-N 2 1 165.240 0.799 10 0 ACAEMP C[C@@H]1CO[C@H]([C@@H]2CC[N@H+](C)C2)[NH2+]1 258743361 573527303 /nfs/dbraw/zinc/52/73/03/573527303.db2.gz WGFVYDYVEIABNK-IWSPIJDZSA-N 2 1 170.256 0.273 10 0 ACAEMP C[C@@H]1CO[C@H]([C@@H]2CC[N@@H+](C)C2)[NH2+]1 258743361 573527307 /nfs/dbraw/zinc/52/73/07/573527307.db2.gz WGFVYDYVEIABNK-IWSPIJDZSA-N 2 1 170.256 0.273 10 0 ACAEMP CC1(C)CO[C@H]([C@H]2CC[NH2+]C2)[NH2+]1 258742469 573526538 /nfs/dbraw/zinc/52/65/38/573526538.db2.gz WDSVBPDOHZQQMK-JGVFFNPUSA-N 2 1 170.256 0.320 10 0 ACAEMP C[C@H]([NH3+])CCNC[C@@H]1CCC[N@@H+](C)C1 258751188 573526562 /nfs/dbraw/zinc/52/65/62/573526562.db2.gz MAOXVOIFPVORGG-QWRGUYRKSA-N 2 1 199.342 0.655 10 0 ACAEMP C[C@H]([NH3+])CC[NH2+]C[C@@H]1CCC[N@H+](C)C1 258751188 573526570 /nfs/dbraw/zinc/52/65/70/573526570.db2.gz MAOXVOIFPVORGG-QWRGUYRKSA-N 3 1 199.342 0.655 10 0 ACAEMP C[C@H]([NH3+])CC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 258751188 573526576 /nfs/dbraw/zinc/52/65/76/573526576.db2.gz MAOXVOIFPVORGG-QWRGUYRKSA-N 3 1 199.342 0.655 10 0 ACAEMP CC1(C)CO[C@@H]([C@@H]2CC[NH2+]C2)[NH2+]1 258742485 573526732 /nfs/dbraw/zinc/52/67/32/573526732.db2.gz WDSVBPDOHZQQMK-SFYZADRCSA-N 2 1 170.256 0.320 10 0 ACAEMP CC1(C)CO[C@@H]([C@H]2CC[NH2+]C2)[NH2+]1 258742522 573526882 /nfs/dbraw/zinc/52/68/82/573526882.db2.gz WDSVBPDOHZQQMK-YUMQZZPRSA-N 2 1 170.256 0.320 10 0 ACAEMP C[C@@H]1CO[C@H](C[C@H]2CCC[N@@H+]2C)[NH2+]1 258746369 573526988 /nfs/dbraw/zinc/52/69/88/573526988.db2.gz WGQPURPQYKWGGX-OPRDCNLKSA-N 2 1 184.283 0.805 10 0 ACAEMP C[C@@H]1CO[C@H](C[C@H]2CCC[N@H+]2C)[NH2+]1 258746369 573526993 /nfs/dbraw/zinc/52/69/93/573526993.db2.gz WGQPURPQYKWGGX-OPRDCNLKSA-N 2 1 184.283 0.805 10 0 ACAEMP C[C@@H]([NH3+])CCNC[C@H]1CCC[N@@H+](C)C1 258751185 573527011 /nfs/dbraw/zinc/52/70/11/573527011.db2.gz MAOXVOIFPVORGG-GHMZBOCLSA-N 2 1 199.342 0.655 10 0 ACAEMP 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/nfs/dbraw/zinc/68/57/99/573685799.db2.gz LKVXMTFQAOLBQA-BIIVOSGPSA-N 2 1 160.236 0.623 10 0 ACAEMP C[NH2+]CC[C@H]([NH2+]C)c1cccnc1 259617572 573685941 /nfs/dbraw/zinc/68/59/41/573685941.db2.gz XREAHWQMYNHZMW-JTQLQIEISA-N 2 1 179.267 0.952 10 0 ACAEMP N[C@@H](C[NH3+])C[NH+]1CCCCCC1 258880305 573687939 /nfs/dbraw/zinc/68/79/39/573687939.db2.gz DTTSHBDCKSVUHD-VIFPVBQESA-N 2 1 171.288 0.148 10 0 ACAEMP [NH3+]CC[NH2+][C@@H]1CCOC2(CCC2)C1 86902635 573687313 /nfs/dbraw/zinc/68/73/13/573687313.db2.gz RWULJZIPPXIQLT-SECBINFHSA-N 2 1 184.283 0.636 10 0 ACAEMP C1C[C@@H](C[N@@H+]2C[C@@H]3C[C@H](C2)S3)C[NH2+]1 214950724 573687534 /nfs/dbraw/zinc/68/75/34/573687534.db2.gz BIDOPAAGLLBCGT-BBBLOLIVSA-N 2 1 198.335 0.786 10 0 ACAEMP C1C[C@@H](C[N@H+]2C[C@@H]3C[C@H](C2)S3)C[NH2+]1 214950724 573687539 /nfs/dbraw/zinc/68/75/39/573687539.db2.gz BIDOPAAGLLBCGT-BBBLOLIVSA-N 2 1 198.335 0.786 10 0 ACAEMP CC(C)CCC[NH2+]C[C@@H]([NH3+])CO 258879441 573687680 /nfs/dbraw/zinc/68/76/80/573687680.db2.gz GLIOKNAPYORYOE-SECBINFHSA-N 2 1 174.288 0.332 10 0 ACAEMP [NH3+]CC[NH2+][C@H]1CCOC2(CCC2)C1 86902637 573687737 /nfs/dbraw/zinc/68/77/37/573687737.db2.gz RWULJZIPPXIQLT-VIFPVBQESA-N 2 1 184.283 0.636 10 0 ACAEMP CC(C)[NH2+]CCN(C)[C@H]1CC[N@@H+](C)C1 258883267 573690509 /nfs/dbraw/zinc/69/05/09/573690509.db2.gz KOWJMBRNWNLYDG-NSHDSACASA-N 2 1 199.342 0.620 10 0 ACAEMP C[N@H+]1CCC[C@H](C[C@@H]2C[NH2+]CCO2)C1 259163679 573690941 /nfs/dbraw/zinc/69/09/41/573690941.db2.gz OZABUAIAEGLQOW-GHMZBOCLSA-N 2 1 198.310 0.707 10 0 ACAEMP C[C@H]([NH3+])CCC[NH2+]C1CC[NH+](C)CC1 258883416 573690959 /nfs/dbraw/zinc/69/09/59/573690959.db2.gz KRZJZQKQHBNTHF-JTQLQIEISA-N 3 1 199.342 0.798 10 0 ACAEMP C[NH2+][C@H](c1cc[nH]c1)N1CC[NH2+]CC1 259164067 573691050 /nfs/dbraw/zinc/69/10/50/573691050.db2.gz CXQKXVWMJSFPGQ-JTQLQIEISA-N 2 1 194.282 0.138 10 0 ACAEMP CC[NH+]1CCC([C@H](N)C[NH2+]C)CC1 258085075 573691083 /nfs/dbraw/zinc/69/10/83/573691083.db2.gz JKDVCFAGSWOVAE-SNVBAGLBSA-N 2 1 185.315 0.265 10 0 ACAEMP c1cc(CC[NH2+]C[C@@H]2CCC[NH2+]2)c[nH]1 258883308 573691119 /nfs/dbraw/zinc/69/11/19/573691119.db2.gz KPPOLHUKELMTQP-NSHDSACASA-N 2 1 193.294 0.899 10 0 ACAEMP Cc1ccc[nH+]c1N(C)C[C@H](O)C[NH3+] 308675287 573692399 /nfs/dbraw/zinc/69/23/99/573692399.db2.gz WAOOSXHKMNJAFR-SECBINFHSA-N 2 1 195.266 0.146 10 0 ACAEMP CNc1cc(N2CC[C@H]([NH3+])C2)nc[nH+]1 258883086 573691835 /nfs/dbraw/zinc/69/18/35/573691835.db2.gz DYZTUWUIYOLZGO-ZETCQYMHSA-N 2 1 193.254 0.056 10 0 ACAEMP C[N@H+]1CCC[C@@H](C[C@@H]2C[NH2+]CCO2)C1 259163696 573691858 /nfs/dbraw/zinc/69/18/58/573691858.db2.gz OZABUAIAEGLQOW-WDEREUQCSA-N 2 1 198.310 0.707 10 0 ACAEMP C[C@@H](C[NH+](C)C)NC(=[NH2+])C1CC1 130747639 573692317 /nfs/dbraw/zinc/69/23/17/573692317.db2.gz AFWUNBSODBWOQD-ZETCQYMHSA-N 2 1 169.272 0.913 10 0 ACAEMP C[NH2+]CC[C@H](N)[C@@H]1CCC[N@@H+](C)C1 259162849 573693696 /nfs/dbraw/zinc/69/36/96/573693696.db2.gz DONHJOJITHISNT-ZJUUUORDSA-N 2 1 185.315 0.265 10 0 ACAEMP C[NH2+]CC[C@H]([NH3+])[C@@H]1CCC[N@H+](C)C1 259162849 573693703 /nfs/dbraw/zinc/69/37/03/573693703.db2.gz DONHJOJITHISNT-ZJUUUORDSA-N 3 1 185.315 0.265 10 0 ACAEMP C[NH2+]CC[C@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 259162849 573693704 /nfs/dbraw/zinc/69/37/04/573693704.db2.gz DONHJOJITHISNT-ZJUUUORDSA-N 3 1 185.315 0.265 10 0 ACAEMP C[C@H](C[NH+](C)C)NC(=[NH2+])C1CC1 130747829 573693270 /nfs/dbraw/zinc/69/32/70/573693270.db2.gz AFWUNBSODBWOQD-SSDOTTSWSA-N 2 1 169.272 0.913 10 0 ACAEMP C[NH2+]CCC(=O)[C@H]1CC[N@@H+](C)C1 259163853 573693354 /nfs/dbraw/zinc/69/33/54/573693354.db2.gz LWHMZYNQCNSXFF-QMMMGPOBSA-N 2 1 170.256 0.117 10 0 ACAEMP C[NH2+]CC[C@@H](N)[C@H]1CCC[N@@H+](C)C1 259162845 573693469 /nfs/dbraw/zinc/69/34/69/573693469.db2.gz DONHJOJITHISNT-VHSXEESVSA-N 2 1 185.315 0.265 10 0 ACAEMP C[NH2+]CC[C@@H]([NH3+])[C@H]1CCC[N@H+](C)C1 259162845 573693473 /nfs/dbraw/zinc/69/34/73/573693473.db2.gz DONHJOJITHISNT-VHSXEESVSA-N 3 1 185.315 0.265 10 0 ACAEMP C[NH2+]CC[C@@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 259162845 573693481 /nfs/dbraw/zinc/69/34/81/573693481.db2.gz DONHJOJITHISNT-VHSXEESVSA-N 3 1 185.315 0.265 10 0 ACAEMP C[N@H+]1CC[C@@H](C(=O)[C@H]2CCC[NH2+]C2)C1 259160895 573695042 /nfs/dbraw/zinc/69/50/42/573695042.db2.gz LPMGXAIEIKOWPC-VHSXEESVSA-N 2 1 196.294 0.507 10 0 ACAEMP C[C@H]1CCC[C@@](CO)([NH2+]CC[NH3+])C1 393588889 573695070 /nfs/dbraw/zinc/69/50/70/573695070.db2.gz IAPJJINWWQJIFU-VHSXEESVSA-N 2 1 186.299 0.476 10 0 ACAEMP CCCCC[N@H+]1CCN(C)[C@@H](C[NH3+])C1 259170513 573695120 /nfs/dbraw/zinc/69/51/20/573695120.db2.gz GSNNMZYRSARTOK-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP C[NH2+]CC[C@H](N)[C@H]1CCC[N@@H+](C)C1 259162841 573694514 /nfs/dbraw/zinc/69/45/14/573694514.db2.gz DONHJOJITHISNT-UWVGGRQHSA-N 2 1 185.315 0.265 10 0 ACAEMP C[NH2+]CC[C@H]([NH3+])[C@H]1CCC[N@H+](C)C1 259162841 573694522 /nfs/dbraw/zinc/69/45/22/573694522.db2.gz DONHJOJITHISNT-UWVGGRQHSA-N 3 1 185.315 0.265 10 0 ACAEMP C[NH2+]CC[C@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 259162841 573694528 /nfs/dbraw/zinc/69/45/28/573694528.db2.gz DONHJOJITHISNT-UWVGGRQHSA-N 3 1 185.315 0.265 10 0 ACAEMP CCN(CC)[C@@]1(C[NH3+])C[C@H](C)[N@@H+](C)C1 126834976 573694566 /nfs/dbraw/zinc/69/45/66/573694566.db2.gz JRKFHWMCFWYGOH-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP C[N@H+]1CC[C@@H](C(=O)[C@@H]2CCC[NH2+]C2)C1 259160890 573694662 /nfs/dbraw/zinc/69/46/62/573694662.db2.gz LPMGXAIEIKOWPC-NXEZZACHSA-N 2 1 196.294 0.507 10 0 ACAEMP CC(C)[NH2+]CC(=O)[C@H]1CC[N@@H+](C)C1 259170443 573694750 /nfs/dbraw/zinc/69/47/50/573694750.db2.gz MJIWSZGEFFNHAY-VIFPVBQESA-N 2 1 184.283 0.505 10 0 ACAEMP C[NH2+]CCCC(=O)[C@H]1CC[N@@H+](C)C1 259170407 573694848 /nfs/dbraw/zinc/69/48/48/573694848.db2.gz MJEBHTFULSCWHU-VIFPVBQESA-N 2 1 184.283 0.507 10 0 ACAEMP C[N@H+]1CC[C@H](C(=O)[C@@H]2CCC[NH2+]C2)C1 259160898 573694921 /nfs/dbraw/zinc/69/49/21/573694921.db2.gz LPMGXAIEIKOWPC-ZJUUUORDSA-N 2 1 196.294 0.507 10 0 ACAEMP C[N@H+]1CC[C@H](C(=O)[C@H]2CCC[NH2+]C2)C1 259160892 573694994 /nfs/dbraw/zinc/69/49/94/573694994.db2.gz LPMGXAIEIKOWPC-UWVGGRQHSA-N 2 1 196.294 0.507 10 0 ACAEMP CCNC(=[NH2+])N1CC[N@H+]2CCC[C@@H]2C1 86932847 573696777 /nfs/dbraw/zinc/69/67/77/573696777.db2.gz QJIXJSXJJQBCLT-SECBINFHSA-N 2 1 196.298 0.311 10 0 ACAEMP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(N)=[NH2+] 86930119 573696170 /nfs/dbraw/zinc/69/61/70/573696170.db2.gz VFKPZRNODQQDAZ-DTWKUNHWSA-N 2 1 196.298 0.438 10 0 ACAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(N)=[NH2+] 86930119 573696174 /nfs/dbraw/zinc/69/61/74/573696174.db2.gz VFKPZRNODQQDAZ-DTWKUNHWSA-N 2 1 196.298 0.438 10 0 ACAEMP CC[C@H](C[NH3+])N1CC[N@H+]2CCC[C@@H]2C1 86931887 573696207 /nfs/dbraw/zinc/69/62/07/573696207.db2.gz JMYARVIDSLNLJW-GHMZBOCLSA-N 2 1 197.326 0.504 10 0 ACAEMP CNC(=[NH2+])N1CC[N@@H+]2CCCC[C@@H]2C1 86930100 573696221 /nfs/dbraw/zinc/69/62/21/573696221.db2.gz DAKYKTUVNXBJAD-SECBINFHSA-N 2 1 196.298 0.311 10 0 ACAEMP CNC(=[NH2+])N1CC[N@H+]2CCCC[C@@H]2C1 86930100 573696225 /nfs/dbraw/zinc/69/62/25/573696225.db2.gz DAKYKTUVNXBJAD-SECBINFHSA-N 2 1 196.298 0.311 10 0 ACAEMP C[C@@H](C(N)=[NH2+])N1CC[N@H+]2CCC[C@@H]2C1 86932653 573696237 /nfs/dbraw/zinc/69/62/37/573696237.db2.gz QASJUHDJJFNTDY-DTWKUNHWSA-N 2 1 196.298 0.091 10 0 ACAEMP NC(=[NH2+])CCN1CC[N@H+]2CCC[C@@H]2C1 86932657 573696248 /nfs/dbraw/zinc/69/62/48/573696248.db2.gz FWIYWPJPXUFRQG-SECBINFHSA-N 2 1 196.298 0.092 10 0 ACAEMP CCC[C@H](O)C[NH2+]CC(C)(C)[NH2+]C 393551569 573696306 /nfs/dbraw/zinc/69/63/06/573696306.db2.gz GREXWLPVWVDZEK-VIFPVBQESA-N 2 1 188.315 0.735 10 0 ACAEMP C[C@H]([NH3+])CCN1CC[N@H+]2CCC[C@@H]2C1 86932333 573696323 /nfs/dbraw/zinc/69/63/23/573696323.db2.gz HSCGKDMBGQRTLC-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP C[C@@H](C[NH3+])N1CC[N@H+]2CCCC[C@@H]2C1 86929758 573696745 /nfs/dbraw/zinc/69/67/45/573696745.db2.gz QXHPVJIYVUDRQO-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP OC[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C1 236504959 573702522 /nfs/dbraw/zinc/70/25/22/573702522.db2.gz ZPERIVOUPFFDMC-ZJUUUORDSA-N 2 1 184.283 0.053 10 0 ACAEMP OC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)C1 236504959 573702523 /nfs/dbraw/zinc/70/25/23/573702523.db2.gz ZPERIVOUPFFDMC-ZJUUUORDSA-N 2 1 184.283 0.053 10 0 ACAEMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CS1 86937562 573702737 /nfs/dbraw/zinc/70/27/37/573702737.db2.gz GZKJNNMPUDUDIM-HRDYMLBCSA-N 2 1 186.324 0.913 10 0 ACAEMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CS1 86937562 573702742 /nfs/dbraw/zinc/70/27/42/573702742.db2.gz GZKJNNMPUDUDIM-HRDYMLBCSA-N 2 1 186.324 0.913 10 0 ACAEMP CC[NH2+][C@@]1(C[NH3+])CS[C@H](C)C1 86936780 573702928 /nfs/dbraw/zinc/70/29/28/573702928.db2.gz HRUWMDSWGCMJKO-SFYZADRCSA-N 2 1 174.313 0.819 10 0 ACAEMP C[N@H+](CCN)CCC1CC1 83926196 573703595 /nfs/dbraw/zinc/70/35/95/573703595.db2.gz HDLCOQBQAXXXNR-UHFFFAOYSA-N 2 1 142.246 0.677 10 0 ACAEMP C[N@H+](CC[NH3+])CCC1CC1 83926196 573703606 /nfs/dbraw/zinc/70/36/06/573703606.db2.gz HDLCOQBQAXXXNR-UHFFFAOYSA-N 2 1 142.246 0.677 10 0 ACAEMP C[N@@H+](CC[NH3+])CCC1CC1 83926196 573703611 /nfs/dbraw/zinc/70/36/11/573703611.db2.gz HDLCOQBQAXXXNR-UHFFFAOYSA-N 2 1 142.246 0.677 10 0 ACAEMP C[C@@H]1C[C@H]([NH2+]CC[NH3+])CS1 86935248 573703719 /nfs/dbraw/zinc/70/37/19/573703719.db2.gz XWZVFGWEJRKVBG-RQJHMYQMSA-N 2 1 160.286 0.429 10 0 ACAEMP C[C@@H]1C[C@@](C[NH3+])([NH2+]C2CC2)CS1 86936790 573704073 /nfs/dbraw/zinc/70/40/73/573704073.db2.gz PSLNAWWMRYLXGT-APPZFPTMSA-N 2 1 186.324 0.961 10 0 ACAEMP C[C@@H]1C[C@](C[NH3+])([NH2+]C2CC2)CS1 86936792 573706167 /nfs/dbraw/zinc/70/61/67/573706167.db2.gz PSLNAWWMRYLXGT-VXNVDRBHSA-N 2 1 186.324 0.961 10 0 ACAEMP CCCN(C)[C@@]1(C[NH3+])C[C@H](C)[N@@H+](C)C1 126871339 573706384 /nfs/dbraw/zinc/70/63/84/573706384.db2.gz KHBLVMCSCJIJMH-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP C[NH2+][C@@]1(C[NH3+])CS[C@H](C)C1 86936774 573706404 /nfs/dbraw/zinc/70/64/04/573706404.db2.gz UNMXDHHUJHQKNM-RQJHMYQMSA-N 2 1 160.286 0.429 10 0 ACAEMP C[N@H+]1CC[C@H](CNCC2(C[NH3+])CC2)C1 258888487 573706501 /nfs/dbraw/zinc/70/65/01/573706501.db2.gz JSTHHDGIQHGRJL-SNVBAGLBSA-N 2 1 197.326 0.267 10 0 ACAEMP C[N@@H+]1CC[C@H](C[NH2+]CC2(C[NH3+])CC2)C1 258888487 573706504 /nfs/dbraw/zinc/70/65/04/573706504.db2.gz JSTHHDGIQHGRJL-SNVBAGLBSA-N 3 1 197.326 0.267 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH2+]CC2(C[NH3+])CC2)C1 258888487 573706511 /nfs/dbraw/zinc/70/65/11/573706511.db2.gz JSTHHDGIQHGRJL-SNVBAGLBSA-N 3 1 197.326 0.267 10 0 ACAEMP C[C@@H]1SCCC[C@H]1[NH2+]CC[NH3+] 86943852 573710721 /nfs/dbraw/zinc/71/07/21/573710721.db2.gz GNEDVQASANPQKF-JGVFFNPUSA-N 2 1 174.313 0.819 10 0 ACAEMP C[C@H]1SCCC[C@H]1[NH2+]CC[NH3+] 86943850 573710966 /nfs/dbraw/zinc/71/09/66/573710966.db2.gz GNEDVQASANPQKF-HTQZYQBOSA-N 2 1 174.313 0.819 10 0 ACAEMP CC[N@@H+]1CC[C@H]([C@@H]2[NH2+]CCCO2)C1 258095123 573711102 /nfs/dbraw/zinc/71/11/02/573711102.db2.gz KEKOZZCLTPKSMU-VHSXEESVSA-N 2 1 184.283 0.664 10 0 ACAEMP CC[N@H+]1CC[C@H]([C@@H]2[NH2+]CCCO2)C1 258095123 573711107 /nfs/dbraw/zinc/71/11/07/573711107.db2.gz KEKOZZCLTPKSMU-VHSXEESVSA-N 2 1 184.283 0.664 10 0 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393556560 573728131 /nfs/dbraw/zinc/72/81/31/573728131.db2.gz OYZUHZZARAKUOR-GUBZILKMSA-N 2 1 186.299 0.690 10 0 ACAEMP C[N@@H+]1CC[C@H](Cc2noc(C[NH3+])n2)C1 258108209 573728394 /nfs/dbraw/zinc/72/83/94/573728394.db2.gz SLWPGXHYOYYJGO-SSDOTTSWSA-N 2 1 196.254 0.023 10 0 ACAEMP C[N@H+]1CC[C@H](Cc2noc(C[NH3+])n2)C1 258108209 573728400 /nfs/dbraw/zinc/72/84/00/573728400.db2.gz SLWPGXHYOYYJGO-SSDOTTSWSA-N 2 1 196.254 0.023 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C/C=C/CO 717547190 573730589 /nfs/dbraw/zinc/73/05/89/573730589.db2.gz JYNONXUPPUVQET-YHROSDCASA-N 2 1 198.310 0.465 10 0 ACAEMP C[C@H]([NH3+])c1cnn([C@H]2CC[N@@H+](C)C2)c1 257851925 573730753 /nfs/dbraw/zinc/73/07/53/573730753.db2.gz PEZZDDUNQOUTHN-WPRPVWTQSA-N 2 1 194.282 0.779 10 0 ACAEMP [NH3+]C1CC(C[N@@H+]2C[C@H](F)[C@H](F)C2)C1 714735019 573730824 /nfs/dbraw/zinc/73/08/24/573730824.db2.gz NDTDLTQRHCEVAD-WZENYGAOSA-N 2 1 190.237 0.716 10 0 ACAEMP [NH3+]C1CC(C[N@H+]2C[C@H](F)[C@H](F)C2)C1 714735019 573730827 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DZRZGRWTNCLRFF-MRVPVSSYSA-N 2 1 195.266 0.628 10 0 ACAEMP CC[C@H](C[NH3+])[C@H](NC)[C@@H]1CC[N@@H+](C)C1 259179346 573774810 /nfs/dbraw/zinc/77/48/10/573774810.db2.gz JSVGZOPKJMYNEC-MXWKQRLJSA-N 2 1 199.342 0.511 10 0 ACAEMP CC[C@H](C[NH3+])[C@H]([NH2+]C)[C@@H]1CC[N@H+](C)C1 259179346 573774815 /nfs/dbraw/zinc/77/48/15/573774815.db2.gz JSVGZOPKJMYNEC-MXWKQRLJSA-N 3 1 199.342 0.511 10 0 ACAEMP CC[C@H](C[NH3+])[C@H]([NH2+]C)[C@@H]1CC[N@@H+](C)C1 259179346 573774821 /nfs/dbraw/zinc/77/48/21/573774821.db2.gz JSVGZOPKJMYNEC-MXWKQRLJSA-N 3 1 199.342 0.511 10 0 ACAEMP C[C@H](C[NH3+])Cc1[nH+]ccn1C 84128283 573776302 /nfs/dbraw/zinc/77/63/02/573776302.db2.gz WBLZZIGDPGYDMK-ZETCQYMHSA-N 2 1 153.229 0.557 10 0 ACAEMP CC(C)[C@H](C[NH3+])N(C)[C@H]1CC[N@@H+](C)C1 258941296 573776523 /nfs/dbraw/zinc/77/65/23/573776523.db2.gz WEGNTVNKWZLGEV-QWRGUYRKSA-N 2 1 199.342 0.606 10 0 ACAEMP CC(C)[C@H](C[NH3+])N(C)[C@@H]1CC[N@@H+](C)C1 258941295 573776888 /nfs/dbraw/zinc/77/68/88/573776888.db2.gz WEGNTVNKWZLGEV-MNOVXSKESA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@@H](C[NH3+])O[C@H]1CC[N@@H+](C)C1 108367023 573776996 /nfs/dbraw/zinc/77/69/96/573776996.db2.gz TXGUNILWGGZGQM-YUMQZZPRSA-N 2 1 158.245 0.054 10 0 ACAEMP C[C@H]([NH3+])CO[C@H]1CC[N@@H+](C)C1 108366956 573778828 /nfs/dbraw/zinc/77/88/28/573778828.db2.gz APJKVZPPOWLBNB-YUMQZZPRSA-N 2 1 158.245 0.054 10 0 ACAEMP C[C@@H](C[NH3+])Cc1[nH+]ccn1C 84128284 573778867 /nfs/dbraw/zinc/77/88/67/573778867.db2.gz WBLZZIGDPGYDMK-SSDOTTSWSA-N 2 1 153.229 0.557 10 0 ACAEMP C[C@@H](C[NH3+])O[C@@H]1CC[N@@H+](C)C1 108367014 573778930 /nfs/dbraw/zinc/77/89/30/573778930.db2.gz TXGUNILWGGZGQM-JGVFFNPUSA-N 2 1 158.245 0.054 10 0 ACAEMP Oc1ccc2c[nH+]c(C3C[NH2+]C3)n2c1 257877193 573781138 /nfs/dbraw/zinc/78/11/38/573781138.db2.gz URYWLKMHIFZBRG-UHFFFAOYSA-N 2 1 189.218 0.727 10 0 ACAEMP C[N@H+]1CC[C@H](NCC2(C[NH3+])CCC2)C1 258939949 573781271 /nfs/dbraw/zinc/78/12/71/573781271.db2.gz PPQYRTULHBATRJ-JTQLQIEISA-N 2 1 197.326 0.409 10 0 ACAEMP CN1CC[C@H]([NH2+]CC2(C[NH3+])CCC2)C1 258939949 573781280 /nfs/dbraw/zinc/78/12/80/573781280.db2.gz PPQYRTULHBATRJ-JTQLQIEISA-N 2 1 197.326 0.409 10 0 ACAEMP C[NH2+]CC(C)(C)N(C)[C@H]1CC[N@@H+](C)C1 258938025 573781369 /nfs/dbraw/zinc/78/13/69/573781369.db2.gz VXPFLCZOROHHIN-JTQLQIEISA-N 2 1 199.342 0.620 10 0 ACAEMP C[N@H+]1CCN[C@@H](CC[NH2+]C2CCC2)C1 258938125 573780997 /nfs/dbraw/zinc/78/09/97/573780997.db2.gz PHAOIIJLCOHWIQ-NSHDSACASA-N 2 1 197.326 0.422 10 0 ACAEMP CC[N@@H+]1CC2CC(C2)[C@@H]1C[NH3+] 258514769 573783577 /nfs/dbraw/zinc/78/35/77/573783577.db2.gz LRSUJGKLNXOYFE-HACHORDNSA-N 2 1 154.257 0.675 10 0 ACAEMP CC[N@H+]1CC2CC(C2)[C@@H]1C[NH3+] 258514769 573783582 /nfs/dbraw/zinc/78/35/82/573783582.db2.gz LRSUJGKLNXOYFE-HACHORDNSA-N 2 1 154.257 0.675 10 0 ACAEMP C[NH+]1CC[C@H](CC[N@@H+](C)CO)C1 258948015 573783721 /nfs/dbraw/zinc/78/37/21/573783721.db2.gz RDPXHZTWQIVHEO-SECBINFHSA-N 2 1 172.272 0.210 10 0 ACAEMP C[C@H](O)[C@@H](C)[N@H+]1CCC[NH2+]CC1 87124529 573783725 /nfs/dbraw/zinc/78/37/25/573783725.db2.gz WBFJJOWOULDZPS-BDAKNGLRSA-N 2 1 172.272 0.051 10 0 ACAEMP C[NH+](CO)CC[C@H]1CC[N@H+](C)C1 258948015 573783726 /nfs/dbraw/zinc/78/37/26/573783726.db2.gz RDPXHZTWQIVHEO-SECBINFHSA-N 2 1 172.272 0.210 10 0 ACAEMP C[NH+](CO)CC[C@H]1CC[N@@H+](C)C1 258948015 573783731 /nfs/dbraw/zinc/78/37/31/573783731.db2.gz RDPXHZTWQIVHEO-SECBINFHSA-N 2 1 172.272 0.210 10 0 ACAEMP [NH3+][C@H](CO)C[NH2+]C1CCCCCC1 258947849 573783782 /nfs/dbraw/zinc/78/37/82/573783782.db2.gz LKGJUAFJHBDMOX-VIFPVBQESA-N 2 1 186.299 0.618 10 0 ACAEMP C[N@@H+](CCCO)C[C@]1(C)CC[NH2+]C1 308740845 573786356 /nfs/dbraw/zinc/78/63/56/573786356.db2.gz OQXDBKHMMKGMBT-SNVBAGLBSA-N 2 1 186.299 0.300 10 0 ACAEMP CC[N@@H+]1CC2CC(C2)[C@H]1C[NH3+] 258514758 573786558 /nfs/dbraw/zinc/78/65/58/573786558.db2.gz LRSUJGKLNXOYFE-AMDVSUOASA-N 2 1 154.257 0.675 10 0 ACAEMP CC[N@H+]1CC2CC(C2)[C@H]1C[NH3+] 258514758 573786562 /nfs/dbraw/zinc/78/65/62/573786562.db2.gz LRSUJGKLNXOYFE-AMDVSUOASA-N 2 1 154.257 0.675 10 0 ACAEMP C[C@@H](O)[C@@H](C)[N@H+]1CCC[NH2+]CC1 87124523 573786742 /nfs/dbraw/zinc/78/67/42/573786742.db2.gz WBFJJOWOULDZPS-RKDXNWHRSA-N 2 1 172.272 0.051 10 0 ACAEMP CC[N@H+](C/C=C\C[NH3+])[C@@H](C)CN(C)C 308436772 573786788 /nfs/dbraw/zinc/78/67/88/573786788.db2.gz QLIMGTXVSYZJQL-ZADCQDASSA-N 2 1 199.342 0.773 10 0 ACAEMP CC[N@@H+](C/C=C\C[NH3+])[C@@H](C)CN(C)C 308436772 573786790 /nfs/dbraw/zinc/78/67/90/573786790.db2.gz QLIMGTXVSYZJQL-ZADCQDASSA-N 2 1 199.342 0.773 10 0 ACAEMP CC[C@@H](C)[N@@H+](CCO)C(C)(C)C[NH3+] 393589961 573792590 /nfs/dbraw/zinc/79/25/90/573792590.db2.gz LGSSKBYCXWIFEB-SECBINFHSA-N 2 1 188.315 0.817 10 0 ACAEMP CN(C[C@H](N)C[NH3+])c1cccs1 258944771 573792601 /nfs/dbraw/zinc/79/26/01/573792601.db2.gz KDOCOISVPPAPKW-SSDOTTSWSA-N 2 1 185.296 0.470 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH2+]C(C)(C)CO)C1 258949083 573792723 /nfs/dbraw/zinc/79/27/23/573792723.db2.gz WVMSZZKXDCRKRN-SECBINFHSA-N 2 1 186.299 0.299 10 0 ACAEMP CCCC[N@H+]1CCN[C@@H](C[NH3+])C1 259185691 573793632 /nfs/dbraw/zinc/79/36/32/573793632.db2.gz HTIULADMRYLGEN-VIFPVBQESA-N 2 1 171.288 0.019 10 0 ACAEMP C[N@H+]1CCC[C@@H](C(=O)C[NH2+]C2CC2)C1 259188400 573793761 /nfs/dbraw/zinc/79/37/61/573793761.db2.gz NQDCQIPPPKLDGW-SECBINFHSA-N 2 1 196.294 0.649 10 0 ACAEMP [NH3+]CCCC[N@H+]1CCO[C@H]2CCC[C@H]21 43424311 573793843 /nfs/dbraw/zinc/79/38/43/573793843.db2.gz DZJHGXAQQDFAKG-MNOVXSKESA-N 2 1 198.310 0.979 10 0 ACAEMP C[C@@H]([NH3+])[C@H](C)Cc1[nH+]ccn1C 87147071 573794050 /nfs/dbraw/zinc/79/40/50/573794050.db2.gz LEJHYTXBURELBX-HTQZYQBOSA-N 2 1 167.256 0.946 10 0 ACAEMP COC[NH2+]CC[C@@H]1CC[N@@H+](C)C1 259188669 573798866 /nfs/dbraw/zinc/79/88/66/573798866.db2.gz VOBXHURLDYAXFI-SECBINFHSA-N 2 1 172.272 0.522 10 0 ACAEMP C[C@@H](Cc1[nH+]ccn1C)[C@@H](C)[NH3+] 87147069 573798926 /nfs/dbraw/zinc/79/89/26/573798926.db2.gz LEJHYTXBURELBX-JGVFFNPUSA-N 2 1 167.256 0.946 10 0 ACAEMP C[C@H](O)[C@H](C)[N@@H+](C)C1CC[NH2+]CC1 87140367 573799098 /nfs/dbraw/zinc/79/90/98/573799098.db2.gz SNJBSSOUGCNAOF-IUCAKERBSA-N 2 1 186.299 0.440 10 0 ACAEMP COC[NH2+]CC[C@H]1CC[N@@H+](C)C1 259188671 573799873 /nfs/dbraw/zinc/79/98/73/573799873.db2.gz VOBXHURLDYAXFI-VIFPVBQESA-N 2 1 172.272 0.522 10 0 ACAEMP CCC(CC)[NH2+][C@@H]1C[C@H]1[NH3+] 87156799 573799969 /nfs/dbraw/zinc/79/99/69/573799969.db2.gz OXMOTYCCBLBHGL-HTQZYQBOSA-N 2 1 142.246 0.864 10 0 ACAEMP C[N@H+](C1CCC1)[C@H](CN)[C@@H]1CCCO1 127226572 573799987 /nfs/dbraw/zinc/79/99/87/573799987.db2.gz KTEOADDLHSTHSV-MNOVXSKESA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 84220621 573800260 /nfs/dbraw/zinc/80/02/60/573800260.db2.gz FKVIRNROPRYHPZ-OUAUKWLOSA-N 2 1 197.326 0.408 10 0 ACAEMP CC[NH2+]C[C@H](NC)[C@@H]1CC[N@@H+](C)C1 259571873 573800420 /nfs/dbraw/zinc/80/04/20/573800420.db2.gz WTABKPCPWWOHCO-ZJUUUORDSA-N 2 1 185.315 0.136 10 0 ACAEMP CC[NH2+]C[C@@H](NC)[C@H]1CC[N@@H+](C)C1 259571870 573801064 /nfs/dbraw/zinc/80/10/64/573801064.db2.gz WTABKPCPWWOHCO-VHSXEESVSA-N 2 1 185.315 0.136 10 0 ACAEMP CC[C@H](C[NH3+])C(=O)[C@H]1CCC[N@@H+](C)C1 259191753 573801133 /nfs/dbraw/zinc/80/11/33/573801133.db2.gz RETKATRCPGEHFE-ZJUUUORDSA-N 2 1 198.310 0.882 10 0 ACAEMP OCCC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 43444182 573801277 /nfs/dbraw/zinc/80/12/77/573801277.db2.gz PUHRSLHLVOWLTB-SNVBAGLBSA-N 2 1 198.310 0.443 10 0 ACAEMP C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 84248193 573801374 /nfs/dbraw/zinc/80/13/74/573801374.db2.gz MUFSVXMAMFSAOG-YUMQZZPRSA-N 2 1 154.257 0.546 10 0 ACAEMP C[NH2+]C1CC[NH+](CCCO)CC1 43443851 573801514 /nfs/dbraw/zinc/80/15/14/573801514.db2.gz KSJSBASSKFZTGJ-UHFFFAOYSA-N 2 1 172.272 0.053 10 0 ACAEMP C[N@@H+]1CCC[C@]2(C[NH2+]CC[C@@H](O)C2)C1 84234471 573802306 /nfs/dbraw/zinc/80/23/06/573802306.db2.gz BRPPOLXNWSZCSK-MNOVXSKESA-N 2 1 198.310 0.443 10 0 ACAEMP C[N@H+]1CCC[C@]2(C[NH2+]CC[C@@H](O)C2)C1 84234471 573802312 /nfs/dbraw/zinc/80/23/12/573802312.db2.gz BRPPOLXNWSZCSK-MNOVXSKESA-N 2 1 198.310 0.443 10 0 ACAEMP C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2C1(C)C 84248192 573802327 /nfs/dbraw/zinc/80/23/27/573802327.db2.gz MUFSVXMAMFSAOG-JGVFFNPUSA-N 2 1 154.257 0.546 10 0 ACAEMP COCC[N@H+]1CC[C@H](C[NH3+])[C@H]1C 259571232 573802352 /nfs/dbraw/zinc/80/23/52/573802352.db2.gz YPZPIYKERWDPFK-RKDXNWHRSA-N 2 1 172.272 0.302 10 0 ACAEMP [NH3+][C@@H]1CCCc2c[nH+]c(CCCO)n21 258133748 573802396 /nfs/dbraw/zinc/80/23/96/573802396.db2.gz HAVRDHPZXPSEGD-VIFPVBQESA-N 2 1 195.266 0.602 10 0 ACAEMP C[C@H]1C[N@@H+](CCCO)CCC[NH2+]1 258132154 573802484 /nfs/dbraw/zinc/80/24/84/573802484.db2.gz MGKCNKMFJQLHOY-VIFPVBQESA-N 2 1 172.272 0.053 10 0 ACAEMP COCC[N@H+]1CCCC[NH2+][C@H](C)C1 259571153 573802498 /nfs/dbraw/zinc/80/24/98/573802498.db2.gz YOZKWIALFVVELY-SNVBAGLBSA-N 2 1 186.299 0.707 10 0 ACAEMP C[N@H+]1CC[C@@]2(C[NH2+]CC[C@@H](O)C2)C1 84234483 573802507 /nfs/dbraw/zinc/80/25/07/573802507.db2.gz JIIYPJDGSBFTJY-NXEZZACHSA-N 2 1 184.283 0.053 10 0 ACAEMP COCC[N@H+]1CC[C@@H](C[NH3+])[C@H]1C 259571226 573803788 /nfs/dbraw/zinc/80/37/88/573803788.db2.gz YPZPIYKERWDPFK-BDAKNGLRSA-N 2 1 172.272 0.302 10 0 ACAEMP CCC(CC)[NH2+][C@H]1C[C@H]1[NH3+] 87156801 573803066 /nfs/dbraw/zinc/80/30/66/573803066.db2.gz OXMOTYCCBLBHGL-SFYZADRCSA-N 2 1 142.246 0.864 10 0 ACAEMP F[C@@H]1CCC[NH2+]C12CC[NH2+]CC2 258141855 573803089 /nfs/dbraw/zinc/80/30/89/573803089.db2.gz RBUWWBKLFSPZPM-MRVPVSSYSA-N 2 1 172.247 0.830 10 0 ACAEMP OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]12 43444273 573803625 /nfs/dbraw/zinc/80/36/25/573803625.db2.gz UVLUDZSYOAATQN-UWVGGRQHSA-N 2 1 184.283 0.195 10 0 ACAEMP OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]12 43444273 573803631 /nfs/dbraw/zinc/80/36/31/573803631.db2.gz UVLUDZSYOAATQN-UWVGGRQHSA-N 2 1 184.283 0.195 10 0 ACAEMP C[N@@H+]1CCC[C@H]1c1coc(CC[NH3+])n1 258134255 573803735 /nfs/dbraw/zinc/80/37/35/573803735.db2.gz QNKAIHNSDHOZIU-VIFPVBQESA-N 2 1 195.266 0.943 10 0 ACAEMP C[N@H+]1CCC[C@H]1c1coc(CC[NH3+])n1 258134255 573803738 /nfs/dbraw/zinc/80/37/38/573803738.db2.gz QNKAIHNSDHOZIU-VIFPVBQESA-N 2 1 195.266 0.943 10 0 ACAEMP 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BSWGMJHIJGULKB-YVNMAJEFSA-N 2 1 198.310 0.571 10 0 ACAEMP C[NH+]1CCC([C@]2(O)CC[N@H+](C)C2)CC1 84362343 573857764 /nfs/dbraw/zinc/85/77/64/573857764.db2.gz NCYJCMQTCCRXNM-NSHDSACASA-N 2 1 198.310 0.395 10 0 ACAEMP COCCc1[nH+]cc2n1CC[C@H]([NH3+])C2 258156785 573857204 /nfs/dbraw/zinc/85/72/04/573857204.db2.gz IBILJCOCSMHEON-QMMMGPOBSA-N 2 1 195.266 0.346 10 0 ACAEMP Cc1oc(CN)nc1[C@H]1CC[N@H+](C)C1 258163795 573857654 /nfs/dbraw/zinc/85/76/54/573857654.db2.gz SZGVNYJOCDIWOR-QMMMGPOBSA-N 2 1 195.266 0.861 10 0 ACAEMP Cc1oc(C[NH3+])nc1[C@H]1CC[N@@H+](C)C1 258163795 573857662 /nfs/dbraw/zinc/85/76/62/573857662.db2.gz SZGVNYJOCDIWOR-QMMMGPOBSA-N 2 1 195.266 0.861 10 0 ACAEMP CC(C)C1([NH3+])CN(c2[nH+]ccn2C)C1 84375990 573860051 /nfs/dbraw/zinc/86/00/51/573860051.db2.gz AQEQWUMLNPHEAL-UHFFFAOYSA-N 2 1 194.282 0.594 10 0 ACAEMP CC[C@H]([NH2+]C)[C@H]1CC[N@@H+](C)C1 84329101 573861098 /nfs/dbraw/zinc/86/10/98/573861098.db2.gz XIVMHCAWCLKNQK-IUCAKERBSA-N 2 1 156.273 0.936 10 0 ACAEMP C[NH2+]C1(C[NH2+]C2CC(OC)C2)CCC1 308458056 573861385 /nfs/dbraw/zinc/86/13/85/573861385.db2.gz CEEIRWSRHVRFIX-UHFFFAOYSA-N 2 1 198.310 0.896 10 0 ACAEMP CCN(CC)[C@@H](C[NH3+])[C@H]1CCC[N@H+]1C 214992236 573864190 /nfs/dbraw/zinc/86/41/90/573864190.db2.gz WXIPNGCWIXKUJG-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP C[NH2+]C[C@@H](C1CC[NH+](C)CC1)[NH+](C)C 258975530 573864314 /nfs/dbraw/zinc/86/43/14/573864314.db2.gz DNPAZZUKIMGJJO-NSHDSACASA-N 3 1 199.342 0.478 10 0 ACAEMP CC[N@@H+](C)CC[C@H]1CC[NH2+]C1 84384630 573864349 /nfs/dbraw/zinc/86/43/49/573864349.db2.gz STNRHLHPBGYQDL-SECBINFHSA-N 2 1 156.273 0.938 10 0 ACAEMP [NH3+]C[C@H]([NH2+]C1CCC1)C1CC1 258440759 573864529 /nfs/dbraw/zinc/86/45/29/573864529.db2.gz DZCNXWVODIZYCM-VIFPVBQESA-N 2 1 154.257 0.866 10 0 ACAEMP C[C@H](NCC[NH+]1CC=CC1)C1C[NH2+]C1 686251160 573864633 /nfs/dbraw/zinc/86/46/33/573864633.db2.gz UQTQBAXFAATWFL-JTQLQIEISA-N 2 1 195.310 0.056 10 0 ACAEMP CC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384627 573864664 /nfs/dbraw/zinc/86/46/64/573864664.db2.gz STNRHLHPBGYQDL-VIFPVBQESA-N 2 1 156.273 0.938 10 0 ACAEMP COCC[NH2+]C[C@@]1(C)CCCC[NH2+]1 127390156 573871337 /nfs/dbraw/zinc/87/13/37/573871337.db2.gz OAMKYVUTOXHXBW-SNVBAGLBSA-N 2 1 186.299 0.755 10 0 ACAEMP CC[NH2+][C@@H](C)CC[N@H+](C)CCOC 43916114 573872223 /nfs/dbraw/zinc/87/22/23/573872223.db2.gz IUHWRPFXQFDKMG-JTQLQIEISA-N 2 1 188.315 0.953 10 0 ACAEMP CC[NH2+][C@@H](C)CC[N@@H+](C)CCOC 43916114 573872229 /nfs/dbraw/zinc/87/22/29/573872229.db2.gz IUHWRPFXQFDKMG-JTQLQIEISA-N 2 1 188.315 0.953 10 0 ACAEMP COC[C@@H](C)[N@@H+]1CCC[C@H]1C[NH3+] 238367371 573872261 /nfs/dbraw/zinc/87/22/61/573872261.db2.gz MLGNKXBWMWEOSD-BDAKNGLRSA-N 2 1 172.272 0.444 10 0 ACAEMP C[NH2+][C@H](C)CC[N@H+](C)CCOC 43915613 573872266 /nfs/dbraw/zinc/87/22/66/573872266.db2.gz GLFSZQGXJZZTQI-SECBINFHSA-N 2 1 174.288 0.563 10 0 ACAEMP C[NH2+][C@H](C)CC[N@@H+](C)CCOC 43915613 573872268 /nfs/dbraw/zinc/87/22/68/573872268.db2.gz GLFSZQGXJZZTQI-SECBINFHSA-N 2 1 174.288 0.563 10 0 ACAEMP COC[C@@H](C)[N@H+]1CCC[C@H]1C[NH3+] 238367371 573872275 /nfs/dbraw/zinc/87/22/75/573872275.db2.gz MLGNKXBWMWEOSD-BDAKNGLRSA-N 2 1 172.272 0.444 10 0 ACAEMP COCC[NH2+]C[C@]1(C)CCCC[NH2+]1 127390383 573872367 /nfs/dbraw/zinc/87/23/67/573872367.db2.gz OAMKYVUTOXHXBW-JTQLQIEISA-N 2 1 186.299 0.755 10 0 ACAEMP CC(C)[C@H]([NH3+])C[NH+]1CCC(O)CC1 238164296 573872453 /nfs/dbraw/zinc/87/24/53/573872453.db2.gz YIXOAYJXIOZEOD-SNVBAGLBSA-N 2 1 186.299 0.426 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@H](N)C2([NH3+])CC2)C1 259624550 573872640 /nfs/dbraw/zinc/87/26/40/573872640.db2.gz YBNIYHBRSFSMAT-BDAKNGLRSA-N 2 1 183.299 0.147 10 0 ACAEMP CN(CO)C[C@@H]1CCC[N@@H+](C)C1 258978210 573872703 /nfs/dbraw/zinc/87/27/03/573872703.db2.gz WEGSSALPDNZZAG-SECBINFHSA-N 2 1 172.272 0.210 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H](N)C2([NH3+])CC2)C1 259624551 573872797 /nfs/dbraw/zinc/87/27/97/573872797.db2.gz YBNIYHBRSFSMAT-DTWKUNHWSA-N 2 1 183.299 0.147 10 0 ACAEMP C[NH+]1CCC([C@@]2(C)C[NH2+]CCN2)CC1 258978730 573872868 /nfs/dbraw/zinc/87/28/68/573872868.db2.gz DSYLTVBPYJJPPY-LLVKDONJSA-N 2 1 197.326 0.280 10 0 ACAEMP C[NH2+]CCCN(C)[C@@H]1C[C@@H](C)[N@@H+](C)C1 127390757 573872885 /nfs/dbraw/zinc/87/28/85/573872885.db2.gz VALAETKWVVIKOJ-GHMZBOCLSA-N 2 1 199.342 0.620 10 0 ACAEMP C[NH2+]C(C)(C)CNC[C@@H]1CC[N@@H+](C)C1 258978667 573873926 /nfs/dbraw/zinc/87/39/26/573873926.db2.gz XUSLZTRULKQTJR-JTQLQIEISA-N 2 1 199.342 0.526 10 0 ACAEMP C[NH2+][C@H](c1ccc[nH]1)N1CC[NH2+]CC1 259215005 573873973 /nfs/dbraw/zinc/87/39/73/573873973.db2.gz FWROSADJPUPVIR-JTQLQIEISA-N 2 1 194.282 0.138 10 0 ACAEMP C[NH2+]CCCN(C)[C@H]1C[C@@H](C)[N@@H+](C)C1 127390312 573873996 /nfs/dbraw/zinc/87/39/96/573873996.db2.gz VALAETKWVVIKOJ-MNOVXSKESA-N 2 1 199.342 0.620 10 0 ACAEMP C[NH+]1CCC([C@]2(C)C[NH2+]CCN2)CC1 258978735 573874429 /nfs/dbraw/zinc/87/44/29/573874429.db2.gz DSYLTVBPYJJPPY-NSHDSACASA-N 2 1 197.326 0.280 10 0 ACAEMP C[N@H+]1CC[C@H](CC[NH2+]CCCO)C1 258978358 573874499 /nfs/dbraw/zinc/87/44/99/573874499.db2.gz KXUFCIKBUKUBCG-JTQLQIEISA-N 2 1 186.299 0.300 10 0 ACAEMP CN1CC[NH2+][C@@H](C[C@H]2CC[N@@H+](C)C2)C1 259215141 573874551 /nfs/dbraw/zinc/87/45/51/573874551.db2.gz TUWVLEAPPHHQPB-MNOVXSKESA-N 2 1 197.326 0.232 10 0 ACAEMP CC[N@@H+](CCOC)CC[C@H](C)[NH2+]C 43968578 573875211 /nfs/dbraw/zinc/87/52/11/573875211.db2.gz QFNAWYBLZZAPPU-JTQLQIEISA-N 2 1 188.315 0.953 10 0 ACAEMP C[C@]1(O)CC[N@@H+](C[C@@H]2CCC[C@@H]2[NH3+])C1 235757960 573875517 /nfs/dbraw/zinc/87/55/17/573875517.db2.gz UKAWIUUNBUSJMQ-DCAQKATOSA-N 2 1 198.310 0.571 10 0 ACAEMP C[N@H+]1CC[C@@H](C[NH2+]CCCC[NH3+])C1 258982721 573877188 /nfs/dbraw/zinc/87/71/88/573877188.db2.gz VCFCQUSKIGFRLI-JTQLQIEISA-N 3 1 185.315 0.267 10 0 ACAEMP CN1CC[C@@H](C[NH2+]CCCC[NH3+])C1 258982721 573877191 /nfs/dbraw/zinc/87/71/91/573877191.db2.gz VCFCQUSKIGFRLI-JTQLQIEISA-N 2 1 185.315 0.267 10 0 ACAEMP CN(CC1(C[NH3+])CC1)[C@H]1CC[N@@H+](C)C1 258980420 573877468 /nfs/dbraw/zinc/87/74/68/573877468.db2.gz UOGJTVHAIVVHJB-JTQLQIEISA-N 2 1 197.326 0.361 10 0 ACAEMP C[C@@H](CCO)[N@H+]1CCC[C@H](C[NH3+])C1 215004955 573877717 /nfs/dbraw/zinc/87/77/17/573877717.db2.gz KQBHRFJOAIWSHX-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP C[NH2+]C[C@@]1(OC)CCC[N@@H+](C)CC1 257892550 573879242 /nfs/dbraw/zinc/87/92/42/573879242.db2.gz NRHKHTNEIMBKJX-SNVBAGLBSA-N 2 1 186.299 0.707 10 0 ACAEMP CNC[NH2+]CC1CC[NH+](C)CC1 258980361 573879307 /nfs/dbraw/zinc/87/93/07/573879307.db2.gz XXWMKCSSRKILPC-UHFFFAOYSA-N 2 1 171.288 0.095 10 0 ACAEMP C[N@H+]1CC[C@@]2(C[C@@H]2[NH3+])C1 76571465 573879559 /nfs/dbraw/zinc/87/95/59/573879559.db2.gz LECHHXWINAQAMT-NKWVEPMBSA-N 2 1 126.203 0.039 10 0 ACAEMP CC[C@]1([NH3+])CCC[N@H+](C)C1 76575710 573879586 /nfs/dbraw/zinc/87/95/86/573879586.db2.gz GIURNIFAMNWHJF-QMMMGPOBSA-N 2 1 142.246 0.820 10 0 ACAEMP CC[C@]1([NH3+])CCC[N@@H+](C)C1 76575710 573879593 /nfs/dbraw/zinc/87/95/93/573879593.db2.gz GIURNIFAMNWHJF-QMMMGPOBSA-N 2 1 142.246 0.820 10 0 ACAEMP CC[N@H+]1CCC[C@@H](NC2C[NH2+]C2)C1 84418521 573879617 /nfs/dbraw/zinc/87/96/17/573879617.db2.gz TYPDEEBOYTVPMC-SECBINFHSA-N 2 1 183.299 0.032 10 0 ACAEMP C1CC[N@@H+]2CC[C@@H](NC3C[NH2+]C3)[C@@H]2C1 84417421 573879813 /nfs/dbraw/zinc/87/98/13/573879813.db2.gz XZMHLAAQEHSVNE-MNOVXSKESA-N 2 1 195.310 0.175 10 0 ACAEMP C[NH2+]C[C@]1(OC)CCC[N@@H+](C)CC1 257892549 573879890 /nfs/dbraw/zinc/87/98/90/573879890.db2.gz NRHKHTNEIMBKJX-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP CC(C)(C[NH3+])[NH2+]CCc1cccnc1 258981785 573880743 /nfs/dbraw/zinc/88/07/43/573880743.db2.gz ZYUCZEGREBAVHQ-UHFFFAOYSA-N 2 1 193.294 0.951 10 0 ACAEMP [NH3+]CC[C@@H]1COC[C@H]2CCCC[N@H+]12 238553260 573880778 /nfs/dbraw/zinc/88/07/78/573880778.db2.gz XSDWWGWWXOSLJW-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP [NH3+]CC[C@@H]1COC[C@H]2CCCC[N@@H+]12 238553260 573880786 /nfs/dbraw/zinc/88/07/86/573880786.db2.gz XSDWWGWWXOSLJW-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH2+]CCCC[NH3+])C1 258982723 573881029 /nfs/dbraw/zinc/88/10/29/573881029.db2.gz VCFCQUSKIGFRLI-SNVBAGLBSA-N 3 1 185.315 0.267 10 0 ACAEMP CN1CC[C@H](C[NH2+]CCCC[NH3+])C1 258982723 573881034 /nfs/dbraw/zinc/88/10/34/573881034.db2.gz VCFCQUSKIGFRLI-SNVBAGLBSA-N 2 1 185.315 0.267 10 0 ACAEMP C[N@H+]1CC[C@]2(C[C@@H]2[NH3+])C1 76571461 573881078 /nfs/dbraw/zinc/88/10/78/573881078.db2.gz LECHHXWINAQAMT-BQBZGAKWSA-N 2 1 126.203 0.039 10 0 ACAEMP C[NH2+][C@@H](c1cccnc1)[C@@H]1CC[NH2+]C1 259220222 573883335 /nfs/dbraw/zinc/88/33/35/573883335.db2.gz GBWHJMPQZXHKJL-MNOVXSKESA-N 2 1 191.278 0.952 10 0 ACAEMP C[N@H+]1CC[C@H](C2CC([NH3+])C2)C1 259219227 573883412 /nfs/dbraw/zinc/88/34/12/573883412.db2.gz LWXHEBBGCLOTBS-UEJVZZJDSA-N 2 1 154.257 0.675 10 0 ACAEMP C[C@@H](C[NH3+])CC[N@@H+](C)[C@@H]1CCN(C)C1 258984852 573883452 /nfs/dbraw/zinc/88/34/52/573883452.db2.gz VGGZTJOGIMZDRI-GHMZBOCLSA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@@H+]1CCC[C@H](c2coc(C[NH3+])n2)C1 258172027 573883550 /nfs/dbraw/zinc/88/35/50/573883550.db2.gz ULDHVOCPMLDCPC-QMMMGPOBSA-N 2 1 195.266 0.943 10 0 ACAEMP C[N@H+]1CCC[C@H](c2coc(C[NH3+])n2)C1 258172027 573883553 /nfs/dbraw/zinc/88/35/53/573883553.db2.gz ULDHVOCPMLDCPC-QMMMGPOBSA-N 2 1 195.266 0.943 10 0 ACAEMP CC[N@@H+]1CC=C(C[NH2+]C)CC1 258173300 573883628 /nfs/dbraw/zinc/88/36/28/573883628.db2.gz SHBJRFXPKDQIMP-UHFFFAOYSA-N 2 1 154.257 0.858 10 0 ACAEMP CC[NH+]1CC(n2cc(C[NH3+])cn2)C1 257893478 573885372 /nfs/dbraw/zinc/88/53/72/573885372.db2.gz NSHNFJSHNUEFLT-UHFFFAOYSA-N 2 1 180.255 0.218 10 0 ACAEMP C[C@H](C[NH3+])CC[N@@H+](C)[C@@H]1CCN(C)C1 258984861 573885374 /nfs/dbraw/zinc/88/53/74/573885374.db2.gz VGGZTJOGIMZDRI-WDEREUQCSA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(O)C2)C1 84421757 573885615 /nfs/dbraw/zinc/88/56/15/573885615.db2.gz NBJBVCQMTRCPMG-WHXUTIOJSA-N 2 1 198.310 0.441 10 0 ACAEMP C[NH2+]CC1([C@H]2CC[N@@H+](C)C2)COC1 259219158 573885701 /nfs/dbraw/zinc/88/57/01/573885701.db2.gz LSBKTVOQKJFTDZ-VIFPVBQESA-N 2 1 184.283 0.174 10 0 ACAEMP C[NH2+]CC1([C@@H]2CC[N@@H+](C)C2)COC1 259219153 573885715 /nfs/dbraw/zinc/88/57/15/573885715.db2.gz LSBKTVOQKJFTDZ-SECBINFHSA-N 2 1 184.283 0.174 10 0 ACAEMP CC1(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CCCO1 259219623 573885805 /nfs/dbraw/zinc/88/58/05/573885805.db2.gz CXDGBWFCLUNGRX-ZJUUUORDSA-N 2 1 198.310 0.977 10 0 ACAEMP CC1(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CCCO1 259219623 573885809 /nfs/dbraw/zinc/88/58/09/573885809.db2.gz CXDGBWFCLUNGRX-ZJUUUORDSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@H+]1CC[C@@H](NCC2(C[NH3+])CC2)C1 258987628 573889575 /nfs/dbraw/zinc/88/95/75/573889575.db2.gz VGKDBEADRYGBNZ-SECBINFHSA-N 2 1 183.299 0.019 10 0 ACAEMP CN1CC[C@@H]([NH2+]CC2(C[NH3+])CC2)C1 258987628 573889583 /nfs/dbraw/zinc/88/95/83/573889583.db2.gz VGKDBEADRYGBNZ-SECBINFHSA-N 2 1 183.299 0.019 10 0 ACAEMP CC[N@H+]1CCC[C@@H]([C@@H](C[NH3+])OC)C1 257894766 573889630 /nfs/dbraw/zinc/88/96/30/573889630.db2.gz NZVBRTVPBYZUJR-NXEZZACHSA-N 2 1 186.299 0.692 10 0 ACAEMP C[N@H+]1CCC[C@H]([NH2+]C2CC(O)C2)CC1 84442959 573889731 /nfs/dbraw/zinc/88/97/31/573889731.db2.gz QBYSSEXZCRTEPG-WHXUTIOJSA-N 2 1 198.310 0.584 10 0 ACAEMP C[N@@H+](C[C@H]1CC[C@H](C[NH3+])O1)C1CCC1 127516506 573889864 /nfs/dbraw/zinc/88/98/64/573889864.db2.gz KYLAXAIIPVSPOI-GHMZBOCLSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+](CCCN1CC[NH2+]CC1)C1CC1 259220868 573889919 /nfs/dbraw/zinc/88/99/19/573889919.db2.gz KIJXBCUPICWEIX-UHFFFAOYSA-N 2 1 197.326 0.376 10 0 ACAEMP C[C@@](C[NH3+])(C[C@H]1CCOC1)[NH2+]C1CC1 689864831 573889931 /nfs/dbraw/zinc/88/99/31/573889931.db2.gz MZIOAEAPSBUBDG-KOLCDFICSA-N 2 1 198.310 0.882 10 0 ACAEMP C[C@@](C[NH3+])(C[C@@H]1CCOC1)[NH2+]C1CC1 689864837 573889974 /nfs/dbraw/zinc/88/99/74/573889974.db2.gz MZIOAEAPSBUBDG-ONGXEEELSA-N 2 1 198.310 0.882 10 0 ACAEMP CC[N@H+]1CCC[C@@H]([C@H](C[NH3+])OC)C1 257894769 573893211 /nfs/dbraw/zinc/89/32/11/573893211.db2.gz NZVBRTVPBYZUJR-ZJUUUORDSA-N 2 1 186.299 0.692 10 0 ACAEMP C[NH2+]C[C@@H](C1CCC1)[NH+](C)C 258990187 573893607 /nfs/dbraw/zinc/89/36/07/573893607.db2.gz FZIXYXAFHBDFCS-VIFPVBQESA-N 2 1 156.273 0.936 10 0 ACAEMP [NH3+][C@@H](CN1CC[NH2+]CC1)c1ccco1 258174266 573893658 /nfs/dbraw/zinc/89/36/58/573893658.db2.gz OETMMNVFEGMCLT-VIFPVBQESA-N 2 1 195.266 0.185 10 0 ACAEMP CC[N@H+]1CC[C@H](c2cc(C[NH3+])[nH]n2)C1 259223821 573895272 /nfs/dbraw/zinc/89/52/72/573895272.db2.gz LXMIYTZKZCBAPT-QMMMGPOBSA-N 2 1 194.282 0.678 10 0 ACAEMP C[NH2+][C@](C)(C[NH3+])C1(C)CC1 87363818 573895290 /nfs/dbraw/zinc/89/52/90/573895290.db2.gz DITGUSUIYJHVEW-MRVPVSSYSA-N 2 1 142.246 0.723 10 0 ACAEMP CC[N@H+]1CC[C@@H](c2cc(C[NH3+])[nH]n2)C1 259223818 573895834 /nfs/dbraw/zinc/89/58/34/573895834.db2.gz LXMIYTZKZCBAPT-MRVPVSSYSA-N 2 1 194.282 0.678 10 0 ACAEMP CC(C)[C@H]([NH3+])C[C@H]1COCC[NH2+]1 259578440 573895939 /nfs/dbraw/zinc/89/59/39/573895939.db2.gz WAEVSWYXRKYMKX-DTWKUNHWSA-N 2 1 172.272 0.348 10 0 ACAEMP C[N@H+]1CCC[C@H](C[C@H](O)C[NH3+])C1 76599465 573896167 /nfs/dbraw/zinc/89/61/67/573896167.db2.gz JWWOJJTYPDHABN-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CC[C@H](c2c[nH]c(C[NH3+])n2)C1 259227374 573896396 /nfs/dbraw/zinc/89/63/96/573896396.db2.gz ZZFGTGXXJSTFOQ-ZETCQYMHSA-N 2 1 180.255 0.288 10 0 ACAEMP [NH3+]Cc1coc([C@H]2CCCC[NH2+]2)n1 258174415 573896470 /nfs/dbraw/zinc/89/64/70/573896470.db2.gz RPKMXYVPTFPJGU-MRVPVSSYSA-N 2 1 181.239 0.948 10 0 ACAEMP OC1CC(C[NH2+][C@@H]2CCC[NH2+]C2)C1 84446690 573896541 /nfs/dbraw/zinc/89/65/41/573896541.db2.gz ITYJQGSDYJDERA-HWOCKDDLSA-N 2 1 184.283 0.099 10 0 ACAEMP [NH3+]Cc1coc([C@@H]2CCCC[NH2+]2)n1 258174418 573900607 /nfs/dbraw/zinc/90/06/07/573900607.db2.gz RPKMXYVPTFPJGU-QMMMGPOBSA-N 2 1 181.239 0.948 10 0 ACAEMP CC(C)CC[N@@H+](C)C[C@H](O)CC[NH3+] 259230590 573900614 /nfs/dbraw/zinc/90/06/14/573900614.db2.gz NDCYBYPVYKPTMM-SNVBAGLBSA-N 2 1 188.315 0.674 10 0 ACAEMP CC[NH2+][C@](C)(C[NH3+])C[C@@H]1CCOC1 689865857 573900874 /nfs/dbraw/zinc/90/08/74/573900874.db2.gz OVDDYXGRZPBAJE-UWVGGRQHSA-N 2 1 186.299 0.740 10 0 ACAEMP 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DQKCGGDDHIDRNI-SNVBAGLBSA-N 2 1 186.299 0.755 10 0 ACAEMP C[C@@H]1C[NH2+]C[C@H]1N1CCC[N@@H+](C)CC1 123073988 573922205 /nfs/dbraw/zinc/92/22/05/573922205.db2.gz XJKWZRUAYURFII-GHMZBOCLSA-N 2 1 197.326 0.232 10 0 ACAEMP COCC1([N@@H+](C)C[C@H]2C[C@@H]2C[NH3+])CC1 715210820 573922278 /nfs/dbraw/zinc/92/22/78/573922278.db2.gz KLQDFGHIFBHBKI-NXEZZACHSA-N 2 1 198.310 0.692 10 0 ACAEMP C[C@@H](CC[NH3+])C[N@@H+](C)[C@H]1CCN(C)C1 259010797 573922648 /nfs/dbraw/zinc/92/26/48/573922648.db2.gz XQZNTIVNRLZPHO-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@H+]1CC[C@@H](CC[NH2+]CC2C[NH2+]C2)C1 259010677 573922792 /nfs/dbraw/zinc/92/27/92/573922792.db2.gz XPGQCXADNQTVGM-SNVBAGLBSA-N 3 1 197.326 0.137 10 0 ACAEMP [NH3+]CC[C@]1(F)CC[N@H+]2CCC[C@H]21 257900553 573923486 /nfs/dbraw/zinc/92/34/86/573923486.db2.gz OWIQPWJEOUEOGT-IUCAKERBSA-N 2 1 172.247 0.912 10 0 ACAEMP C[N@H+]1CCC[C@@H](C2([NH3+])CC(C)(O)C2)C1 258182318 573923488 /nfs/dbraw/zinc/92/34/88/573923488.db2.gz VEQPABAQSOAWFH-KPPDAEKUSA-N 2 1 198.310 0.571 10 0 ACAEMP C[N@H+]1CCC[C@H](C2([NH3+])CC(C)(O)C2)C1 258182321 573923549 /nfs/dbraw/zinc/92/35/49/573923549.db2.gz VEQPABAQSOAWFH-WHXUTIOJSA-N 2 1 198.310 0.571 10 0 ACAEMP CCO[C@@]1(C[NH2+]C)CC[N@@H+](C)C1 257900582 573923768 /nfs/dbraw/zinc/92/37/68/573923768.db2.gz OWTBWEKCQOEZOQ-SECBINFHSA-N 2 1 172.272 0.317 10 0 ACAEMP C[N@@H+]1C[C@H]2[C@@H](C[NH3+])C[C@H]2C1 258459070 573923892 /nfs/dbraw/zinc/92/38/92/573923892.db2.gz GXCJZGVQHUWNAI-CSMHCCOUSA-N 2 1 140.230 0.143 10 0 ACAEMP C[C@H]([NH2+]CCCN1CCC1)C1C[NH2+]C1 686251272 573924040 /nfs/dbraw/zinc/92/40/40/573924040.db2.gz JYMRPEOUZQJDMK-JTQLQIEISA-N 2 1 197.326 0.280 10 0 ACAEMP C[C@@H](C[NH3+])CC[NH2+]C[C@H]1CC[N@@H+](C)C1 259010900 573924056 /nfs/dbraw/zinc/92/40/56/573924056.db2.gz XSUULMNBFYZDNI-GHMZBOCLSA-N 3 1 199.342 0.513 10 0 ACAEMP C[C@@H](C[NH3+])CC[NH2+]C[C@H]1CCN(C)C1 259010900 573924062 /nfs/dbraw/zinc/92/40/62/573924062.db2.gz XSUULMNBFYZDNI-GHMZBOCLSA-N 2 1 199.342 0.513 10 0 ACAEMP CCCC1(C[NH3+])C[NH+](C)C1 238198588 573930630 /nfs/dbraw/zinc/93/06/30/573930630.db2.gz NVDLNCKTAHTYST-UHFFFAOYSA-N 2 1 142.246 0.677 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H]([NH3+])CCCO)C1 215021296 573930643 /nfs/dbraw/zinc/93/06/43/573930643.db2.gz FBKJLRCJNYTVQV-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP [NH3+]CC1([C@@H]([NH3+])c2ccccn2)CC1 259585580 573930671 /nfs/dbraw/zinc/93/06/71/573930671.db2.gz WJBHGOKAVXCXOH-VIFPVBQESA-N 2 1 177.251 0.820 10 0 ACAEMP COC[C@H]1CC[N@H+]([C@@H]2CCC[NH2+]C2)C1 81066099 573929929 /nfs/dbraw/zinc/92/99/29/573929929.db2.gz UKURICYNUBOPOW-WDEREUQCSA-N 2 1 198.310 0.707 10 0 ACAEMP CCc1[nH]cc(CC2C[NH2+]C2)[nH+]1 258459067 573929986 /nfs/dbraw/zinc/92/99/86/573929986.db2.gz GWXUPQNEWQEJDP-UHFFFAOYSA-N 2 1 165.240 0.734 10 0 ACAEMP C[N@H+]1CCC[C@H]1C/C=C\C[NH3+] 258182865 573930231 /nfs/dbraw/zinc/93/02/31/573930231.db2.gz MEJJLGANKVSVRZ-PKRMOACSSA-N 2 1 154.257 0.986 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@H]([NH3+])CCCO)C1 215021344 573930427 /nfs/dbraw/zinc/93/04/27/573930427.db2.gz FBKJLRCJNYTVQV-NXEZZACHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H](C[NH3+])CCO)C1 215021188 573930439 /nfs/dbraw/zinc/93/04/39/573930439.db2.gz VGAISJFQFLALBU-UWVGGRQHSA-N 2 1 186.299 0.286 10 0 ACAEMP COC[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 81051475 573930443 /nfs/dbraw/zinc/93/04/43/573930443.db2.gz LFHGCNUFPVIXGU-OUAUKWLOSA-N 2 1 198.310 0.835 10 0 ACAEMP C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1C 259243460 573931874 /nfs/dbraw/zinc/93/18/74/573931874.db2.gz LULRSIFBVPRBIJ-HTQZYQBOSA-N 2 1 142.246 0.546 10 0 ACAEMP C1CC[C@H](C[C@H]2[NH2+]CCCO2)[NH2+]C1 258463034 573931986 /nfs/dbraw/zinc/93/19/86/573931986.db2.gz KNYPXZFVZWCETC-ZJUUUORDSA-N 2 1 184.283 0.855 10 0 ACAEMP C1CC[C@H](C[C@@H]2[NH2+]CCCO2)[NH2+]C1 258462905 573932054 /nfs/dbraw/zinc/93/20/54/573932054.db2.gz KNYPXZFVZWCETC-NXEZZACHSA-N 2 1 184.283 0.855 10 0 ACAEMP C[NH2+]CN1CCc2c[nH+]ccc21 258183363 573932522 /nfs/dbraw/zinc/93/25/22/573932522.db2.gz SVTOHPPIYUFRBK-UHFFFAOYSA-N 2 1 163.224 0.621 10 0 ACAEMP C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1C 259243464 573933081 /nfs/dbraw/zinc/93/30/81/573933081.db2.gz LULRSIFBVPRBIJ-JGVFFNPUSA-N 2 1 142.246 0.546 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH2+]CC2CC([NH3+])C2)C1 259019279 573933229 /nfs/dbraw/zinc/93/32/29/573933229.db2.gz NTSPIHQKMCBKHK-KPPDAEKUSA-N 3 1 197.326 0.265 10 0 ACAEMP CN1CC[C@H](C[NH2+]CC2CC([NH3+])C2)C1 259019279 573933234 /nfs/dbraw/zinc/93/32/34/573933234.db2.gz NTSPIHQKMCBKHK-KPPDAEKUSA-N 2 1 197.326 0.265 10 0 ACAEMP CC[N@H+]1CC[C@]2(CC[C@H](CC[NH3+])O2)C1 686239685 573933365 /nfs/dbraw/zinc/93/33/65/573933365.db2.gz AWOFZVPAERLWKT-GHMZBOCLSA-N 2 1 198.310 0.979 10 0 ACAEMP Cc1[nH+]c(N)[nH]c1[C@H]1CC[N@H+](C)C1 259243802 573933537 /nfs/dbraw/zinc/93/35/37/573933537.db2.gz SOXZYYDLDCSHRQ-ZETCQYMHSA-N 2 1 180.255 0.719 10 0 ACAEMP Cc1[nH]c(N)[nH+]c1[C@H]1CC[N@@H+](C)C1 259243802 573933545 /nfs/dbraw/zinc/93/35/45/573933545.db2.gz SOXZYYDLDCSHRQ-ZETCQYMHSA-N 2 1 180.255 0.719 10 0 ACAEMP Cc1[nH]c(N)[nH+]c1[C@H]1CC[N@H+](C)C1 259243802 573933548 /nfs/dbraw/zinc/93/35/48/573933548.db2.gz SOXZYYDLDCSHRQ-ZETCQYMHSA-N 2 1 180.255 0.719 10 0 ACAEMP [NH3+]CC1C[NH+](C[C@@H]2CCCCO2)C1 84987724 573936663 /nfs/dbraw/zinc/93/66/63/573936663.db2.gz DZRQSVOWUROCQX-JTQLQIEISA-N 2 1 184.283 0.446 10 0 ACAEMP C[NH2+][C@H](C1CCCC1)[C@H]([NH3+])CO 259585922 573936675 /nfs/dbraw/zinc/93/66/75/573936675.db2.gz XMJLJLPUUFRNNW-RKDXNWHRSA-N 2 1 172.272 0.084 10 0 ACAEMP Cc1cc[nH+]c(N2CC(C[NH3+])C2)c1 84987424 573937066 /nfs/dbraw/zinc/93/70/66/573937066.db2.gz ZMGURWFRURINQM-UHFFFAOYSA-N 2 1 177.251 0.785 10 0 ACAEMP Cc1cccc(N2CC(C[NH3+])C2)[nH+]1 84987503 573938346 /nfs/dbraw/zinc/93/83/46/573938346.db2.gz VTQHFBLZOGEUNI-UHFFFAOYSA-N 2 1 177.251 0.785 10 0 ACAEMP C[NH2+]C[C@@H](O)CCn1cc(C)[nH+]c1C 715072241 573938426 /nfs/dbraw/zinc/93/84/26/573938426.db2.gz QDLZWZZOUBENBG-JTQLQIEISA-N 2 1 197.282 0.470 10 0 ACAEMP CC[C@H]([NH3+])CCN1CCC[N@@H+](C)CC1 127772642 573938607 /nfs/dbraw/zinc/93/86/07/573938607.db2.gz GKKYCLKNALJQRI-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CC[C@H]([NH3+])CC[N@@H+]1CCCN(C)CC1 127772642 573938613 /nfs/dbraw/zinc/93/86/13/573938613.db2.gz GKKYCLKNALJQRI-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CC[C@@H]([NH3+])CCN1CCC[N@@H+](C)CC1 127772870 573938642 /nfs/dbraw/zinc/93/86/42/573938642.db2.gz GKKYCLKNALJQRI-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP CC[C@@H]([NH3+])CC[N@@H+]1CCCN(C)CC1 127772870 573938644 /nfs/dbraw/zinc/93/86/44/573938644.db2.gz GKKYCLKNALJQRI-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP CCC[N@H+](CCCOC)CC[NH2+]C 42404304 573938862 /nfs/dbraw/zinc/93/88/62/573938862.db2.gz UNKWHWKLKMDOFO-UHFFFAOYSA-N 2 1 188.315 0.954 10 0 ACAEMP CCC[N@@H+](CCCOC)CC[NH2+]C 42404304 573938863 /nfs/dbraw/zinc/93/88/63/573938863.db2.gz UNKWHWKLKMDOFO-UHFFFAOYSA-N 2 1 188.315 0.954 10 0 ACAEMP [NH3+]CC1C[NH+](C[C@H]2CCCCO2)C1 84987727 573938900 /nfs/dbraw/zinc/93/89/00/573938900.db2.gz DZRQSVOWUROCQX-SNVBAGLBSA-N 2 1 184.283 0.446 10 0 ACAEMP Cc1ccc(N2CC(C[NH3+])C2)[nH+]c1 84987489 573938909 /nfs/dbraw/zinc/93/89/09/573938909.db2.gz HESSQELNXDFDCU-UHFFFAOYSA-N 2 1 177.251 0.785 10 0 ACAEMP C[N@@H+](C[C@H](O)CC[NH3+])CC(C)(C)C 259244253 573939029 /nfs/dbraw/zinc/93/90/29/573939029.db2.gz OHWIYVJUHUOROK-SECBINFHSA-N 2 1 188.315 0.674 10 0 ACAEMP Cc1cc(C[NH2+]CCC[NH3+])on1 45011531 573940335 /nfs/dbraw/zinc/94/03/35/573940335.db2.gz DOPUOBPRMGCSOO-UHFFFAOYSA-N 2 1 169.228 0.421 10 0 ACAEMP CCC[NH2+]CCC[N@@H+](CC)CCO 42409688 573940357 /nfs/dbraw/zinc/94/03/57/573940357.db2.gz BMZHHCXKIVSYDL-UHFFFAOYSA-N 2 1 188.315 0.690 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H](N)C[NH2+]C2CCC2)C1 258185012 573940089 /nfs/dbraw/zinc/94/00/89/573940089.db2.gz OSWXWXOXKWPFDC-KOLCDFICSA-N 2 1 197.326 0.408 10 0 ACAEMP [NH3+]C[C@@H](O)[C@@H]1[NH2+]Cc2ccccc21 84991368 573942154 /nfs/dbraw/zinc/94/21/54/573942154.db2.gz MVMXOYDQFUYTBR-NXEZZACHSA-N 2 1 178.235 0.151 10 0 ACAEMP CN[C@H]([C@H]1CCC[N@@H+](C)C1)N(C)C 259246324 573942359 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573998266 /nfs/dbraw/zinc/99/82/66/573998266.db2.gz AYADVZPNCMFNNV-UHFFFAOYSA-N 2 1 193.250 0.059 10 0 ACAEMP CC[N@@H+](C1CC1)C1CC([NH3+])C1 87653187 574000918 /nfs/dbraw/zinc/00/09/18/574000918.db2.gz JAXBKCQZDDKXNG-UHFFFAOYSA-N 2 1 154.257 0.960 10 0 ACAEMP Cn1c[nH+]cc1[C@H]1C[C@@H]1C[NH3+] 85182391 574000942 /nfs/dbraw/zinc/00/09/42/574000942.db2.gz FOCFFXUPUHKMBQ-RQJHMYQMSA-N 2 1 151.213 0.482 10 0 ACAEMP C[C@@H]1C[N@H+](C2CC([NH3+])C2)CCCO1 87653497 574000351 /nfs/dbraw/zinc/00/03/51/574000351.db2.gz WFWLLNZGYXLMCL-XNWIYYODSA-N 2 1 184.283 0.587 10 0 ACAEMP O[C@]1([C@@H]2CCC[NH2+]2)CC[N@H+]2CCC[C@@H]21 123343904 574000409 /nfs/dbraw/zinc/00/04/09/574000409.db2.gz NEQBXLQBSFSQQH-AXFHLTTASA-N 2 1 196.294 0.338 10 0 ACAEMP Cc1c[nH+]c(N)n1Cc1c[nH+]cn1C 85168198 574000411 /nfs/dbraw/zinc/00/04/11/574000411.db2.gz QEZUZMIYWIZOBJ-UHFFFAOYSA-N 2 1 191.238 0.556 10 0 ACAEMP CC[C@H]1COCC[N@@H+]1C1CC([NH3+])C1 87653273 574000429 /nfs/dbraw/zinc/00/04/29/574000429.db2.gz 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183.299 0.112 10 0 ACAEMP C[C@@H]1C[N@@H+](C2CC([NH3+])C2)CC(C)(C)O1 87653450 574002818 /nfs/dbraw/zinc/00/28/18/574002818.db2.gz ZYTUATQUHOFGHJ-XNWIYYODSA-N 2 1 198.310 0.975 10 0 ACAEMP C[C@@H]1C[N@H+](C2CC([NH3+])C2)CC(C)(C)O1 87653450 574002825 /nfs/dbraw/zinc/00/28/25/574002825.db2.gz ZYTUATQUHOFGHJ-XNWIYYODSA-N 2 1 198.310 0.975 10 0 ACAEMP CC[N@H+](CC[C@@H](C)[NH3+])CC1CN(C)C1 715113060 574002859 /nfs/dbraw/zinc/00/28/59/574002859.db2.gz QYWBZOPDMNQWQK-SNVBAGLBSA-N 2 1 199.342 0.607 10 0 ACAEMP [NH3+]C1CC([N@@H+]2CCO[C@H]3CCC[C@H]32)C1 87653439 574002861 /nfs/dbraw/zinc/00/28/61/574002861.db2.gz SJCQXCVVFKLKSD-LXKPXOPUSA-N 2 1 196.294 0.729 10 0 ACAEMP CC[N@@H+](CC[C@@H](C)[NH3+])CC1CN(C)C1 715113060 574002862 /nfs/dbraw/zinc/00/28/62/574002862.db2.gz QYWBZOPDMNQWQK-SNVBAGLBSA-N 2 1 199.342 0.607 10 0 ACAEMP [NH3+]C1CC([N@H+]2CCO[C@H]3CCC[C@H]32)C1 87653439 574002865 /nfs/dbraw/zinc/00/28/65/574002865.db2.gz SJCQXCVVFKLKSD-LXKPXOPUSA-N 2 1 196.294 0.729 10 0 ACAEMP Cn1c[nH+]cc1CCCC[NH3+] 85169264 574002882 /nfs/dbraw/zinc/00/28/82/574002882.db2.gz GGVPYGUNQORYCG-UHFFFAOYSA-N 2 1 153.229 0.702 10 0 ACAEMP Cn1c[nH+]cc1C[C@H]1CC[NH2+]C1 85182581 574002962 /nfs/dbraw/zinc/00/29/62/574002962.db2.gz COIPSIGBENXWIV-MRVPVSSYSA-N 2 1 165.240 0.572 10 0 ACAEMP [NH3+][C@@]1(CO)CCC[N@H+](C2CCC2)CC1 258198522 574003030 /nfs/dbraw/zinc/00/30/30/574003030.db2.gz WNOWGYSNMSFKLE-NSHDSACASA-N 2 1 198.310 0.715 10 0 ACAEMP C[N@H+]1CCC[C@H](C2C[NH2+]C2)C1 259270477 574003913 /nfs/dbraw/zinc/00/39/13/574003913.db2.gz OTCMRGLMJBQBPG-QMMMGPOBSA-N 2 1 154.257 0.548 10 0 ACAEMP C[C@H]1C[N@@H+](C[C@H]2C[C@H]2C[NH3+])C[C@@H](C)O1 715115097 574003967 /nfs/dbraw/zinc/00/39/67/574003967.db2.gz OFMCKZOTUIIBNA-ZRUFSTJUSA-N 2 1 198.310 0.690 10 0 ACAEMP C[N@H+]1CC[C@@H](Cc2nc(C[NH3+])co2)C1 258200230 574004260 /nfs/dbraw/zinc/00/42/60/574004260.db2.gz TURKKAQBGQPHDL-QMMMGPOBSA-N 2 1 195.266 0.628 10 0 ACAEMP CC[NH2+][C@]1(CO)CC[N@@H+]2CCC[C@@H]21 123364928 574004959 /nfs/dbraw/zinc/00/49/59/574004959.db2.gz SXAADLQYOUKPOV-ZJUUUORDSA-N 2 1 184.283 0.195 10 0 ACAEMP CC[NH2+][C@]1(CO)CC[N@H+]2CCC[C@@H]21 123364928 574004964 /nfs/dbraw/zinc/00/49/64/574004964.db2.gz SXAADLQYOUKPOV-ZJUUUORDSA-N 2 1 184.283 0.195 10 0 ACAEMP C[N@H+]1CC[C@H](Cc2nc(C[NH3+])co2)C1 258200226 574005112 /nfs/dbraw/zinc/00/51/12/574005112.db2.gz TURKKAQBGQPHDL-MRVPVSSYSA-N 2 1 195.266 0.628 10 0 ACAEMP Cn1cc[nH+]c1C[C@@]1(O)CC[C@@H]([NH3+])C1 87654417 574005125 /nfs/dbraw/zinc/00/51/25/574005125.db2.gz VUJXKEAKRUVONK-PSASIEDQSA-N 2 1 195.266 0.205 10 0 ACAEMP Cn1cc[nH+]c1C[C@]1(O)CC[C@H]([NH3+])C1 87654414 574005154 /nfs/dbraw/zinc/00/51/54/574005154.db2.gz VUJXKEAKRUVONK-WPRPVWTQSA-N 2 1 195.266 0.205 10 0 ACAEMP Cn1cc[nH+]c1C[C@]1(O)CC[C@@H]([NH3+])C1 87654416 574005200 /nfs/dbraw/zinc/00/52/00/574005200.db2.gz VUJXKEAKRUVONK-SCZZXKLOSA-N 2 1 195.266 0.205 10 0 ACAEMP CC(C)(C[N@@H+](CCO)C1CC1)C(N)=[NH2+] 405130584 574005298 /nfs/dbraw/zinc/00/52/98/574005298.db2.gz MRCNBGFXUIIKDY-UHFFFAOYSA-N 2 1 199.298 0.405 10 0 ACAEMP CCn1c[nH+]cc1[C@H]1C[C@@H]1C[NH3+] 85185470 574005308 /nfs/dbraw/zinc/00/53/08/574005308.db2.gz ISXLLGVIQDFZBT-SFYZADRCSA-N 2 1 165.240 0.965 10 0 ACAEMP C[N@@H+]1CCC[C@@H]1C[C@]1(C)[NH2+]CCO1 258524513 574007562 /nfs/dbraw/zinc/00/75/62/574007562.db2.gz NGNVQUACCNUPHU-NXEZZACHSA-N 2 1 184.283 0.807 10 0 ACAEMP CCn1c[nH+]cc1[C@@H]1C[C@H]1[NH3+] 85185284 574007224 /nfs/dbraw/zinc/00/72/24/574007224.db2.gz MXGPCCIMVDKOCA-RNFRBKRXSA-N 2 1 151.213 0.718 10 0 ACAEMP CC[NH2+][C@@]1(CO)CC[N@@H+]2CCC[C@@H]21 123365216 574007478 /nfs/dbraw/zinc/00/74/78/574007478.db2.gz SXAADLQYOUKPOV-NXEZZACHSA-N 2 1 184.283 0.195 10 0 ACAEMP CC[NH2+][C@@]1(CO)CC[N@H+]2CCC[C@@H]21 123365216 574007482 /nfs/dbraw/zinc/00/74/82/574007482.db2.gz SXAADLQYOUKPOV-NXEZZACHSA-N 2 1 184.283 0.195 10 0 ACAEMP CCn1c[nH+]cc1[C@@H]1C[C@@H]1[NH3+] 85185279 574009186 /nfs/dbraw/zinc/00/91/86/574009186.db2.gz MXGPCCIMVDKOCA-RQJHMYQMSA-N 2 1 151.213 0.718 10 0 ACAEMP C[NH2+]Cc1nc(C[C@@H]2CCC[NH2+]2)no1 258202250 574009662 /nfs/dbraw/zinc/00/96/62/574009662.db2.gz ZIYMUSPTKAGHRB-ZETCQYMHSA-N 2 1 196.254 0.084 10 0 ACAEMP C[C@@H]([NH3+])N1CCC[N@@H+](C)[C@@H](C)C1 258201176 574009744 /nfs/dbraw/zinc/00/97/44/574009744.db2.gz PUYSKQZNTUKLGY-IUCAKERBSA-N 2 1 171.288 0.317 10 0 ACAEMP C[N@H+]1CC[C@H](Cn2cncc2C[NH3+])C1 85197278 574010758 /nfs/dbraw/zinc/01/07/58/574010758.db2.gz FLJSWFLSKIVLBM-VIFPVBQESA-N 2 1 194.282 0.294 10 0 ACAEMP C[N@H+]1C[C@@H]([NH3+])CCC1(C)C 259272314 574011446 /nfs/dbraw/zinc/01/14/46/574011446.db2.gz GDXTUUOIBPMTPR-ZETCQYMHSA-N 2 1 142.246 0.818 10 0 ACAEMP C[N@@H+]1CCC[C@H]1C[C@]1(C)[NH2+]CCO1 258524526 574011691 /nfs/dbraw/zinc/01/16/91/574011691.db2.gz NGNVQUACCNUPHU-VHSXEESVSA-N 2 1 184.283 0.807 10 0 ACAEMP C[N@H+]1CCC[C@H]1C[C@]1(C)[NH2+]CCO1 258524526 574011695 /nfs/dbraw/zinc/01/16/95/574011695.db2.gz NGNVQUACCNUPHU-VHSXEESVSA-N 2 1 184.283 0.807 10 0 ACAEMP C[N@H+]1CCC[C@H](n2cncc2C[NH3+])C1 85197408 574011809 /nfs/dbraw/zinc/01/18/09/574011809.db2.gz LFHHFOGNSLWVEW-VIFPVBQESA-N 2 1 194.282 0.609 10 0 ACAEMP CC(C)[NH2+]CC(=O)[C@H]1CCC[N@@H+](C)C1 259274016 574012004 /nfs/dbraw/zinc/01/20/04/574012004.db2.gz UJVRIWCUPHZPGK-JTQLQIEISA-N 2 1 198.310 0.895 10 0 ACAEMP C[N@H+]1CC[C@@H](n2cncc2C[NH3+])C1 85197477 574012036 /nfs/dbraw/zinc/01/20/36/574012036.db2.gz INNGHPWQMSSNJC-MRVPVSSYSA-N 2 1 180.255 0.218 10 0 ACAEMP C[N@H+]1CC[C@H](n2cncc2C[NH3+])C1 85197474 574012091 /nfs/dbraw/zinc/01/20/91/574012091.db2.gz INNGHPWQMSSNJC-QMMMGPOBSA-N 2 1 180.255 0.218 10 0 ACAEMP NC(=[NH2+])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 111366809 574012128 /nfs/dbraw/zinc/01/21/28/574012128.db2.gz VNXAIMZRDDWTKS-SFYZADRCSA-N 2 1 182.271 0.096 10 0 ACAEMP C[NH2+]Cc1cncn1[C@@H]1CC[N@@H+](C)C1 85197496 574012169 /nfs/dbraw/zinc/01/21/69/574012169.db2.gz LLRLGYZZCDHFGY-SECBINFHSA-N 2 1 194.282 0.479 10 0 ACAEMP C[NH2+]Cc1cncn1[C@H]1CC[N@@H+](C)C1 85197498 574012195 /nfs/dbraw/zinc/01/21/95/574012195.db2.gz LLRLGYZZCDHFGY-VIFPVBQESA-N 2 1 194.282 0.479 10 0 ACAEMP NC(=[NH2+])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 111366807 574013134 /nfs/dbraw/zinc/01/31/34/574013134.db2.gz VNXAIMZRDDWTKS-HTQZYQBOSA-N 2 1 182.271 0.096 10 0 ACAEMP C[N@H+]1CC[C@@H](Cn2cncc2C[NH3+])C1 85197283 574013289 /nfs/dbraw/zinc/01/32/89/574013289.db2.gz FLJSWFLSKIVLBM-SECBINFHSA-N 2 1 194.282 0.294 10 0 ACAEMP CNC(=[NH2+])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 111366822 574013470 /nfs/dbraw/zinc/01/34/70/574013470.db2.gz XONNKQWXHPREDS-RKDXNWHRSA-N 2 1 196.298 0.357 10 0 ACAEMP Cc1cc([C@H]([NH3+])CN)c[nH]c1=O 104509448 574019939 /nfs/dbraw/zinc/01/99/39/574019939.db2.gz AGVLEJVULVSQNK-SSDOTTSWSA-N 2 1 167.212 0.054 10 0 ACAEMP [NH3+]CCC(=O)[C@H]1[NH2+]Cc2ccccc21 104516162 574021416 /nfs/dbraw/zinc/02/14/16/574021416.db2.gz FUSIKZYDVCKRON-NSHDSACASA-N 2 1 190.246 0.749 10 0 ACAEMP CC(C)[N@H+]1CC[C@@H](N(C)C2C[NH2+]C2)C1 85257040 574021439 /nfs/dbraw/zinc/02/14/39/574021439.db2.gz HGOVGIIJCPTWIZ-SNVBAGLBSA-N 2 1 197.326 0.373 10 0 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574028331 /nfs/dbraw/zinc/02/83/31/574028331.db2.gz MDIBXCSRMIYLSS-BBBLOLIVSA-N 2 1 198.310 0.297 10 0 ACAEMP O[C@@H]1CCC[C@@H]1[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85283480 574028367 /nfs/dbraw/zinc/02/83/67/574028367.db2.gz UTDBRNNHDBLTFS-ZRUFSTJUSA-N 2 1 196.294 0.051 10 0 ACAEMP [NH3+]CC[C@@H]1[NH2+]Cc2ccc(O)cc21 223777654 574028400 /nfs/dbraw/zinc/02/84/00/574028400.db2.gz JXDURTNHMBPDIH-JTQLQIEISA-N 2 1 178.235 0.885 10 0 ACAEMP CC(C)[N@H+]1C2CC(C2)[C@H]1CN 258467093 574028405 /nfs/dbraw/zinc/02/84/05/574028405.db2.gz HULRYZQPICTNBF-AMDVSUOASA-N 2 1 154.257 0.816 10 0 ACAEMP CC(C)[N@H+]1C2CC(C2)[C@H]1C[NH3+] 258467093 574028408 /nfs/dbraw/zinc/02/84/08/574028408.db2.gz HULRYZQPICTNBF-AMDVSUOASA-N 2 1 154.257 0.816 10 0 ACAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1C 85287299 574028445 /nfs/dbraw/zinc/02/84/45/574028445.db2.gz UQPGZGIIDFYVHD-HRDYMLBCSA-N 2 1 154.257 0.546 10 0 ACAEMP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1CCCO 85289351 574029029 /nfs/dbraw/zinc/02/90/29/574029029.db2.gz 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YFINSLBZAQVWII-UHFFFAOYSA-N 2 1 199.323 0.966 10 0 ACAEMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 719669520 674066131 /nfs/dbraw/zinc/06/61/31/674066131.db2.gz XWLUWNLOCYZHBE-MNOVXSKESA-N 2 1 198.310 0.707 10 0 ACAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 719669518 674066160 /nfs/dbraw/zinc/06/61/60/674066160.db2.gz XWLUWNLOCYZHBE-GHMZBOCLSA-N 2 1 198.310 0.707 10 0 ACAEMP C[C@H]1CC[N@@H+](CCC[NH3+])CCO1 719781605 674066329 /nfs/dbraw/zinc/06/63/29/674066329.db2.gz LFFLYWHJIVRKKH-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP C[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 719669523 674066406 /nfs/dbraw/zinc/06/64/06/674066406.db2.gz XWLUWNLOCYZHBE-QWRGUYRKSA-N 2 1 198.310 0.707 10 0 ACAEMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 719720496 674066427 /nfs/dbraw/zinc/06/64/27/674066427.db2.gz FUIWMEACVFRDEM-MXWKQRLJSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 719669527 674066508 /nfs/dbraw/zinc/06/65/08/674066508.db2.gz XWLUWNLOCYZHBE-WDEREUQCSA-N 2 1 198.310 0.707 10 0 ACAEMP C[NH2+]CCC[N@H+]1CCO[C@@H](C)CC1 719767027 674066526 /nfs/dbraw/zinc/06/65/26/674066526.db2.gz CPIWKKLMRQGFOQ-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP C[C@@H]1CC[N@@H+](CCC[NH3+])CCO1 719781604 674066548 /nfs/dbraw/zinc/06/65/48/674066548.db2.gz LFFLYWHJIVRKKH-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP CC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] 168921333 1169291283 /nfs/dbraw/zinc/29/12/83/1169291283.db2.gz ZBLFPCCXYPTSOH-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] 168921333 1169291291 /nfs/dbraw/zinc/29/12/91/1169291291.db2.gz ZBLFPCCXYPTSOH-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+]1CCC[C@@H](N2CCC[C@@H]2C[NH3+])C1 168827421 1169291430 /nfs/dbraw/zinc/29/14/30/1169291430.db2.gz APFCSFWJTIIJQF-GHMZBOCLSA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@H+]1CCC[C@H](N2CCC[C@@H]2C[NH3+])C1 168827330 1169291662 /nfs/dbraw/zinc/29/16/62/1169291662.db2.gz APFCSFWJTIIJQF-MNOVXSKESA-N 2 1 197.326 0.504 10 0 ACAEMP 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674074597 /nfs/dbraw/zinc/07/45/97/674074597.db2.gz ZBDYZWGHDTYQTC-GHMZBOCLSA-N 2 1 197.326 0.504 10 0 ACAEMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCC[NH3+] 720904165 674074598 /nfs/dbraw/zinc/07/45/98/674074598.db2.gz ZBDYZWGHDTYQTC-GHMZBOCLSA-N 2 1 197.326 0.504 10 0 ACAEMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCC[NH3+] 720904170 674075075 /nfs/dbraw/zinc/07/50/75/674075075.db2.gz ZBDYZWGHDTYQTC-QWRGUYRKSA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCC[NH3+] 720904172 674075134 /nfs/dbraw/zinc/07/51/34/674075134.db2.gz ZBDYZWGHDTYQTC-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC[NH3+] 720904172 674075135 /nfs/dbraw/zinc/07/51/35/674075135.db2.gz ZBDYZWGHDTYQTC-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC[NH3+] 720904172 674075136 /nfs/dbraw/zinc/07/51/36/674075136.db2.gz ZBDYZWGHDTYQTC-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2C[NH3+])C1 721914846 674078619 /nfs/dbraw/zinc/07/86/19/674078619.db2.gz PMAMTHAMPXTWHE-MXWKQRLJSA-N 2 1 198.310 0.835 10 0 ACAEMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C[NH3+])C1 721914846 674078620 /nfs/dbraw/zinc/07/86/20/674078620.db2.gz PMAMTHAMPXTWHE-MXWKQRLJSA-N 2 1 198.310 0.835 10 0 ACAEMP CC[N@@H+]1CC[C@@](C)([NH3+])C1 204315646 1169311401 /nfs/dbraw/zinc/31/14/01/1169311401.db2.gz HPCXUANXVSBQHO-SSDOTTSWSA-N 2 1 128.219 0.429 10 0 ACAEMP CC[N@H+]1CC[C@@](C)([NH3+])C1 204315646 1169311409 /nfs/dbraw/zinc/31/14/09/1169311409.db2.gz HPCXUANXVSBQHO-SSDOTTSWSA-N 2 1 128.219 0.429 10 0 ACAEMP CC[N@@H+]1CC[C@](C)([NH3+])C1 204315663 1169313116 /nfs/dbraw/zinc/31/31/16/1169313116.db2.gz HPCXUANXVSBQHO-ZETCQYMHSA-N 2 1 128.219 0.429 10 0 ACAEMP CC[N@H+]1CC[C@](C)([NH3+])C1 204315663 1169313124 /nfs/dbraw/zinc/31/31/24/1169313124.db2.gz HPCXUANXVSBQHO-ZETCQYMHSA-N 2 1 128.219 0.429 10 0 ACAEMP CCN1CC[NH+]2CCC1CC2 207763416 1169324533 /nfs/dbraw/zinc/32/45/33/1169324533.db2.gz XHKXDFVJJBDKJC-UHFFFAOYSA-N 2 1 154.257 0.786 10 0 ACAEMP CC[N@H+]1CC[C@H](N2CCC[NH2+]CC2)C1 211350468 1169326185 /nfs/dbraw/zinc/32/61/85/1169326185.db2.gz ONMCQWVUJIZBHD-NSHDSACASA-N 2 1 197.326 0.376 10 0 ACAEMP CO[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])CC1 211709258 1169326974 /nfs/dbraw/zinc/32/69/74/1169326974.db2.gz OUPBGWSWMFTQTM-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP [NH3+][C@@H]1CCC[N@@H+](CCCO)CC1 211582878 1169327597 /nfs/dbraw/zinc/32/75/97/1169327597.db2.gz YWYREGJXFHDTNI-SECBINFHSA-N 2 1 172.272 0.182 10 0 ACAEMP CO[C@@H]1CCC[N@H+](CC[NH3+])CC1 211708264 1169328015 /nfs/dbraw/zinc/32/80/15/1169328015.db2.gz ZIWKPMDIPZIIPI-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP CO[C@@H]1CCC[N@@H+](CC[NH3+])CC1 211708264 1169328023 /nfs/dbraw/zinc/32/80/23/1169328023.db2.gz ZIWKPMDIPZIIPI-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP CC[N@H+]1CC[C@@H](N2CCC[NH2+]CC2)C1 211350540 1169328173 /nfs/dbraw/zinc/32/81/73/1169328173.db2.gz ONMCQWVUJIZBHD-LLVKDONJSA-N 2 1 197.326 0.376 10 0 ACAEMP CO[C@H]1CCC[N@H+](CC[NH3+])CC1 211708348 1169328244 /nfs/dbraw/zinc/32/82/44/1169328244.db2.gz ZIWKPMDIPZIIPI-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP CO[C@H]1CCC[N@@H+](CC[NH3+])CC1 211708348 1169328251 /nfs/dbraw/zinc/32/82/51/1169328251.db2.gz ZIWKPMDIPZIIPI-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP CO[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])CC1 211709335 1169328395 /nfs/dbraw/zinc/32/83/95/1169328395.db2.gz OUPBGWSWMFTQTM-ZJUUUORDSA-N 2 1 186.299 0.835 10 0 ACAEMP OCC[NH2+]C1CC[NH+](C2CC2)CC1 212046285 1169329682 /nfs/dbraw/zinc/32/96/82/1169329682.db2.gz QGKAZTSLXCKVKC-UHFFFAOYSA-N 2 1 184.283 0.195 10 0 ACAEMP [NH3+][C@@H]1CCCC[N@H+](CCCO)C1 211992282 1169329728 /nfs/dbraw/zinc/32/97/28/1169329728.db2.gz SZIIWNGFCMVYLQ-SECBINFHSA-N 2 1 172.272 0.182 10 0 ACAEMP [NH3+][C@@H]1CCCC[N@@H+](CCCO)C1 211992282 1169329738 /nfs/dbraw/zinc/32/97/38/1169329738.db2.gz SZIIWNGFCMVYLQ-SECBINFHSA-N 2 1 172.272 0.182 10 0 ACAEMP CC(C)[N@H+]1CC[C@@H](OCCC[NH3+])C1 212078257 1169330349 /nfs/dbraw/zinc/33/03/49/1169330349.db2.gz APWOCBDBUZEOQP-SNVBAGLBSA-N 2 1 186.299 0.835 10 0 ACAEMP C[NH+]1CCC[C@H]([N@@H+](C)CCO)CC1 212076217 1169330462 /nfs/dbraw/zinc/33/04/62/1169330462.db2.gz AIRANUZIAHPRBX-JTQLQIEISA-N 2 1 186.299 0.395 10 0 ACAEMP C[NH+](CCO)[C@H]1CCC[N@H+](C)CC1 212076217 1169330470 /nfs/dbraw/zinc/33/04/70/1169330470.db2.gz AIRANUZIAHPRBX-JTQLQIEISA-N 2 1 186.299 0.395 10 0 ACAEMP C[NH+](CCO)[C@H]1CCC[N@@H+](C)CC1 212076217 1169330477 /nfs/dbraw/zinc/33/04/77/1169330477.db2.gz AIRANUZIAHPRBX-JTQLQIEISA-N 2 1 186.299 0.395 10 0 ACAEMP [NH3+]C[C@H]1CCCC[N@@H+](CCCO)C1 212070280 1169330540 /nfs/dbraw/zinc/33/05/40/1169330540.db2.gz JLCVTIKVZPTKPA-SNVBAGLBSA-N 2 1 186.299 0.430 10 0 ACAEMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCO)C1 212070206 1169330768 /nfs/dbraw/zinc/33/07/68/1169330768.db2.gz JLCVTIKVZPTKPA-JTQLQIEISA-N 2 1 186.299 0.430 10 0 ACAEMP C[N@@H+](CCCC[NH3+])C1COC1 212059828 1169330820 /nfs/dbraw/zinc/33/08/20/1169330820.db2.gz JHBRLVOVWZLXMA-UHFFFAOYSA-N 2 1 158.245 0.056 10 0 ACAEMP OCCC[NH2+]C1CC[NH+](C2CC2)CC1 212191625 1169331088 /nfs/dbraw/zinc/33/10/88/1169331088.db2.gz PMQZBOBFBOHXGP-UHFFFAOYSA-N 2 1 198.310 0.585 10 0 ACAEMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCO 211990775 1169331170 /nfs/dbraw/zinc/33/11/70/1169331170.db2.gz YOXLIIMRHUAHGE-VIFPVBQESA-N 2 1 172.272 0.182 10 0 ACAEMP C[C@@H]([NH3+])C[NH+]1CC2CC(C2)C1 211951661 1169331532 /nfs/dbraw/zinc/33/15/32/1169331532.db2.gz UOIJWQVOMDVVRY-AFPNSQJFSA-N 2 1 154.257 0.675 10 0 ACAEMP [NH3+]C[C@@H]1CCCC[N@@H+](CCO)C1 211992092 1169331698 /nfs/dbraw/zinc/33/16/98/1169331698.db2.gz ODXQQSNMXGOOJA-VIFPVBQESA-N 2 1 172.272 0.040 10 0 ACAEMP C[C@H](O)C[N@H+]1CCC[C@H]([NH3+])CC1 211993821 1169331851 /nfs/dbraw/zinc/33/18/51/1169331851.db2.gz QRGVXAVOCGRUBE-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP [NH3+][C@H]1CCCC[N@H+](CCCO)C1 211992344 1169331865 /nfs/dbraw/zinc/33/18/65/1169331865.db2.gz SZIIWNGFCMVYLQ-VIFPVBQESA-N 2 1 172.272 0.182 10 0 ACAEMP [NH3+][C@H]1CCCC[N@@H+](CCCO)C1 211992344 1169331872 /nfs/dbraw/zinc/33/18/72/1169331872.db2.gz SZIIWNGFCMVYLQ-VIFPVBQESA-N 2 1 172.272 0.182 10 0 ACAEMP C[C@H]([NH3+])C[NH+]1CC2CC(C2)C1 211951599 1169331930 /nfs/dbraw/zinc/33/19/30/1169331930.db2.gz UOIJWQVOMDVVRY-UEJVZZJDSA-N 2 1 154.257 0.675 10 0 ACAEMP CC(C)[N@H+]1CC[C@H](OCCC[NH3+])C1 212078181 1169332305 /nfs/dbraw/zinc/33/23/05/1169332305.db2.gz APWOCBDBUZEOQP-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@H+](CCO)C1CC[NH+](C2CC2)CC1 212192223 1169332372 /nfs/dbraw/zinc/33/23/72/1169332372.db2.gz ZGMLGUMCYAILHL-UHFFFAOYSA-N 2 1 198.310 0.537 10 0 ACAEMP C[N@@H+](CCO)C1CC[NH+](C2CC2)CC1 212192223 1169332380 /nfs/dbraw/zinc/33/23/80/1169332380.db2.gz ZGMLGUMCYAILHL-UHFFFAOYSA-N 2 1 198.310 0.537 10 0 ACAEMP C[NH+]1CCC[C@@H]([N@@H+](C)CCO)CC1 212076285 1169332494 /nfs/dbraw/zinc/33/24/94/1169332494.db2.gz AIRANUZIAHPRBX-SNVBAGLBSA-N 2 1 186.299 0.395 10 0 ACAEMP C[NH+](CCO)[C@@H]1CCC[N@H+](C)CC1 212076285 1169332503 /nfs/dbraw/zinc/33/25/03/1169332503.db2.gz AIRANUZIAHPRBX-SNVBAGLBSA-N 2 1 186.299 0.395 10 0 ACAEMP C[NH+](CCO)[C@@H]1CCC[N@@H+](C)CC1 212076285 1169332510 /nfs/dbraw/zinc/33/25/10/1169332510.db2.gz AIRANUZIAHPRBX-SNVBAGLBSA-N 2 1 186.299 0.395 10 0 ACAEMP [NH3+]C[C@H]1CCCC[N@@H+](CCO)C1 211992172 1169332960 /nfs/dbraw/zinc/33/29/60/1169332960.db2.gz ODXQQSNMXGOOJA-SECBINFHSA-N 2 1 172.272 0.040 10 0 ACAEMP C[C@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 212070406 1169333072 /nfs/dbraw/zinc/33/30/72/1169333072.db2.gz VLIPSXFHTWOUSW-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@@H+](CC1CC[NH2+]CC1)C1COC1 213145086 1169334190 /nfs/dbraw/zinc/33/41/90/1169334190.db2.gz QZOVJMRTYPVQLH-UHFFFAOYSA-N 2 1 184.283 0.317 10 0 ACAEMP C[N@H+]1CCC[C@@H](CN2CC[C@@H]([NH3+])C2)C1 217582425 1169339078 /nfs/dbraw/zinc/33/90/78/1169339078.db2.gz BAXLFXKPMSYRSQ-GHMZBOCLSA-N 2 1 197.326 0.361 10 0 ACAEMP C[N@H+]1CCC[C@H](CN2CC[C@@H]([NH3+])C2)C1 217582506 1169339278 /nfs/dbraw/zinc/33/92/78/1169339278.db2.gz BAXLFXKPMSYRSQ-WDEREUQCSA-N 2 1 197.326 0.361 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/nfs/dbraw/zinc/51/63/63/1169516363.db2.gz KZNBUMWAZPIYQP-OUAUKWLOSA-N 2 1 198.310 0.584 10 0 ACAEMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2CO)C[NH2+]1 307365214 1169516368 /nfs/dbraw/zinc/51/63/68/1169516368.db2.gz KZNBUMWAZPIYQP-OUAUKWLOSA-N 2 1 198.310 0.584 10 0 ACAEMP OCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 307350994 1169516420 /nfs/dbraw/zinc/51/64/20/1169516420.db2.gz AZQYOBPWUZFTGA-PHIMTYICSA-N 2 1 198.310 0.300 10 0 ACAEMP C[C@]1(C[NH2+][C@H]2CCC[NH2+]C2)CCOC1 307371356 1169516782 /nfs/dbraw/zinc/51/67/82/1169516782.db2.gz PVRCKNHSRWNVJO-WDEREUQCSA-N 2 1 198.310 0.755 10 0 ACAEMP C[C@@]1(CO)CC[N@H+](C2CC[NH2+]CC2)C1 307383072 1169517109 /nfs/dbraw/zinc/51/71/09/1169517109.db2.gz CXIJOPVXXVYPFB-LLVKDONJSA-N 2 1 198.310 0.443 10 0 ACAEMP C[C@]1(C[NH2+][C@@H]2CCC[NH2+]C2)CCOC1 307371352 1169517144 /nfs/dbraw/zinc/51/71/44/1169517144.db2.gz PVRCKNHSRWNVJO-GHMZBOCLSA-N 2 1 198.310 0.755 10 0 ACAEMP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2CO)C[NH2+]1 307365212 1169517627 /nfs/dbraw/zinc/51/76/27/1169517627.db2.gz KZNBUMWAZPIYQP-MXWKQRLJSA-N 2 1 198.310 0.584 10 0 ACAEMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2CO)C[NH2+]1 307365212 1169517636 /nfs/dbraw/zinc/51/76/36/1169517636.db2.gz KZNBUMWAZPIYQP-MXWKQRLJSA-N 2 1 198.310 0.584 10 0 ACAEMP C[C@@]1(C[NH2+][C@@H]2CCC[NH2+]C2)CCOC1 307371353 1169517989 /nfs/dbraw/zinc/51/79/89/1169517989.db2.gz PVRCKNHSRWNVJO-MNOVXSKESA-N 2 1 198.310 0.755 10 0 ACAEMP C[C@@]1(C[NH2+][C@H]2CCC[NH2+]C2)CCOC1 307371355 1169518011 /nfs/dbraw/zinc/51/80/11/1169518011.db2.gz PVRCKNHSRWNVJO-QWRGUYRKSA-N 2 1 198.310 0.755 10 0 ACAEMP OCCC[N@H+]1CCC2(CC[NH2+]CC2)C1 307424516 1169518990 /nfs/dbraw/zinc/51/89/90/1169518990.db2.gz DKQVKLLWYCEUMT-UHFFFAOYSA-N 2 1 198.310 0.444 10 0 ACAEMP CC[N@H+]1CC[C@@H](N2CCC[C@@H]2C[NH3+])C1 307486116 1169523331 /nfs/dbraw/zinc/52/33/31/1169523331.db2.gz VCZSJLBXYNPNFA-GHMZBOCLSA-N 2 1 197.326 0.504 10 0 ACAEMP CC[N@H+]1CC[C@H](N2CCC[C@@H]2C[NH3+])C1 307486117 1169523707 /nfs/dbraw/zinc/52/37/07/1169523707.db2.gz VCZSJLBXYNPNFA-MNOVXSKESA-N 2 1 197.326 0.504 10 0 ACAEMP CC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 307535884 1169526112 /nfs/dbraw/zinc/52/61/12/1169526112.db2.gz SDRHMCVTXBGTIV-IWSPIJDZSA-N 2 1 172.272 0.179 10 0 ACAEMP CC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C 307535884 1169526120 /nfs/dbraw/zinc/52/61/20/1169526120.db2.gz SDRHMCVTXBGTIV-IWSPIJDZSA-N 2 1 172.272 0.179 10 0 ACAEMP CC[N@H+]1CC[C@H](N2CCC[C@H]([NH3+])C2)C1 307565817 1169528097 /nfs/dbraw/zinc/52/80/97/1169528097.db2.gz MYNOLIXNFMCEMB-QWRGUYRKSA-N 2 1 197.326 0.504 10 0 ACAEMP CC[N@H+]1CC[C@@H](N2CCC[C@@H]([NH3+])C2)C1 307565549 1169528617 /nfs/dbraw/zinc/52/86/17/1169528617.db2.gz MYNOLIXNFMCEMB-GHMZBOCLSA-N 2 1 197.326 0.504 10 0 ACAEMP CC[N@H+]1CC[C@H](N2CCC[C@@H]([NH3+])C2)C1 307565815 1169528630 /nfs/dbraw/zinc/52/86/30/1169528630.db2.gz MYNOLIXNFMCEMB-MNOVXSKESA-N 2 1 197.326 0.504 10 0 ACAEMP CC[N@H+]1CC[C@@H](N2CCC[C@H]([NH3+])C2)C1 307565818 1169529506 /nfs/dbraw/zinc/52/95/06/1169529506.db2.gz MYNOLIXNFMCEMB-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP [NH3+]CCCC[N@@H+]1C[C@H]2C[C@H]2C1 307654528 1169535439 /nfs/dbraw/zinc/53/54/39/1169535439.db2.gz MRFITZOGMPDZKD-DTORHVGOSA-N 2 1 154.257 0.677 10 0 ACAEMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](O)C2)CC1 307747256 1169541646 /nfs/dbraw/zinc/54/16/46/1169541646.db2.gz YAYAVLFFWHFRCS-WDEREUQCSA-N 2 1 198.310 0.584 10 0 ACAEMP C[C@@H]1C[NH2+]CC[N@@H+](CCCCO)C1 323541096 1169558038 /nfs/dbraw/zinc/55/80/38/1169558038.db2.gz ONPIMAJDRSXZCU-SNVBAGLBSA-N 2 1 186.299 0.300 10 0 ACAEMP C[C@H]1C[NH2+]CC[N@@H+](CCCCO)C1 323541095 1169558456 /nfs/dbraw/zinc/55/84/56/1169558456.db2.gz ONPIMAJDRSXZCU-JTQLQIEISA-N 2 1 186.299 0.300 10 0 ACAEMP CC[C@H](C)[N@H+](CC[NH3+])CCO 379160612 1169565360 /nfs/dbraw/zinc/56/53/60/1169565360.db2.gz GWOBZWMWFVTKOD-QMMMGPOBSA-N 2 1 160.261 0.038 10 0 ACAEMP CC[C@H](C)[N@@H+](CC[NH3+])CCO 379160612 1169565362 /nfs/dbraw/zinc/56/53/62/1169565362.db2.gz GWOBZWMWFVTKOD-QMMMGPOBSA-N 2 1 160.261 0.038 10 0 ACAEMP CC[C@@H](C)[N@H+](CC[NH3+])CCO 379160611 1169566619 /nfs/dbraw/zinc/56/66/19/1169566619.db2.gz GWOBZWMWFVTKOD-MRVPVSSYSA-N 2 1 160.261 0.038 10 0 ACAEMP CC[C@@H](C)[N@@H+](CC[NH3+])CCO 379160611 1169566626 /nfs/dbraw/zinc/56/66/26/1169566626.db2.gz GWOBZWMWFVTKOD-MRVPVSSYSA-N 2 1 160.261 0.038 10 0 ACAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCCO 379320186 1169567972 /nfs/dbraw/zinc/56/79/72/1169567972.db2.gz VCKVBABOZNUISO-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCCO 379320186 1169567974 /nfs/dbraw/zinc/56/79/74/1169567974.db2.gz VCKVBABOZNUISO-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP COCCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 379321159 1169569881 /nfs/dbraw/zinc/56/98/81/1169569881.db2.gz ZZRGKPDKDZSSFN-RKDXNWHRSA-N 2 1 172.272 0.444 10 0 ACAEMP COCCC[N@H+]1CC[C@@H]([NH3+])[C@H]1C 379321159 1169569890 /nfs/dbraw/zinc/56/98/90/1169569890.db2.gz ZZRGKPDKDZSSFN-RKDXNWHRSA-N 2 1 172.272 0.444 10 0 ACAEMP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)C(C)(C)C 379368764 1169576366 /nfs/dbraw/zinc/57/63/66/1169576366.db2.gz ORDMLOXPIGBGOY-IUCAKERBSA-N 2 1 188.315 0.672 10 0 ACAEMP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)C(C)(C)C 379368764 1169576371 /nfs/dbraw/zinc/57/63/71/1169576371.db2.gz ORDMLOXPIGBGOY-IUCAKERBSA-N 2 1 188.315 0.672 10 0 ACAEMP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)C(C)(C)C 379368763 1169577376 /nfs/dbraw/zinc/57/73/76/1169577376.db2.gz ORDMLOXPIGBGOY-DTWKUNHWSA-N 2 1 188.315 0.672 10 0 ACAEMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)C(C)(C)C 379368763 1169577382 /nfs/dbraw/zinc/57/73/82/1169577382.db2.gz ORDMLOXPIGBGOY-DTWKUNHWSA-N 2 1 188.315 0.672 10 0 ACAEMP OCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 379493851 1169586729 /nfs/dbraw/zinc/58/67/29/1169586729.db2.gz VJTOSZFWTSSNPW-LLVKDONJSA-N 2 1 198.310 0.444 10 0 ACAEMP C[NH+]1CCC([NH2+][C@@H](CO)C2CC2)CC1 379564196 1169587348 /nfs/dbraw/zinc/58/73/48/1169587348.db2.gz AQTDESDPMOJOMR-NSHDSACASA-N 2 1 198.310 0.441 10 0 ACAEMP OCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 379493852 1169587402 /nfs/dbraw/zinc/58/74/02/1169587402.db2.gz VJTOSZFWTSSNPW-NSHDSACASA-N 2 1 198.310 0.444 10 0 ACAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCCO)C[C@@H]21 379623204 1169591355 /nfs/dbraw/zinc/59/13/55/1169591355.db2.gz HPUAIMHLCJYIJE-OUAUKWLOSA-N 2 1 198.310 0.428 10 0 ACAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCCO)C[C@@H]12 379623202 1169591419 /nfs/dbraw/zinc/59/14/19/1169591419.db2.gz HPUAIMHLCJYIJE-HBNTYKKESA-N 2 1 198.310 0.428 10 0 ACAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCCO)C[C@H]12 379623198 1169591778 /nfs/dbraw/zinc/59/17/78/1169591778.db2.gz HPUAIMHLCJYIJE-GARJFASQSA-N 2 1 198.310 0.428 10 0 ACAEMP OCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 379647645 1169592314 /nfs/dbraw/zinc/59/23/14/1169592314.db2.gz ZWPXJMVUEUAXFB-WDEREUQCSA-N 2 1 198.310 0.443 10 0 ACAEMP OCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 379647643 1169592532 /nfs/dbraw/zinc/59/25/32/1169592532.db2.gz ZWPXJMVUEUAXFB-MNOVXSKESA-N 2 1 198.310 0.443 10 0 ACAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCCO)C[C@H]21 379623199 1169592903 /nfs/dbraw/zinc/59/29/03/1169592903.db2.gz HPUAIMHLCJYIJE-GMTAPVOTSA-N 2 1 198.310 0.428 10 0 ACAEMP OCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 379647642 1169592930 /nfs/dbraw/zinc/59/29/30/1169592930.db2.gz ZWPXJMVUEUAXFB-GHMZBOCLSA-N 2 1 198.310 0.443 10 0 ACAEMP OCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 379647644 1169593752 /nfs/dbraw/zinc/59/37/52/1169593752.db2.gz ZWPXJMVUEUAXFB-QWRGUYRKSA-N 2 1 198.310 0.443 10 0 ACAEMP C[C@@]1(CO)CC[N@@H+](CCCC[NH3+])C1 381418957 1169596359 /nfs/dbraw/zinc/59/63/59/1169596359.db2.gz ZXQCLCGUEXWGEV-SNVBAGLBSA-N 2 1 186.299 0.430 10 0 ACAEMP C[C@]1(CO)CC[N@@H+](CCCC[NH3+])C1 381418956 1169597470 /nfs/dbraw/zinc/59/74/70/1169597470.db2.gz ZXQCLCGUEXWGEV-JTQLQIEISA-N 2 1 186.299 0.430 10 0 ACAEMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CCCCO 381594676 1169598015 /nfs/dbraw/zinc/59/80/15/1169598015.db2.gz MCDVQIOGDNTBDC-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCCCO 381594676 1169598021 /nfs/dbraw/zinc/59/80/21/1169598021.db2.gz MCDVQIOGDNTBDC-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@H]1C[NH2+]CCC[N@H+]1CCCCO 382755821 1169604782 /nfs/dbraw/zinc/60/47/82/1169604782.db2.gz NZKPFLRONNAJHB-JTQLQIEISA-N 2 1 186.299 0.443 10 0 ACAEMP C[C@@H]1CC[N@H+](CCCCO)CC[NH2+]1 382752747 1169605001 /nfs/dbraw/zinc/60/50/01/1169605001.db2.gz ISBGKRRLUZLMOO-SNVBAGLBSA-N 2 1 186.299 0.443 10 0 ACAEMP C[C@@H]1CC[N@@H+](CCCCO)CC[NH2+]1 382752747 1169605003 /nfs/dbraw/zinc/60/50/03/1169605003.db2.gz ISBGKRRLUZLMOO-SNVBAGLBSA-N 2 1 186.299 0.443 10 0 ACAEMP C[N@@H+](CCCCO)C[C@@H]1CC[NH2+]C1 382758412 1169605415 /nfs/dbraw/zinc/60/54/15/1169605415.db2.gz SYWKTYQASPKZOX-SNVBAGLBSA-N 2 1 186.299 0.300 10 0 ACAEMP C[N@@H+](CCCCO)C[C@H]1CC[NH2+]C1 382758411 1169605712 /nfs/dbraw/zinc/60/57/12/1169605712.db2.gz SYWKTYQASPKZOX-JTQLQIEISA-N 2 1 186.299 0.300 10 0 ACAEMP C[C@H]1CC[N@H+](CCCCO)CC[NH2+]1 382752746 1169606042 /nfs/dbraw/zinc/60/60/42/1169606042.db2.gz ISBGKRRLUZLMOO-JTQLQIEISA-N 2 1 186.299 0.443 10 0 ACAEMP C[C@H]1CC[N@@H+](CCCCO)CC[NH2+]1 382752746 1169606045 /nfs/dbraw/zinc/60/60/45/1169606045.db2.gz ISBGKRRLUZLMOO-JTQLQIEISA-N 2 1 186.299 0.443 10 0 ACAEMP C[N@H+](CCCC[NH3+])Cc1ncccn1 385214675 1169610674 /nfs/dbraw/zinc/61/06/74/1169610674.db2.gz YTUBSDKBDRLKIN-UHFFFAOYSA-N 2 1 194.282 0.647 10 0 ACAEMP C[N@@H+](CCCC[NH3+])Cc1ncccn1 385214675 1169610681 /nfs/dbraw/zinc/61/06/81/1169610681.db2.gz YTUBSDKBDRLKIN-UHFFFAOYSA-N 2 1 194.282 0.647 10 0 ACAEMP C[N@@H+](CCCC[NH3+])[C@@H]1CCCOC1 385078220 1169610931 /nfs/dbraw/zinc/61/09/31/1169610931.db2.gz JCFYLRNRESKCJL-SNVBAGLBSA-N 2 1 186.299 0.836 10 0 ACAEMP C[NH+]1CCC([NH2+]C[C@H](O)CF)CC1 386199397 1169611074 /nfs/dbraw/zinc/61/10/74/1169611074.db2.gz RIMGFQDSPBPUTL-SECBINFHSA-N 2 1 190.262 0.001 10 0 ACAEMP C[C@@H]1C[C@@H](O)C[N@H+]1CCCC[NH3+] 385037654 1169611173 /nfs/dbraw/zinc/61/11/73/1169611173.db2.gz PMSMKAYLXHDYLM-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@@H+](CCCC[NH3+])[C@H]1CCCOC1 385078218 1169611603 /nfs/dbraw/zinc/61/16/03/1169611603.db2.gz JCFYLRNRESKCJL-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP C[C@@H]1[C@H](CO)CC[N@H+]1CCCC[NH3+] 385940351 1169611680 /nfs/dbraw/zinc/61/16/80/1169611680.db2.gz LKLLPTQRSONKOS-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@@H]1C[C@H](O)C[N@H+]1CCCC[NH3+] 385037651 1169611748 /nfs/dbraw/zinc/61/17/48/1169611748.db2.gz PMSMKAYLXHDYLM-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[NH+]1CCC([NH2+]C[C@@H](O)CF)CC1 386199398 1169611775 /nfs/dbraw/zinc/61/17/75/1169611775.db2.gz RIMGFQDSPBPUTL-VIFPVBQESA-N 2 1 190.262 0.001 10 0 ACAEMP C[C@H]1C[N@@H+](CCCC[NH3+])C[C@H]1O 387642542 1169616197 /nfs/dbraw/zinc/61/61/97/1169616197.db2.gz AMPWRCZSUGKVLS-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@H]1C[N@@H+](CCCC[NH3+])C[C@@H]1O 387642543 1169616987 /nfs/dbraw/zinc/61/69/87/1169616987.db2.gz AMPWRCZSUGKVLS-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] 388131577 1169618999 /nfs/dbraw/zinc/61/89/99/1169618999.db2.gz UCESSWFMRSSOIY-JGVFFNPUSA-N 2 1 160.261 0.036 10 0 ACAEMP CC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] 388131577 1169619002 /nfs/dbraw/zinc/61/90/02/1169619002.db2.gz UCESSWFMRSSOIY-JGVFFNPUSA-N 2 1 160.261 0.036 10 0 ACAEMP COCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 388621785 1169629199 /nfs/dbraw/zinc/62/91/99/1169629199.db2.gz HNZVGZGWXKRLFK-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCCCO 388575658 1169628801 /nfs/dbraw/zinc/62/88/01/1169628801.db2.gz BFAGWNWQWZBJNQ-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCCCO 388575658 1169628805 /nfs/dbraw/zinc/62/88/05/1169628805.db2.gz BFAGWNWQWZBJNQ-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP COCCCC[N@H+]1CC[C@@H]([NH3+])[C@H]1C 388621785 1169629201 /nfs/dbraw/zinc/62/92/01/1169629201.db2.gz HNZVGZGWXKRLFK-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCO)C1 388796441 1169633497 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1 172.272 0.180 10 0 ACAEMP CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1[C@@H]1CCOC1 712151474 571717229 /nfs/dbraw/zinc/71/72/29/571717229.db2.gz LBMRQSDXKVQXOK-MXWKQRLJSA-N 2 1 198.310 0.705 10 0 ACAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1[C@@H]1CCOC1 712151474 571717231 /nfs/dbraw/zinc/71/72/31/571717231.db2.gz LBMRQSDXKVQXOK-MXWKQRLJSA-N 2 1 198.310 0.705 10 0 ACAEMP C[N@@H+](CC1(O)CC1)[C@H]1CCC[NH2+]CC1 214116744 571717306 /nfs/dbraw/zinc/71/73/06/571717306.db2.gz PHSLSXWQYDSSGT-JTQLQIEISA-N 2 1 198.310 0.585 10 0 ACAEMP C[NH2+][C@H]1CCCC[N@@H+](CC2(O)CC2)C1 214117537 571717379 /nfs/dbraw/zinc/71/73/79/571717379.db2.gz DHVSVPMTJCUBFZ-JTQLQIEISA-N 2 1 198.310 0.585 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@@H+](CCC2(O)CC2)C1 214119103 571717406 /nfs/dbraw/zinc/71/74/06/571717406.db2.gz QUERCWSULFFTRR-SNVBAGLBSA-N 2 1 198.310 0.572 10 0 ACAEMP CC[NH2+][C@H](CO)CC[N@@H+](C)C(C)C 84845325 571717458 /nfs/dbraw/zinc/71/74/58/571717458.db2.gz HBQVMKRSQIDMTL-JTQLQIEISA-N 2 1 188.315 0.687 10 0 ACAEMP 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/nfs/dbraw/zinc/74/40/22/571744022.db2.gz ZSLWHWPXJWIYLV-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP [NH3+]C[C@H]([NH2+]C1CCC1)[C@H]1CCOC1 712333603 571744241 /nfs/dbraw/zinc/74/42/41/571744241.db2.gz IIDIKOQAEOFDLC-WPRPVWTQSA-N 2 1 184.283 0.492 10 0 ACAEMP C[C@H]1COCC[C@@]1(C[NH3+])[NH2+]C1CCC1 712357008 571748336 /nfs/dbraw/zinc/74/83/36/571748336.db2.gz HOMFVAGELBADLT-ONGXEEELSA-N 2 1 198.310 0.882 10 0 ACAEMP C[C@@H]([NH3+])C[NH2+]CCOC(F)F 398199403 571748211 /nfs/dbraw/zinc/74/82/11/571748211.db2.gz BCZYTMZYSBPTOH-RXMQYKEDSA-N 2 1 168.187 0.162 10 0 ACAEMP C[C@@H](CC[NH3+])[NH2+]Cc1cc[nH]n1 220501925 571747771 /nfs/dbraw/zinc/74/77/71/571747771.db2.gz PDSGKOHZARHQIE-ZETCQYMHSA-N 2 1 168.244 0.237 10 0 ACAEMP [NH3+]C1CC[NH+](CCOC(F)F)CC1 398199217 571748156 /nfs/dbraw/zinc/74/81/56/571748156.db2.gz WZYBHRUAPMPAFH-UHFFFAOYSA-N 2 1 194.225 0.649 10 0 ACAEMP C[N@H+]1CCC[C@H]1[C@@H](C[NH3+])N1CCC1 214358080 571750336 /nfs/dbraw/zinc/75/03/36/571750336.db2.gz GRCXYZUZLSYGJK-VHSXEESVSA-N 2 1 183.299 0.114 10 0 ACAEMP CCN([C@H]1CC[N@@H+](C)C1)[C@H](C)C[NH3+] 250084676 571750985 /nfs/dbraw/zinc/75/09/85/571750985.db2.gz VKVHGVWJVPPYRY-ZJUUUORDSA-N 2 1 185.315 0.360 10 0 ACAEMP CCN([C@H](C)C[NH3+])[C@@H]1CC[N@@H+](C)C1 250084673 571751541 /nfs/dbraw/zinc/75/15/41/571751541.db2.gz VKVHGVWJVPPYRY-NXEZZACHSA-N 2 1 185.315 0.360 10 0 ACAEMP NC[C@H](C1CC[NH2+]CC1)[NH+]1CCC1 214357690 571751727 /nfs/dbraw/zinc/75/17/27/571751727.db2.gz BDDUQLKRXOTMHY-SNVBAGLBSA-N 2 1 183.299 0.019 10 0 ACAEMP [NH3+]C[C@H](C1CC[NH2+]CC1)[NH+]1CCC1 214357690 571751729 /nfs/dbraw/zinc/75/17/29/571751729.db2.gz BDDUQLKRXOTMHY-SNVBAGLBSA-N 3 1 183.299 0.019 10 0 ACAEMP C[C@H](CC[NH3+])[NH2+]Cc1cnc[nH]1 220541362 571751907 /nfs/dbraw/zinc/75/19/07/571751907.db2.gz OLQKVPCMNHZXFX-SSDOTTSWSA-N 2 1 168.244 0.237 10 0 ACAEMP NC[C@@H](C1CC[NH2+]CC1)[NH+]1CCC1 214357631 571752779 /nfs/dbraw/zinc/75/27/79/571752779.db2.gz BDDUQLKRXOTMHY-JTQLQIEISA-N 2 1 183.299 0.019 10 0 ACAEMP [NH3+]C[C@@H](C1CC[NH2+]CC1)[NH+]1CCC1 214357631 571752784 /nfs/dbraw/zinc/75/27/84/571752784.db2.gz BDDUQLKRXOTMHY-JTQLQIEISA-N 3 1 183.299 0.019 10 0 ACAEMP CN(C)[C@H](CN)[C@@H]1CCCC[N@H+]1C 214426733 571754597 /nfs/dbraw/zinc/75/45/97/571754597.db2.gz ZTZJQQXDMNYXSH-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP CCN([C@H](C)C[NH3+])[C@@H]1CCC[N@@H+](C)C1 250093028 571753465 /nfs/dbraw/zinc/75/34/65/571753465.db2.gz XHBVLBYTHKAABI-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP CN(C)[C@H](C[NH3+])[C@@H]1CCCC[N@@H+]1C 214426733 571754599 /nfs/dbraw/zinc/75/45/99/571754599.db2.gz ZTZJQQXDMNYXSH-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP CCN([C@H]1CCC[N@@H+](C)C1)[C@H](C)C[NH3+] 250093408 571753480 /nfs/dbraw/zinc/75/34/80/571753480.db2.gz XHBVLBYTHKAABI-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP CC[N@@H+](C)C[C@@H]1CN(C)CC[C@H]1[NH3+] 250095872 571753742 /nfs/dbraw/zinc/75/37/42/571753742.db2.gz XSVQKPHKSMFWSN-NXEZZACHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@@H]1C[C@H]1C[NH2+]C1(C[NH3+])CC1 235302884 571755180 /nfs/dbraw/zinc/75/51/80/571755180.db2.gz UYFXIFMSUVLWLK-SFYZADRCSA-N 2 1 154.257 0.723 10 0 ACAEMP CN(C)[C@H](CN)[C@H]1CCCC[N@H+]1C 214426671 571755582 /nfs/dbraw/zinc/75/55/82/571755582.db2.gz ZTZJQQXDMNYXSH-NXEZZACHSA-N 2 1 185.315 0.360 10 0 ACAEMP CN(C)[C@H](C[NH3+])[C@H]1CCCC[N@@H+]1C 214426671 571755584 /nfs/dbraw/zinc/75/55/84/571755584.db2.gz ZTZJQQXDMNYXSH-NXEZZACHSA-N 2 1 185.315 0.360 10 0 ACAEMP CC[N@@H+](C)C[C@H]1CN(C)CC[C@H]1[NH3+] 250095874 571755811 /nfs/dbraw/zinc/75/58/11/571755811.db2.gz XSVQKPHKSMFWSN-VHSXEESVSA-N 2 1 185.315 0.217 10 0 ACAEMP C[NH2+]CCC[N@H+]1C[C@@H]2C[C@H](C1)S2 214463380 571756908 /nfs/dbraw/zinc/75/69/08/571756908.db2.gz WQNJPOMKGJJVDV-DTORHVGOSA-N 2 1 186.324 0.786 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 70821812 571757871 /nfs/dbraw/zinc/75/78/71/571757871.db2.gz BFNKNRYFTMOFAE-GARJFASQSA-N 2 1 199.342 0.606 10 0 ACAEMP CN(CCC[NH3+])C[C@@H]1CC[N@@H+](C)C1 70821582 571757994 /nfs/dbraw/zinc/75/79/94/571757994.db2.gz OOHGNVXGAJJBJQ-JTQLQIEISA-N 2 1 185.315 0.219 10 0 ACAEMP C[C@H]([NH3+])CN(C)C[C@@H]1CC[N@@H+](C)C1 70821723 571758131 /nfs/dbraw/zinc/75/81/31/571758131.db2.gz HTKHJQBOPMAFKR-VHSXEESVSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@H]([NH3+])CCN(C)C[C@@H]1CC[N@@H+](C)C1 70821772 571758348 /nfs/dbraw/zinc/75/83/48/571758348.db2.gz BNOGHMPYALXYKF-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@H](CC[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 70821563 571758385 /nfs/dbraw/zinc/75/83/85/571758385.db2.gz HPUJDVDZXZPGAP-GHMZBOCLSA-N 2 1 199.342 0.607 10 0 ACAEMP CC[NH2+]CCN(C)C[C@H]1CC[N@@H+](C)C1 70821729 571758425 /nfs/dbraw/zinc/75/84/25/571758425.db2.gz GEOQAHATZZLCLE-NSHDSACASA-N 2 1 199.342 0.479 10 0 ACAEMP C[NH+]1CC[C@H](C[N@@H+](C)CCCC[NH3+])C1 70821585 571758513 /nfs/dbraw/zinc/75/85/13/571758513.db2.gz JLMJRKQGPFMZAU-LLVKDONJSA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH+](CCCC[NH3+])C[C@H]1CC[N@H+](C)C1 70821585 571758517 /nfs/dbraw/zinc/75/85/17/571758517.db2.gz JLMJRKQGPFMZAU-LLVKDONJSA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH+](CCCC[NH3+])C[C@H]1CC[N@@H+](C)C1 70821585 571758521 /nfs/dbraw/zinc/75/85/21/571758521.db2.gz JLMJRKQGPFMZAU-LLVKDONJSA-N 3 1 199.342 0.609 10 0 ACAEMP CN1CC[C@H](C[N@H+](C)CCCC[NH3+])C1 70821585 571758530 /nfs/dbraw/zinc/75/85/30/571758530.db2.gz JLMJRKQGPFMZAU-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP CN1CC[C@H](C[N@@H+](C)CCCC[NH3+])C1 70821585 571758536 /nfs/dbraw/zinc/75/85/36/571758536.db2.gz JLMJRKQGPFMZAU-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP CC[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 70821577 571758550 /nfs/dbraw/zinc/75/85/50/571758550.db2.gz OYRZHRQPDOUEDC-MNOVXSKESA-N 2 1 199.342 0.607 10 0 ACAEMP [NH3+]C[C@@H]1C[C@H]2CCC[C@@H]2[NH2+]1 205151363 571758571 /nfs/dbraw/zinc/75/85/71/571758571.db2.gz FHJKNPJFTIYTMS-CSMHCCOUSA-N 2 1 140.230 0.476 10 0 ACAEMP CCNC(=[NH2+])N(C)C[C@@H]1CC[N@@H+](C)C1 70823192 571758608 /nfs/dbraw/zinc/75/86/08/571758608.db2.gz DDTLTGPQNKZGGN-SECBINFHSA-N 2 1 198.314 0.414 10 0 ACAEMP C[NH+]1CC[C@@H](C[N@@H+](C)CCCC[NH3+])C1 70821587 571758674 /nfs/dbraw/zinc/75/86/74/571758674.db2.gz JLMJRKQGPFMZAU-NSHDSACASA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH+](CCCC[NH3+])C[C@@H]1CC[N@H+](C)C1 70821587 571758676 /nfs/dbraw/zinc/75/86/76/571758676.db2.gz JLMJRKQGPFMZAU-NSHDSACASA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH+](CCCC[NH3+])C[C@@H]1CC[N@@H+](C)C1 70821587 571758678 /nfs/dbraw/zinc/75/86/78/571758678.db2.gz JLMJRKQGPFMZAU-NSHDSACASA-N 3 1 199.342 0.609 10 0 ACAEMP CN1CC[C@@H](C[N@H+](C)CCCC[NH3+])C1 70821587 571758682 /nfs/dbraw/zinc/75/86/82/571758682.db2.gz JLMJRKQGPFMZAU-NSHDSACASA-N 2 1 199.342 0.609 10 0 ACAEMP CN1CC[C@@H](C[N@@H+](C)CCCC[NH3+])C1 70821587 571758685 /nfs/dbraw/zinc/75/86/85/571758685.db2.gz JLMJRKQGPFMZAU-NSHDSACASA-N 2 1 199.342 0.609 10 0 ACAEMP C[C@@H](C[NH3+])CN(C)C[C@@H]1CC[N@@H+](C)C1 70821589 571758751 /nfs/dbraw/zinc/75/87/51/571758751.db2.gz OIBNTCZUDFFXGN-WDEREUQCSA-N 2 1 199.342 0.465 10 0 ACAEMP C[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 70823569 571758785 /nfs/dbraw/zinc/75/87/85/571758785.db2.gz SZXRGSMICXOHEG-WDEREUQCSA-N 2 1 199.342 0.478 10 0 ACAEMP C[C@@H]([NH3+])[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 70821810 571758919 /nfs/dbraw/zinc/75/89/19/571758919.db2.gz BFNKNRYFTMOFAE-GMTAPVOTSA-N 2 1 199.342 0.606 10 0 ACAEMP CC[C@H]([NH3+])CN(C)C[C@@H]1CC[N@@H+](C)C1 70821792 571758929 /nfs/dbraw/zinc/75/89/29/571758929.db2.gz XSNWFDHZCOARGF-MNOVXSKESA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 70821808 571758991 /nfs/dbraw/zinc/75/89/91/571758991.db2.gz BFNKNRYFTMOFAE-HBNTYKKESA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@@H]([NH3+])CN(C)C[C@@H]1CC[N@@H+](C)C1 70821724 571759089 /nfs/dbraw/zinc/75/90/89/571759089.db2.gz HTKHJQBOPMAFKR-NXEZZACHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[NH2+]CCCN(C)C[C@H]1CC[N@@H+](C)C1 70821822 571759217 /nfs/dbraw/zinc/75/92/17/571759217.db2.gz WGMIJRWVYKYIGD-LLVKDONJSA-N 2 1 199.342 0.479 10 0 ACAEMP C[C@@H](CC[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 70821560 571759306 /nfs/dbraw/zinc/75/93/06/571759306.db2.gz HPUJDVDZXZPGAP-WDEREUQCSA-N 2 1 199.342 0.607 10 0 ACAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(C)(C)C[NH3+] 70821694 571759402 /nfs/dbraw/zinc/75/94/02/571759402.db2.gz RGACAVNVBUWYCP-JTQLQIEISA-N 2 1 199.342 0.607 10 0 ACAEMP CCOC(=O)[C@H]([NH3+])CCCC[NH2+]C 14584044 571759474 /nfs/dbraw/zinc/75/94/74/571759474.db2.gz KKEOURANYXKLEG-MRVPVSSYSA-N 2 1 188.271 0.267 10 0 ACAEMP CC[NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1 70821728 571759510 /nfs/dbraw/zinc/75/95/10/571759510.db2.gz GEOQAHATZZLCLE-LLVKDONJSA-N 2 1 199.342 0.479 10 0 ACAEMP C[NH2+]CCCN(C)C[C@@H]1CC[N@@H+](C)C1 70821818 571759540 /nfs/dbraw/zinc/75/95/40/571759540.db2.gz WGMIJRWVYKYIGD-NSHDSACASA-N 2 1 199.342 0.479 10 0 ACAEMP CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C 14584042 571759576 /nfs/dbraw/zinc/75/95/76/571759576.db2.gz KKEOURANYXKLEG-QMMMGPOBSA-N 2 1 188.271 0.267 10 0 ACAEMP CC[C@@H]([NH3+])CN(C)C[C@@H]1CC[N@@H+](C)C1 70821795 571759615 /nfs/dbraw/zinc/75/96/15/571759615.db2.gz XSNWFDHZCOARGF-GHMZBOCLSA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@@H](C(N)=[NH2+])N(C)C[C@@H]1CC[N@@H+](C)C1 70822278 571759687 /nfs/dbraw/zinc/75/96/87/571759687.db2.gz VRGBJVCTIWWNFZ-DTWKUNHWSA-N 2 1 198.314 0.194 10 0 ACAEMP CN(CCC(N)=[NH2+])C[C@H]1CC[N@@H+](C)C1 70822256 571759733 /nfs/dbraw/zinc/75/97/33/571759733.db2.gz PTXYBUAYSHINRF-VIFPVBQESA-N 2 1 198.314 0.196 10 0 ACAEMP CC[C@@H](C)[NH2+]C1(C[NH3+])CC1 233860918 571759759 /nfs/dbraw/zinc/75/97/59/571759759.db2.gz SOMRMQFIGQNQGF-SSDOTTSWSA-N 2 1 142.246 0.866 10 0 ACAEMP C[C@@H]([NH3+])CCN(C)C[C@@H]1CC[N@@H+](C)C1 70821775 571759789 /nfs/dbraw/zinc/75/97/89/571759789.db2.gz BNOGHMPYALXYKF-MNOVXSKESA-N 2 1 199.342 0.607 10 0 ACAEMP C[NH2+]CCN(C)C[C@H]1CC[N@@H+](C)C1 70821749 571759817 /nfs/dbraw/zinc/75/98/17/571759817.db2.gz VHYWKCGUWXHXFR-JTQLQIEISA-N 2 1 185.315 0.089 10 0 ACAEMP C[NH+]1CC[C@H](C[N@@H+](C)CCCO)C1 70822809 571759892 /nfs/dbraw/zinc/75/98/92/571759892.db2.gz PIZKWGSDDPYUQZ-SNVBAGLBSA-N 2 1 186.299 0.252 10 0 ACAEMP C[NH+](CCCO)C[C@H]1CC[N@H+](C)C1 70822809 571759896 /nfs/dbraw/zinc/75/98/96/571759896.db2.gz PIZKWGSDDPYUQZ-SNVBAGLBSA-N 2 1 186.299 0.252 10 0 ACAEMP C[NH+](CCCO)C[C@H]1CC[N@@H+](C)C1 70822809 571759899 /nfs/dbraw/zinc/75/98/99/571759899.db2.gz PIZKWGSDDPYUQZ-SNVBAGLBSA-N 2 1 186.299 0.252 10 0 ACAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C[NH3+] 70821693 571760042 /nfs/dbraw/zinc/76/00/42/571760042.db2.gz RGACAVNVBUWYCP-SNVBAGLBSA-N 2 1 199.342 0.607 10 0 ACAEMP CCNC(=[NH2+])N(C)C[C@H]1CC[N@@H+](C)C1 70823193 571760088 /nfs/dbraw/zinc/76/00/88/571760088.db2.gz DDTLTGPQNKZGGN-VIFPVBQESA-N 2 1 198.314 0.414 10 0 ACAEMP CN(CCC[NH3+])C[C@H]1CC[N@@H+](C)C1 70821581 571760102 /nfs/dbraw/zinc/76/01/02/571760102.db2.gz OOHGNVXGAJJBJQ-SNVBAGLBSA-N 2 1 185.315 0.219 10 0 ACAEMP C[NH+](CCCO)C[C@@H]1CC[N@H+](C)C1 70822813 571760775 /nfs/dbraw/zinc/76/07/75/571760775.db2.gz PIZKWGSDDPYUQZ-JTQLQIEISA-N 2 1 186.299 0.252 10 0 ACAEMP C[C@H](C[NH3+])CN(C)C[C@@H]1CC[N@@H+](C)C1 70821591 571760197 /nfs/dbraw/zinc/76/01/97/571760197.db2.gz OIBNTCZUDFFXGN-GHMZBOCLSA-N 2 1 199.342 0.465 10 0 ACAEMP C[C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 70821815 571760238 /nfs/dbraw/zinc/76/02/38/571760238.db2.gz BFNKNRYFTMOFAE-OUAUKWLOSA-N 2 1 199.342 0.606 10 0 ACAEMP CC[C@H](C[NH3+])N(C)C[C@@H]1CC[N@@H+](C)C1 70821579 571760505 /nfs/dbraw/zinc/76/05/05/571760505.db2.gz OYRZHRQPDOUEDC-GHMZBOCLSA-N 2 1 199.342 0.607 10 0 ACAEMP C[NH+]1CC[C@@H](C[N@@H+](C)CCCO)C1 70822813 571760773 /nfs/dbraw/zinc/76/07/73/571760773.db2.gz PIZKWGSDDPYUQZ-JTQLQIEISA-N 2 1 186.299 0.252 10 0 ACAEMP C[NH+](CCCO)C[C@@H]1CC[N@@H+](C)C1 70822813 571760781 /nfs/dbraw/zinc/76/07/81/571760781.db2.gz PIZKWGSDDPYUQZ-JTQLQIEISA-N 2 1 186.299 0.252 10 0 ACAEMP C[NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)C1 70821747 571760947 /nfs/dbraw/zinc/76/09/47/571760947.db2.gz VHYWKCGUWXHXFR-SNVBAGLBSA-N 2 1 185.315 0.089 10 0 ACAEMP C[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 70823571 571760959 /nfs/dbraw/zinc/76/09/59/571760959.db2.gz SZXRGSMICXOHEG-GHMZBOCLSA-N 2 1 199.342 0.478 10 0 ACAEMP C[C@H](C(N)=[NH2+])N(C)C[C@@H]1CC[N@@H+](C)C1 70822281 571761169 /nfs/dbraw/zinc/76/11/69/571761169.db2.gz VRGBJVCTIWWNFZ-RKDXNWHRSA-N 2 1 198.314 0.194 10 0 ACAEMP CC[N@@H+](C)CC(C)(C)C(N)=[NH2+] 17533331 571762172 /nfs/dbraw/zinc/76/21/72/571762172.db2.gz JEGNTPGHGYDLLP-UHFFFAOYSA-N 2 1 157.261 0.900 10 0 ACAEMP C[N@H+]1CCC[C@@H]2[C@@H](C[NH3+])[C@@H]21 26307267 571763585 /nfs/dbraw/zinc/76/35/85/571763585.db2.gz SSKRSOPYTCTHGF-BWZBUEFSSA-N 2 1 140.230 0.285 10 0 ACAEMP COC[C@H]1CC[N@H+]([C@H](CN)C2CC2)C1 250485099 571764209 /nfs/dbraw/zinc/76/42/09/571764209.db2.gz YPDHTYHUIASNTI-GXSJLCMTSA-N 2 1 198.310 0.692 10 0 ACAEMP COC[C@H]1CC[N@@H+]([C@H](C[NH3+])C2CC2)C1 250485099 571764214 /nfs/dbraw/zinc/76/42/14/571764214.db2.gz YPDHTYHUIASNTI-GXSJLCMTSA-N 2 1 198.310 0.692 10 0 ACAEMP COC(=O)CC[N@@H+](C)[C@@H](C)CC[NH3+] 71048843 571769353 /nfs/dbraw/zinc/76/93/53/571769353.db2.gz FWCMHEBKIGNQMH-QMMMGPOBSA-N 2 1 188.271 0.219 10 0 ACAEMP COC[C@@H]1CC[N@H+]([C@H](CN)C2CC2)C1 250485101 571766067 /nfs/dbraw/zinc/76/60/67/571766067.db2.gz YPDHTYHUIASNTI-MWLCHTKSSA-N 2 1 198.310 0.692 10 0 ACAEMP COC[C@@H]1CC[N@@H+]([C@H](C[NH3+])C2CC2)C1 250485101 571766072 /nfs/dbraw/zinc/76/60/72/571766072.db2.gz YPDHTYHUIASNTI-MWLCHTKSSA-N 2 1 198.310 0.692 10 0 ACAEMP C[N@H+]1CC[C@]2(CCC[C@H](C[NH3+])O2)C1 686232616 571767118 /nfs/dbraw/zinc/76/71/18/571767118.db2.gz CZOGFTZZZBAWMB-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1C1CC1 18035225 571767180 /nfs/dbraw/zinc/76/71/80/571767180.db2.gz VWXSYLJAOKOQNQ-IUCAKERBSA-N 2 1 154.257 0.675 10 0 ACAEMP CC[C@@H](C[NH3+])[N@H+](C)CCC(=O)OC 71048871 571767194 /nfs/dbraw/zinc/76/71/94/571767194.db2.gz KCGIKGGLWKCRSV-QMMMGPOBSA-N 2 1 188.271 0.219 10 0 ACAEMP CC[C@@H](C[NH3+])[N@@H+](C)CCC(=O)OC 71048871 571767198 /nfs/dbraw/zinc/76/71/98/571767198.db2.gz KCGIKGGLWKCRSV-QMMMGPOBSA-N 2 1 188.271 0.219 10 0 ACAEMP COC(=O)CC[N@@H+](C)[C@H](C)CC[NH3+] 71048846 571767265 /nfs/dbraw/zinc/76/72/65/571767265.db2.gz FWCMHEBKIGNQMH-MRVPVSSYSA-N 2 1 188.271 0.219 10 0 ACAEMP CC[N@H+](CCC(=O)OC)[C@@H](C)C[NH3+] 71048415 571767282 /nfs/dbraw/zinc/76/72/82/571767282.db2.gz UAJKDRLGCWCDSH-QMMMGPOBSA-N 2 1 188.271 0.219 10 0 ACAEMP CC[N@@H+](CCC(=O)OC)[C@@H](C)C[NH3+] 71048415 571767285 /nfs/dbraw/zinc/76/72/85/571767285.db2.gz UAJKDRLGCWCDSH-QMMMGPOBSA-N 2 1 188.271 0.219 10 0 ACAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1[C@@H]1CCCOC1 71014068 571767379 /nfs/dbraw/zinc/76/73/79/571767379.db2.gz JNAPFQHMEOITCD-GARJFASQSA-N 2 1 198.310 0.977 10 0 ACAEMP CC(C)C[N@H+](C)[C@]1(C[NH3+])CCOC1 70970115 571771902 /nfs/dbraw/zinc/77/19/02/571771902.db2.gz QYLXSCWOKQIVED-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP COCC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 259377382 571767518 /nfs/dbraw/zinc/76/75/18/571767518.db2.gz VTTNWPKXFVGRNE-SECBINFHSA-N 2 1 186.299 0.692 10 0 ACAEMP COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C[NH3+] 71048923 571767789 /nfs/dbraw/zinc/76/77/89/571767789.db2.gz XYUSNYCSLOSNSZ-SFYZADRCSA-N 2 1 188.271 0.075 10 0 ACAEMP COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C[NH3+] 71048923 571767790 /nfs/dbraw/zinc/76/77/90/571767790.db2.gz XYUSNYCSLOSNSZ-SFYZADRCSA-N 2 1 188.271 0.075 10 0 ACAEMP COC(=O)CC[N@@H+](C)CCCC[NH3+] 71048821 571767900 /nfs/dbraw/zinc/76/79/00/571767900.db2.gz WOQOGQCNGDWMQG-UHFFFAOYSA-N 2 1 188.271 0.220 10 0 ACAEMP CC[N@@H+](C(C)C)[C@]1(C[NH3+])CCOC1 70970066 571773591 /nfs/dbraw/zinc/77/35/91/571773591.db2.gz GIGUEORJIQYOCH-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@H+]1CC[C@@]2(CCC[C@@H](C[NH3+])O2)C1 686232617 571768073 /nfs/dbraw/zinc/76/80/73/571768073.db2.gz CZOGFTZZZBAWMB-UWVGGRQHSA-N 2 1 184.283 0.589 10 0 ACAEMP COC(=O)CC[N@@H+](C)C[C@@H](C)C[NH3+] 71048823 571769397 /nfs/dbraw/zinc/76/93/97/571769397.db2.gz PJEVKTWFVHNNAG-QMMMGPOBSA-N 2 1 188.271 0.076 10 0 ACAEMP C[NH2+][C@H](C[NH3+])CC(C)(C)OC 234447181 571768673 /nfs/dbraw/zinc/76/86/73/571768673.db2.gz FCVZVOQBKOQCFQ-ZETCQYMHSA-N 2 1 160.261 0.348 10 0 ACAEMP CC[N@H+](CCC(=O)OC)[C@H](C)C[NH3+] 71048418 571768728 /nfs/dbraw/zinc/76/87/28/571768728.db2.gz UAJKDRLGCWCDSH-MRVPVSSYSA-N 2 1 188.271 0.219 10 0 ACAEMP CC[N@@H+](CCC(=O)OC)[C@H](C)C[NH3+] 71048418 571768741 /nfs/dbraw/zinc/76/87/41/571768741.db2.gz UAJKDRLGCWCDSH-MRVPVSSYSA-N 2 1 188.271 0.219 10 0 ACAEMP C1C[C@H]2[C@H](NCC3C[NH2+]C3)CC[N@H+]2C1 710838062 571772003 /nfs/dbraw/zinc/77/20/03/571772003.db2.gz IOSPUIJZQNQQRM-MNOVXSKESA-N 2 1 195.310 0.032 10 0 ACAEMP C[N@H+]1CC[C@@]2(CCC[C@H](C[NH3+])O2)C1 686232619 571768934 /nfs/dbraw/zinc/76/89/34/571768934.db2.gz CZOGFTZZZBAWMB-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1C1CC1 18035227 571769010 /nfs/dbraw/zinc/76/90/10/571769010.db2.gz VWXSYLJAOKOQNQ-BDAKNGLRSA-N 2 1 154.257 0.675 10 0 ACAEMP [NH3+]Cc1cn2cc[nH+]c2[nH]1 18483795 571769257 /nfs/dbraw/zinc/76/92/57/571769257.db2.gz PMWJVFAKVOJPCK-UHFFFAOYSA-N 2 1 136.158 0.121 10 0 ACAEMP COC(=O)[C@H](C)C[N@H+](C)[C@H](C)C[NH3+] 71048924 571769272 /nfs/dbraw/zinc/76/92/72/571769272.db2.gz XYUSNYCSLOSNSZ-HTQZYQBOSA-N 2 1 188.271 0.075 10 0 ACAEMP COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C[NH3+] 71048924 571769275 /nfs/dbraw/zinc/76/92/75/571769275.db2.gz XYUSNYCSLOSNSZ-HTQZYQBOSA-N 2 1 188.271 0.075 10 0 ACAEMP C[N@@H+](CCNC(N)=[NH2+])C1CCCC1 70946485 571769405 /nfs/dbraw/zinc/76/94/05/571769405.db2.gz PKTYVAIHZQGZMM-UHFFFAOYSA-N 2 1 184.287 0.344 10 0 ACAEMP [NH3+]CC[C@H](O)C[N@H+]1CC[C@H](C2CC2)C1 400257951 571769701 /nfs/dbraw/zinc/76/97/01/571769701.db2.gz XSZJCVFRTWJQMD-QWRGUYRKSA-N 2 1 198.310 0.428 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@H+]2C[C@@H]3C[C@@H]3[C@@H]12 19263790 571769877 /nfs/dbraw/zinc/76/98/77/571769877.db2.gz IKJLIQBLDNKMST-XSPKLOCKSA-N 2 1 152.241 0.285 10 0 ACAEMP C1C[C@H]2[C@@H](NCC3C[NH2+]C3)CC[N@H+]2C1 710838068 571769926 /nfs/dbraw/zinc/76/99/26/571769926.db2.gz IOSPUIJZQNQQRM-QWRGUYRKSA-N 2 1 195.310 0.032 10 0 ACAEMP CC[N@@H+](CCCC[NH3+])CC(=O)OC 71048673 571769988 /nfs/dbraw/zinc/76/99/88/571769988.db2.gz WUXIJRFGGSVDPC-UHFFFAOYSA-N 2 1 188.271 0.220 10 0 ACAEMP CCOC(=O)C[N@H+](C)CCCC[NH3+] 71048731 571770047 /nfs/dbraw/zinc/77/00/47/571770047.db2.gz ZOWVAWSTIPQXOW-UHFFFAOYSA-N 2 1 188.271 0.220 10 0 ACAEMP C1C[C@@H]2[C@@H](NCC3C[NH2+]C3)CC[N@H+]2C1 710838069 571770278 /nfs/dbraw/zinc/77/02/78/571770278.db2.gz IOSPUIJZQNQQRM-WDEREUQCSA-N 2 1 195.310 0.032 10 0 ACAEMP CCOC(=O)C[N@@H+](C)CCCC[NH3+] 71048731 571770051 /nfs/dbraw/zinc/77/00/51/571770051.db2.gz ZOWVAWSTIPQXOW-UHFFFAOYSA-N 2 1 188.271 0.220 10 0 ACAEMP [NH3+][C@@H]1CCC[N@H+]2C[C@@H]3C[C@@H]3[C@@H]12 19646249 571770059 /nfs/dbraw/zinc/77/00/59/571770059.db2.gz PXRRYSCWTLEIDB-MAUMQABQSA-N 2 1 152.241 0.428 10 0 ACAEMP CC[C@H](C[NH3+])[N@H+](C)CCC(=O)OC 71048875 571770693 /nfs/dbraw/zinc/77/06/93/571770693.db2.gz KCGIKGGLWKCRSV-MRVPVSSYSA-N 2 1 188.271 0.219 10 0 ACAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1[C@@H]1CCCOC1 71014064 571770762 /nfs/dbraw/zinc/77/07/62/571770762.db2.gz JNAPFQHMEOITCD-HBNTYKKESA-N 2 1 198.310 0.977 10 0 ACAEMP Cc1cn(C)c(N[C@@H]2CC[N@@H+](C)C2)[nH+]1 234349014 571770227 /nfs/dbraw/zinc/77/02/27/571770227.db2.gz FIPOBFAUSNDEBB-SECBINFHSA-N 2 1 194.282 0.845 10 0 ACAEMP C[N@H+]1CC[C@]2(CCC[C@@H](C[NH3+])O2)C1 686232618 571770335 /nfs/dbraw/zinc/77/03/35/571770335.db2.gz CZOGFTZZZBAWMB-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP COC(=O)CC[N@@H+](C)C[C@H](C)C[NH3+] 71048825 571770637 /nfs/dbraw/zinc/77/06/37/571770637.db2.gz PJEVKTWFVHNNAG-MRVPVSSYSA-N 2 1 188.271 0.076 10 0 ACAEMP CC[C@H](C[NH3+])[N@@H+](C)CCC(=O)OC 71048875 571770696 /nfs/dbraw/zinc/77/06/96/571770696.db2.gz KCGIKGGLWKCRSV-MRVPVSSYSA-N 2 1 188.271 0.219 10 0 ACAEMP [NH3+]CC[C@H](O)C[N@H+]1CC[C@@H](C2CC2)C1 400257950 571770778 /nfs/dbraw/zinc/77/07/78/571770778.db2.gz XSZJCVFRTWJQMD-MNOVXSKESA-N 2 1 198.310 0.428 10 0 ACAEMP [NH3+]CC[C@@H](O)C[N@H+]1CC[C@H](C2CC2)C1 400257952 571771172 /nfs/dbraw/zinc/77/11/72/571771172.db2.gz XSZJCVFRTWJQMD-WDEREUQCSA-N 2 1 198.310 0.428 10 0 ACAEMP Cc1c[nH]c(N[C@@H]2CC[N@H+](C)C2)[nH+]1 234348923 571771466 /nfs/dbraw/zinc/77/14/66/571771466.db2.gz YFZUWQCLAULBBN-MRVPVSSYSA-N 2 1 180.255 0.834 10 0 ACAEMP C[N@H+](CC1CCC1)[C@@]1(C[NH3+])CCOC1 70970988 571771467 /nfs/dbraw/zinc/77/14/67/571771467.db2.gz GDLVVOMUQYXLKP-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP C[N@@H+](CC1CCC1)[C@@]1(C[NH3+])CCOC1 70970988 571771472 /nfs/dbraw/zinc/77/14/72/571771472.db2.gz GDLVVOMUQYXLKP-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP C[N@H+](CC1CCC1)[C@]1(C[NH3+])CCOC1 70970986 571771617 /nfs/dbraw/zinc/77/16/17/571771617.db2.gz GDLVVOMUQYXLKP-NSHDSACASA-N 2 1 198.310 0.836 10 0 ACAEMP C[N@@H+](CC1CCC1)[C@]1(C[NH3+])CCOC1 70970986 571771618 /nfs/dbraw/zinc/77/16/18/571771618.db2.gz GDLVVOMUQYXLKP-NSHDSACASA-N 2 1 198.310 0.836 10 0 ACAEMP C1C[C@@H]2[C@H](NCC3C[NH2+]C3)CC[N@H+]2C1 710838060 571771719 /nfs/dbraw/zinc/77/17/19/571771719.db2.gz 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GDPNDXABEPLLDH-IHWYPQMZSA-N 2 1 198.266 0.057 10 0 ACAEMP C[N@@H+](CCCO)C[C@H]1CCC[C@@H]1[NH3+] 300798445 571933898 /nfs/dbraw/zinc/93/38/98/571933898.db2.gz IQGKQVBFLUPNLL-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@H+]1CCC[C@H](CN2CC(C)(O)C2)C1 687809124 571933953 /nfs/dbraw/zinc/93/39/53/571933953.db2.gz AHPXYMDRQCPJIZ-JTQLQIEISA-N 2 1 198.310 0.395 10 0 ACAEMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnoc2)C1 687683932 571938395 /nfs/dbraw/zinc/93/83/95/571938395.db2.gz BUPRLMTWRGJVHI-PSASIEDQSA-N 2 1 195.266 0.844 10 0 ACAEMP CO[C@@H](C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 234751507 571935032 /nfs/dbraw/zinc/93/50/32/571935032.db2.gz VKMVYJMVJLOINL-UWVGGRQHSA-N 2 1 186.299 0.692 10 0 ACAEMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnoc1 687683955 571939899 /nfs/dbraw/zinc/93/98/99/571939899.db2.gz JWDDKLICOFGRLP-DTWKUNHWSA-N 2 1 195.266 0.844 10 0 ACAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnoc2)C1 687683934 571936139 /nfs/dbraw/zinc/93/61/39/571936139.db2.gz BUPRLMTWRGJVHI-WCBMZHEXSA-N 2 1 195.266 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C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnoc1 687683956 571937284 /nfs/dbraw/zinc/93/72/84/571937284.db2.gz JWDDKLICOFGRLP-IUCAKERBSA-N 2 1 195.266 0.844 10 0 ACAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1C[C@H](C)O 233967481 571937763 /nfs/dbraw/zinc/93/77/63/571937763.db2.gz UQUYAVXLGJAVLO-ZRUFSTJUSA-N 2 1 198.310 0.297 10 0 ACAEMP Cc1cn(C)c(N(C)CC[NH3+])[nH+]1 234283217 571938052 /nfs/dbraw/zinc/93/80/52/571938052.db2.gz HBUGCSGLPUZQSY-UHFFFAOYSA-N 2 1 168.244 0.123 10 0 ACAEMP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH3+])C1 234756990 571938237 /nfs/dbraw/zinc/93/82/37/571938237.db2.gz CPTDSYPVCLHTGI-XHNCKOQMSA-N 2 1 172.272 0.491 10 0 ACAEMP CN(CCC[NH3+])c1[nH]cc[nH+]1 234297861 571938336 /nfs/dbraw/zinc/93/83/36/571938336.db2.gz MQORJLAWINVXNQ-UHFFFAOYSA-N 2 1 154.217 0.195 10 0 ACAEMP CCC[NH2+]CC[NH2+]CC 39712246 571938372 /nfs/dbraw/zinc/93/83/72/571938372.db2.gz OERPOZXBQMJPHK-UHFFFAOYSA-N 2 1 130.235 0.596 10 0 ACAEMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnoc2)C1 687683932 571938415 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/nfs/dbraw/zinc/93/92/39/571939239.db2.gz YKIZAGHUXNWXGR-HBNTYKKESA-N 2 1 196.294 0.731 10 0 ACAEMP [NH3+]C[C@@H]1CC[C@@]2(CC[N@H+]3CCC[C@H]32)O1 686233419 571939895 /nfs/dbraw/zinc/93/98/95/571939895.db2.gz YKIZAGHUXNWXGR-DCAQKATOSA-N 2 1 196.294 0.731 10 0 ACAEMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnoc1 687683955 571939897 /nfs/dbraw/zinc/93/98/97/571939897.db2.gz JWDDKLICOFGRLP-DTWKUNHWSA-N 2 1 195.266 0.844 10 0 ACAEMP CC[C@@H](C)[NH2+]CC[NH2+]C 39712244 571939949 /nfs/dbraw/zinc/93/99/49/571939949.db2.gz WPJAFCLJIYJMKN-SSDOTTSWSA-N 2 1 130.235 0.594 10 0 ACAEMP CC[C@H](C)[NH2+]CC[NH2+]C 39712245 571940274 /nfs/dbraw/zinc/94/02/74/571940274.db2.gz WPJAFCLJIYJMKN-ZETCQYMHSA-N 2 1 130.235 0.594 10 0 ACAEMP COC[C@H](CCC[NH3+])[N@@H+](C)C1CC1 234761225 571940413 /nfs/dbraw/zinc/94/04/13/571940413.db2.gz QXIKGFTYOJLNFY-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP [NH3+]C[C@@H]1CC[C@@]2(CC[N@H+]3CCC[C@@H]32)O1 686233418 571940600 /nfs/dbraw/zinc/94/06/00/571940600.db2.gz YKIZAGHUXNWXGR-AXFHLTTASA-N 2 1 196.294 0.731 10 0 ACAEMP CCCC[NH2+]CC[NH2+]C 39712238 571940749 /nfs/dbraw/zinc/94/07/49/571940749.db2.gz FKSAEXHMYJQBCY-UHFFFAOYSA-N 2 1 130.235 0.596 10 0 ACAEMP CO[C@H](C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 234761327 571940926 /nfs/dbraw/zinc/94/09/26/571940926.db2.gz VKMVYJMVJLOINL-ZJUUUORDSA-N 2 1 186.299 0.692 10 0 ACAEMP CO[C@@H]1CCCC[C@@H]1[N@H+](C)CC[NH3+] 234762010 571941161 /nfs/dbraw/zinc/94/11/61/571941161.db2.gz CWWRSFCUNHAYJG-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP CO[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[NH3+] 234762010 571941164 /nfs/dbraw/zinc/94/11/64/571941164.db2.gz CWWRSFCUNHAYJG-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@@H+](CCNC[C@H]1CCC[NH2+]1)C1CC1 234298287 571941264 /nfs/dbraw/zinc/94/12/64/571941264.db2.gz NPHFNUOFZDUTIZ-SNVBAGLBSA-N 2 1 197.326 0.422 10 0 ACAEMP CO[C@H](C)C[NH2+]C1(C[NH3+])CC1 234768790 571941589 /nfs/dbraw/zinc/94/15/89/571941589.db2.gz BQWSAPLVBLCWQX-SSDOTTSWSA-N 2 1 158.245 0.102 10 0 ACAEMP Cc1nccnc1[C@H](C)[NH2+]CCC[NH3+] 235517317 571942435 /nfs/dbraw/zinc/94/24/35/571942435.db2.gz NJLCXOXHTOQPHI-QMMMGPOBSA-N 2 1 194.282 0.784 10 0 ACAEMP Cc1[nH+]ccn1CCOC1(C)C[NH2+]C1 214732427 571943416 /nfs/dbraw/zinc/94/34/16/571943416.db2.gz CWJFRHURJQAFDT-UHFFFAOYSA-N 2 1 195.266 0.570 10 0 ACAEMP CO[C@@H]1CCCC[C@H]1[N@H+](C)CC[NH3+] 234774826 571944272 /nfs/dbraw/zinc/94/42/72/571944272.db2.gz CWWRSFCUNHAYJG-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP CO[C@@H]1CCCC[C@H]1[N@@H+](C)CC[NH3+] 234774826 571944274 /nfs/dbraw/zinc/94/42/74/571944274.db2.gz CWWRSFCUNHAYJG-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[NH2+][C@@](C)(CCC[NH3+])C(=O)OC 311747802 571944287 /nfs/dbraw/zinc/94/42/87/571944287.db2.gz CIIILXVDMYOKGN-VIFPVBQESA-N 2 1 188.271 0.267 10 0 ACAEMP CC[N@@H+](C[C@H](CC[NH3+])OC)C1CC1 401434684 571944131 /nfs/dbraw/zinc/94/41/31/571944131.db2.gz VYRZZCHHUKSKNV-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP COCC[C@@](C)([NH3+])c1c[nH+]ccc1N 687685674 571944435 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0.635 10 0 ACAEMP C[C@H]1CC[C@](C[NH3+])([NH2+]C2CC2)CO1 401467179 571946184 /nfs/dbraw/zinc/94/61/84/571946184.db2.gz MQSLBYTWLWJYPJ-WCBMZHEXSA-N 2 1 184.283 0.635 10 0 ACAEMP COC[C@@](C)([NH3+])[C@@H]1CCC[NH2+]1 687686486 571946630 /nfs/dbraw/zinc/94/66/30/571946630.db2.gz DEFHTDXKIRXVCT-JGVFFNPUSA-N 2 1 158.245 0.102 10 0 ACAEMP COC[C@](C)([NH3+])[C@H]1CCC[NH2+]1 687686487 571946857 /nfs/dbraw/zinc/94/68/57/571946857.db2.gz DEFHTDXKIRXVCT-SFYZADRCSA-N 2 1 158.245 0.102 10 0 ACAEMP COC[C@@](C)([NH3+])[C@H]1CCC[NH2+]1 687686485 571946863 /nfs/dbraw/zinc/94/68/63/571946863.db2.gz DEFHTDXKIRXVCT-HTQZYQBOSA-N 2 1 158.245 0.102 10 0 ACAEMP C[C@H]1CC[C@@](C[NH3+])([NH2+]CC2CC2)CO1 401479625 571947350 /nfs/dbraw/zinc/94/73/50/571947350.db2.gz UIOWZFRBVODKJL-ONGXEEELSA-N 2 1 198.310 0.882 10 0 ACAEMP COC[C@](C)([NH3+])[C@@H]1CCC[NH2+]1 687686488 571948066 /nfs/dbraw/zinc/94/80/66/571948066.db2.gz DEFHTDXKIRXVCT-YUMQZZPRSA-N 2 1 158.245 0.102 10 0 ACAEMP 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41203292 571981006 /nfs/dbraw/zinc/98/10/06/571981006.db2.gz YLPYBHGROPKGNM-UHFFFAOYSA-N 2 1 185.315 0.233 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH+](C)C2)C[C@H]1O 687765919 571981547 /nfs/dbraw/zinc/98/15/47/571981547.db2.gz PGFRBBHLHQTQPU-GMTAPVOTSA-N 2 1 198.310 0.251 10 0 ACAEMP C[C@@H]1C[NH+](C[C@@H]2CC[N@H+](C)C2)C[C@H]1O 687765919 571981550 /nfs/dbraw/zinc/98/15/50/571981550.db2.gz PGFRBBHLHQTQPU-GMTAPVOTSA-N 2 1 198.310 0.251 10 0 ACAEMP C[C@@H]1C[NH+](C[C@@H]2CC[N@@H+](C)C2)C[C@H]1O 687765919 571981553 /nfs/dbraw/zinc/98/15/53/571981553.db2.gz PGFRBBHLHQTQPU-GMTAPVOTSA-N 2 1 198.310 0.251 10 0 ACAEMP CO[C@H]1CC[N@@H+](C[C@@H](C)C2C[NH2+]C2)C1 234873953 571981678 /nfs/dbraw/zinc/98/16/78/571981678.db2.gz ITWJIOQILKFNOR-KOLCDFICSA-N 2 1 198.310 0.563 10 0 ACAEMP C[C@@H]1C[NH+](C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O 687765920 571981861 /nfs/dbraw/zinc/98/18/61/571981861.db2.gz PGFRBBHLHQTQPU-MXWKQRLJSA-N 2 1 198.310 0.251 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH+](C)C2)C[C@@H]1O 687765920 571981854 /nfs/dbraw/zinc/98/18/54/571981854.db2.gz PGFRBBHLHQTQPU-MXWKQRLJSA-N 2 1 198.310 0.251 10 0 ACAEMP C[C@@H]1C[NH+](C[C@@H]2CC[N@H+](C)C2)C[C@@H]1O 687765920 571981857 /nfs/dbraw/zinc/98/18/57/571981857.db2.gz PGFRBBHLHQTQPU-MXWKQRLJSA-N 2 1 198.310 0.251 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH+](C)C2)C[C@@H]1O 687765922 571982085 /nfs/dbraw/zinc/98/20/85/571982085.db2.gz PGFRBBHLHQTQPU-VWYCJHECSA-N 2 1 198.310 0.251 10 0 ACAEMP C[C@@H]1C[NH+](C[C@H]2CC[N@H+](C)C2)C[C@@H]1O 687765922 571982086 /nfs/dbraw/zinc/98/20/86/571982086.db2.gz PGFRBBHLHQTQPU-VWYCJHECSA-N 2 1 198.310 0.251 10 0 ACAEMP C[C@@H]1C[NH+](C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O 687765922 571982088 /nfs/dbraw/zinc/98/20/88/571982088.db2.gz PGFRBBHLHQTQPU-VWYCJHECSA-N 2 1 198.310 0.251 10 0 ACAEMP CO[C@H]1CC[N@@H+](CC[C@@H]([NH3+])C2CC2)C1 234868665 571982106 /nfs/dbraw/zinc/98/21/06/571982106.db2.gz ARCLBLLJWYZDRX-WDEREUQCSA-N 2 1 198.310 0.835 10 0 ACAEMP CO[C@H]1CC[N@H+](C[C@@H]([NH3+])C2CC2)C1 234874633 571982418 /nfs/dbraw/zinc/98/24/18/571982418.db2.gz GLVDGTQSTMVECX-VHSXEESVSA-N 2 1 184.283 0.444 10 0 ACAEMP CO[C@H]1CC[N@@H+](C[C@@H]([NH3+])C2CC2)C1 234874633 571982422 /nfs/dbraw/zinc/98/24/22/571982422.db2.gz GLVDGTQSTMVECX-VHSXEESVSA-N 2 1 184.283 0.444 10 0 ACAEMP CN(C)CCC[NH2+]CC1CC[NH2+]CC1 41210038 571982666 /nfs/dbraw/zinc/98/26/66/571982666.db2.gz YSZSBAMYSXTFIH-UHFFFAOYSA-N 2 1 199.342 0.527 10 0 ACAEMP CO[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@@H]2C)C1 234880111 571982871 /nfs/dbraw/zinc/98/28/71/571982871.db2.gz FVVVKONQEIFHMF-DCAQKATOSA-N 2 1 198.310 0.563 10 0 ACAEMP CO[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 234871880 571982902 /nfs/dbraw/zinc/98/29/02/571982902.db2.gz QTAUDYHDXVLRAY-QWRGUYRKSA-N 2 1 198.310 0.707 10 0 ACAEMP CCN(CC[NH3+])[C@@H]1C[C@H](C)[N@@H+](C)C1 300845963 571983252 /nfs/dbraw/zinc/98/32/52/571983252.db2.gz RSRBTHMNLBJNBV-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP CC[N@H+](CC[NH3+])[C@@H](COC)C1CC1 300844216 571983764 /nfs/dbraw/zinc/98/37/64/571983764.db2.gz RHMLSPIJWGMHPV-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP CC[N@@H+](CC[NH3+])[C@@H](COC)C1CC1 300844216 571983768 /nfs/dbraw/zinc/98/37/68/571983768.db2.gz RHMLSPIJWGMHPV-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP CC[N@H+](CC[NH3+])[C@H](COC)C1CC1 300844220 571983881 /nfs/dbraw/zinc/98/38/81/571983881.db2.gz RHMLSPIJWGMHPV-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP CC[N@@H+](CC[NH3+])[C@H](COC)C1CC1 300844220 571983883 /nfs/dbraw/zinc/98/38/83/571983883.db2.gz RHMLSPIJWGMHPV-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)CCCO 300847775 571984303 /nfs/dbraw/zinc/98/43/03/571984303.db2.gz SCGJQXMSVNHGSL-SNVBAGLBSA-N 2 1 188.315 0.546 10 0 ACAEMP CCN(CC[NH3+])[C@@H]1C[C@@H](C)[N@@H+](C)C1 300845958 571984805 /nfs/dbraw/zinc/98/48/05/571984805.db2.gz RSRBTHMNLBJNBV-NXEZZACHSA-N 2 1 185.315 0.360 10 0 ACAEMP CCN(CC[NH3+])[C@H]1C[C@@H](C)[N@@H+](C)C1 300845966 571984648 /nfs/dbraw/zinc/98/46/48/571984648.db2.gz RSRBTHMNLBJNBV-ZJUUUORDSA-N 2 1 185.315 0.360 10 0 ACAEMP CC[C@H](CO)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 401781647 571985114 /nfs/dbraw/zinc/98/51/14/571985114.db2.gz QNKWYNZZOBXRAW-AEJSXWLSSA-N 2 1 186.299 0.345 10 0 ACAEMP C[C@H](O)CC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 401785605 571985123 /nfs/dbraw/zinc/98/51/23/571985123.db2.gz SYKCECZDTSJCEX-GUBZILKMSA-N 2 1 186.299 0.345 10 0 ACAEMP Cn1c[nH+]cc1CC1(O)CC[NH2+]CC1 401789167 571985366 /nfs/dbraw/zinc/98/53/66/571985366.db2.gz GFVAYYHQHPAJKW-UHFFFAOYSA-N 2 1 195.266 0.077 10 0 ACAEMP CO[C@H]1CC[N@H+](C[C@@](C)([NH3+])C2CC2)C1 234881720 571985531 /nfs/dbraw/zinc/98/55/31/571985531.db2.gz SDDLPAXKFJNOLO-WDEREUQCSA-N 2 1 198.310 0.835 10 0 ACAEMP CO[C@H]1CC[N@@H+](C[C@@](C)([NH3+])C2CC2)C1 234881720 571985535 /nfs/dbraw/zinc/98/55/35/571985535.db2.gz SDDLPAXKFJNOLO-WDEREUQCSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@H](O)CC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 401785606 571985807 /nfs/dbraw/zinc/98/58/07/571985807.db2.gz SYKCECZDTSJCEX-KXUCPTDWSA-N 2 1 186.299 0.345 10 0 ACAEMP C1CC[C@@H]2[NH2+]C([C@H]3CC[NH2+]C3)N[C@H]2C1 687768633 571986084 /nfs/dbraw/zinc/98/60/84/571986084.db2.gz VXBLWLXSPGJPJD-GUBZILKMSA-N 2 1 195.310 0.426 10 0 ACAEMP C1CC[C@@H]2[NH2+]C([C@@H]3CC[NH2+]C3)N[C@H]2C1 687768635 571986162 /nfs/dbraw/zinc/98/61/62/571986162.db2.gz VXBLWLXSPGJPJD-UTLUCORTSA-N 2 1 195.310 0.426 10 0 ACAEMP CC[C@H](CO)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 401781648 571986179 /nfs/dbraw/zinc/98/61/79/571986179.db2.gz QNKWYNZZOBXRAW-BBBLOLIVSA-N 2 1 186.299 0.345 10 0 ACAEMP C[C@H](O)CC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 401785608 571986767 /nfs/dbraw/zinc/98/67/67/571986767.db2.gz SYKCECZDTSJCEX-LPEHRKFASA-N 2 1 186.299 0.345 10 0 ACAEMP C[C@H](O)C(C)(C)[NH2+]C[C@@H]1CCC[NH2+]1 235556073 571987193 /nfs/dbraw/zinc/98/71/93/571987193.db2.gz FHKYCBRTBZKWSL-IUCAKERBSA-N 2 1 186.299 0.487 10 0 ACAEMP COCCC1(C[NH2+][C@@H]2CC[NH2+]C2)CC1 234889871 571987260 /nfs/dbraw/zinc/98/72/60/571987260.db2.gz MWFNFSUJGZFZON-SNVBAGLBSA-N 2 1 198.310 0.755 10 0 ACAEMP C1CC[C@H]2[NH2+][C@H]([C@@H]3CC[NH2+]C3)N[C@H]2C1 687768636 571987506 /nfs/dbraw/zinc/98/75/06/571987506.db2.gz VXBLWLXSPGJPJD-ZNSHCXBVSA-N 2 1 195.310 0.426 10 0 ACAEMP C1CC[C@H]2N[C@H]([C@@H]3CC[NH2+]C3)[NH2+][C@H]2C1 687768636 571987508 /nfs/dbraw/zinc/98/75/08/571987508.db2.gz VXBLWLXSPGJPJD-ZNSHCXBVSA-N 2 1 195.310 0.426 10 0 ACAEMP CN(C[C@H]1CCC[NH2+]1)c1[nH+]ccn1C 234341669 571987801 /nfs/dbraw/zinc/98/78/01/571987801.db2.gz ZXLVDVISLDZPSW-SECBINFHSA-N 2 1 194.282 0.608 10 0 ACAEMP CNc1[nH+]ccn1C[C@H]1CC[N@@H+](C)C1 234495277 571987839 /nfs/dbraw/zinc/98/78/39/571987839.db2.gz NGLQBOXVWXVPGP-VIFPVBQESA-N 2 1 194.282 0.877 10 0 ACAEMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)C(C)C 300856162 571987942 /nfs/dbraw/zinc/98/79/42/571987942.db2.gz IDWRQTYTDCXBCI-SNVBAGLBSA-N 2 1 188.315 0.545 10 0 ACAEMP C1CC[C@H]2[NH2+][C@H]([C@H]3CC[NH2+]C3)N[C@H]2C1 687768634 571987989 /nfs/dbraw/zinc/98/79/89/571987989.db2.gz VXBLWLXSPGJPJD-UKKRHICBSA-N 2 1 195.310 0.426 10 0 ACAEMP C1CC[C@H]2N[C@H]([C@H]3CC[NH2+]C3)[NH2+][C@H]2C1 687768634 571987992 /nfs/dbraw/zinc/98/79/92/571987992.db2.gz VXBLWLXSPGJPJD-UKKRHICBSA-N 2 1 195.310 0.426 10 0 ACAEMP C[C@H](O)C(C)(C)[NH2+]C[C@H]1CCC[NH2+]1 235556969 571988018 /nfs/dbraw/zinc/98/80/18/571988018.db2.gz FHKYCBRTBZKWSL-DTWKUNHWSA-N 2 1 186.299 0.487 10 0 ACAEMP Cc1csc(CC[NH2+]CC[NH3+])n1 41621200 571988391 /nfs/dbraw/zinc/98/83/91/571988391.db2.gz OWXPUDIKCNCSTN-UHFFFAOYSA-N 2 1 185.296 0.542 10 0 ACAEMP CNc1[nH+]ccn1C[C@@H]1CC[N@@H+](C)C1 234494565 571989632 /nfs/dbraw/zinc/98/96/32/571989632.db2.gz NGLQBOXVWXVPGP-SECBINFHSA-N 2 1 194.282 0.877 10 0 ACAEMP CC[C@]1(C)COCC[N@@H+]1CCC(N)=[NH2+] 687911129 571989923 /nfs/dbraw/zinc/98/99/23/571989923.db2.gz ZTJNJJBPXWVILW-SNVBAGLBSA-N 2 1 199.298 0.813 10 0 ACAEMP CC[C@]1(C)COCC[N@H+]1CCC(N)=[NH2+] 687911129 571989925 /nfs/dbraw/zinc/98/99/25/571989925.db2.gz ZTJNJJBPXWVILW-SNVBAGLBSA-N 2 1 199.298 0.813 10 0 ACAEMP CC[C@@]1(C)COCC[N@@H+]1CCC(N)=[NH2+] 687911128 571990688 /nfs/dbraw/zinc/99/06/88/571990688.db2.gz ZTJNJJBPXWVILW-JTQLQIEISA-N 2 1 199.298 0.813 10 0 ACAEMP CC[C@@]1(C)COCC[N@H+]1CCC(N)=[NH2+] 687911128 571990690 /nfs/dbraw/zinc/99/06/90/571990690.db2.gz ZTJNJJBPXWVILW-JTQLQIEISA-N 2 1 199.298 0.813 10 0 ACAEMP COCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 81707379 571991693 /nfs/dbraw/zinc/99/16/93/571991693.db2.gz IFWPXTFHVUJANX-UWVGGRQHSA-N 2 1 186.299 0.753 10 0 ACAEMP COCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 81707369 571992135 /nfs/dbraw/zinc/99/21/35/571992135.db2.gz IFWPXTFHVUJANX-VHSXEESVSA-N 2 1 186.299 0.753 10 0 ACAEMP COCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 81707375 571992196 /nfs/dbraw/zinc/99/21/96/571992196.db2.gz IFWPXTFHVUJANX-NXEZZACHSA-N 2 1 186.299 0.753 10 0 ACAEMP C[NH2+]C[C@@H]1CC[C@@]2(CC[N@@H+](C)C2)O1 686232661 571992526 /nfs/dbraw/zinc/99/25/26/571992526.db2.gz FMPYGXMKOVQDTB-UWVGGRQHSA-N 2 1 184.283 0.459 10 0 ACAEMP C[NH2+]C[C@@H](C)C[N@@H+](C)C[C@@H](C)OC 300215828 571992570 /nfs/dbraw/zinc/99/25/70/571992570.db2.gz IESHJBZLHYDVPR-NXEZZACHSA-N 2 1 188.315 0.809 10 0 ACAEMP C[NH2+]C[C@H]1CC[C@]2(CC[N@@H+](C)C2)O1 686232660 571992750 /nfs/dbraw/zinc/99/27/50/571992750.db2.gz FMPYGXMKOVQDTB-NXEZZACHSA-N 2 1 184.283 0.459 10 0 ACAEMP Nc1cc[nH]c1C[NH+]1CCC([NH3+])CC1 74245945 571992833 /nfs/dbraw/zinc/99/28/33/571992833.db2.gz FSRKMXSHAWAYRB-UHFFFAOYSA-N 2 1 194.282 0.520 10 0 ACAEMP C[NH2+]C[C@H]1CC[C@@]2(CC[N@@H+](C)C2)O1 686232663 571993295 /nfs/dbraw/zinc/99/32/95/571993295.db2.gz FMPYGXMKOVQDTB-ZJUUUORDSA-N 2 1 184.283 0.459 10 0 ACAEMP C[NH2+]C[C@@H](C)CN(C)c1[nH+]ccn1C 300216682 571993397 /nfs/dbraw/zinc/99/33/97/571993397.db2.gz TUCCGEJDMJMEGW-SECBINFHSA-N 2 1 196.298 0.712 10 0 ACAEMP C[NH2+]C[C@H](C)C[N@@H+](C)C[C@H](C)OC 300215829 571993760 /nfs/dbraw/zinc/99/37/60/571993760.db2.gz IESHJBZLHYDVPR-UWVGGRQHSA-N 2 1 188.315 0.809 10 0 ACAEMP C[NH2+]C[C@@H](C)C[N@@H+](C)C[C@H](C)OC 300215830 571994128 /nfs/dbraw/zinc/99/41/28/571994128.db2.gz IESHJBZLHYDVPR-ZJUUUORDSA-N 2 1 188.315 0.809 10 0 ACAEMP C[NH+](C)C/C(Cl)=C/C[NH3+] 13858994 571994362 /nfs/dbraw/zinc/99/43/62/571994362.db2.gz PCMZGWWPNBWLEB-UTCJRWHESA-N 2 1 148.637 0.629 10 0 ACAEMP [NH3+]Cc1nccc2[nH]c3[nH+]ccn3c12 74279340 571994675 /nfs/dbraw/zinc/99/46/75/571994675.db2.gz ROSMGQJGHJBLNE-UHFFFAOYSA-N 2 1 187.206 0.669 10 0 ACAEMP CCN(CC[NH3+])[C@H]1CC[N@@H+](C)[C@H](C)C1 300865572 571995325 /nfs/dbraw/zinc/99/53/25/571995325.db2.gz WEEZWXXRLNEVKM-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](OC)C1 234385539 571995137 /nfs/dbraw/zinc/99/51/37/571995137.db2.gz PIIOXBXCDGKDGY-VHSXEESVSA-N 2 1 186.299 0.705 10 0 ACAEMP C[NH2+]CC[NH2+][C@H]1C[C@H](OC)C1(C)C 234385617 571995542 /nfs/dbraw/zinc/99/55/42/571995542.db2.gz NJGATKDLIKUDFD-IUCAKERBSA-N 2 1 186.299 0.609 10 0 ACAEMP C[NH2+]CC[NH2+][C@@H]1C[C@H](OC)C1(C)C 234385389 571995764 /nfs/dbraw/zinc/99/57/64/571995764.db2.gz NJGATKDLIKUDFD-BDAKNGLRSA-N 2 1 186.299 0.609 10 0 ACAEMP CCN(CC[NH3+])[C@@H]1CC[N@@H+](C)[C@H](C)C1 300865566 571995769 /nfs/dbraw/zinc/99/57/69/571995769.db2.gz WEEZWXXRLNEVKM-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP CSCC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 401871598 571995778 /nfs/dbraw/zinc/99/57/78/571995778.db2.gz LDZAFOBFVLPUAI-RKDXNWHRSA-N 2 1 188.340 0.937 10 0 ACAEMP CSCC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 401871597 571996016 /nfs/dbraw/zinc/99/60/16/571996016.db2.gz LDZAFOBFVLPUAI-IUCAKERBSA-N 2 1 188.340 0.937 10 0 ACAEMP C[NH2+]C[C@H](C)CN(C)c1[nH+]ccn1C 234385357 571996226 /nfs/dbraw/zinc/99/62/26/571996226.db2.gz TUCCGEJDMJMEGW-VIFPVBQESA-N 2 1 196.298 0.712 10 0 ACAEMP C[NH2+]CC[NH2+][C@H]1C[C@@H](OC)C1(C)C 234385601 571996260 /nfs/dbraw/zinc/99/62/60/571996260.db2.gz NJGATKDLIKUDFD-DTWKUNHWSA-N 2 1 186.299 0.609 10 0 ACAEMP CCC[C@H]([NH3+])[C@@]1(O)CCC[N@@H+](C)C1 74279870 571996445 /nfs/dbraw/zinc/99/64/45/571996445.db2.gz WWESUINGOGZLAC-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](OC)C1(C)C 234385368 571996549 /nfs/dbraw/zinc/99/65/49/571996549.db2.gz NJGATKDLIKUDFD-RKDXNWHRSA-N 2 1 186.299 0.609 10 0 ACAEMP CCN(CC[NH3+])[C@@H]1CC[N@@H+](C)[C@@H](C)C1 300865580 571997110 /nfs/dbraw/zinc/99/71/10/571997110.db2.gz WEEZWXXRLNEVKM-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CSCC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 401871595 571997377 /nfs/dbraw/zinc/99/73/77/571997377.db2.gz LDZAFOBFVLPUAI-BDAKNGLRSA-N 2 1 188.340 0.937 10 0 ACAEMP C[C@@H]1C[C@H]([N@H+](C)[C@@H](C[NH3+])C2CC2)CO1 401886032 571997892 /nfs/dbraw/zinc/99/78/92/571997892.db2.gz KOANHIFIMMJURF-MIMYLULJSA-N 2 1 198.310 0.833 10 0 ACAEMP C[C@@H]1C[C@H]([N@@H+](C)[C@@H](C[NH3+])C2CC2)CO1 401886032 571997894 /nfs/dbraw/zinc/99/78/94/571997894.db2.gz KOANHIFIMMJURF-MIMYLULJSA-N 2 1 198.310 0.833 10 0 ACAEMP CC(C)[C@@H](O)C[N@@H+](C)C[C@@H](C)C[NH3+] 300877833 571998286 /nfs/dbraw/zinc/99/82/86/571998286.db2.gz MEPVIIVVKZLDFI-UWVGGRQHSA-N 2 1 188.315 0.530 10 0 ACAEMP Cc1cc(C[NH2+][C@@H](C)CC[NH3+])nn1C 300874499 571998158 /nfs/dbraw/zinc/99/81/58/571998158.db2.gz KNTHWQWIOQLZPJ-QMMMGPOBSA-N 2 1 196.298 0.555 10 0 ACAEMP C[NH2+]C(C)(C)C[NH2+]C1CC(OC)C1 234386250 571998516 /nfs/dbraw/zinc/99/85/16/571998516.db2.gz ITZRZAIRDXJOHS-UHFFFAOYSA-N 2 1 186.299 0.751 10 0 ACAEMP C[NH2+]CC[C@@H](C)NC[C@@H]1CC[N@@H+](C)C1 322961251 571998832 /nfs/dbraw/zinc/99/88/32/571998832.db2.gz UQIXNJBNTDBNJW-MNOVXSKESA-N 2 1 199.342 0.526 10 0 ACAEMP C[NH2+]CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 322961251 571998835 /nfs/dbraw/zinc/99/88/35/571998835.db2.gz UQIXNJBNTDBNJW-MNOVXSKESA-N 3 1 199.342 0.526 10 0 ACAEMP C[NH2+]CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 322961251 571998839 /nfs/dbraw/zinc/99/88/39/571998839.db2.gz UQIXNJBNTDBNJW-MNOVXSKESA-N 3 1 199.342 0.526 10 0 ACAEMP CC(C)[C@@H](O)C[N@@H+](C)CCC[NH3+] 300876510 571999049 /nfs/dbraw/zinc/99/90/49/571999049.db2.gz LYHQKFKZGCHDJW-VIFPVBQESA-N 2 1 174.288 0.284 10 0 ACAEMP CCOC1CC([N@H+](CC)CC[NH3+])C1 300878009 571999130 /nfs/dbraw/zinc/99/91/30/571999130.db2.gz YPVGAOYKKPAWBN-UHFFFAOYSA-N 2 1 186.299 0.835 10 0 ACAEMP CCOC1CC([N@@H+](CC)CC[NH3+])C1 300878009 571999133 /nfs/dbraw/zinc/99/91/33/571999133.db2.gz YPVGAOYKKPAWBN-UHFFFAOYSA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)[C@H](O)C[N@@H+](C)C[C@@H](C)C[NH3+] 300877836 571999427 /nfs/dbraw/zinc/99/94/27/571999427.db2.gz MEPVIIVVKZLDFI-VHSXEESVSA-N 2 1 188.315 0.530 10 0 ACAEMP CC1=[NH+]CCN1C(=O)[C@H]([NH3+])C(C)C 207058364 571999437 /nfs/dbraw/zinc/99/94/37/571999437.db2.gz MQWSNHSNRHLBPE-MRVPVSSYSA-N 2 1 183.255 0.230 10 0 ACAEMP C[C@H]([NH3+])C[C@@H]([NH3+])c1ccccn1 220944016 571999509 /nfs/dbraw/zinc/99/95/09/571999509.db2.gz IKDGELFCIWXDGA-JGVFFNPUSA-N 2 1 165.240 0.819 10 0 ACAEMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CO1 401911594 572000231 /nfs/dbraw/zinc/00/02/31/572000231.db2.gz XKDMHZMYYAPNRX-MMWGEVLESA-N 2 1 196.294 0.315 10 0 ACAEMP CNc1[nH+]ccn1[C@@H]1CC[N@@H+](C)C1 234501300 572001154 /nfs/dbraw/zinc/00/11/54/572001154.db2.gz NVPZKCIEWZKMJY-MRVPVSSYSA-N 2 1 180.255 0.801 10 0 ACAEMP C[C@@H](C[NH3+])[N@H+]1C[C@H]2CSC[C@H]2C1 711549034 572001367 /nfs/dbraw/zinc/00/13/67/572001367.db2.gz YICGBTIECQYGOT-XHNCKOQMSA-N 2 1 186.324 0.628 10 0 ACAEMP CC[N@H+](CCOC)C[C@@H]([NH3+])C1CC1 68895506 572001368 /nfs/dbraw/zinc/00/13/68/572001368.db2.gz GNASGXBUSALVRR-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP C[C@@H](C[NH3+])[N@@H+]1C[C@H]2CSC[C@H]2C1 711549034 572001369 /nfs/dbraw/zinc/00/13/69/572001369.db2.gz YICGBTIECQYGOT-XHNCKOQMSA-N 2 1 186.324 0.628 10 0 ACAEMP CC[N@@H+](CCOC)C[C@@H]([NH3+])C1CC1 68895506 572001371 /nfs/dbraw/zinc/00/13/71/572001371.db2.gz GNASGXBUSALVRR-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP COC[C@@H](C)[N@H+](C)C[C@H]([NH3+])C1CC1 68895572 572001657 /nfs/dbraw/zinc/00/16/57/572001657.db2.gz PQUBFGHLLZPPRB-SCZZXKLOSA-N 2 1 186.299 0.690 10 0 ACAEMP COC[C@@H](C)[N@@H+](C)C[C@H]([NH3+])C1CC1 68895572 572001658 /nfs/dbraw/zinc/00/16/58/572001658.db2.gz PQUBFGHLLZPPRB-SCZZXKLOSA-N 2 1 186.299 0.690 10 0 ACAEMP C[C@@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1C[NH3+] 300221215 572001787 /nfs/dbraw/zinc/00/17/87/572001787.db2.gz OQTBAHYVDGXCDZ-KXUCPTDWSA-N 2 1 186.299 0.426 10 0 ACAEMP COCCC[N@H+](C)C[C@H]([NH3+])C1CC1 68897170 572001673 /nfs/dbraw/zinc/00/16/73/572001673.db2.gz JCOMVZMSFVXMOM-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP COCCC[N@@H+](C)C[C@H]([NH3+])C1CC1 68897170 572001676 /nfs/dbraw/zinc/00/16/76/572001676.db2.gz JCOMVZMSFVXMOM-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP CC[C@](C)(C[NH3+])C[N@@H+](C)CCCO 300878789 572002281 /nfs/dbraw/zinc/00/22/81/572002281.db2.gz YUQRJQGCQLWGMH-SNVBAGLBSA-N 2 1 188.315 0.676 10 0 ACAEMP C[NH2+]C[C@@H]1CCC[N@@H+]1C1CC(OC)C1 234389087 572002298 /nfs/dbraw/zinc/00/22/98/572002298.db2.gz JTWRVDUWSHDTNN-WHXUTIOJSA-N 2 1 198.310 0.848 10 0 ACAEMP C[NH2+]C[C@@H]1CCC[N@H+]1C1CC(OC)C1 234389087 572002301 /nfs/dbraw/zinc/00/23/01/572002301.db2.gz JTWRVDUWSHDTNN-WHXUTIOJSA-N 2 1 198.310 0.848 10 0 ACAEMP c1nc(CC[NH2+]C[C@@H]2CCC[NH2+]2)c[nH]1 167890692 572002311 /nfs/dbraw/zinc/00/23/11/572002311.db2.gz TXUPJNVZAJPFII-VIFPVBQESA-N 2 1 194.282 0.294 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)C2CC2)C1 68896833 572002343 /nfs/dbraw/zinc/00/23/43/572002343.db2.gz JBEJHNWBMSFETD-QMMMGPOBSA-N 2 1 182.267 0.246 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)C2CC2)C1 68896833 572002347 /nfs/dbraw/zinc/00/23/47/572002347.db2.gz JBEJHNWBMSFETD-QMMMGPOBSA-N 2 1 182.267 0.246 10 0 ACAEMP C[NH2+]CCCN(C)c1[nH+]c(C)cn1C 234388899 572002450 /nfs/dbraw/zinc/00/24/50/572002450.db2.gz FKFMOBRVHWKPLR-UHFFFAOYSA-N 2 1 196.298 0.774 10 0 ACAEMP C[NH2+]C[C@@]1(C)CC[C@]2(CC[N@@H+](C)C2)O1 686233866 572002455 /nfs/dbraw/zinc/00/24/55/572002455.db2.gz CKDHXUXDWQSZGJ-GHMZBOCLSA-N 2 1 198.310 0.849 10 0 ACAEMP CNc1[nH+]ccn1[C@H]1CC[N@@H+](C)C1 234505421 572002869 /nfs/dbraw/zinc/00/28/69/572002869.db2.gz NVPZKCIEWZKMJY-QMMMGPOBSA-N 2 1 180.255 0.801 10 0 ACAEMP C[C@H](C[NH3+])[N@H+]1C[C@H]2CSC[C@H]2C1 711549032 572003013 /nfs/dbraw/zinc/00/30/13/572003013.db2.gz YICGBTIECQYGOT-HLTSFMKQSA-N 2 1 186.324 0.628 10 0 ACAEMP C[C@H](C[NH3+])[N@@H+]1C[C@H]2CSC[C@H]2C1 711549032 572003015 /nfs/dbraw/zinc/00/30/15/572003015.db2.gz YICGBTIECQYGOT-HLTSFMKQSA-N 2 1 186.324 0.628 10 0 ACAEMP COCCC[N@H+](C)C[C@@H]([NH3+])C1CC1 68897174 572003334 /nfs/dbraw/zinc/00/33/34/572003334.db2.gz JCOMVZMSFVXMOM-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP COCCC[N@@H+](C)C[C@@H]([NH3+])C1CC1 68897174 572003339 /nfs/dbraw/zinc/00/33/39/572003339.db2.gz JCOMVZMSFVXMOM-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP C[NH2+]C[C@]1(C)CC[C@@]2(CC[N@@H+](C)C2)O1 686233872 572003427 /nfs/dbraw/zinc/00/34/27/572003427.db2.gz CKDHXUXDWQSZGJ-QWRGUYRKSA-N 2 1 198.310 0.849 10 0 ACAEMP CC(C)[C@H](O)C[N@@H+](C)[C@@H](C)CC[NH3+] 300880786 572003998 /nfs/dbraw/zinc/00/39/98/572003998.db2.gz MTDXXQOLJVSBHM-VHSXEESVSA-N 2 1 188.315 0.672 10 0 ACAEMP CC(C)[C@H](O)C[N@@H+](C)[C@H](C)CC[NH3+] 300880784 572004031 /nfs/dbraw/zinc/00/40/31/572004031.db2.gz MTDXXQOLJVSBHM-NXEZZACHSA-N 2 1 188.315 0.672 10 0 ACAEMP C[NH2+]CC1CCN(c2[nH]cc[nH+]2)CC1 234355899 572004535 /nfs/dbraw/zinc/00/45/35/572004535.db2.gz ONOFJDPEXFNFRZ-UHFFFAOYSA-N 2 1 194.282 0.846 10 0 ACAEMP C[NH2+]CCOCC[N@@H+](C)C1CC1 234390084 572004550 /nfs/dbraw/zinc/00/45/50/572004550.db2.gz PPLFNXAIZDTFJP-UHFFFAOYSA-N 2 1 172.272 0.317 10 0 ACAEMP CC(C)[C@@H](O)C[N@@H+](C)[C@H](C)CC[NH3+] 300880788 572005494 /nfs/dbraw/zinc/00/54/94/572005494.db2.gz MTDXXQOLJVSBHM-ZJUUUORDSA-N 2 1 188.315 0.672 10 0 ACAEMP C[NH2+]CCCN(C)c1[nH]cc[nH+]1 234390018 572004950 /nfs/dbraw/zinc/00/49/50/572004950.db2.gz FGRRETMWVXOTEZ-UHFFFAOYSA-N 2 1 168.244 0.455 10 0 ACAEMP CC[N@@H+](CC1CC1)[C@]1(CN)CCOC1 68946415 572005313 /nfs/dbraw/zinc/00/53/13/572005313.db2.gz UXNPVFJLKVENFA-NSHDSACASA-N 2 1 198.310 0.836 10 0 ACAEMP CC[N@H+](CC1CC1)[C@]1(C[NH3+])CCOC1 68946415 572005317 /nfs/dbraw/zinc/00/53/17/572005317.db2.gz UXNPVFJLKVENFA-NSHDSACASA-N 2 1 198.310 0.836 10 0 ACAEMP CC[N@@H+](CC1CC1)[C@]1(C[NH3+])CCOC1 68946415 572005320 /nfs/dbraw/zinc/00/53/20/572005320.db2.gz UXNPVFJLKVENFA-NSHDSACASA-N 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82477473 572038627 /nfs/dbraw/zinc/03/86/27/572038627.db2.gz MGLMGLLNBRPFJR-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@H]1C[N@H+](CCCCO)C[C@@H]1[NH3+] 235592633 572038644 /nfs/dbraw/zinc/03/86/44/572038644.db2.gz YTYIWBSJRXYJDQ-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@H]1C[N@@H+](CCCCO)C[C@@H]1[NH3+] 235592633 572038646 /nfs/dbraw/zinc/03/86/46/572038646.db2.gz YTYIWBSJRXYJDQ-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CC[C@@]2(CC[C@@H](C[NH3+])O2)C1 686232815 572038730 /nfs/dbraw/zinc/03/87/30/572038730.db2.gz KYLWALMLSOZDLP-IUCAKERBSA-N 2 1 170.256 0.198 10 0 ACAEMP CC[C@H]1CN(CCC[NH2+]C)CC[N@H+]1C 82477976 572038739 /nfs/dbraw/zinc/03/87/39/572038739.db2.gz CYOUVTUSSFNLLL-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP CC[C@H]1CN(CCC[NH3+])CC[N@H+]1C 82477469 572038817 /nfs/dbraw/zinc/03/88/17/572038817.db2.gz MDAAZZQFYJNRQV-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP CC[C@@H](CN1CC[N@@H+](C)[C@H](C)C1)[NH2+]C 82477817 572038956 /nfs/dbraw/zinc/03/89/56/572038956.db2.gz 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KYLWALMLSOZDLP-RKDXNWHRSA-N 2 1 170.256 0.198 10 0 ACAEMP CC[C@@H]1C[N@@H+](CCCC[NH3+])CCN1C 82477470 572039653 /nfs/dbraw/zinc/03/96/53/572039653.db2.gz RCLNAEZWTHUDMP-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP CCC[C@H](C[NH3+])N1CC[N@@H+](C)[C@H](C)C1 82477540 572039661 /nfs/dbraw/zinc/03/96/61/572039661.db2.gz IGRHHAAZSYZYAN-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H]([C@@H](C)[NH3+])N1CC[N@@H+](C)[C@@H](C)C1 82477824 572039751 /nfs/dbraw/zinc/03/97/51/572039751.db2.gz CRVPJFXPLKADDR-AEJSXWLSSA-N 2 1 185.315 0.358 10 0 ACAEMP C[C@H]1CN(CC[NH2+]C2CC2)CC[N@H+]1C 82477852 572040289 /nfs/dbraw/zinc/04/02/89/572040289.db2.gz VDYGOIACXORLKK-JTQLQIEISA-N 2 1 197.326 0.374 10 0 ACAEMP CC[N@H+]1CCN([C@@H](C)C[NH2+]C)C[C@@H]1C 82485102 572040049 /nfs/dbraw/zinc/04/00/49/572040049.db2.gz NJQNDTFDCOOVMQ-QWRGUYRKSA-N 2 1 199.342 0.620 10 0 ACAEMP C1CC[N@H+](C[C@@H]2CCCO2)CC[NH2+]C1 219721410 572040140 /nfs/dbraw/zinc/04/01/40/572040140.db2.gz MIOZKCFFJHMWOY-NSHDSACASA-N 2 1 198.310 0.851 10 0 ACAEMP CC[NH2+]CCN1CC[N@@H+](C)[C@H](C)C1 82477786 572040223 /nfs/dbraw/zinc/04/02/23/572040223.db2.gz WULYNLQTWISXCS-SNVBAGLBSA-N 2 1 185.315 0.232 10 0 ACAEMP CC[N@H+]1CCN(CC[C@@H](C)[NH3+])C[C@@H]1C 82477913 572040318 /nfs/dbraw/zinc/04/03/18/572040318.db2.gz GAMDNTYWSOAVNM-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@H]1C[N@@H+](CCCC[NH3+])CCN1C 82477471 572040325 /nfs/dbraw/zinc/04/03/25/572040325.db2.gz RCLNAEZWTHUDMP-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CCC[C@@H]([NH3+])CN1CC[N@@H+](C)[C@H](C)C1 82477810 572040338 /nfs/dbraw/zinc/04/03/38/572040338.db2.gz AHOWGBCFKWPUCE-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@H]([NH3+])CN1CC[N@@H+](CC)[C@H](C)C1 82480126 572040343 /nfs/dbraw/zinc/04/03/43/572040343.db2.gz WTIMEMHDUKCVAW-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP CC[N@H+]1CCN(CC[NH2+]C)C[C@@H]1C 82477910 572040357 /nfs/dbraw/zinc/04/03/57/572040357.db2.gz SYEDETNNCNDGID-JTQLQIEISA-N 2 1 185.315 0.232 10 0 ACAEMP CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH3+])C1 36169352 572040371 /nfs/dbraw/zinc/04/03/71/572040371.db2.gz QFWRFJWHTUKPHX-NXEZZACHSA-N 2 1 186.299 0.428 10 0 ACAEMP CC[NH2+]CCN1CC[N@@H+](C)[C@H](CC)C1 82477945 572040818 /nfs/dbraw/zinc/04/08/18/572040818.db2.gz YMVHTGVROLPWAT-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP CC[C@@H]1CN([C@@H](C)C[NH2+]C)CC[N@H+]1C 82485144 572041083 /nfs/dbraw/zinc/04/10/83/572041083.db2.gz FXPRHYLEPALVPC-WDEREUQCSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[NH2+]CCN1CC[N@@H+](CC)[C@H](C)C1 82477902 572040446 /nfs/dbraw/zinc/04/04/46/572040446.db2.gz FEKOIMAFQFEUJK-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP CC[C@H]1CN(CC[NH2+]C)CC[N@H+]1C 82477954 572040454 /nfs/dbraw/zinc/04/04/54/572040454.db2.gz LPTOBYORTUIINC-JTQLQIEISA-N 2 1 185.315 0.232 10 0 ACAEMP CC[N@H+]1CCN(CCCC[NH3+])C[C@@H]1C 82479734 572041117 /nfs/dbraw/zinc/04/11/17/572041117.db2.gz MKQGLLQTIIHDMS-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP C[C@H]1C[N@@H+](CCC[C@@H](C)[NH3+])CCN1C 82477848 572040550 /nfs/dbraw/zinc/04/05/50/572040550.db2.gz OWJTZYGFGOOVLX-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H]1C[N@@H+](CCCC(N)=[NH2+])CCN1C 82483809 572040562 /nfs/dbraw/zinc/04/05/62/572040562.db2.gz FUWHXXUOUYLINP-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP C[C@@H]1CN(CCCC(N)=[NH2+])CC[N@@H+]1C 82483809 572040564 /nfs/dbraw/zinc/04/05/64/572040564.db2.gz FUWHXXUOUYLINP-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP C[C@@H]1CN(CCCC(N)=[NH2+])CC[N@H+]1C 82483809 572040568 /nfs/dbraw/zinc/04/05/68/572040568.db2.gz FUWHXXUOUYLINP-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP C[C@H]1C[N@@H+](CCCC[NH3+])CCN1C 82477456 572040589 /nfs/dbraw/zinc/04/05/89/572040589.db2.gz KYNBDBWTTVLIDN-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP CC[C@@H]1CN(CC[C@@H](C)[NH3+])CC[N@H+]1C 82477959 572040705 /nfs/dbraw/zinc/04/07/05/572040705.db2.gz FEBAHYVHVHBAHQ-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[N@H+]1CCN(C[C@@H](C)C[NH3+])C[C@@H]1C 82479737 572040728 /nfs/dbraw/zinc/04/07/28/572040728.db2.gz IHEIZLZUVQYNJP-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP CCN1CC[N@H+](C[C@@H](C)C[NH3+])C[C@@H]1C 82479737 572040731 /nfs/dbraw/zinc/04/07/31/572040731.db2.gz IHEIZLZUVQYNJP-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP CCN1CC[N@@H+](C[C@@H](C)C[NH3+])C[C@@H]1C 82479737 572040734 /nfs/dbraw/zinc/04/07/34/572040734.db2.gz IHEIZLZUVQYNJP-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@@H]1C[N@@H+](CCCC[NH3+])CCN1C 82477455 572040778 /nfs/dbraw/zinc/04/07/78/572040778.db2.gz KYNBDBWTTVLIDN-SNVBAGLBSA-N 2 1 185.315 0.361 10 0 ACAEMP CC[C@@H]1CN([C@@H](C)CC[NH3+])CC[N@H+]1C 82479745 572040784 /nfs/dbraw/zinc/04/07/84/572040784.db2.gz OJAIVMDEKAPJEK-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@@H]1C[N@@H+]([C@@H](C)CC[NH3+])CCN1C 82479745 572040785 /nfs/dbraw/zinc/04/07/85/572040785.db2.gz OJAIVMDEKAPJEK-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@@H]1C[N@H+]([C@@H](C)CC[NH3+])CCN1C 82479745 572040787 /nfs/dbraw/zinc/04/07/87/572040787.db2.gz OJAIVMDEKAPJEK-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[N@H+]1CCN(CCC[NH3+])C[C@@H]1C 82479732 572040795 /nfs/dbraw/zinc/04/07/95/572040795.db2.gz RCGXIUZQDLDRAS-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP [NH3+]C1(CC[NH+]2CCCCCC2)COC1 219721635 572040802 /nfs/dbraw/zinc/04/08/02/572040802.db2.gz MEMNPJLEVOREIA-UHFFFAOYSA-N 2 1 198.310 0.980 10 0 ACAEMP CC[C@@H](C[NH3+])N1CC[N@@H+](C)[C@@H](CC)C1 82479766 572040830 /nfs/dbraw/zinc/04/08/30/572040830.db2.gz RJXOHNXJFODTGH-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[NH2+]C[C@@H](C)N1CC[N@@H+](C)[C@H](C)C1 82485048 572040846 /nfs/dbraw/zinc/04/08/46/572040846.db2.gz NIMSMURDZVCOEH-GHMZBOCLSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[C@@H]1CN(CCC(N)=[NH2+])CC[N@H+]1C 82483840 572041130 /nfs/dbraw/zinc/04/11/30/572041130.db2.gz ZBPGUPNYAAPMOT-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP C[NH2+][C@H](C)CCN1CC[N@@H+](C)[C@@H](C)C1 82477800 572040976 /nfs/dbraw/zinc/04/09/76/572040976.db2.gz TWQGDQIPALBARW-MNOVXSKESA-N 2 1 199.342 0.620 10 0 ACAEMP C[C@@H]1CN(CC[NH2+]C2CC2)CC[N@H+]1C 82477851 572041022 /nfs/dbraw/zinc/04/10/22/572041022.db2.gz VDYGOIACXORLKK-SNVBAGLBSA-N 2 1 197.326 0.374 10 0 ACAEMP CC[NH2+]CCN1CC[N@@H+](C)[C@@H](CC)C1 82477946 572041063 /nfs/dbraw/zinc/04/10/63/572041063.db2.gz YMVHTGVROLPWAT-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP C[NH2+][C@H](C)CCN1CC[N@@H+](C)[C@H](C)C1 82477799 572041090 /nfs/dbraw/zinc/04/10/90/572041090.db2.gz TWQGDQIPALBARW-GHMZBOCLSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[N@@H+]1CCN(CCCC[NH3+])C[C@@H]1C 82479734 572041116 /nfs/dbraw/zinc/04/11/16/572041116.db2.gz MKQGLLQTIIHDMS-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CCN1CC[N@@H+](CCCC[NH3+])C[C@@H]1C 82479734 572041114 /nfs/dbraw/zinc/04/11/14/572041114.db2.gz MKQGLLQTIIHDMS-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH3+])C1 36169353 572042126 /nfs/dbraw/zinc/04/21/26/572042126.db2.gz QFWRFJWHTUKPHX-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP C[NH+](C)C1CCN(CCCC[NH3+])CC1 36191274 572042493 /nfs/dbraw/zinc/04/24/93/572042493.db2.gz VVRNXYONKAEIKL-UHFFFAOYSA-N 2 1 199.342 0.751 10 0 ACAEMP CN(C)C1CC[NH+](CCCC[NH3+])CC1 36191274 572042496 /nfs/dbraw/zinc/04/24/96/572042496.db2.gz VVRNXYONKAEIKL-UHFFFAOYSA-N 2 1 199.342 0.751 10 0 ACAEMP C[C@H]1C[C@@H]1C[NH2+]C1(C[NH3+])CC1 235593435 572042758 /nfs/dbraw/zinc/04/27/58/572042758.db2.gz UYFXIFMSUVLWLK-JGVFFNPUSA-N 2 1 154.257 0.723 10 0 ACAEMP C[NH2+][C@H](CCOC)C(C)(C)[NH+](C)C 687702767 572043819 /nfs/dbraw/zinc/04/38/19/572043819.db2.gz YADAVNHVXSSKCU-SECBINFHSA-N 2 1 188.315 0.951 10 0 ACAEMP CSC[C@@H](C)C[NH2+][C@@H](C)C[NH3+] 235059239 572044011 /nfs/dbraw/zinc/04/40/11/572044011.db2.gz MAYDLRHEIUXTOA-YUMQZZPRSA-N 2 1 176.329 0.922 10 0 ACAEMP C[NH2+][C@@H](CCOC)C(C)(C)[NH+](C)C 687702768 572044238 /nfs/dbraw/zinc/04/42/38/572044238.db2.gz YADAVNHVXSSKCU-VIFPVBQESA-N 2 1 188.315 0.951 10 0 ACAEMP CSC[C@@H](C)C[NH2+][C@H](C)C[NH3+] 235060379 572044247 /nfs/dbraw/zinc/04/42/47/572044247.db2.gz MAYDLRHEIUXTOA-JGVFFNPUSA-N 2 1 176.329 0.922 10 0 ACAEMP CC[C@H]([NH3+])[C@H](C)N1CC[N@@H+](C)C[C@@H]1C 234037186 572045258 /nfs/dbraw/zinc/04/52/58/572045258.db2.gz LVMSIZWOTROORZ-DCAQKATOSA-N 2 1 199.342 0.748 10 0 ACAEMP CC1(C)C[N@@H+](CCCC[NH3+])CCO1 36231952 572045422 /nfs/dbraw/zinc/04/54/22/572045422.db2.gz YDNIYAWZWKLYAH-UHFFFAOYSA-N 2 1 186.299 0.836 10 0 ACAEMP C[N@H+](CCC(N)=[NH2+])C[C@@H]1CCCCO1 36231091 572045409 /nfs/dbraw/zinc/04/54/09/572045409.db2.gz DQQGCGCNPQLRAM-VIFPVBQESA-N 2 1 199.298 0.813 10 0 ACAEMP C[N@@H+](CCC(N)=[NH2+])C[C@@H]1CCCCO1 36231091 572045413 /nfs/dbraw/zinc/04/54/13/572045413.db2.gz DQQGCGCNPQLRAM-VIFPVBQESA-N 2 1 199.298 0.813 10 0 ACAEMP C[C@H](C[N@H+]1CCC[C@H](CO)C1)C(N)=[NH2+] 36227306 572045584 /nfs/dbraw/zinc/04/55/84/572045584.db2.gz XORZZTYBWNJORJ-BDAKNGLRSA-N 2 1 199.298 0.263 10 0 ACAEMP NC(=[NH2+])CCC[N@H+]1CCC[C@@H](CO)C1 36227301 572046156 /nfs/dbraw/zinc/04/61/56/572046156.db2.gz LXNFHKWTLSPJTO-SECBINFHSA-N 2 1 199.298 0.407 10 0 ACAEMP [NH3+]CCCC[N@H+]1CCC[C@@H](CO)C1 36226841 572046432 /nfs/dbraw/zinc/04/64/32/572046432.db2.gz BPYMBSBEMOQFMQ-SNVBAGLBSA-N 2 1 186.299 0.430 10 0 ACAEMP C[C@@H](C[N@H+]1CCC[C@H](CO)C1)C(N)=[NH2+] 36227305 572046610 /nfs/dbraw/zinc/04/66/10/572046610.db2.gz XORZZTYBWNJORJ-IUCAKERBSA-N 2 1 199.298 0.263 10 0 ACAEMP C[C@H](CCC[NH3+])[N@@H+](C)CCN(C)C 82543797 572046845 /nfs/dbraw/zinc/04/68/45/572046845.db2.gz HJGNMXZNDBNDHT-SNVBAGLBSA-N 2 1 187.331 0.607 10 0 ACAEMP NC(=[NH2+])CC[N@H+]1CC[C@@]2(CCOC2)C1 687886899 572046928 /nfs/dbraw/zinc/04/69/28/572046928.db2.gz GZFPUIOTGLZQNX-SNVBAGLBSA-N 2 1 197.282 0.425 10 0 ACAEMP CCC(=[NH2+])N(C)CC[NH+](C)C 82544121 572047165 /nfs/dbraw/zinc/04/71/65/572047165.db2.gz USDYQGKCSNPBEK-UHFFFAOYSA-N 2 1 157.261 0.867 10 0 ACAEMP CC(=O)O[C@H]1CC[N@@H+]2C[C@@H]([NH3+])CC[C@H]12 33961718 572047070 /nfs/dbraw/zinc/04/70/70/572047070.db2.gz YYIUHLPAZILPSG-AEJSXWLSSA-N 2 1 198.266 0.114 10 0 in-vitro ACAEMP CC(=O)O[C@H]1CC[N@H+]2C[C@@H]([NH3+])CC[C@H]12 33961718 572047072 /nfs/dbraw/zinc/04/70/72/572047072.db2.gz YYIUHLPAZILPSG-AEJSXWLSSA-N 2 1 198.266 0.114 10 0 in-vitro ACAEMP NC(=[NH2+])CC[N@H+]1CC[C@]2(CCOC2)C1 687886893 572047282 /nfs/dbraw/zinc/04/72/82/572047282.db2.gz GZFPUIOTGLZQNX-JTQLQIEISA-N 2 1 197.282 0.425 10 0 ACAEMP NC(=[NH2+])CCC[N@H+]1CCC[C@H](CO)C1 36227300 572047421 /nfs/dbraw/zinc/04/74/21/572047421.db2.gz LXNFHKWTLSPJTO-VIFPVBQESA-N 2 1 199.298 0.407 10 0 ACAEMP CC(=O)O[C@@H]1CC[N@@H+]2C[C@@H]([NH3+])CC[C@H]12 33961717 572047491 /nfs/dbraw/zinc/04/74/91/572047491.db2.gz YYIUHLPAZILPSG-IVZWLZJFSA-N 2 1 198.266 0.114 10 0 ACAEMP CC(=O)O[C@@H]1CC[N@H+]2C[C@@H]([NH3+])CC[C@H]12 33961717 572047495 /nfs/dbraw/zinc/04/74/95/572047495.db2.gz YYIUHLPAZILPSG-IVZWLZJFSA-N 2 1 198.266 0.114 10 0 ACAEMP NC(=[NH2+])CC[N@H+]1CCC[C@H](CO)C1 36227298 572047572 /nfs/dbraw/zinc/04/75/72/572047572.db2.gz MSJXOWZKTRNCTN-QMMMGPOBSA-N 2 1 185.271 0.017 10 0 ACAEMP [NH3+]CCCC[N@H+]1CCC[C@H](CO)C1 36226839 572047599 /nfs/dbraw/zinc/04/75/99/572047599.db2.gz BPYMBSBEMOQFMQ-JTQLQIEISA-N 2 1 186.299 0.430 10 0 ACAEMP C[C@@H](CCC[NH3+])[N@@H+](C)CCN(C)C 82543796 572047623 /nfs/dbraw/zinc/04/76/23/572047623.db2.gz HJGNMXZNDBNDHT-JTQLQIEISA-N 2 1 187.331 0.607 10 0 ACAEMP COCC[N@@H+](C)C[C@H]1C[NH2+]C[C@H]1C 82560610 572049293 /nfs/dbraw/zinc/04/92/93/572049293.db2.gz AQCJALPSDNSCDN-NXEZZACHSA-N 2 1 186.299 0.420 10 0 ACAEMP C[C@@H]1C[C@]2(CC[C@H](C[NH3+])O2)CC[N@H+]1C 686228268 572049825 /nfs/dbraw/zinc/04/98/25/572049825.db2.gz FCXLCDYUMQTANE-MXWKQRLJSA-N 2 1 198.310 0.977 10 0 ACAEMP COCC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C 82560611 572050480 /nfs/dbraw/zinc/05/04/80/572050480.db2.gz AQCJALPSDNSCDN-VHSXEESVSA-N 2 1 186.299 0.420 10 0 ACAEMP COCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560613 572050587 /nfs/dbraw/zinc/05/05/87/572050587.db2.gz AQCJALPSDNSCDN-UWVGGRQHSA-N 2 1 186.299 0.420 10 0 ACAEMP CCN1CCC[N@@H+](C)C[C@H]1CC[NH3+] 250218532 572050592 /nfs/dbraw/zinc/05/05/92/572050592.db2.gz DLROFPNCWZGLEU-SNVBAGLBSA-N 2 1 185.315 0.361 10 0 ACAEMP C[C@@H]1C[C@@]2(CC[C@H](C[NH3+])O2)CC[N@H+]1C 686228263 572050697 /nfs/dbraw/zinc/05/06/97/572050697.db2.gz FCXLCDYUMQTANE-GMTAPVOTSA-N 2 1 198.310 0.977 10 0 ACAEMP C[C@H]1C[C@H]1C[NH2+]C1(C[NH3+])CC1 235608476 572051151 /nfs/dbraw/zinc/05/11/51/572051151.db2.gz UYFXIFMSUVLWLK-YUMQZZPRSA-N 2 1 154.257 0.723 10 0 ACAEMP CC[N@H+]1C[C@@H](C)NC[C@](C)(O)C1 250212623 572051181 /nfs/dbraw/zinc/05/11/81/572051181.db2.gz CTIKZVHGWXTZII-BDAKNGLRSA-N 2 1 172.272 0.051 10 0 ACAEMP CC[N@@H+]1C[C@@H](C)[NH2+]C[C@](C)(O)C1 250212623 572051184 /nfs/dbraw/zinc/05/11/84/572051184.db2.gz CTIKZVHGWXTZII-BDAKNGLRSA-N 2 1 172.272 0.051 10 0 ACAEMP C[C@@H]1C[C@@]2(CC[C@@H](C[NH3+])O2)CC[N@H+]1C 686228270 572051285 /nfs/dbraw/zinc/05/12/85/572051285.db2.gz FCXLCDYUMQTANE-OUAUKWLOSA-N 2 1 198.310 0.977 10 0 ACAEMP CCOCC[C@H]([NH3+])C[NH+]1CCCC1 687704520 572051308 /nfs/dbraw/zinc/05/13/08/572051308.db2.gz LWMZGXKSVRBJBT-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP CC[N@H+]1C[C@H](C)NC[C@](C)(O)C1 250212627 572051451 /nfs/dbraw/zinc/05/14/51/572051451.db2.gz CTIKZVHGWXTZII-IUCAKERBSA-N 2 1 172.272 0.051 10 0 ACAEMP CC[N@@H+]1C[C@H](C)[NH2+]C[C@](C)(O)C1 250212627 572051454 /nfs/dbraw/zinc/05/14/54/572051454.db2.gz CTIKZVHGWXTZII-IUCAKERBSA-N 2 1 172.272 0.051 10 0 ACAEMP C[C@H]([NH3+])CCC[N@@H+](C)CCN(C)C 82540717 572051534 /nfs/dbraw/zinc/05/15/34/572051534.db2.gz YGNDQTGVOJCHGF-JTQLQIEISA-N 2 1 187.331 0.607 10 0 ACAEMP C[C@H]([NH3+])CCCN(C)CC[NH+](C)C 82540717 572051537 /nfs/dbraw/zinc/05/15/37/572051537.db2.gz YGNDQTGVOJCHGF-JTQLQIEISA-N 2 1 187.331 0.607 10 0 ACAEMP C[C@@H]1C[C@]2(CC[C@@H](C[NH3+])O2)CC[N@H+]1C 686228271 572051561 /nfs/dbraw/zinc/05/15/61/572051561.db2.gz FCXLCDYUMQTANE-VWYCJHECSA-N 2 1 198.310 0.977 10 0 ACAEMP CC[C@H](CC[NH3+])[N@H+](C)CCN(C)C 82539845 572051604 /nfs/dbraw/zinc/05/16/04/572051604.db2.gz UCIVOOIEJJKZCD-SNVBAGLBSA-N 2 1 187.331 0.607 10 0 ACAEMP CC[C@H](CC[NH3+])[N@@H+](C)CCN(C)C 82539845 572051605 /nfs/dbraw/zinc/05/16/05/572051605.db2.gz UCIVOOIEJJKZCD-SNVBAGLBSA-N 2 1 187.331 0.607 10 0 ACAEMP COC[C@@H](C)[C@H]([NH3+])C[NH+]1CCCC1 687705221 572051912 /nfs/dbraw/zinc/05/19/12/572051912.db2.gz VWXDSCGDRFTEFR-NXEZZACHSA-N 2 1 186.299 0.692 10 0 ACAEMP C[C@@H](CC[NH3+])C[N@H+]1CCN(C)C[C@@H]1C 235073812 572051922 /nfs/dbraw/zinc/05/19/22/572051922.db2.gz YPYALBQYRZVWIX-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP CC[N@H+]1C[C@@H](C)CN(C)[C@@H](CN)C1 250215344 572051952 /nfs/dbraw/zinc/05/19/52/572051952.db2.gz DCIJWUKJMKCIIM-UWVGGRQHSA-N 2 1 185.315 0.217 10 0 ACAEMP CC[N@@H+]1C[C@@H](C)CN(C)[C@@H](C[NH3+])C1 250215344 572051954 /nfs/dbraw/zinc/05/19/54/572051954.db2.gz DCIJWUKJMKCIIM-UWVGGRQHSA-N 2 1 185.315 0.217 10 0 ACAEMP CC[N@H+]1C[C@@H](C)CN(C)[C@@H](C[NH3+])C1 250215344 572051957 /nfs/dbraw/zinc/05/19/57/572051957.db2.gz DCIJWUKJMKCIIM-UWVGGRQHSA-N 2 1 185.315 0.217 10 0 ACAEMP [NH3+][C@@H](C[C@@H]1CCCO1)C[NH+]1CCCC1 687705055 572051996 /nfs/dbraw/zinc/05/19/96/572051996.db2.gz RUWUNFDMLXQWSF-QWRGUYRKSA-N 2 1 198.310 0.979 10 0 ACAEMP CN(C)CC[N@@H+](C)CC1CC[NH2+]CC1 82541706 572052026 /nfs/dbraw/zinc/05/20/26/572052026.db2.gz PVBRFNLBZOUOJU-UHFFFAOYSA-N 2 1 199.342 0.479 10 0 ACAEMP [NH3+][C@@H](C[C@H]1CCCO1)C[NH+]1CCCC1 687705056 572052072 /nfs/dbraw/zinc/05/20/72/572052072.db2.gz RUWUNFDMLXQWSF-WDEREUQCSA-N 2 1 198.310 0.979 10 0 ACAEMP CC[C@@H](CC[NH3+])[N@H+](C)CCN(C)C 82539843 572052131 /nfs/dbraw/zinc/05/21/31/572052131.db2.gz UCIVOOIEJJKZCD-JTQLQIEISA-N 2 1 187.331 0.607 10 0 ACAEMP CC[C@@H](CC[NH3+])[N@@H+](C)CCN(C)C 82539843 572052136 /nfs/dbraw/zinc/05/21/36/572052136.db2.gz UCIVOOIEJJKZCD-JTQLQIEISA-N 2 1 187.331 0.607 10 0 ACAEMP [NH3+][C@H](C[C@@H]1CCCO1)C[NH+]1CCCC1 687705054 572052182 /nfs/dbraw/zinc/05/21/82/572052182.db2.gz RUWUNFDMLXQWSF-MNOVXSKESA-N 2 1 198.310 0.979 10 0 ACAEMP CN(C)CC[N@H+](C)CCCC(N)=[NH2+] 82542052 572052311 /nfs/dbraw/zinc/05/23/11/572052311.db2.gz YLERDNGPJFREJN-UHFFFAOYSA-N 2 1 186.303 0.196 10 0 ACAEMP CN(C)CC[N@@H+](C)CCCC(N)=[NH2+] 82542052 572052313 /nfs/dbraw/zinc/05/23/13/572052313.db2.gz YLERDNGPJFREJN-UHFFFAOYSA-N 2 1 186.303 0.196 10 0 ACAEMP [NH3+][C@H](C[C@H]1CCCO1)C[NH+]1CCCC1 687705053 572052518 /nfs/dbraw/zinc/05/25/18/572052518.db2.gz RUWUNFDMLXQWSF-GHMZBOCLSA-N 2 1 198.310 0.979 10 0 ACAEMP COC[C@H](C)[C@H]([NH3+])C[NH+]1CCCC1 687705224 572052653 /nfs/dbraw/zinc/05/26/53/572052653.db2.gz VWXDSCGDRFTEFR-VHSXEESVSA-N 2 1 186.299 0.692 10 0 ACAEMP CN(C)CC[N@@H+](C)CCCCC[NH3+] 82539825 572052742 /nfs/dbraw/zinc/05/27/42/572052742.db2.gz CXSSFPHRHCVOHL-UHFFFAOYSA-N 2 1 187.331 0.609 10 0 ACAEMP CN(CCCCC[NH3+])CC[NH+](C)C 82539825 572052745 /nfs/dbraw/zinc/05/27/45/572052745.db2.gz CXSSFPHRHCVOHL-UHFFFAOYSA-N 2 1 187.331 0.609 10 0 ACAEMP COC[C@H](C)[C@@H]([NH3+])C[NH+]1CCCC1 687705222 572052967 /nfs/dbraw/zinc/05/29/67/572052967.db2.gz VWXDSCGDRFTEFR-UWVGGRQHSA-N 2 1 186.299 0.692 10 0 ACAEMP C[C@H]1C[C@@H](C)N[C@@H](C)[NH2+]1 34085434 572052983 /nfs/dbraw/zinc/05/29/83/572052983.db2.gz VXIKTRXNQQSCEB-KVSKUHBBSA-N 2 1 128.219 0.692 10 0 ACAEMP 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SGZIIWSQLLQPNX-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@H](C[N@@H+](C)C1CCOCC1)C(N)=[NH2+] 36321359 572053937 /nfs/dbraw/zinc/05/39/37/572053937.db2.gz QEBHOKLCDQYJGP-MRVPVSSYSA-N 2 1 199.298 0.669 10 0 ACAEMP CC[N@@H+]1C[C@H](C)C[C@@H]([NH2+]C)C1 250217604 572054120 /nfs/dbraw/zinc/05/41/20/572054120.db2.gz DIVGSYJIEVLDIE-RKDXNWHRSA-N 2 1 156.273 0.936 10 0 ACAEMP CC[N@H+]1C[C@H](C)C[C@@H]([NH2+]C)C1 250217604 572054122 /nfs/dbraw/zinc/05/41/22/572054122.db2.gz DIVGSYJIEVLDIE-RKDXNWHRSA-N 2 1 156.273 0.936 10 0 ACAEMP C[NH+](C)CCC[N@@H+](C)CC(N)=S 82541598 572054217 /nfs/dbraw/zinc/05/42/17/572054217.db2.gz LLPKORBZQFGWRR-UHFFFAOYSA-N 2 1 189.328 0.156 10 0 ACAEMP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[NH2+]1 235086736 572054340 /nfs/dbraw/zinc/05/43/40/572054340.db2.gz PZDWQUXSPUGHPX-IUCAKERBSA-N 2 1 172.272 0.099 10 0 ACAEMP C[C@@H](CCCO)[NH2+]C1(C[NH3+])CC1 235089679 572054450 /nfs/dbraw/zinc/05/44/50/572054450.db2.gz WEZMGWFPFRUMME-QMMMGPOBSA-N 2 1 172.272 0.228 10 0 ACAEMP CC[C@@H]1COCC[N@H+]1CCCC[NH3+] 36322981 572054460 /nfs/dbraw/zinc/05/44/60/572054460.db2.gz CJPPGQDDDHAYQA-SNVBAGLBSA-N 2 1 186.299 0.836 10 0 ACAEMP C[C@@H](CCO)[NH2+]C[C@H]1CCC[NH2+]1 235087325 572054568 /nfs/dbraw/zinc/05/45/68/572054568.db2.gz PZDWQUXSPUGHPX-DTWKUNHWSA-N 2 1 172.272 0.099 10 0 ACAEMP Cc1[nH+]ccn1CCN(C)C[C@@H](C)[NH3+] 82594992 572054593 /nfs/dbraw/zinc/05/45/93/572054593.db2.gz NDVDAJDFFHOOTK-SECBINFHSA-N 3 1 196.298 0.471 10 0 ACAEMP CCC[N@H+](CC)[C@H]1COCC[C@@H]1[NH3+] 36305389 572054624 /nfs/dbraw/zinc/05/46/24/572054624.db2.gz SGZIIWSQLLQPNX-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP CCC[N@@H+](CC)[C@H]1COCC[C@@H]1[NH3+] 36305389 572054628 /nfs/dbraw/zinc/05/46/28/572054628.db2.gz SGZIIWSQLLQPNX-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@@H](O)CC[N@@H+](C)CCC[NH+](C)C 82543190 572054739 /nfs/dbraw/zinc/05/47/39/572054739.db2.gz UFXJITTUPXCGHM-SNVBAGLBSA-N 2 1 188.315 0.641 10 0 ACAEMP CC[C@H]1COCC[N@H+]1CCCC[NH3+] 36322984 572054894 /nfs/dbraw/zinc/05/48/94/572054894.db2.gz CJPPGQDDDHAYQA-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP C[C@@H]([C@@H](C)O)[N@@H+](C)CCC[NH+](C)C 82543215 572054929 /nfs/dbraw/zinc/05/49/29/572054929.db2.gz FIRCFNNGGHKRNN-VHSXEESVSA-N 2 1 188.315 0.639 10 0 ACAEMP CC[C@H](O)C[N@@H+](C)CCC[NH+](C)C 82542910 572055064 /nfs/dbraw/zinc/05/50/64/572055064.db2.gz MJBIVEXRYDWOIW-JTQLQIEISA-N 2 1 188.315 0.641 10 0 ACAEMP CC[C@H]1COCC[N@@H+]1C[C@@H](C)C[NH3+] 36323046 572055272 /nfs/dbraw/zinc/05/52/72/572055272.db2.gz PGQOBHAGPLYZSF-UWVGGRQHSA-N 2 1 186.299 0.692 10 0 ACAEMP CC[C@H]1COCC[N@H+]1C[C@@H](C)C[NH3+] 36323046 572055275 /nfs/dbraw/zinc/05/52/75/572055275.db2.gz PGQOBHAGPLYZSF-UWVGGRQHSA-N 2 1 186.299 0.692 10 0 ACAEMP CC[C@@H]1COCC[N@H+]1C[C@@H](C)C[NH3+] 36323043 572055571 /nfs/dbraw/zinc/05/55/71/572055571.db2.gz PGQOBHAGPLYZSF-VHSXEESVSA-N 2 1 186.299 0.692 10 0 ACAEMP Cc1[nH+]ccn1CCN(C)C[C@H](C)[NH3+] 82594993 572055517 /nfs/dbraw/zinc/05/55/17/572055517.db2.gz NDVDAJDFFHOOTK-VIFPVBQESA-N 3 1 196.298 0.471 10 0 ACAEMP CC[C@@H]1COCC[N@@H+]1C[C@@H](C)C[NH3+] 36323043 572055568 /nfs/dbraw/zinc/05/55/68/572055568.db2.gz PGQOBHAGPLYZSF-VHSXEESVSA-N 2 1 186.299 0.692 10 0 ACAEMP Cc1cccc(NCCOCC[NH3+])[nH+]1 82592219 572055765 /nfs/dbraw/zinc/05/57/65/572055765.db2.gz HNCSXBBKCCPJDZ-UHFFFAOYSA-N 2 1 195.266 0.777 10 0 ACAEMP C[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H]1CC[NH3+] 82594386 572055875 /nfs/dbraw/zinc/05/58/75/572055875.db2.gz YPSWVANQSIRBMB-DTWKUNHWSA-N 2 1 199.298 0.064 10 0 ACAEMP C[C@@H](C(N)=O)[N@H+]1CCCC[C@@H]1CC[NH3+] 82594386 572055879 /nfs/dbraw/zinc/05/58/79/572055879.db2.gz YPSWVANQSIRBMB-DTWKUNHWSA-N 2 1 199.298 0.064 10 0 ACAEMP CCN(CC[NH3+])c1[nH+]ccn1CC 82591959 572055925 /nfs/dbraw/zinc/05/59/25/572055925.db2.gz YPKZVAZPZZIDTD-UHFFFAOYSA-N 2 1 182.271 0.688 10 0 ACAEMP CCn1cc[nH+]c1N(C)C[C@H](C)[NH3+] 82592534 572056176 /nfs/dbraw/zinc/05/61/76/572056176.db2.gz ZMMMNAJPYFMHJI-QMMMGPOBSA-N 2 1 182.271 0.686 10 0 ACAEMP CC[C@@H](O)C[N@@H+](C)CCC[NH+](C)C 82542913 572056329 /nfs/dbraw/zinc/05/63/29/572056329.db2.gz MJBIVEXRYDWOIW-SNVBAGLBSA-N 2 1 188.315 0.641 10 0 ACAEMP C[C@@H](O)[C@@H](C)[N@@H+](C)CCC[NH+](C)C 82543216 572056414 /nfs/dbraw/zinc/05/64/14/572056414.db2.gz FIRCFNNGGHKRNN-NXEZZACHSA-N 2 1 188.315 0.639 10 0 ACAEMP CCN(CC[NH3+])c1[nH+]ccn1C 82591935 572056435 /nfs/dbraw/zinc/05/64/35/572056435.db2.gz TYDDJAHMQFTWTI-UHFFFAOYSA-N 2 1 168.244 0.205 10 0 ACAEMP C[C@H](O)[C@@H](C)[N@@H+](C)CCC[NH+](C)C 82543218 572056446 /nfs/dbraw/zinc/05/64/46/572056446.db2.gz FIRCFNNGGHKRNN-ZJUUUORDSA-N 2 1 188.315 0.639 10 0 ACAEMP C[N@@H+](CCCC(N)=[NH2+])C1CCOCC1 36321344 572056464 /nfs/dbraw/zinc/05/64/64/572056464.db2.gz JDAWAGOXRSQIDX-UHFFFAOYSA-N 2 1 199.298 0.813 10 0 ACAEMP Cc1ccc[nH+]c1NCCOCC[NH3+] 82592166 572056483 /nfs/dbraw/zinc/05/64/83/572056483.db2.gz OXRMNRIFHWMJSS-UHFFFAOYSA-N 2 1 195.266 0.777 10 0 ACAEMP NC[C@@H]1CCC[N@H+]1CCCCCO 82595140 572056644 /nfs/dbraw/zinc/05/66/44/572056644.db2.gz GENIDGSNLDIYOY-JTQLQIEISA-N 2 1 186.299 0.572 10 0 ACAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCCCO 82595140 572056648 /nfs/dbraw/zinc/05/66/48/572056648.db2.gz GENIDGSNLDIYOY-JTQLQIEISA-N 2 1 186.299 0.572 10 0 ACAEMP C[N@@H+](CCC(N)=[NH2+])C1CCOCC1 36321342 572056686 /nfs/dbraw/zinc/05/66/86/572056686.db2.gz REVLSKMGMWVHFA-UHFFFAOYSA-N 2 1 185.271 0.423 10 0 ACAEMP [NH3+]C[C@@]1([NH3+])CCc2cccc(F)c2C1 34116026 572056779 /nfs/dbraw/zinc/05/67/79/572056779.db2.gz JEWCXDUXCANFJA-LLVKDONJSA-N 2 1 194.253 0.971 10 0 ACAEMP Cc1ccc(NCCOCC[NH3+])[nH+]c1 82592212 572056787 /nfs/dbraw/zinc/05/67/87/572056787.db2.gz ZFJNHMDXEGLJJA-UHFFFAOYSA-N 2 1 195.266 0.777 10 0 ACAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CC[C@@H](CCO)C1 229181418 572056879 /nfs/dbraw/zinc/05/68/79/572056879.db2.gz HWCBTXRWJUCKNH-IUCAKERBSA-N 2 1 199.298 0.405 10 0 ACAEMP C[C@@H](CC[NH3+])[NH2+]Cc1cn(C)cn1 235088532 572056901 /nfs/dbraw/zinc/05/69/01/572056901.db2.gz XZYYKHHBHXQLGN-QMMMGPOBSA-N 2 1 182.271 0.247 10 0 ACAEMP C[NH2+]CCCC[N@@H+](C)CCN(C)C 82542626 572056903 /nfs/dbraw/zinc/05/69/03/572056903.db2.gz GSEDTRPZEZKDMV-UHFFFAOYSA-N 2 1 187.331 0.479 10 0 ACAEMP C[NH2+]CCCCN(C)CC[NH+](C)C 82542626 572056906 /nfs/dbraw/zinc/05/69/06/572056906.db2.gz GSEDTRPZEZKDMV-UHFFFAOYSA-N 2 1 187.331 0.479 10 0 ACAEMP C[C@H](O)CC[N@@H+](C)CCC[NH+](C)C 82543188 572056909 /nfs/dbraw/zinc/05/69/09/572056909.db2.gz UFXJITTUPXCGHM-JTQLQIEISA-N 2 1 188.315 0.641 10 0 ACAEMP C[N@@H+](CCC[NH3+])C1CCOCC1 36320514 572057364 /nfs/dbraw/zinc/05/73/64/572057364.db2.gz PZJQIBOVZOZZGO-UHFFFAOYSA-N 2 1 172.272 0.446 10 0 ACAEMP C[C@@H](CCO)[NH2+]C[C@@H]1CCCC[NH2+]1 235086673 572057016 /nfs/dbraw/zinc/05/70/16/572057016.db2.gz TUGAUWCWGBQBME-UWVGGRQHSA-N 2 1 186.299 0.489 10 0 ACAEMP CCn1cc[nH+]c1N(CC[NH3+])C1CC1 82592772 572057214 /nfs/dbraw/zinc/05/72/14/572057214.db2.gz ISUIMNIEHQDNAY-UHFFFAOYSA-N 2 1 194.282 0.831 10 0 ACAEMP COCC[N@H+]1CCC[C@@H]1CCC[NH3+] 82596767 572057553 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GFWZSYMGWRPTPT-NXEZZACHSA-N 2 1 186.299 0.347 10 0 ACAEMP CCC[N@@H+](CC)C[C@@H](O)C[NH2+]CC 37094859 572091340 /nfs/dbraw/zinc/09/13/40/572091340.db2.gz OGUXTFJIBIAOEF-JTQLQIEISA-N 2 1 188.315 0.689 10 0 ACAEMP CCC[N@@H+](CC)C[C@@H](O)C[NH2+]C 37094861 572091540 /nfs/dbraw/zinc/09/15/40/572091540.db2.gz NFIGCLBHTPLCIF-VIFPVBQESA-N 2 1 174.288 0.299 10 0 ACAEMP CCC[N@@H+](CC)C[C@@H](O)C[NH3+] 37094863 572091791 /nfs/dbraw/zinc/09/17/91/572091791.db2.gz QJAITBZJQJKXOH-QMMMGPOBSA-N 2 1 160.261 0.038 10 0 ACAEMP C[C@@H](CO)[NH2+]C[C@@H]1CCCCN1 235124636 572092095 /nfs/dbraw/zinc/09/20/95/572092095.db2.gz PATYGZBZHKYWFQ-IUCAKERBSA-N 2 1 172.272 0.099 10 0 ACAEMP C[C@](O)(CC[NH3+])Cc1cc[nH+]c(N)c1 84997232 572093313 /nfs/dbraw/zinc/09/33/13/572093313.db2.gz ROEVQQLHWUBIBS-JTQLQIEISA-N 2 1 195.266 0.306 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]CCCCn1ccnc1 235129019 572093345 /nfs/dbraw/zinc/09/33/45/572093345.db2.gz HSXZQGCVPMQVBP-JTQLQIEISA-N 2 1 196.298 0.600 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]CCC1CC[NH+](C)CC1 235128663 572093508 /nfs/dbraw/zinc/09/35/08/572093508.db2.gz ARCMWXXAAAMNJE-JTQLQIEISA-N 3 1 199.342 0.655 10 0 ACAEMP C[C@](O)(CC[NH3+])Cc1ccc[nH+]c1N 84996989 572094283 /nfs/dbraw/zinc/09/42/83/572094283.db2.gz OSYNQYKPOSUPIL-JTQLQIEISA-N 2 1 195.266 0.306 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]CCCC[NH+](C)C 235128962 572094552 /nfs/dbraw/zinc/09/45/52/572094552.db2.gz YBNSONSSAUCEBL-VIFPVBQESA-N 3 1 173.304 0.265 10 0 ACAEMP C[C@@H](CO)[NH2+]C[C@H]1CCCCN1 235125459 572094758 /nfs/dbraw/zinc/09/47/58/572094758.db2.gz PATYGZBZHKYWFQ-DTWKUNHWSA-N 2 1 172.272 0.099 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]CC1(C)CCOCC1 235126995 572094926 /nfs/dbraw/zinc/09/49/26/572094926.db2.gz AFDMZAFOFRCCQK-VIFPVBQESA-N 2 1 186.299 0.740 10 0 ACAEMP C[C@@](O)(CC[NH3+])Cc1ccc[nH+]c1N 84996987 572094764 /nfs/dbraw/zinc/09/47/64/572094764.db2.gz OSYNQYKPOSUPIL-SNVBAGLBSA-N 2 1 195.266 0.306 10 0 ACAEMP CC[N@H+]1CC[C@@]2(CC[C@@](C)(C[NH3+])O2)C1 686234205 572095349 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CC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH2+]C 37109940 572098051 /nfs/dbraw/zinc/09/80/51/572098051.db2.gz BPMUVUKUCIINNC-RKDXNWHRSA-N 2 1 174.288 0.297 10 0 ACAEMP C=COCCC[NH2+][C@@H](C)C[NH3+] 235129672 572098187 /nfs/dbraw/zinc/09/81/87/572098187.db2.gz RXFPJYPVTHPHOF-QMMMGPOBSA-N 2 1 158.245 0.473 10 0 ACAEMP C[C@@H](CO)[C@@H](C)[NH2+]C1(C[NH3+])CC1 235130367 572098582 /nfs/dbraw/zinc/09/85/82/572098582.db2.gz MKCMNPILAAAOCY-JGVFFNPUSA-N 2 1 172.272 0.084 10 0 ACAEMP C[NH2+]C[C@H]1CCCN(c2[nH]cc[nH+]2)C1 234391900 572099029 /nfs/dbraw/zinc/09/90/29/572099029.db2.gz JTFISHHMWOADNR-SECBINFHSA-N 2 1 194.282 0.846 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]CCCn1cccn1 235130368 572099063 /nfs/dbraw/zinc/09/90/63/572099063.db2.gz CSVFZMPAUAVUDK-VIFPVBQESA-N 2 1 182.271 0.210 10 0 ACAEMP CC(C)[N@H+]1C[C@@H](CC[NH3+])N(C)C[C@H]1C 219811094 572100445 /nfs/dbraw/zinc/10/04/45/572100445.db2.gz WBMYOSWHGRJSKJ-GHMZBOCLSA-N 2 1 199.342 0.748 10 0 ACAEMP C[NH2+]C[C@@H](O)C[N@@H+](C)CC(C)C 37108339 572099400 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182.214 0.205 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]CCOCC1CC1 235131460 572100006 /nfs/dbraw/zinc/10/00/06/572100006.db2.gz VMCBZQWMAORHEL-QMMMGPOBSA-N 2 1 172.272 0.350 10 0 ACAEMP CC[NH2+]C[C@H](O)C[N@@H+](C)CC(C)C 37108337 572100053 /nfs/dbraw/zinc/10/00/53/572100053.db2.gz AHFUANHZBBUOFK-JTQLQIEISA-N 2 1 188.315 0.545 10 0 ACAEMP CC[N@H+]1C[C@H](CC[NH3+])N(C)CC1(C)C 219811266 572100073 /nfs/dbraw/zinc/10/00/73/572100073.db2.gz PEKDCENRWWVICM-JTQLQIEISA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]CCc1ccccn1 235132590 572100135 /nfs/dbraw/zinc/10/01/35/572100135.db2.gz KPTHKTNBGVMITO-VIFPVBQESA-N 2 1 179.267 0.561 10 0 ACAEMP C[NH2+]C[C@H](C)Cc1[nH+]ccn1C 82763225 572100252 /nfs/dbraw/zinc/10/02/52/572100252.db2.gz VHDBIRXHDKUCEY-MRVPVSSYSA-N 2 1 167.256 0.818 10 0 ACAEMP CC[C@@H](C)[N@@H+]1CCN(C)[C@H](C[NH2+]C)C1 219807231 572100389 /nfs/dbraw/zinc/10/03/89/572100389.db2.gz LYPCOSAGKLTSDR-GHMZBOCLSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[C@@H](C)[N@H+]1CCN(C)[C@H](C[NH2+]C)C1 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82888404 572139180 /nfs/dbraw/zinc/13/91/80/572139180.db2.gz SJLVWHJPKNWZNH-UWVGGRQHSA-N 2 1 188.315 0.674 10 0 ACAEMP C[C@@H](CN1CC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 300366091 572139248 /nfs/dbraw/zinc/13/92/48/572139248.db2.gz BGBAUPFNUGQTMV-UWVGGRQHSA-N 2 1 197.326 0.502 10 0 ACAEMP CC[N@@H+](CC[C@@H](CO)[NH2+]C)C1CC1 82888387 572139261 /nfs/dbraw/zinc/13/92/61/572139261.db2.gz NDLIHEWJOMSKBG-VIFPVBQESA-N 2 1 186.299 0.441 10 0 ACAEMP C[C@H]1CC[N@@H+](CC[C@H]([NH3+])CO)C1 82887264 572139309 /nfs/dbraw/zinc/13/93/09/572139309.db2.gz BFNHJTOBJJMYTE-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@@H](C)[N@@H+](C)CCN[C@H](C)C[NH3+] 300368886 572139318 /nfs/dbraw/zinc/13/93/18/572139318.db2.gz VDANXCWZZAHEAD-NXEZZACHSA-N 2 1 187.331 0.654 10 0 ACAEMP CC[NH2+][C@@H](CO)CCn1cc[nH+]c1C 82897643 572139388 /nfs/dbraw/zinc/13/93/88/572139388.db2.gz VMJVPZZFFHTRAP-SNVBAGLBSA-N 2 1 197.282 0.552 10 0 ACAEMP C[NH2+][C@@H](CO)CCn1cc[nH+]c1C 82897641 572139424 /nfs/dbraw/zinc/13/94/24/572139424.db2.gz 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FHKFENBRNONTKY-KXUCPTDWSA-N 2 1 186.299 0.609 10 0 ACAEMP Cc1[nH+]ccn1CC[C@](C)([NH3+])CO 82897690 572142718 /nfs/dbraw/zinc/14/27/18/572142718.db2.gz TWGLXYHIZJSLIJ-VIFPVBQESA-N 2 1 183.255 0.291 10 0 ACAEMP CCc1[nH+]ccn1CC[C@H]([NH3+])CO 82898365 572142737 /nfs/dbraw/zinc/14/27/37/572142737.db2.gz CLOCUNAIEZMSHS-QMMMGPOBSA-N 2 1 183.255 0.155 10 0 ACAEMP CCc1[nH+]ccn1C[C@@](C)([NH3+])CO 82898362 572142868 /nfs/dbraw/zinc/14/28/68/572142868.db2.gz XFDGVCCEHGNCML-SECBINFHSA-N 2 1 183.255 0.155 10 0 ACAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)[NH2+]C 300374522 572142905 /nfs/dbraw/zinc/14/29/05/572142905.db2.gz BTQSIMXSYFNONJ-HLTSFMKQSA-N 2 1 156.273 0.982 10 0 ACAEMP Cc1[nH+]ccn1CC[C@@](C)([NH3+])CO 82897691 572142948 /nfs/dbraw/zinc/14/29/48/572142948.db2.gz TWGLXYHIZJSLIJ-SECBINFHSA-N 2 1 183.255 0.291 10 0 ACAEMP Cc1[nH+]ccn1C[C@@H](CO)[NH2+]C1CC1 82897685 572142980 /nfs/dbraw/zinc/14/29/80/572142980.db2.gz CDTJSMLXBYVPPC-JTQLQIEISA-N 2 1 195.266 0.304 10 0 ACAEMP CCc1[nH+]ccn1CC[C@@H](CO)[NH2+]C 82898339 572143374 /nfs/dbraw/zinc/14/33/74/572143374.db2.gz COUQQSDFKUCANC-VIFPVBQESA-N 2 1 197.282 0.416 10 0 ACAEMP CC[C@@H]1OCC[C@H]1C[N@H+](C)CC[NH3+] 300373846 572143101 /nfs/dbraw/zinc/14/31/01/572143101.db2.gz HJFBAUOOLSKZRX-UWVGGRQHSA-N 2 1 186.299 0.692 10 0 ACAEMP CC[C@@H]1OCC[C@H]1C[N@@H+](C)CC[NH3+] 300373846 572143104 /nfs/dbraw/zinc/14/31/04/572143104.db2.gz HJFBAUOOLSKZRX-UWVGGRQHSA-N 2 1 186.299 0.692 10 0 ACAEMP CO[C@@H](C[NH3+])C[N@@H+]1CCCC[C@H]1C 300374459 572143117 /nfs/dbraw/zinc/14/31/17/572143117.db2.gz ARMFHJCMFZDLRJ-ZJUUUORDSA-N 2 1 186.299 0.835 10 0 ACAEMP CO[C@@H](C[NH3+])C[N@H+]1CCCC[C@H]1C 300374459 572143119 /nfs/dbraw/zinc/14/31/19/572143119.db2.gz ARMFHJCMFZDLRJ-ZJUUUORDSA-N 2 1 186.299 0.835 10 0 ACAEMP CO[C@H](C[NH3+])C[NH+]1C[C@@H](C)[C@H](C)C1 300375518 572143144 /nfs/dbraw/zinc/14/31/44/572143144.db2.gz FCLNCVAGCGWLHW-OPRDCNLKSA-N 2 1 186.299 0.548 10 0 ACAEMP CC[NH2+][C@](C)(CO)Cn1cc[nH+]c1C 82897698 572143205 /nfs/dbraw/zinc/14/32/05/572143205.db2.gz CVXBBOSVVWWUCO-JTQLQIEISA-N 2 1 197.282 0.552 10 0 ACAEMP CCc1[nH+]ccn1C[C@@](C)(CO)[NH2+]C 82898337 572143283 /nfs/dbraw/zinc/14/32/83/572143283.db2.gz CUDDZGGXXDUTPD-JTQLQIEISA-N 2 1 197.282 0.416 10 0 ACAEMP CC[NH2+][C@@](C)(CO)Cn1cc[nH+]c1C 82897699 572143320 /nfs/dbraw/zinc/14/33/20/572143320.db2.gz CVXBBOSVVWWUCO-SNVBAGLBSA-N 2 1 197.282 0.552 10 0 ACAEMP CO[C@H](C[NH3+])C[N@@H+]1C[C@H](C)C[C@@H]1C 300374832 572143370 /nfs/dbraw/zinc/14/33/70/572143370.db2.gz BJSCSRFLKCRVEP-KXUCPTDWSA-N 2 1 186.299 0.690 10 0 ACAEMP CO[C@H](C[NH3+])C[N@H+]1C[C@H](C)C[C@@H]1C 300374832 572143372 /nfs/dbraw/zinc/14/33/72/572143372.db2.gz BJSCSRFLKCRVEP-KXUCPTDWSA-N 2 1 186.299 0.690 10 0 ACAEMP CCc1[nH+]ccn1CC[C@H](CO)[NH2+]C 82898340 572143464 /nfs/dbraw/zinc/14/34/64/572143464.db2.gz COUQQSDFKUCANC-SECBINFHSA-N 2 1 197.282 0.416 10 0 ACAEMP CC[C@@H]1C[C@H]1[NH2+]C[C@H](C)[NH2+]C 300374521 572143496 /nfs/dbraw/zinc/14/34/96/572143496.db2.gz BTQSIMXSYFNONJ-DJLDLDEBSA-N 2 1 156.273 0.982 10 0 ACAEMP CO[C@H](C[NH3+])C[N@@H+]1C[C@H](C)C[C@H]1C 300374833 572143539 /nfs/dbraw/zinc/14/35/39/572143539.db2.gz BJSCSRFLKCRVEP-OPRDCNLKSA-N 2 1 186.299 0.690 10 0 ACAEMP CO[C@H](C[NH3+])C[N@H+]1C[C@H](C)C[C@H]1C 300374833 572143543 /nfs/dbraw/zinc/14/35/43/572143543.db2.gz BJSCSRFLKCRVEP-OPRDCNLKSA-N 2 1 186.299 0.690 10 0 ACAEMP CCc1[nH+]ccn1C[C@](C)([NH3+])CO 82898361 572143553 /nfs/dbraw/zinc/14/35/53/572143553.db2.gz XFDGVCCEHGNCML-VIFPVBQESA-N 2 1 183.255 0.155 10 0 ACAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)[NH2+]C 300374523 572143562 /nfs/dbraw/zinc/14/35/62/572143562.db2.gz BTQSIMXSYFNONJ-YIZRAAEISA-N 2 1 156.273 0.982 10 0 ACAEMP CCc1[nH+]ccn1C[C@H](CO)[NH2+]C 82898334 572143600 /nfs/dbraw/zinc/14/36/00/572143600.db2.gz WQEACNNNUBEEJU-MRVPVSSYSA-N 2 1 183.255 0.026 10 0 ACAEMP CO[C@H](C[NH3+])C[N@@H+]1CCCC[C@H]1C 300374458 572143903 /nfs/dbraw/zinc/14/39/03/572143903.db2.gz ARMFHJCMFZDLRJ-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP 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CMLIBKVQQWVQGW-VHSXEESVSA-N 2 1 188.315 0.672 10 0 ACAEMP CC[C@@H](C)C[N@@H+](C)C[C@](C)(O)C[NH3+] 82905642 572147100 /nfs/dbraw/zinc/14/71/00/572147100.db2.gz ZCSSLLZSLRHVSB-NXEZZACHSA-N 2 1 188.315 0.674 10 0 ACAEMP CO[C@H]1CCC[C@H]1[N@@H+]1CCC[C@H]([NH3+])C1 70585255 572145255 /nfs/dbraw/zinc/14/52/55/572145255.db2.gz GVQXAEQGIWVPNP-AXFHLTTASA-N 2 1 198.310 0.977 10 0 ACAEMP CO[C@H]1CCC[C@H]1[N@H+]1CCC[C@H]([NH3+])C1 70585255 572145259 /nfs/dbraw/zinc/14/52/59/572145259.db2.gz GVQXAEQGIWVPNP-AXFHLTTASA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+](CC[C@@H](O)C[NH3+])CC1CC1 82905899 572147116 /nfs/dbraw/zinc/14/71/16/572147116.db2.gz RTRCTIRXHJBDDC-SECBINFHSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C 300381589 572145676 /nfs/dbraw/zinc/14/56/76/572145676.db2.gz JNRWJWNFVQZFKA-UTLUCORTSA-N 2 1 186.299 0.297 10 0 ACAEMP CC[NH+]1CCN(CCCC[NH2+]C)CC1 37477914 572145688 /nfs/dbraw/zinc/14/56/88/572145688.db2.gz KIFHLDZMGPYRRX-UHFFFAOYSA-N 2 1 199.342 0.624 10 0 ACAEMP CC(C)[NH2+]CCN1CCC[N@@H+](C)CC1 37477274 572145716 /nfs/dbraw/zinc/14/57/16/572145716.db2.gz IZVLWCYUBIDRAX-UHFFFAOYSA-N 2 1 199.342 0.622 10 0 ACAEMP CO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C1(C)C 300382055 572145896 /nfs/dbraw/zinc/14/58/96/572145896.db2.gz GCBCKTVZHAZURS-HRDYMLBCSA-N 2 1 186.299 0.737 10 0 ACAEMP C[NH2+]CCCC[N@H+]1CCO[C@@H](C)C1 37477882 572146567 /nfs/dbraw/zinc/14/65/67/572146567.db2.gz QGMOMTCCNRKZMY-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP CCC[N@@H+](CC)CC[C@](C)(O)C[NH3+] 82905608 572146593 /nfs/dbraw/zinc/14/65/93/572146593.db2.gz IICRYBIWJOBBCD-JTQLQIEISA-N 2 1 188.315 0.818 10 0 ACAEMP C[N@@H+](CC(C)(C)C)C[C@](C)(O)C[NH3+] 82906182 572146608 /nfs/dbraw/zinc/14/66/08/572146608.db2.gz AYEQDLALOKTVAE-SNVBAGLBSA-N 2 1 188.315 0.674 10 0 ACAEMP C[NH2+]CCN(C)c1ccc(N)[nH+]c1 69802987 572146609 /nfs/dbraw/zinc/14/66/09/572146609.db2.gz RKVGMYXAYUMPEX-UHFFFAOYSA-N 2 1 180.255 0.319 10 0 ACAEMP C[N@@H+](CC[C@@](C)(O)C[NH3+])CC1CC1 82905896 572147915 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YTCGCAHKSHJWKU-PSASIEDQSA-N 2 1 186.299 0.690 10 0 ACAEMP CCCCC[N@@H+](C)C[C@@](C)(O)C[NH3+] 82905629 572146829 /nfs/dbraw/zinc/14/68/29/572146829.db2.gz OMOSNXACKVRZHM-JTQLQIEISA-N 2 1 188.315 0.818 10 0 ACAEMP C[NH2+]CCCC[N@H+]1CCCN(C)CC1 37477922 572146836 /nfs/dbraw/zinc/14/68/36/572146836.db2.gz KXASIQXLBZLXOF-UHFFFAOYSA-N 2 1 199.342 0.624 10 0 ACAEMP CCC[N@@H+](CC[C@@H](O)C[NH3+])C(C)C 82905591 572146861 /nfs/dbraw/zinc/14/68/61/572146861.db2.gz QONIAOCAVOJQCB-SNVBAGLBSA-N 2 1 188.315 0.817 10 0 ACAEMP CC(C)[C@@H](C)[N@@H+](C)C[C@](C)(O)C[NH3+] 82905734 572148531 /nfs/dbraw/zinc/14/85/31/572148531.db2.gz CMLIBKVQQWVQGW-NXEZZACHSA-N 2 1 188.315 0.672 10 0 ACAEMP CCC[N@@H+](C[C@](C)(O)C[NH3+])C1CC1 82905624 572146958 /nfs/dbraw/zinc/14/69/58/572146958.db2.gz ASWYKSCRYSKEIM-SNVBAGLBSA-N 2 1 186.299 0.571 10 0 ACAEMP CCC[N@@H+](CC)CC[C@@H](O)C[NH3+] 82905619 572146994 /nfs/dbraw/zinc/14/69/94/572146994.db2.gz MKAXNWXKPVENCA-SECBINFHSA-N 2 1 174.288 0.428 10 0 ACAEMP 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572147266 /nfs/dbraw/zinc/14/72/66/572147266.db2.gz CNFBHBCMHCGATH-UWVGGRQHSA-N 2 1 188.315 0.817 10 0 ACAEMP CCCn1cc[nH+]c1N(C)CC[NH2+]C 69802924 572147354 /nfs/dbraw/zinc/14/73/54/572147354.db2.gz FBGKMULUNPKUAN-UHFFFAOYSA-N 2 1 196.298 0.949 10 0 ACAEMP CC[N@@H+](CC[C@@](C)(O)C[NH3+])C1CC1 82905595 572147382 /nfs/dbraw/zinc/14/73/82/572147382.db2.gz DLHQKWCBFDSAAR-SNVBAGLBSA-N 2 1 186.299 0.571 10 0 ACAEMP CCC(CC)[N@@H+](C)C[C@](C)(O)C[NH3+] 82905720 572147417 /nfs/dbraw/zinc/14/74/17/572147417.db2.gz ORYWUIFOPHONAD-SNVBAGLBSA-N 2 1 188.315 0.817 10 0 ACAEMP CC[N@@H+](CC[C@](C)(O)C[NH3+])C1CC1 82905594 572147460 /nfs/dbraw/zinc/14/74/60/572147460.db2.gz DLHQKWCBFDSAAR-JTQLQIEISA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@H]1CC[N@@H+](C[C@@](O)(C[NH3+])C2CC2)C1 82905925 572147539 /nfs/dbraw/zinc/14/75/39/572147539.db2.gz MAUFMRYRTKJBET-ONGXEEELSA-N 2 1 198.310 0.428 10 0 ACAEMP C[NH2+]CCN(C)Cc1cnc[nH]1 69802088 572147568 /nfs/dbraw/zinc/14/75/68/572147568.db2.gz XPKXSWYEWMMVJG-UHFFFAOYSA-N 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/nfs/dbraw/zinc/14/83/42/572148342.db2.gz CKWOGGAQNTVKNM-JTQLQIEISA-N 2 1 186.299 0.571 10 0 ACAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C[C@@H](OC)C[NH2+]1 300383251 572148354 /nfs/dbraw/zinc/14/83/54/572148354.db2.gz LANNNYANXIKTBD-YTWAJWBKSA-N 2 1 198.310 0.751 10 0 ACAEMP CCCCC[N@@H+](C)CC[C@@H](O)C[NH3+] 82905637 572148379 /nfs/dbraw/zinc/14/83/79/572148379.db2.gz JEJRNLXQVQSBDZ-SNVBAGLBSA-N 2 1 188.315 0.818 10 0 ACAEMP CC[N@@H+](CC[C@@H](O)C[NH3+])C1CC1 82905605 572148402 /nfs/dbraw/zinc/14/84/02/572148402.db2.gz KYDRPYXLGAUXMM-SECBINFHSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@H](C1CC1)[N@@H+](C)CC[C@H](O)C[NH3+] 82905764 572148410 /nfs/dbraw/zinc/14/84/10/572148410.db2.gz QIXLVEMFGMKPTK-WPRPVWTQSA-N 2 1 186.299 0.426 10 0 ACAEMP CCC[N@@H+](CC)C[C@](C)(O)C[NH3+] 82905610 572148425 /nfs/dbraw/zinc/14/84/25/572148425.db2.gz ZZGFNCWRPYKECB-SECBINFHSA-N 2 1 174.288 0.428 10 0 ACAEMP CCC[N@@H+](CC[C@H](O)C[NH3+])C(C)C 82905590 572148457 /nfs/dbraw/zinc/14/84/57/572148457.db2.gz 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572150586 /nfs/dbraw/zinc/15/05/86/572150586.db2.gz OLLMJRZZMOJCBH-MRVPVSSYSA-N 2 1 160.261 0.038 10 0 ACAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC[C@H](O)C[NH3+] 82906586 572150597 /nfs/dbraw/zinc/15/05/97/572150597.db2.gz QLPKESMCLKCTLG-BBBLOLIVSA-N 2 1 186.299 0.284 10 0 ACAEMP C[N@@H+](C[C@](O)(C[NH3+])C1CC1)C1CC1 82915595 572150610 /nfs/dbraw/zinc/15/06/10/572150610.db2.gz DWBBJYQFQVGTAK-SNVBAGLBSA-N 2 1 184.283 0.180 10 0 ACAEMP CC[N@@H+](CC(C)C)C[C@@](C)(O)C[NH3+] 82915538 572150621 /nfs/dbraw/zinc/15/06/21/572150621.db2.gz LBGJNDNJSCXRFX-JTQLQIEISA-N 2 1 188.315 0.674 10 0 ACAEMP CCCc1[nH+]ccn1CC[C@@H](O)C[NH3+] 82915655 572150629 /nfs/dbraw/zinc/15/06/29/572150629.db2.gz IAVNGYXEWUXQCI-SECBINFHSA-N 2 1 197.282 0.545 10 0 ACAEMP Cc1[nH+]cn(CC[C@](C)(O)C[NH3+])c1C 82915612 572150637 /nfs/dbraw/zinc/15/06/37/572150637.db2.gz UMUOOEUXEVYLGT-JTQLQIEISA-N 2 1 197.282 0.600 10 0 ACAEMP CC[N@@H+](C)C[C@](O)(C[NH3+])C1CC1 82915577 572150645 /nfs/dbraw/zinc/15/06/45/572150645.db2.gz 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/nfs/dbraw/zinc/15/08/38/572150838.db2.gz VXLGLTMSMHDAQT-WPRPVWTQSA-N 2 1 186.299 0.569 10 0 ACAEMP CC[N@@H+](C)CC[C@@](C)(O)C[NH3+] 82915563 572150886 /nfs/dbraw/zinc/15/08/86/572150886.db2.gz DLTCMVKEPWMMKT-MRVPVSSYSA-N 2 1 160.261 0.038 10 0 ACAEMP C[N@@H+](CC1CC1)C[C@@](C)(O)C[NH3+] 82906870 572150907 /nfs/dbraw/zinc/15/09/07/572150907.db2.gz RUVAJXUGTNIUJB-VIFPVBQESA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H]1CCCC[N@H+]1CC[C@H](O)C[NH3+] 82915306 572150925 /nfs/dbraw/zinc/15/09/25/572150925.db2.gz AVOIMKNICWSHAQ-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP CC(C)[N@@H+](C)CC[C@@H](O)C[NH3+] 82915409 572150943 /nfs/dbraw/zinc/15/09/43/572150943.db2.gz FNVFOALHEOTRLT-MRVPVSSYSA-N 2 1 160.261 0.036 10 0 ACAEMP C[C@@](O)(C[NH3+])C[N@@H+](CC1CC1)C1CC1 82906354 572150949 /nfs/dbraw/zinc/15/09/49/572150949.db2.gz QECDOSFIUWATLW-LLVKDONJSA-N 2 1 198.310 0.571 10 0 ACAEMP CC[N@@H+](CC[C@H](O)C[NH3+])CC1CC1 82906604 572150963 /nfs/dbraw/zinc/15/09/63/572150963.db2.gz ZECUJSCPXVQGSI-JTQLQIEISA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@](C)(O)C[NH3+] 82906572 572151010 /nfs/dbraw/zinc/15/10/10/572151010.db2.gz GFCLDFQBEXSNRV-KXUCPTDWSA-N 2 1 186.299 0.284 10 0 ACAEMP CC[N@@H+](C)[C@H](C)C[C@](C)(O)C[NH3+] 82915567 572151060 /nfs/dbraw/zinc/15/10/60/572151060.db2.gz NUHJINTZBOOWEP-BDAKNGLRSA-N 2 1 174.288 0.426 10 0 ACAEMP C[N@@H+](C[C@@](O)(C[NH3+])C1CC1)C1CC1 82915594 572151068 /nfs/dbraw/zinc/15/10/68/572151068.db2.gz DWBBJYQFQVGTAK-JTQLQIEISA-N 2 1 184.283 0.180 10 0 ACAEMP CC(C)[N@@H+](C)CC[C@H](O)C[NH3+] 82915408 572151086 /nfs/dbraw/zinc/15/10/86/572151086.db2.gz FNVFOALHEOTRLT-QMMMGPOBSA-N 2 1 160.261 0.036 10 0 ACAEMP CCC[N@@H+](C)C[C@@](O)(C[NH3+])C1CC1 82915560 572151093 /nfs/dbraw/zinc/15/10/93/572151093.db2.gz GSBUUBSFLOGGHW-JTQLQIEISA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@@H+](CC[C@@H](O)C[NH3+])CC1CCC1 82906401 572151110 /nfs/dbraw/zinc/15/11/10/572151110.db2.gz DESDXZOGSLNUCF-SNVBAGLBSA-N 2 1 186.299 0.428 10 0 ACAEMP 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/nfs/dbraw/zinc/15/12/38/572151238.db2.gz UZAVTHWMDKZYPS-JTQLQIEISA-N 2 1 186.299 0.571 10 0 ACAEMP CCCC[N@@H+](C)C[C@@](C)(O)C[NH3+] 82915141 572151269 /nfs/dbraw/zinc/15/12/69/572151269.db2.gz BVUIAXNECJDIKN-VIFPVBQESA-N 2 1 174.288 0.428 10 0 ACAEMP C[C@@H]1CCC[N@H+]1CC[C@](C)(O)C[NH3+] 82915134 572151308 /nfs/dbraw/zinc/15/13/08/572151308.db2.gz NGLVRFQBIXIMNN-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP CCC[N@@H+](C)CC[C@@](C)(O)C[NH3+] 82915549 572151322 /nfs/dbraw/zinc/15/13/22/572151322.db2.gz LTMWWRUIMXYISP-SECBINFHSA-N 2 1 174.288 0.428 10 0 ACAEMP CCC(C)(C)[N@@H+](C)CC[C@H](O)C[NH3+] 82906562 572151340 /nfs/dbraw/zinc/15/13/40/572151340.db2.gz MEYIAQNHYLZIFA-VIFPVBQESA-N 2 1 188.315 0.817 10 0 ACAEMP CCCc1[nH+]ccn1C[C@](C)(O)C[NH3+] 82915652 572151354 /nfs/dbraw/zinc/15/13/54/572151354.db2.gz TWOUVALAWHSRBC-SNVBAGLBSA-N 2 1 197.282 0.545 10 0 ACAEMP CC[N@@H+](CC1CC1)C[C@](C)(O)C[NH3+] 82906596 572151370 /nfs/dbraw/zinc/15/13/70/572151370.db2.gz GVFDHIBHRVZBDT-SNVBAGLBSA-N 2 1 186.299 0.428 10 0 ACAEMP CCCCC[N@@H+](C)C[C@](C)(O)C[NH3+] 82906869 572151380 /nfs/dbraw/zinc/15/13/80/572151380.db2.gz OMOSNXACKVRZHM-SNVBAGLBSA-N 2 1 188.315 0.818 10 0 ACAEMP Cc1[nH+]ccn1[C@H](C)C[C@@](C)(O)C[NH3+] 82915707 572151397 /nfs/dbraw/zinc/15/13/97/572151397.db2.gz HCFIDMMQHBZWRD-PSASIEDQSA-N 2 1 197.282 0.852 10 0 ACAEMP CCC[N@@H+](C)CC[C@](C)(O)C[NH3+] 82915548 572151402 /nfs/dbraw/zinc/15/14/02/572151402.db2.gz LTMWWRUIMXYISP-VIFPVBQESA-N 2 1 174.288 0.428 10 0 ACAEMP CC(C)C[N@@H+](C)CC[C@](C)(O)C[NH3+] 82915507 572151414 /nfs/dbraw/zinc/15/14/14/572151414.db2.gz NPBNYGZNPLVOCR-JTQLQIEISA-N 2 1 188.315 0.674 10 0 ACAEMP CCc1[nH+]ccn1CC[C@](C)(O)C[NH3+] 82915846 572151424 /nfs/dbraw/zinc/15/14/24/572151424.db2.gz SSEXVGPMTSMCJB-JTQLQIEISA-N 2 1 197.282 0.545 10 0 ACAEMP Cc1[nH+]ccn1C[C@](O)(C[NH3+])C1CC1 82915713 572151445 /nfs/dbraw/zinc/15/14/45/572151445.db2.gz NFDOSXOAHKNKBL-SNVBAGLBSA-N 2 1 195.266 0.291 10 0 ACAEMP [NH3+]C[C@@H](O)CC[N@@H+](CC1CC1)C1CC1 82906362 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C[C@@H]1[C@H](C[NH3+])CC[N@H+]1C1CC1 18564896 572163475 /nfs/dbraw/zinc/16/34/75/572163475.db2.gz AKPPXHNEFULGEF-SFYZADRCSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H](N)[C@@H](CO)[N@@H+](CC1CC1)C1CC1 82987527 572163548 /nfs/dbraw/zinc/16/35/48/572163548.db2.gz FNIYCVUBODDQPQ-GZMMTYOYSA-N 2 1 198.310 0.569 10 0 ACAEMP C[C@H]([NH3+])[C@@H](CO)N(CC1CC1)C1CC1 82987527 572163551 /nfs/dbraw/zinc/16/35/51/572163551.db2.gz FNIYCVUBODDQPQ-GZMMTYOYSA-N 2 1 198.310 0.569 10 0 ACAEMP C[C@H]([NH3+])[C@@H](CO)[N@H+](CC1CC1)C1CC1 82987527 572163554 /nfs/dbraw/zinc/16/35/54/572163554.db2.gz FNIYCVUBODDQPQ-GZMMTYOYSA-N 2 1 198.310 0.569 10 0 ACAEMP C[C@H]([NH3+])[C@@H](CO)[N@@H+](CC1CC1)C1CC1 82987527 572163556 /nfs/dbraw/zinc/16/35/56/572163556.db2.gz FNIYCVUBODDQPQ-GZMMTYOYSA-N 2 1 198.310 0.569 10 0 ACAEMP CCCc1[nH+]ccn1CC(N)=[NH2+] 69964223 572163563 /nfs/dbraw/zinc/16/35/63/572163563.db2.gz PKENHPKJYIVOOY-UHFFFAOYSA-N 2 1 166.228 0.772 10 0 ACAEMP CCc1[nH+]ccn1[C@H](CO)[C@@H](C)[NH3+] 82987594 572163578 /nfs/dbraw/zinc/16/35/78/572163578.db2.gz PMTGNXNCBDMWEH-HTQZYQBOSA-N 2 1 183.255 0.326 10 0 ACAEMP CCC[N@@H+](C(C)C)[C@H](CO)[C@@H](C)[NH3+] 82987069 572163730 /nfs/dbraw/zinc/16/37/30/572163730.db2.gz KBXQJDBOKQHSEQ-NXEZZACHSA-N 2 1 188.315 0.815 10 0 ACAEMP C[C@@H](N)[C@@H](CO)[N@@H+](CC1CC1)C1CC1 82987528 572163584 /nfs/dbraw/zinc/16/35/84/572163584.db2.gz FNIYCVUBODDQPQ-LDYMZIIASA-N 2 1 198.310 0.569 10 0 ACAEMP C[C@@H]([NH3+])[C@@H](CO)N(CC1CC1)C1CC1 82987528 572163587 /nfs/dbraw/zinc/16/35/87/572163587.db2.gz FNIYCVUBODDQPQ-LDYMZIIASA-N 2 1 198.310 0.569 10 0 ACAEMP C[C@@H]([NH3+])[C@@H](CO)[N@H+](CC1CC1)C1CC1 82987528 572163590 /nfs/dbraw/zinc/16/35/90/572163590.db2.gz FNIYCVUBODDQPQ-LDYMZIIASA-N 2 1 198.310 0.569 10 0 ACAEMP C[C@@H]([NH3+])[C@@H](CO)[N@@H+](CC1CC1)C1CC1 82987528 572163591 /nfs/dbraw/zinc/16/35/91/572163591.db2.gz FNIYCVUBODDQPQ-LDYMZIIASA-N 2 1 198.310 0.569 10 0 ACAEMP CCCc1[nH+]ccn1C[C@H]([NH3+])CCO 82988684 572163650 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/nfs/dbraw/zinc/16/36/97/572163697.db2.gz MIAOOGFMMOOOKU-BDAKNGLRSA-N 2 1 188.315 0.672 10 0 ACAEMP C[C@@H]([NH3+])[C@H](CO)[N@@H+](C)CC(C)(C)C 82987341 572163699 /nfs/dbraw/zinc/16/36/99/572163699.db2.gz MIAOOGFMMOOOKU-BDAKNGLRSA-N 2 1 188.315 0.672 10 0 ACAEMP CCC[N@H+](C(C)C)[C@H](CO)[C@@H](C)[NH3+] 82987069 572163726 /nfs/dbraw/zinc/16/37/26/572163726.db2.gz KBXQJDBOKQHSEQ-NXEZZACHSA-N 2 1 188.315 0.815 10 0 ACAEMP CC1(C)CCC[N@@H+]1C[C@@H]([NH3+])CCO 82988599 572163777 /nfs/dbraw/zinc/16/37/77/572163777.db2.gz IVPWZVHPJKEVBP-VIFPVBQESA-N 2 1 186.299 0.571 10 0 ACAEMP CC1(C)CCC[N@H+]1C[C@@H]([NH3+])CCO 82988599 572163780 /nfs/dbraw/zinc/16/37/80/572163780.db2.gz IVPWZVHPJKEVBP-VIFPVBQESA-N 2 1 186.299 0.571 10 0 ACAEMP CCCc1[nH+]ccn1[C@H](CO)[C@@H](C)[NH3+] 82987614 572163896 /nfs/dbraw/zinc/16/38/96/572163896.db2.gz GIFMBSOIADHSFA-RKDXNWHRSA-N 2 1 197.282 0.716 10 0 ACAEMP C[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CCO 82988405 572163933 /nfs/dbraw/zinc/16/39/33/572163933.db2.gz 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C[C@H]1[C@@H](C[NH3+])CC[N@H+]1C1CC1 18564895 572164021 /nfs/dbraw/zinc/16/40/21/572164021.db2.gz AKPPXHNEFULGEF-JGVFFNPUSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1[C@@H](C[NH3+])CC[N@H+]1C1CC1 18564894 572164335 /nfs/dbraw/zinc/16/43/35/572164335.db2.gz AKPPXHNEFULGEF-HTQZYQBOSA-N 2 1 154.257 0.818 10 0 ACAEMP CC[N@@H+](CC1CC1)[C@H](CO)[C@@H](C)N 82987504 572164346 /nfs/dbraw/zinc/16/43/46/572164346.db2.gz ZMGQYSNDMRITSJ-PSASIEDQSA-N 2 1 186.299 0.426 10 0 ACAEMP CC[N@@H+](CC1CC1)[C@H](CO)[C@@H](C)[NH3+] 82987504 572164354 /nfs/dbraw/zinc/16/43/54/572164354.db2.gz ZMGQYSNDMRITSJ-PSASIEDQSA-N 2 1 186.299 0.426 10 0 ACAEMP CC(C)C[N@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987074 572164778 /nfs/dbraw/zinc/16/47/78/572164778.db2.gz WENWIUVQXNOXEE-BDAKNGLRSA-N 2 1 174.288 0.282 10 0 ACAEMP CCC[N@H+](C(C)C)[C@@H](CO)[C@@H](C)[NH3+] 82987068 572164387 /nfs/dbraw/zinc/16/43/87/572164387.db2.gz KBXQJDBOKQHSEQ-ZJUUUORDSA-N 2 1 188.315 0.815 10 0 ACAEMP CCC[N@@H+](C(C)C)[C@@H](CO)[C@@H](C)[NH3+] 82987068 572164391 /nfs/dbraw/zinc/16/43/91/572164391.db2.gz KBXQJDBOKQHSEQ-ZJUUUORDSA-N 2 1 188.315 0.815 10 0 ACAEMP CC(C)C[N@@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987074 572164781 /nfs/dbraw/zinc/16/47/81/572164781.db2.gz WENWIUVQXNOXEE-BDAKNGLRSA-N 2 1 174.288 0.282 10 0 ACAEMP CCCc1[nH+]ccn1[C@H](CO)[C@H](C)[NH3+] 82987616 572164435 /nfs/dbraw/zinc/16/44/35/572164435.db2.gz GIFMBSOIADHSFA-DTWKUNHWSA-N 2 1 197.282 0.716 10 0 ACAEMP CCc1[nH+]ccn1[C@@H](CO)[C@H](C)[NH3+] 82987595 572164447 /nfs/dbraw/zinc/16/44/47/572164447.db2.gz PMTGNXNCBDMWEH-YUMQZZPRSA-N 2 1 183.255 0.326 10 0 ACAEMP CCC(CC)[N@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987120 572164460 /nfs/dbraw/zinc/16/44/60/572164460.db2.gz CFDTUWBFXMNQAG-SCZZXKLOSA-N 2 1 188.315 0.815 10 0 ACAEMP CCC(CC)[N@@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987120 572164465 /nfs/dbraw/zinc/16/44/65/572164465.db2.gz CFDTUWBFXMNQAG-SCZZXKLOSA-N 2 1 188.315 0.815 10 0 ACAEMP CC(C)[C@@H](C)[N@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987118 572164789 /nfs/dbraw/zinc/16/47/89/572164789.db2.gz SZVBUZRYAJMLNR-BBBLOLIVSA-N 2 1 188.315 0.671 10 0 ACAEMP C[C@H]([NH3+])[C@@H](CO)[N@H+](C)CC1CC1 82987170 572164486 /nfs/dbraw/zinc/16/44/86/572164486.db2.gz XSKVUKPEVYIJAJ-IONNQARKSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H]([NH3+])[C@@H](CO)[N@@H+](C)CC1CC1 82987170 572164491 /nfs/dbraw/zinc/16/44/91/572164491.db2.gz XSKVUKPEVYIJAJ-IONNQARKSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H](N)[C@H](CO)[N@@H+](C)CC(C)(C)C 82987340 572164535 /nfs/dbraw/zinc/16/45/35/572164535.db2.gz MIAOOGFMMOOOKU-IUCAKERBSA-N 2 1 188.315 0.672 10 0 ACAEMP C[C@H]([NH3+])[C@H](CO)N(C)CC(C)(C)C 82987340 572164539 /nfs/dbraw/zinc/16/45/39/572164539.db2.gz MIAOOGFMMOOOKU-IUCAKERBSA-N 2 1 188.315 0.672 10 0 ACAEMP C[C@H]([NH3+])[C@H](CO)[N@H+](C)CC(C)(C)C 82987340 572164543 /nfs/dbraw/zinc/16/45/43/572164543.db2.gz MIAOOGFMMOOOKU-IUCAKERBSA-N 2 1 188.315 0.672 10 0 ACAEMP CC(C)[C@@H](C)[N@@H+](C)[C@@H](CO)[C@@H](C)[NH3+] 82987118 572164792 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/nfs/dbraw/zinc/18/35/70/572183570.db2.gz IUHSIHZWYSRKPS-UHFFFAOYSA-N 2 1 188.662 0.085 10 0 ACAEMP COCCC[NH2+]C[C@H]1CC[N@@H+](C)C1 37753800 572185563 /nfs/dbraw/zinc/18/55/63/572185563.db2.gz CIPMAGYDCJMXNZ-SNVBAGLBSA-N 2 1 186.299 0.564 10 0 ACAEMP C[N@@H+](CCCO)CCC(C)(C)C[NH3+] 300966795 572185817 /nfs/dbraw/zinc/18/58/17/572185817.db2.gz IVSXAXWDYHDFFR-UHFFFAOYSA-N 2 1 188.315 0.676 10 0 ACAEMP COCCC[N@@H+]1CCC[C@H]1C[NH3+] 37753911 572186338 /nfs/dbraw/zinc/18/63/38/572186338.db2.gz MGXWIVLBDWYKBL-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP COCCC[N@H+]1CCC[C@H]1C[NH3+] 37753911 572186341 /nfs/dbraw/zinc/18/63/41/572186341.db2.gz MGXWIVLBDWYKBL-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP COCCC[N@@H+](CCC[NH3+])C1CC1 37753573 572187567 /nfs/dbraw/zinc/18/75/67/572187567.db2.gz NQLSYBYFVZXCHD-UHFFFAOYSA-N 2 1 186.299 0.836 10 0 ACAEMP [NH3+]CCCCC[N@H+]1CCC[NH2+]CC1 83119273 572187976 /nfs/dbraw/zinc/18/79/76/572187976.db2.gz HHLVCGSBQHHPKA-UHFFFAOYSA-N 3 1 185.315 0.411 10 0 ACAEMP [NH3+]CCCCCN1CCC[NH2+]CC1 83119273 572187977 /nfs/dbraw/zinc/18/79/77/572187977.db2.gz HHLVCGSBQHHPKA-UHFFFAOYSA-N 2 1 185.315 0.411 10 0 ACAEMP COCCC[NH2+]C[C@@H]1CC[N@@H+](C)C1 37753801 572187993 /nfs/dbraw/zinc/18/79/93/572187993.db2.gz CIPMAGYDCJMXNZ-JTQLQIEISA-N 2 1 186.299 0.564 10 0 ACAEMP C[C@@H]([NH3+])C[NH2+]CCOCC1CC1 235177392 572188010 /nfs/dbraw/zinc/18/80/10/572188010.db2.gz DCWYQJGOMBUDIG-MRVPVSSYSA-N 2 1 172.272 0.350 10 0 ACAEMP CC(C)[N@@H+](C)CCC(N)=[NH2+] 19507441 572188018 /nfs/dbraw/zinc/18/80/18/572188018.db2.gz OHTIXHXNRSHNGI-UHFFFAOYSA-N 2 1 143.234 0.653 10 0 ACAEMP CC[N@@H+](CCC[NH3+])CCCOC 37753570 572188141 /nfs/dbraw/zinc/18/81/41/572188141.db2.gz LFSGIQHDZNKLMP-UHFFFAOYSA-N 2 1 174.288 0.694 10 0 ACAEMP C[NH2+]C[C@H]1CCCCN1c1[nH]cc[nH+]1 234401945 572188971 /nfs/dbraw/zinc/18/89/71/572188971.db2.gz NRPZMFISDIUQMP-SECBINFHSA-N 2 1 194.282 0.988 10 0 ACAEMP CCCN1CCC[N@@H+](C)C[C@H]1C[NH3+] 249864424 572190598 /nfs/dbraw/zinc/19/05/98/572190598.db2.gz BEHNBYZVLWDQLL-SNVBAGLBSA-N 2 1 185.315 0.361 10 0 ACAEMP CC[C@@](C[NH3+])([NH2+]CCOC)C1CC1 83057380 572190629 /nfs/dbraw/zinc/19/06/29/572190629.db2.gz ADTRIJRWTLJINM-JTQLQIEISA-N 2 1 186.299 0.740 10 0 ACAEMP CCCCN1CCC[N@@H+](C)C[C@H]1C[NH3+] 249857620 572190649 /nfs/dbraw/zinc/19/06/49/572190649.db2.gz MMKFFTXHKKQQIX-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP CCCN1C[C@@H](C)[N@H+](C)C[C@H]1C[NH3+] 249864250 572190809 /nfs/dbraw/zinc/19/08/09/572190809.db2.gz BAXBWANKCQNPPE-NXEZZACHSA-N 2 1 185.315 0.360 10 0 ACAEMP CCCN1C[C@@H](C)[N@@H+](C)C[C@H]1C[NH3+] 249864250 572190811 /nfs/dbraw/zinc/19/08/11/572190811.db2.gz BAXBWANKCQNPPE-NXEZZACHSA-N 2 1 185.315 0.360 10 0 ACAEMP [NH3+]C[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H](O)C1 36128412 572191179 /nfs/dbraw/zinc/19/11/79/572191179.db2.gz FBLLBCWWXUNZJX-GARJFASQSA-N 2 1 198.310 0.571 10 0 ACAEMP CCCC[N@H+]1CCN(C)[C@@H](C[NH3+])C1 249852733 572191318 /nfs/dbraw/zinc/19/13/18/572191318.db2.gz KBIJDTRBDTTWOR-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP CCCN1C[C@H](C)[N@H+](C)C[C@H]1C[NH3+] 249864253 572191415 /nfs/dbraw/zinc/19/14/15/572191415.db2.gz BAXBWANKCQNPPE-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP CCCN1C[C@H](C)[N@@H+](C)C[C@H]1C[NH3+] 249864253 572191419 /nfs/dbraw/zinc/19/14/19/572191419.db2.gz BAXBWANKCQNPPE-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@H]1C[N@H+](CCCC[NH+](C)C)CCN1 83084003 572191705 /nfs/dbraw/zinc/19/17/05/572191705.db2.gz LSOCQJJIKMSPPP-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP C[C@H]1C[N@@H+](CCCC[NH+](C)C)CCN1 83084003 572191706 /nfs/dbraw/zinc/19/17/06/572191706.db2.gz LSOCQJJIKMSPPP-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP C[C@@H]1C[N@H+](CCCC[NH+](C)C)CCN1 83084001 572191922 /nfs/dbraw/zinc/19/19/22/572191922.db2.gz LSOCQJJIKMSPPP-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP C[C@@H]1C[N@@H+](CCCC[NH+](C)C)CCN1 83084001 572191924 /nfs/dbraw/zinc/19/19/24/572191924.db2.gz LSOCQJJIKMSPPP-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP CCCC[N@@H+]1CCCN(C)[C@@H](C[NH3+])C1 249904003 572192358 /nfs/dbraw/zinc/19/23/58/572192358.db2.gz XOBZHHNMNJLSAR-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CCCC[N@H+]1CCCN(C)[C@@H](C[NH3+])C1 249904003 572192361 /nfs/dbraw/zinc/19/23/61/572192361.db2.gz XOBZHHNMNJLSAR-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP C[C@@H]1CNCC[N@@H+]1CCCC[NH+](C)C 83087136 572192546 /nfs/dbraw/zinc/19/25/46/572192546.db2.gz NDDDXJXNEGSZAM-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP C[C@@H]1CNCC[N@H+]1CCCC[NH+](C)C 83087136 572192549 /nfs/dbraw/zinc/19/25/49/572192549.db2.gz NDDDXJXNEGSZAM-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP [NH3+]C[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H](O)C1 36128414 572192646 /nfs/dbraw/zinc/19/26/46/572192646.db2.gz FBLLBCWWXUNZJX-DCAQKATOSA-N 2 1 198.310 0.571 10 0 ACAEMP CCN(C)CC[N@H+]1CC[C@@H](CC[NH3+])C1 249902975 572192705 /nfs/dbraw/zinc/19/27/05/572192705.db2.gz GSGBCSMKAQWXQA-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP CC[C@](C[NH3+])([NH2+]CCOC)C1CC1 83057378 572192759 /nfs/dbraw/zinc/19/27/59/572192759.db2.gz ADTRIJRWTLJINM-SNVBAGLBSA-N 2 1 186.299 0.740 10 0 ACAEMP C[C@H]1CNCC[N@@H+]1CCCC[NH+](C)C 83087138 572192827 /nfs/dbraw/zinc/19/28/27/572192827.db2.gz NDDDXJXNEGSZAM-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP C[C@H]1CNCC[N@H+]1CCCC[NH+](C)C 83087138 572192833 /nfs/dbraw/zinc/19/28/33/572192833.db2.gz NDDDXJXNEGSZAM-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP CCC[N@H+]1C[C@@H](C[NH2+]C)N(C)C[C@H]1C 249875446 572194121 /nfs/dbraw/zinc/19/41/21/572194121.db2.gz DPPCBKBFJMMEAO-GHMZBOCLSA-N 2 1 199.342 0.620 10 0 ACAEMP CCCC[N@H+](CCO)[C@@H](C)C[NH3+] 43513727 572194770 /nfs/dbraw/zinc/19/47/70/572194770.db2.gz HDZHBILTUYYMRY-VIFPVBQESA-N 2 1 174.288 0.428 10 0 ACAEMP CCCC[N@@H+](CCO)[C@@H](C)C[NH3+] 43513727 572194772 /nfs/dbraw/zinc/19/47/72/572194772.db2.gz HDZHBILTUYYMRY-VIFPVBQESA-N 2 1 174.288 0.428 10 0 ACAEMP C1CC2(CC[NH2+]1)CC[N@H+](C1COC1)C2 687792946 572194976 /nfs/dbraw/zinc/19/49/76/572194976.db2.gz LJIHCQWAYAXIED-UHFFFAOYSA-N 2 1 196.294 0.461 10 0 ACAEMP CCC[N@H+]1CC[C@H](C)N(C)C[C@H]1CN 249950634 572196356 /nfs/dbraw/zinc/19/63/56/572196356.db2.gz IFXNGPHUBHBDPU-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CCC[N@H+]1C[C@H](C[NH2+]C)N(C)C[C@H]1C 249875449 572195583 /nfs/dbraw/zinc/19/55/83/572195583.db2.gz DPPCBKBFJMMEAO-MNOVXSKESA-N 2 1 199.342 0.620 10 0 ACAEMP CCC[N@H+]1C[C@H](CN(C)C)NC[C@H]1C 249950708 572195919 /nfs/dbraw/zinc/19/59/19/572195919.db2.gz IGUUFELATUSCEJ-MNOVXSKESA-N 2 1 199.342 0.620 10 0 ACAEMP CCCN1C[C@H](CN(C)C)[NH2+]C[C@H]1C 249950708 572195922 /nfs/dbraw/zinc/19/59/22/572195922.db2.gz IGUUFELATUSCEJ-MNOVXSKESA-N 2 1 199.342 0.620 10 0 ACAEMP CCC[N@H+]1C[C@@H](CN(C)C)NC[C@H]1C 249950704 572195998 /nfs/dbraw/zinc/19/59/98/572195998.db2.gz IGUUFELATUSCEJ-GHMZBOCLSA-N 2 1 199.342 0.620 10 0 ACAEMP CCCN1C[C@@H](CN(C)C)[NH2+]C[C@H]1C 249950704 572196001 /nfs/dbraw/zinc/19/60/01/572196001.db2.gz IGUUFELATUSCEJ-GHMZBOCLSA-N 2 1 199.342 0.620 10 0 ACAEMP [NH3+][C@H]1[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]12 249923065 572196348 /nfs/dbraw/zinc/19/63/48/572196348.db2.gz WSYIDFPYQKANCZ-URLYPYJESA-N 2 1 189.262 0.471 10 0 ACAEMP [NH3+][C@H]1[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]12 249923065 572196349 /nfs/dbraw/zinc/19/63/49/572196349.db2.gz WSYIDFPYQKANCZ-URLYPYJESA-N 2 1 189.262 0.471 10 0 ACAEMP CCC[N@H+]1CCN(C)[C@@H](CC[NH3+])C1 249883555 572196500 /nfs/dbraw/zinc/19/65/00/572196500.db2.gz GCVLQBXQOGRJEO-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP CC[C@@H](C(N)=[NH2+])N1CCC[N@@H+](C)CC1 43540857 572196562 /nfs/dbraw/zinc/19/65/62/572196562.db2.gz GLEIBSLDFCTRLJ-VIFPVBQESA-N 2 1 198.314 0.338 10 0 ACAEMP CCCC[N@@H+]1C[C@H](C[NH3+])N(C)[C@H](C)C1 249881405 572196642 /nfs/dbraw/zinc/19/66/42/572196642.db2.gz NSWLYDMYKBGIHF-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP C[NH2+]CC[C@H]1CCCC[N@H+]1CCO 70192906 572196799 /nfs/dbraw/zinc/19/67/99/572196799.db2.gz NRWJCFDVZSGNSS-SNVBAGLBSA-N 2 1 186.299 0.443 10 0 ACAEMP CC[C@H]1C[C@H]1[NH2+]CC[NH3+] 234090908 572196763 /nfs/dbraw/zinc/19/67/63/572196763.db2.gz JTTJEBFRCUXVBX-NKWVEPMBSA-N 2 1 128.219 0.333 10 0 ACAEMP CC[C@H](C[NH3+])[NH+]1CCC(O)CC1 43539263 572196918 /nfs/dbraw/zinc/19/69/18/572196918.db2.gz SMLBAGDRQZPKBD-MRVPVSSYSA-N 2 1 172.272 0.180 10 0 ACAEMP CCC[N@H+]1C[C@@H](C)CN(C)C[C@H]1CN 249945125 572196999 /nfs/dbraw/zinc/19/69/99/572196999.db2.gz HKYGNCYTZZIOPU-WDEREUQCSA-N 2 1 199.342 0.607 10 0 ACAEMP CC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])CCN1C 249917745 572197046 /nfs/dbraw/zinc/19/70/46/572197046.db2.gz KIGMJJMCEPCTSR-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP CCC[N@H+]1C[C@H](C)CN(C)C[C@H]1CN 249945123 572197400 /nfs/dbraw/zinc/19/74/00/572197400.db2.gz HKYGNCYTZZIOPU-GHMZBOCLSA-N 2 1 199.342 0.607 10 0 ACAEMP CCC[N@H+]1CC[C@@H](C)N(C)C[C@H]1CN 249950631 572197462 /nfs/dbraw/zinc/19/74/62/572197462.db2.gz IFXNGPHUBHBDPU-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP CCCC[N@H+](CCO)[C@@H](CC)C[NH3+] 43540206 572197888 /nfs/dbraw/zinc/19/78/88/572197888.db2.gz YXPOJGRIYDKNLT-JTQLQIEISA-N 2 1 188.315 0.818 10 0 ACAEMP CCCC[N@@H+](CCO)[C@@H](CC)C[NH3+] 43540206 572197891 /nfs/dbraw/zinc/19/78/91/572197891.db2.gz YXPOJGRIYDKNLT-JTQLQIEISA-N 2 1 188.315 0.818 10 0 ACAEMP CC[C@H](C(N)=[NH2+])N1CCC[N@@H+](C)CC1 43540858 572197977 /nfs/dbraw/zinc/19/79/77/572197977.db2.gz GLEIBSLDFCTRLJ-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP CCC[N@@H+]1[C@H](CN(C)C)CNC[C@H]1C 249949453 572199014 /nfs/dbraw/zinc/19/90/14/572199014.db2.gz ICEAFVHYXPZXMV-MNOVXSKESA-N 2 1 199.342 0.620 10 0 ACAEMP CC[C@@H](C[NH3+])[NH+]1CCC(O)CC1 43539262 572198237 /nfs/dbraw/zinc/19/82/37/572198237.db2.gz SMLBAGDRQZPKBD-QMMMGPOBSA-N 2 1 172.272 0.180 10 0 ACAEMP CCCC[N@H+]1C[C@H](C)N(C)[C@@H](C[NH3+])C1 249881407 572198257 /nfs/dbraw/zinc/19/82/57/572198257.db2.gz NSWLYDMYKBGIHF-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP CCC[N@H+]1[C@@H](C)CNC[C@H]1CN(C)C 249949456 572198369 /nfs/dbraw/zinc/19/83/69/572198369.db2.gz ICEAFVHYXPZXMV-QWRGUYRKSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[C@H](C[NH3+])[N@@H+]1CCC[C@H](O)C1 43539693 572198380 /nfs/dbraw/zinc/19/83/80/572198380.db2.gz VVFNOXDKHISCHF-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@H](C[NH3+])[N@H+]1CCC[C@H](O)C1 43539693 572198382 /nfs/dbraw/zinc/19/83/82/572198382.db2.gz VVFNOXDKHISCHF-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@@H](C[NH3+])[N@@H+]1CCC[C@H](O)C1 43539692 572198411 /nfs/dbraw/zinc/19/84/11/572198411.db2.gz VVFNOXDKHISCHF-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@@H](C[NH3+])[N@H+]1CCC[C@H](O)C1 43539692 572198413 /nfs/dbraw/zinc/19/84/13/572198413.db2.gz VVFNOXDKHISCHF-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[N@@H+](C)C[C@@H]1C[C@@H]([NH3+])CCN1C 249917742 572198468 /nfs/dbraw/zinc/19/84/68/572198468.db2.gz KIGMJJMCEPCTSR-UWVGGRQHSA-N 2 1 185.315 0.360 10 0 ACAEMP CC[C@H]1C[C@H]1[NH2+]CC1([NH3+])CC1 234089003 572198720 /nfs/dbraw/zinc/19/87/20/572198720.db2.gz ACZLWSMGHGNKPW-JGVFFNPUSA-N 2 1 154.257 0.866 10 0 ACAEMP CCC[N@H+]1CC[C@@]2(C1)[C@@H]([NH3+])CCN2C 711937294 572199215 /nfs/dbraw/zinc/19/92/15/572199215.db2.gz WGXRKQRGJDLUGD-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP C[C@H](C[N@@H+]1CCOC(C)(C)C1)C(N)=[NH2+] 36232622 572199146 /nfs/dbraw/zinc/19/91/46/572199146.db2.gz VDXNAKVEZWEOHY-MRVPVSSYSA-N 2 1 199.298 0.669 10 0 ACAEMP C[C@H](C[N@H+]1CCOC(C)(C)C1)C(N)=[NH2+] 36232622 572199149 /nfs/dbraw/zinc/19/91/49/572199149.db2.gz VDXNAKVEZWEOHY-MRVPVSSYSA-N 2 1 199.298 0.669 10 0 ACAEMP C[NH+](C)[C@H]1CC[C@@H]2C[N@@H+](C)C[C@H]1[C@@H]2O 78221201 572199205 /nfs/dbraw/zinc/19/92/05/572199205.db2.gz KJOZQPDRAILLFG-CHWFTXMASA-N 2 1 198.310 0.249 10 0 ACAEMP CCC[N@H+]1C[C@H](C)N(C)[C@@H](C[NH3+])C1 249957393 572199263 /nfs/dbraw/zinc/19/92/63/572199263.db2.gz JDNJHGYFMBHSFE-UWVGGRQHSA-N 2 1 185.315 0.360 10 0 ACAEMP CCC[N@H+]1C[C@H](C)N(C)[C@@H](CC[NH3+])C1 249963713 572199977 /nfs/dbraw/zinc/19/99/77/572199977.db2.gz JVTOMNKGTXOUMB-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H]([NH3+])CC[N@@H+]1CCOC(C)(C)C1 36232447 572199559 /nfs/dbraw/zinc/19/95/59/572199559.db2.gz IYNVQTLYDNNWEW-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@H]([NH3+])CC[N@H+]1CCOC(C)(C)C1 36232447 572199563 /nfs/dbraw/zinc/19/95/63/572199563.db2.gz IYNVQTLYDNNWEW-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@@H+](CCO)[C@@H]1CC[C@@H](CC[NH3+])C1 249964357 572199665 /nfs/dbraw/zinc/19/96/65/572199665.db2.gz FFLKVSOPKKXPMK-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP CCC[N@@H+]1C[C@H](CC[NH3+])N(C)[C@H](C)C1 249963712 572200329 /nfs/dbraw/zinc/20/03/29/572200329.db2.gz JVTOMNKGTXOUMB-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP COC[C@@]1(C2CC2)[C@@H]([NH3+])CC[N@@H+]1C 711938753 572201274 /nfs/dbraw/zinc/20/12/74/572201274.db2.gz YQUIWFKJLLBNEV-VHSXEESVSA-N 2 1 184.283 0.444 10 0 ACAEMP CCC[N@@H+]1C[C@@H](C[NH3+])N(C)CC[C@H]1C 249966529 572200665 /nfs/dbraw/zinc/20/06/65/572200665.db2.gz KFSUTKNOIAXGOM-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP CCC[N@H+]1C[C@@H](C[NH3+])N(C)CC[C@H]1C 249966529 572200669 /nfs/dbraw/zinc/20/06/69/572200669.db2.gz KFSUTKNOIAXGOM-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP 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CCC[N@@H+]1C[C@H](C[NH3+])N(C)[C@H](C)C1 249957398 572201751 /nfs/dbraw/zinc/20/17/51/572201751.db2.gz JDNJHGYFMBHSFE-ZJUUUORDSA-N 2 1 185.315 0.360 10 0 ACAEMP COC[C@@]1(C2CC2)[C@H]([NH3+])CC[N@@H+]1C 711938749 572201805 /nfs/dbraw/zinc/20/18/05/572201805.db2.gz YQUIWFKJLLBNEV-NXEZZACHSA-N 2 1 184.283 0.444 10 0 ACAEMP COC[C@@]1(C2CC2)[C@H]([NH3+])CC[N@H+]1C 711938749 572201808 /nfs/dbraw/zinc/20/18/08/572201808.db2.gz YQUIWFKJLLBNEV-NXEZZACHSA-N 2 1 184.283 0.444 10 0 ACAEMP CCC[N@@H+]1C[C@@H](C)CN(C)[C@@H](C[NH3+])C1 249962716 572201863 /nfs/dbraw/zinc/20/18/63/572201863.db2.gz JUMUAUZMAWBJHM-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP CCC[N@H+]1C[C@@H](C)CN(C)[C@@H](C[NH3+])C1 249962716 572201866 /nfs/dbraw/zinc/20/18/66/572201866.db2.gz JUMUAUZMAWBJHM-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP CCCC[N@@H+]1CCN2CCNC[C@H]2C1 249905851 572202002 /nfs/dbraw/zinc/20/20/02/572202002.db2.gz YFMQSPYLUVDAPS-NSHDSACASA-N 2 1 197.326 0.376 10 0 ACAEMP COC[C@]1(C2CC2)[C@H]([NH3+])CC[N@@H+]1C 711938754 572202284 /nfs/dbraw/zinc/20/22/84/572202284.db2.gz YQUIWFKJLLBNEV-ZJUUUORDSA-N 2 1 184.283 0.444 10 0 ACAEMP COC[C@]1(C2CC2)[C@H]([NH3+])CC[N@H+]1C 711938754 572202287 /nfs/dbraw/zinc/20/22/87/572202287.db2.gz YQUIWFKJLLBNEV-ZJUUUORDSA-N 2 1 184.283 0.444 10 0 ACAEMP C[N@H+]1CC[C@H](Nc2cc(N)cc[nH+]2)C1 43569122 572202303 /nfs/dbraw/zinc/20/23/03/572202303.db2.gz GVXLIDRMPUHMOQ-VIFPVBQESA-N 2 1 192.266 0.780 10 0 ACAEMP C[C@@H]1CCC[N@@H+]([C@@H]2COCC[C@@H]2[NH3+])C1 36305209 572202600 /nfs/dbraw/zinc/20/26/00/572202600.db2.gz KKJFDMWPHRMANF-OUAUKWLOSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1CCC[N@H+]([C@@H]2COCC[C@@H]2[NH3+])C1 36305209 572202603 /nfs/dbraw/zinc/20/26/03/572202603.db2.gz KKJFDMWPHRMANF-OUAUKWLOSA-N 2 1 198.310 0.835 10 0 ACAEMP CCC[N@@H+](C)CCC[NH3+] 19834719 572203001 /nfs/dbraw/zinc/20/30/01/572203001.db2.gz SMGLLZNMFIPPIT-UHFFFAOYSA-N 2 1 130.235 0.677 10 0 ACAEMP CC[C@H]1C[C@@H]1[NH2+]CC[NH3+] 234099356 572203267 /nfs/dbraw/zinc/20/32/67/572203267.db2.gz JTTJEBFRCUXVBX-BQBZGAKWSA-N 2 1 128.219 0.333 10 0 ACAEMP C[N@H+]1CC[C@@H](Nc2cc(N)cc[nH+]2)C1 43569123 572203491 /nfs/dbraw/zinc/20/34/91/572203491.db2.gz GVXLIDRMPUHMOQ-SECBINFHSA-N 2 1 192.266 0.780 10 0 ACAEMP COCC[NH2+][C@@]1(C[NH3+])CCC[C@@H]1C 83392771 572206555 /nfs/dbraw/zinc/20/65/55/572206555.db2.gz CGWKCYHHBIVFCZ-VHSXEESVSA-N 2 1 186.299 0.740 10 0 ACAEMP CC[C@H]1C[C@@H]1[NH2+]CC1([NH3+])CC1 234097274 572204336 /nfs/dbraw/zinc/20/43/36/572204336.db2.gz ACZLWSMGHGNKPW-YUMQZZPRSA-N 2 1 154.257 0.866 10 0 ACAEMP C[C@@H]1CCCC[N@@H+]1[C@@H]1COCC[C@@H]1[NH3+] 36305189 572204476 /nfs/dbraw/zinc/20/44/76/572204476.db2.gz PUBXLZJMMTYJNV-OUAUKWLOSA-N 2 1 198.310 0.977 10 0 ACAEMP C[C@@H]1CCCC[N@H+]1[C@@H]1COCC[C@@H]1[NH3+] 36305189 572204478 /nfs/dbraw/zinc/20/44/78/572204478.db2.gz PUBXLZJMMTYJNV-OUAUKWLOSA-N 2 1 198.310 0.977 10 0 ACAEMP CCC[N@@H+](C)CCC(N)=[NH2+] 19834290 572204936 /nfs/dbraw/zinc/20/49/36/572204936.db2.gz KJEDYJAGLLEQKX-UHFFFAOYSA-N 2 1 143.234 0.654 10 0 ACAEMP Cc1[nH+]ccn1CC[NH2+]C[C@H](C)CO 83386056 572206868 /nfs/dbraw/zinc/20/68/68/572206868.db2.gz HFSHBMHLNWROFD-VIFPVBQESA-N 2 1 197.282 0.410 10 0 ACAEMP COCC[NH2+][C@@]1(C[NH3+])CCC[C@H]1C 83392769 572207918 /nfs/dbraw/zinc/20/79/18/572207918.db2.gz CGWKCYHHBIVFCZ-NXEZZACHSA-N 2 1 186.299 0.740 10 0 ACAEMP COCC[NH2+][C@]1(C[NH3+])CCC[C@@H]1C 83392766 572208288 /nfs/dbraw/zinc/20/82/88/572208288.db2.gz CGWKCYHHBIVFCZ-UWVGGRQHSA-N 2 1 186.299 0.740 10 0 ACAEMP CC(C)[N@@H+]1C[C@H](C)CN(C)[C@H](C[NH3+])C1 219827006 572208859 /nfs/dbraw/zinc/20/88/59/572208859.db2.gz WKHGPSJHTUUHPS-GHMZBOCLSA-N 2 1 199.342 0.606 10 0 ACAEMP CC(C)[N@H+]1C[C@H](C)CN(C)[C@H](C[NH3+])C1 219827006 572208861 /nfs/dbraw/zinc/20/88/61/572208861.db2.gz WKHGPSJHTUUHPS-GHMZBOCLSA-N 2 1 199.342 0.606 10 0 ACAEMP Cc1[nH+]ccn1CCOC(C)(C)C[NH3+] 83400942 572209241 /nfs/dbraw/zinc/20/92/41/572209241.db2.gz JLIXHLXNWHUBEH-UHFFFAOYSA-N 2 1 197.282 0.945 10 0 ACAEMP CC(C)c1[nH+]ccn1CC(N)=[NH2+] 20030628 572209297 /nfs/dbraw/zinc/20/92/97/572209297.db2.gz OPCGXOGVDDTOJO-UHFFFAOYSA-N 2 1 166.228 0.942 10 0 ACAEMP C[NH2+]C[C@H]1CCN(c2[nH]cc(C)[nH+]2)C1 234412492 572209417 /nfs/dbraw/zinc/20/94/17/572209417.db2.gz QSLJEUISVIEQEE-SECBINFHSA-N 2 1 194.282 0.764 10 0 ACAEMP C[C@H]1CC[N@@H+](C[C@H](O)C[NH2+]C2CC2)C1 40717858 572210108 /nfs/dbraw/zinc/21/01/08/572210108.db2.gz BIJMRAYNEBOMPV-GXSJLCMTSA-N 2 1 198.310 0.441 10 0 ACAEMP CC(C)[C@@H](C[NH3+])N1CCC[N@@H+](C)CC1 20217695 572210170 /nfs/dbraw/zinc/21/01/70/572210170.db2.gz ZBBVBNLNJBXWGH-LLVKDONJSA-N 2 1 199.342 0.607 10 0 ACAEMP C[NH2+][C@@H]1CCCN(c2[nH]cc(C)[nH+]2)C1 234418933 572210295 /nfs/dbraw/zinc/21/02/95/572210295.db2.gz BJDQXWJYASZOOY-SECBINFHSA-N 2 1 194.282 0.906 10 0 ACAEMP C[NH2+][C@@H](C)CN1CC[N@@H+](C)C[C@@H]1C 234413963 572210380 /nfs/dbraw/zinc/21/03/80/572210380.db2.gz CXSYNHHFWDBXJK-UWVGGRQHSA-N 2 1 185.315 0.230 10 0 ACAEMP CC[C@@H](C[NH3+])N1CCC[N@@H+](C)CC1 20217701 572210524 /nfs/dbraw/zinc/21/05/24/572210524.db2.gz VGMCOKAFKLFZDQ-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP C[N@H+]1CCCN(C2CC[NH2+]CC2)CC1 20217635 572210559 /nfs/dbraw/zinc/21/05/59/572210559.db2.gz HFDLTQWWTKBNFG-UHFFFAOYSA-N 2 1 197.326 0.376 10 0 ACAEMP CC(C)[C@H](C[NH3+])N1CCC[N@@H+](C)CC1 20217696 572210590 /nfs/dbraw/zinc/21/05/90/572210590.db2.gz ZBBVBNLNJBXWGH-NSHDSACASA-N 2 1 199.342 0.607 10 0 ACAEMP CC[C@@](C)(C[NH3+])N1CCC[N@@H+](C)CC1 20217727 572211238 /nfs/dbraw/zinc/21/12/38/572211238.db2.gz XOJMGZVDGFMMBZ-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CC[NH2+]C[C@@H](O)C[N@H+]1CC[C@H](C)C1 40717842 572211447 /nfs/dbraw/zinc/21/14/47/572211447.db2.gz HXHXQMUNOQEKKH-VHSXEESVSA-N 2 1 186.299 0.299 10 0 ACAEMP CCC[N@H+]1C[C@@H]2CC([NH3+])C[C@H](C1)N2C 36448548 572211764 /nfs/dbraw/zinc/21/17/64/572211764.db2.gz SKKXQRGUHCFIIS-FGWVZKOKSA-N 2 1 197.326 0.502 10 0 ACAEMP C[N@H+]1CCCN(C(C)(C)C[NH3+])CC1 20217753 572211803 /nfs/dbraw/zinc/21/18/03/572211803.db2.gz OZVGIEQBSPIQBC-UHFFFAOYSA-N 2 1 185.315 0.361 10 0 ACAEMP COCCC[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 40740132 572212267 /nfs/dbraw/zinc/21/22/67/572212267.db2.gz ZWLCKDDBJUGXNN-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP COCCC[N@H+]1C[C@H]([NH3+])CC[C@H]1C 40740132 572212272 /nfs/dbraw/zinc/21/22/72/572212272.db2.gz ZWLCKDDBJUGXNN-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[NH2+]C[C@H](O)C[N@H+]1CC[C@H](C)C1 40717840 572212600 /nfs/dbraw/zinc/21/26/00/572212600.db2.gz HXHXQMUNOQEKKH-UWVGGRQHSA-N 2 1 186.299 0.299 10 0 ACAEMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH2+]C2CC2)C1 40717856 572212909 /nfs/dbraw/zinc/21/29/09/572212909.db2.gz BIJMRAYNEBOMPV-MWLCHTKSSA-N 2 1 198.310 0.441 10 0 ACAEMP CC[C@H](C[NH3+])N1CCC[N@@H+](C)CC1 20217702 572212918 /nfs/dbraw/zinc/21/29/18/572212918.db2.gz VGMCOKAFKLFZDQ-SNVBAGLBSA-N 2 1 185.315 0.361 10 0 ACAEMP CC[C@](C)(C[NH3+])N1CCC[N@@H+](C)CC1 20217728 572213094 /nfs/dbraw/zinc/21/30/94/572213094.db2.gz XOJMGZVDGFMMBZ-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP COCCC[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 40740128 572213241 /nfs/dbraw/zinc/21/32/41/572213241.db2.gz ZWLCKDDBJUGXNN-ZJUUUORDSA-N 2 1 186.299 0.835 10 0 ACAEMP COCCC[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 40740128 572213243 /nfs/dbraw/zinc/21/32/43/572213243.db2.gz ZWLCKDDBJUGXNN-ZJUUUORDSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@@H]([NH3+])[C@@H](C)N1CCC[N@@H+](C)CC1 20260629 572213872 /nfs/dbraw/zinc/21/38/72/572213872.db2.gz VNQPAGYBLYDLIP-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP CN(C)CC[NH2+]C[C@@H]1CCC[NH2+]C1 41203283 572214611 /nfs/dbraw/zinc/21/46/11/572214611.db2.gz QHVUTPZQBFUCKR-SNVBAGLBSA-N 2 1 185.315 0.137 10 0 ACAEMP CC[C@H]([NH3+])[C@@H](C)N1CCC[N@@H+](C)CC1 20260632 572214789 /nfs/dbraw/zinc/21/47/89/572214789.db2.gz VNQPAGYBLYDLIP-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H]([NH3+])C[C@H]1CCCC[N@H+]1CCO 687795518 572214924 /nfs/dbraw/zinc/21/49/24/572214924.db2.gz AOYODZVCXVNRII-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@](O)(C[NH3+])C[N@@H+]1CCC[C@H](F)C1 689407474 572215013 /nfs/dbraw/zinc/21/50/13/572215013.db2.gz MEIFKZCMVGJMCP-IUCAKERBSA-N 2 1 190.262 0.130 10 0 ACAEMP C[C@](O)(C[NH3+])C[N@H+]1CCC[C@H](F)C1 689407474 572215017 /nfs/dbraw/zinc/21/50/17/572215017.db2.gz MEIFKZCMVGJMCP-IUCAKERBSA-N 2 1 190.262 0.130 10 0 ACAEMP C[C@H]([NH3+])C[C@@H]1CCCC[N@H+]1CCO 687795519 572215275 /nfs/dbraw/zinc/21/52/75/572215275.db2.gz AOYODZVCXVNRII-UWVGGRQHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@H]([NH3+])C[C@H]1CCCC[N@H+]1CCO 687795520 572215283 /nfs/dbraw/zinc/21/52/83/572215283.db2.gz AOYODZVCXVNRII-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@](O)(C[NH3+])C[N@@H+]1CCC[C@@H](F)C1 689407469 572215427 /nfs/dbraw/zinc/21/54/27/572215427.db2.gz MEIFKZCMVGJMCP-BDAKNGLRSA-N 2 1 190.262 0.130 10 0 ACAEMP C[C@](O)(C[NH3+])C[N@H+]1CCC[C@@H](F)C1 689407469 572215431 /nfs/dbraw/zinc/21/54/31/572215431.db2.gz MEIFKZCMVGJMCP-BDAKNGLRSA-N 2 1 190.262 0.130 10 0 ACAEMP C[C@@](O)(C[NH3+])C[N@@H+]1CCC[C@@H](F)C1 689407477 572215609 /nfs/dbraw/zinc/21/56/09/572215609.db2.gz MEIFKZCMVGJMCP-RKDXNWHRSA-N 2 1 190.262 0.130 10 0 ACAEMP C[C@@](O)(C[NH3+])C[N@H+]1CCC[C@@H](F)C1 689407477 572215612 /nfs/dbraw/zinc/21/56/12/572215612.db2.gz MEIFKZCMVGJMCP-RKDXNWHRSA-N 2 1 190.262 0.130 10 0 ACAEMP CC[C@H]([NH3+])[C@H](C)N1CCC[N@@H+](C)CC1 20260638 572215639 /nfs/dbraw/zinc/21/56/39/572215639.db2.gz VNQPAGYBLYDLIP-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H]([NH3+])C[C@@H]1CCCC[N@H+]1CCO 687795521 572215673 /nfs/dbraw/zinc/21/56/73/572215673.db2.gz AOYODZVCXVNRII-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@](O)(C[NH3+])C[N@@H+]1CCC[C@H](F)C1 689407472 572215705 /nfs/dbraw/zinc/21/57/05/572215705.db2.gz MEIFKZCMVGJMCP-DTWKUNHWSA-N 2 1 190.262 0.130 10 0 ACAEMP C[C@@](O)(C[NH3+])C[N@H+]1CCC[C@H](F)C1 689407472 572215707 /nfs/dbraw/zinc/21/57/07/572215707.db2.gz MEIFKZCMVGJMCP-DTWKUNHWSA-N 2 1 190.262 0.130 10 0 ACAEMP C[N@H+]1CCC[C@@H]([NH2+]CCCC[NH3+])CC1 83418315 572218080 /nfs/dbraw/zinc/21/80/80/572218080.db2.gz CUUWUOLPBBEKGQ-LLVKDONJSA-N 3 1 199.342 0.799 10 0 ACAEMP CN1CCC[C@@H]([NH2+]CCCC[NH3+])CC1 83418315 572218081 /nfs/dbraw/zinc/21/80/81/572218081.db2.gz CUUWUOLPBBEKGQ-LLVKDONJSA-N 2 1 199.342 0.799 10 0 ACAEMP C[N@H+]1CCC[C@H]([NH2+]CCCO)CC1 83417892 572216369 /nfs/dbraw/zinc/21/63/69/572216369.db2.gz AXCHLHCTRUQOFJ-JTQLQIEISA-N 2 1 186.299 0.443 10 0 ACAEMP CCN[C@@]1(C[NH3+])CCC[N@@H+](CC)CC1 83422982 572216465 /nfs/dbraw/zinc/21/64/65/572216465.db2.gz VXAWKVJIBCIUNP-NSHDSACASA-N 3 1 199.342 0.799 10 0 ACAEMP CC[N@@H+](C)CCC[NH+](C)CCCO 196210146 572216540 /nfs/dbraw/zinc/21/65/40/572216540.db2.gz NDTDXXMAMVVCQD-UHFFFAOYSA-N 2 1 188.315 0.642 10 0 ACAEMP CC[NH+](C)CCC[N@H+](C)CCCO 196210146 572216542 /nfs/dbraw/zinc/21/65/42/572216542.db2.gz NDTDXXMAMVVCQD-UHFFFAOYSA-N 2 1 188.315 0.642 10 0 ACAEMP CC[NH+](C)CCC[N@@H+](C)CCCO 196210146 572216545 /nfs/dbraw/zinc/21/65/45/572216545.db2.gz NDTDXXMAMVVCQD-UHFFFAOYSA-N 2 1 188.315 0.642 10 0 ACAEMP C[C@H]([NH3+])CC[N@H+]1CCO[C@@H](C)C1 20429203 572218219 /nfs/dbraw/zinc/21/82/19/572218219.db2.gz DZMMRJQKRLTUAU-IUCAKERBSA-N 2 1 172.272 0.444 10 0 ACAEMP C[N@H+]1CCC[C@H]([NH2+]CCCC[NH3+])CC1 83418307 572216730 /nfs/dbraw/zinc/21/67/30/572216730.db2.gz CUUWUOLPBBEKGQ-NSHDSACASA-N 3 1 199.342 0.799 10 0 ACAEMP CN1CCC[C@H]([NH2+]CCCC[NH3+])CC1 83418307 572216732 /nfs/dbraw/zinc/21/67/32/572216732.db2.gz CUUWUOLPBBEKGQ-NSHDSACASA-N 2 1 199.342 0.799 10 0 ACAEMP CCC[N@H+]1CCC[C@H](NCC[NH3+])CC1 83422222 572216791 /nfs/dbraw/zinc/21/67/91/572216791.db2.gz MQCBYXZSYCAZRI-NSHDSACASA-N 2 1 199.342 0.799 10 0 ACAEMP CCC[N@H+]1CCC[C@@](C[NH3+])(NC)CC1 83422973 572218144 /nfs/dbraw/zinc/21/81/44/572218144.db2.gz SQNNAQVWECPSRJ-LLVKDONJSA-N 2 1 199.342 0.799 10 0 ACAEMP CC(C)[N@H+]1CCC[C@H](NCC[NH3+])CC1 83422203 572217008 /nfs/dbraw/zinc/21/70/08/572217008.db2.gz WMOGHWGATFSAGL-NSHDSACASA-N 2 1 199.342 0.798 10 0 ACAEMP C[N@H+]1CCC[C@@H](NCCC[NH3+])CC1 83418306 572217030 /nfs/dbraw/zinc/21/70/30/572217030.db2.gz RQFGKUZYZWDGEV-SNVBAGLBSA-N 3 1 185.315 0.409 10 0 ACAEMP C[N@@H+]1CCC[C@@H]([NH2+]CCC[NH3+])CC1 83418306 572217032 /nfs/dbraw/zinc/21/70/32/572217032.db2.gz RQFGKUZYZWDGEV-SNVBAGLBSA-N 3 1 185.315 0.409 10 0 ACAEMP C[N@H+]1CCC[C@@H]([NH2+]CCC[NH3+])CC1 83418306 572217034 /nfs/dbraw/zinc/21/70/34/572217034.db2.gz RQFGKUZYZWDGEV-SNVBAGLBSA-N 3 1 185.315 0.409 10 0 ACAEMP C[N@H+]1CCC[C@H](NCCC[NH3+])CC1 83418302 572217049 /nfs/dbraw/zinc/21/70/49/572217049.db2.gz RQFGKUZYZWDGEV-JTQLQIEISA-N 3 1 185.315 0.409 10 0 ACAEMP C[N@@H+]1CCC[C@H]([NH2+]CCC[NH3+])CC1 83418302 572217051 /nfs/dbraw/zinc/21/70/51/572217051.db2.gz RQFGKUZYZWDGEV-JTQLQIEISA-N 3 1 185.315 0.409 10 0 ACAEMP C[N@H+]1CCC[C@H]([NH2+]CCC[NH3+])CC1 83418302 572217053 /nfs/dbraw/zinc/21/70/53/572217053.db2.gz RQFGKUZYZWDGEV-JTQLQIEISA-N 3 1 185.315 0.409 10 0 ACAEMP CCC[NH2+][C@@]1(C[NH3+])CCCOCC1 83426045 572217101 /nfs/dbraw/zinc/21/71/01/572217101.db2.gz RRYKWJSLJILEMV-JTQLQIEISA-N 2 1 186.299 0.884 10 0 ACAEMP CCC[N@H+]1CCC[C@@H](NCC[NH3+])CC1 83422224 572217198 /nfs/dbraw/zinc/21/71/98/572217198.db2.gz MQCBYXZSYCAZRI-LLVKDONJSA-N 2 1 199.342 0.799 10 0 ACAEMP C[C@H](CO)C[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 687796769 572217217 /nfs/dbraw/zinc/21/72/17/572217217.db2.gz KHVWZGNROBYCSF-GARJFASQSA-N 2 1 198.310 0.108 10 0 ACAEMP C[C@H](CO)C[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 687796769 572217222 /nfs/dbraw/zinc/21/72/22/572217222.db2.gz KHVWZGNROBYCSF-GARJFASQSA-N 2 1 198.310 0.108 10 0 ACAEMP C[C@H](CO)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 687796769 572217226 /nfs/dbraw/zinc/21/72/26/572217226.db2.gz KHVWZGNROBYCSF-GARJFASQSA-N 2 1 198.310 0.108 10 0 ACAEMP C[NH2+]CCN(C)[C@@H]1CCC[N@@H+](C)CC1 83420020 572217395 /nfs/dbraw/zinc/21/73/95/572217395.db2.gz VNGPIPPUNPXTKD-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP CCN[C@]1(C[NH3+])CCC[N@@H+](CC)CC1 83422980 572217578 /nfs/dbraw/zinc/21/75/78/572217578.db2.gz VXAWKVJIBCIUNP-LLVKDONJSA-N 3 1 199.342 0.799 10 0 ACAEMP CCC[N@H+]1CCC[C@](C[NH3+])(NC)CC1 83422974 572217726 /nfs/dbraw/zinc/21/77/26/572217726.db2.gz SQNNAQVWECPSRJ-NSHDSACASA-N 2 1 199.342 0.799 10 0 ACAEMP C[C@H]([NH3+])CC[N@@H+]1CCO[C@@H](C)C1 20429203 572218217 /nfs/dbraw/zinc/21/82/17/572218217.db2.gz DZMMRJQKRLTUAU-IUCAKERBSA-N 2 1 172.272 0.444 10 0 ACAEMP Cc1[nH+]ccn1CC[C@H](C)[NH3+] 20429231 572218282 /nfs/dbraw/zinc/21/82/82/572218282.db2.gz ZWLYKEBFVXVKQI-ZETCQYMHSA-N 2 1 153.229 0.929 10 0 ACAEMP C[NH2+]CCN(C)[C@H]1CCC[N@@H+](C)CC1 83420023 572218439 /nfs/dbraw/zinc/21/84/39/572218439.db2.gz VNGPIPPUNPXTKD-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP CC[N@H+]1CCC[C@H](N(C)CC[NH3+])CC1 83423454 572218463 /nfs/dbraw/zinc/21/84/63/572218463.db2.gz FKNAKUJMRIDURS-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CC[N@H+]1CCC[C@H]([NH2+]CCC[NH3+])CC1 83422231 572218809 /nfs/dbraw/zinc/21/88/09/572218809.db2.gz KZCACAFCLNGWOG-NSHDSACASA-N 3 1 199.342 0.799 10 0 ACAEMP CC[N@H+]1CCC[C@@H](NCC[NH3+])CC1 83422219 572218532 /nfs/dbraw/zinc/21/85/32/572218532.db2.gz MSBGITCHXOWPFI-SNVBAGLBSA-N 2 1 185.315 0.409 10 0 ACAEMP CC[NH+](CC)C[C@@H](C)[NH2+]C 43808952 572218566 /nfs/dbraw/zinc/21/85/66/572218566.db2.gz CFECMQYNBQYDRQ-MRVPVSSYSA-N 2 1 144.262 0.936 10 0 ACAEMP CCCN[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 83419464 572218771 /nfs/dbraw/zinc/21/87/71/572218771.db2.gz XMOGQTUKNNKZBC-NSHDSACASA-N 3 1 199.342 0.799 10 0 ACAEMP CC[N@H+]1CCC[C@H](NCCC[NH3+])CC1 83422231 572218803 /nfs/dbraw/zinc/21/88/03/572218803.db2.gz KZCACAFCLNGWOG-NSHDSACASA-N 3 1 199.342 0.799 10 0 ACAEMP CC[N@@H+]1CCC[C@H]([NH2+]CCC[NH3+])CC1 83422231 572218807 /nfs/dbraw/zinc/21/88/07/572218807.db2.gz KZCACAFCLNGWOG-NSHDSACASA-N 3 1 199.342 0.799 10 0 ACAEMP CC(C)[N@H+]1CCC[C@@H](NCC[NH3+])CC1 83422205 572218877 /nfs/dbraw/zinc/21/88/77/572218877.db2.gz WMOGHWGATFSAGL-LLVKDONJSA-N 2 1 199.342 0.798 10 0 ACAEMP CC[N@H+]1CCC[C@H](NCC[NH3+])CC1 83422207 572219036 /nfs/dbraw/zinc/21/90/36/572219036.db2.gz MSBGITCHXOWPFI-JTQLQIEISA-N 2 1 185.315 0.409 10 0 ACAEMP C[C@H]1C[N@H+](CC[C@@H](C)[NH3+])CCO1 20429202 572219054 /nfs/dbraw/zinc/21/90/54/572219054.db2.gz DZMMRJQKRLTUAU-BDAKNGLRSA-N 2 1 172.272 0.444 10 0 ACAEMP C[C@H]1C[N@@H+](CC[C@@H](C)[NH3+])CCO1 20429202 572219058 /nfs/dbraw/zinc/21/90/58/572219058.db2.gz DZMMRJQKRLTUAU-BDAKNGLRSA-N 2 1 172.272 0.444 10 0 ACAEMP CC[N@H+]1CCC[C@@H](NCCC[NH3+])CC1 83422235 572219113 /nfs/dbraw/zinc/21/91/13/572219113.db2.gz KZCACAFCLNGWOG-LLVKDONJSA-N 3 1 199.342 0.799 10 0 ACAEMP CC[N@@H+]1CCC[C@@H]([NH2+]CCC[NH3+])CC1 83422235 572219116 /nfs/dbraw/zinc/21/91/16/572219116.db2.gz KZCACAFCLNGWOG-LLVKDONJSA-N 3 1 199.342 0.799 10 0 ACAEMP CC[N@H+]1CCC[C@@H]([NH2+]CCC[NH3+])CC1 83422235 572219118 /nfs/dbraw/zinc/21/91/18/572219118.db2.gz KZCACAFCLNGWOG-LLVKDONJSA-N 3 1 199.342 0.799 10 0 ACAEMP CCCN[C@]1(C[NH3+])CCC[N@@H+](C)CC1 83419461 572219234 /nfs/dbraw/zinc/21/92/34/572219234.db2.gz XMOGQTUKNNKZBC-LLVKDONJSA-N 3 1 199.342 0.799 10 0 ACAEMP C[C@H]([NH3+])CCN1CCC[N@@H+](C)CC1 20429219 572219465 /nfs/dbraw/zinc/21/94/65/572219465.db2.gz GFCUNVCCBYKNFJ-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP C[C@H]([NH3+])CC[N@@H+]1CCCN(C)CC1 20429219 572219467 /nfs/dbraw/zinc/21/94/67/572219467.db2.gz GFCUNVCCBYKNFJ-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP C[C@H]([NH3+])CC[N@H+]1CCCN(C)CC1 20429219 572219471 /nfs/dbraw/zinc/21/94/71/572219471.db2.gz GFCUNVCCBYKNFJ-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP CC[N@H+]1CCC[C@@H](N(C)CC[NH3+])CC1 83423455 572219491 /nfs/dbraw/zinc/21/94/91/572219491.db2.gz FKNAKUJMRIDURS-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP C[C@@H](CO)C[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 687796771 572219499 /nfs/dbraw/zinc/21/94/99/572219499.db2.gz KHVWZGNROBYCSF-MXWKQRLJSA-N 2 1 198.310 0.108 10 0 ACAEMP C[C@@H](CO)C[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 687796771 572219503 /nfs/dbraw/zinc/21/95/03/572219503.db2.gz KHVWZGNROBYCSF-MXWKQRLJSA-N 2 1 198.310 0.108 10 0 ACAEMP C[C@@H](CO)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 687796771 572219504 /nfs/dbraw/zinc/21/95/04/572219504.db2.gz KHVWZGNROBYCSF-MXWKQRLJSA-N 2 1 198.310 0.108 10 0 ACAEMP C[N@H+]1CCC[C@@H]([NH2+]CCCO)CC1 83417895 572219687 /nfs/dbraw/zinc/21/96/87/572219687.db2.gz AXCHLHCTRUQOFJ-SNVBAGLBSA-N 2 1 186.299 0.443 10 0 ACAEMP Cc1[nH+]ccn1CC[C@@H](C)[NH3+] 20429230 572220158 /nfs/dbraw/zinc/22/01/58/572220158.db2.gz ZWLYKEBFVXVKQI-SSDOTTSWSA-N 2 1 153.229 0.929 10 0 ACAEMP CC[C@H]1C[N@@H+](C)CCCN1C(=[NH2+])NC 234107405 572220232 /nfs/dbraw/zinc/22/02/32/572220232.db2.gz RWUBHBKTRCETSV-VIFPVBQESA-N 2 1 198.314 0.557 10 0 ACAEMP CC[N@@H+](C)CC[C@@H](C)[NH2+]C 43820194 572220256 /nfs/dbraw/zinc/22/02/56/572220256.db2.gz WVGONKLNGCOTJJ-MRVPVSSYSA-N 2 1 144.262 0.936 10 0 ACAEMP C[N@H+]1CC2C[C@H]3C[NH2+]C[C@@H](C2)C31 20380879 572220288 /nfs/dbraw/zinc/22/02/88/572220288.db2.gz DHMPHFGXYVPREG-XWJSGITJSA-N 2 1 166.268 0.546 10 0 ACAEMP CC[N@@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 43820246 572220476 /nfs/dbraw/zinc/22/04/76/572220476.db2.gz SOBROWJOCYBOPP-SFYZADRCSA-N 2 1 144.262 0.935 10 0 ACAEMP CC[N@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 43820246 572220473 /nfs/dbraw/zinc/22/04/73/572220473.db2.gz SOBROWJOCYBOPP-SFYZADRCSA-N 2 1 144.262 0.935 10 0 ACAEMP C[NH2+]CC[N@H+](C)[C@@H]1CCCOCC1 83426373 572220615 /nfs/dbraw/zinc/22/06/15/572220615.db2.gz WUGTVWPZVYOEAB-SNVBAGLBSA-N 2 1 186.299 0.707 10 0 ACAEMP C[NH2+]CC[N@@H+](C)[C@@H]1CCCOCC1 83426373 572220618 /nfs/dbraw/zinc/22/06/18/572220618.db2.gz WUGTVWPZVYOEAB-SNVBAGLBSA-N 2 1 186.299 0.707 10 0 ACAEMP CC[N@@H+](C)CC[C@H](C)[NH2+]C 43820197 572221006 /nfs/dbraw/zinc/22/10/06/572221006.db2.gz WVGONKLNGCOTJJ-QMMMGPOBSA-N 2 1 144.262 0.936 10 0 ACAEMP [NH3+]CC[N@@H+]1CC2CCC1CC2 20441489 572221023 /nfs/dbraw/zinc/22/10/23/572221023.db2.gz QTRAEHVUBYKXSL-UHFFFAOYSA-N 2 1 154.257 0.820 10 0 ACAEMP [NH3+]CC[N@H+]1CC2CCC1CC2 20441489 572221027 /nfs/dbraw/zinc/22/10/27/572221027.db2.gz QTRAEHVUBYKXSL-UHFFFAOYSA-N 2 1 154.257 0.820 10 0 ACAEMP CC[C@](C)([NH3+])CN1CC[N@@H+](C)C[C@@H]1C 234116928 572221224 /nfs/dbraw/zinc/22/12/24/572221224.db2.gz XSQJMWSYLWHMQW-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@H]1CN(C2(C[NH3+])CC2)CC[N@H+]1C 234108715 572221560 /nfs/dbraw/zinc/22/15/60/572221560.db2.gz WRPSFRNWWDVPJL-JTQLQIEISA-N 2 1 197.326 0.504 10 0 ACAEMP C[NH2+]CC[N@H+](C)[C@H]1CCCOCC1 83426374 572221644 /nfs/dbraw/zinc/22/16/44/572221644.db2.gz WUGTVWPZVYOEAB-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP C[NH2+]CC[N@@H+](C)[C@H]1CCCOCC1 83426374 572221647 /nfs/dbraw/zinc/22/16/47/572221647.db2.gz WUGTVWPZVYOEAB-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP C[C@H]([NH3+])Cc1c[nH+]cn1C 20445969 572221666 /nfs/dbraw/zinc/22/16/66/572221666.db2.gz XKUDYRPWUDVKEY-LURJTMIESA-N 2 1 139.202 0.310 10 0 ACAEMP CC[C@H]([NH3+])Cn1cc[nH+]c1C 20440650 572221978 /nfs/dbraw/zinc/22/19/78/572221978.db2.gz DSKMIKPUSDVEBI-QMMMGPOBSA-N 2 1 153.229 0.929 10 0 ACAEMP CC(C)n1c[nH+]cc1CC[NH3+] 20440744 572222244 /nfs/dbraw/zinc/22/22/44/572222244.db2.gz REONLTCDZAYJAA-UHFFFAOYSA-N 2 1 153.229 0.965 10 0 ACAEMP CC[N@H+](C)[C@H](C)[C@@H](C)[NH2+]C 43820249 572222433 /nfs/dbraw/zinc/22/24/33/572222433.db2.gz SOBROWJOCYBOPP-HTQZYQBOSA-N 2 1 144.262 0.935 10 0 ACAEMP CC[N@@H+](C)[C@H](C)[C@@H](C)[NH2+]C 43820249 572222435 /nfs/dbraw/zinc/22/24/35/572222435.db2.gz SOBROWJOCYBOPP-HTQZYQBOSA-N 2 1 144.262 0.935 10 0 ACAEMP C[NH2+][C@@H](C)CCN1CCC[N@@H+](C)CC1 43818255 572222510 /nfs/dbraw/zinc/22/25/10/572222510.db2.gz RKZBMECGZLGESD-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP C[N@@H+](CCC[NH3+])C1CC1 36732072 572222699 /nfs/dbraw/zinc/22/26/99/572222699.db2.gz CMOHRTBZFZWVPQ-UHFFFAOYSA-N 2 1 128.219 0.429 10 0 ACAEMP CC[C@@H]([NH3+])Cn1cc[nH+]c1C 20440646 572223199 /nfs/dbraw/zinc/22/31/99/572223199.db2.gz DSKMIKPUSDVEBI-MRVPVSSYSA-N 2 1 153.229 0.929 10 0 ACAEMP CCn1c[nH+]cc1CC[NH3+] 20440740 572223411 /nfs/dbraw/zinc/22/34/11/572223411.db2.gz HYPFUJPUZWUNAJ-UHFFFAOYSA-N 2 1 139.202 0.404 10 0 ACAEMP C[NH+](C)CCN1CCCC1=[NH2+] 20443800 572223521 /nfs/dbraw/zinc/22/35/21/572223521.db2.gz GPSFBZDDKQCQSI-UHFFFAOYSA-N 2 1 155.245 0.621 10 0 ACAEMP CC(C)[C@H]1C[C@H]([NH2+]CC[NH3+])CCO1 70357093 572223811 /nfs/dbraw/zinc/22/38/11/572223811.db2.gz SIAMLOSQWRABFX-NXEZZACHSA-N 2 1 186.299 0.738 10 0 ACAEMP CC(C)[C@H]1C[C@@H]([NH2+]CC[NH3+])CCO1 70357095 572224377 /nfs/dbraw/zinc/22/43/77/572224377.db2.gz SIAMLOSQWRABFX-VHSXEESVSA-N 2 1 186.299 0.738 10 0 ACAEMP C[C@H](CC[NH3+])[N@@H+](C)C[C@]12COC[C@H]1C2 689299718 572224400 /nfs/dbraw/zinc/22/44/00/572224400.db2.gz XHTTXATUGBRVPA-GMTAPVOTSA-N 2 1 198.310 0.692 10 0 ACAEMP CCC(C)(C)[NH2+]C[C@H](O)C[NH+](C)C 37873019 572224880 /nfs/dbraw/zinc/22/48/80/572224880.db2.gz WDUWWOYTEDVAHU-VIFPVBQESA-N 2 1 188.315 0.687 10 0 ACAEMP CC(C)[C@@H]1C[C@@H]([NH2+]CC[NH3+])CCO1 70357094 572224757 /nfs/dbraw/zinc/22/47/57/572224757.db2.gz SIAMLOSQWRABFX-UWVGGRQHSA-N 2 1 186.299 0.738 10 0 ACAEMP CC[C@H]1C[N@@H+](C)CCCN1[C@@H](C)C[NH3+] 234115165 572225488 /nfs/dbraw/zinc/22/54/88/572225488.db2.gz PMOWAYFNXXTCAV-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP CC(C)[C@@H]1C[C@H]([NH2+]CC[NH3+])CCO1 70357092 572225706 /nfs/dbraw/zinc/22/57/06/572225706.db2.gz SIAMLOSQWRABFX-ZJUUUORDSA-N 2 1 186.299 0.738 10 0 ACAEMP C[C@H]1CCC[C@@H](C)[N@H+]1C[C@H](O)C[NH3+] 36879434 572226561 /nfs/dbraw/zinc/22/65/61/572226561.db2.gz USBVRCGGBVULIX-KXUCPTDWSA-N 2 1 186.299 0.569 10 0 ACAEMP C[C@H](CC[NH3+])[N@@H+](C)C[C@@]12COC[C@@H]1C2 689299725 572226836 /nfs/dbraw/zinc/22/68/36/572226836.db2.gz XHTTXATUGBRVPA-VWYCJHECSA-N 2 1 198.310 0.692 10 0 ACAEMP CC[C@@H]([NH3+])CN1CCC[N@@H+](C)CC1 36872016 572227475 /nfs/dbraw/zinc/22/74/75/572227475.db2.gz ZFPNQRSTIHDNGR-SNVBAGLBSA-N 2 1 185.315 0.361 10 0 ACAEMP C[N@H+](CC[NH3+])CCC[C@H]1CCCO1 83525917 572227524 /nfs/dbraw/zinc/22/75/24/572227524.db2.gz MXRNVAYNLBRGAE-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP C[N@@H+](CC[NH3+])CCC[C@H]1CCCO1 83525917 572227527 /nfs/dbraw/zinc/22/75/27/572227527.db2.gz MXRNVAYNLBRGAE-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP C1CC1[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 20639979 572227584 /nfs/dbraw/zinc/22/75/84/572227584.db2.gz UNEIMBQVVLTHGX-OCAPTIKFSA-N 2 1 152.241 0.300 10 0 ACAEMP CC[NH2+][C@H](C)CC[N@H+](C)CCOC 43916117 572228059 /nfs/dbraw/zinc/22/80/59/572228059.db2.gz IUHWRPFXQFDKMG-SNVBAGLBSA-N 2 1 188.315 0.953 10 0 ACAEMP CC[NH2+][C@H](C)CC[N@@H+](C)CCOC 43916117 572228060 /nfs/dbraw/zinc/22/80/60/572228060.db2.gz IUHWRPFXQFDKMG-SNVBAGLBSA-N 2 1 188.315 0.953 10 0 ACAEMP CC[C@H]([NH3+])C[N@H+](C)CC 36872039 572228090 /nfs/dbraw/zinc/22/80/90/572228090.db2.gz SUAVTRWGUZCLCM-ZETCQYMHSA-N 2 1 130.235 0.675 10 0 ACAEMP CC[C@H]([NH3+])C[N@@H+](C)CC 36872039 572228093 /nfs/dbraw/zinc/22/80/93/572228093.db2.gz SUAVTRWGUZCLCM-ZETCQYMHSA-N 2 1 130.235 0.675 10 0 ACAEMP [NH3+]CC[NH2+]CC[C@@H]1C[C@H]1C1CC1 711989640 572228109 /nfs/dbraw/zinc/22/81/09/572228109.db2.gz TUOOFDIMSXWNHN-ZJUUUORDSA-N 2 1 168.284 0.971 10 0 ACAEMP CC[C@@H]([NH3+])C[N@H+](C)CC 36872040 572228746 /nfs/dbraw/zinc/22/87/46/572228746.db2.gz SUAVTRWGUZCLCM-SSDOTTSWSA-N 2 1 130.235 0.675 10 0 ACAEMP CC[C@@H]([NH3+])C[N@@H+](C)CC 36872040 572228749 /nfs/dbraw/zinc/22/87/49/572228749.db2.gz SUAVTRWGUZCLCM-SSDOTTSWSA-N 2 1 130.235 0.675 10 0 ACAEMP C[N@H+](CC[NH3+])CCC[C@@H]1CCCO1 83525916 572228994 /nfs/dbraw/zinc/22/89/94/572228994.db2.gz MXRNVAYNLBRGAE-SNVBAGLBSA-N 2 1 186.299 0.836 10 0 ACAEMP C[N@@H+](CC[NH3+])CCC[C@@H]1CCCO1 83525916 572228997 /nfs/dbraw/zinc/22/89/97/572228997.db2.gz MXRNVAYNLBRGAE-SNVBAGLBSA-N 2 1 186.299 0.836 10 0 ACAEMP C[C@H]([NH2+]CCC[NH3+])c1cnccn1 70479158 572230496 /nfs/dbraw/zinc/23/04/96/572230496.db2.gz SDWFTLNKWKXRDG-QMMMGPOBSA-N 2 1 180.255 0.476 10 0 ACAEMP C[NH+](C)C[C@H](O)C[NH2+]CC1CCC1 37886227 572229639 /nfs/dbraw/zinc/22/96/39/572229639.db2.gz SMNOJUFBZXOELQ-SNVBAGLBSA-N 2 1 186.299 0.299 10 0 ACAEMP COCC[N@H+]1CC[C@H]([NH3+])[C@@]1(C)C1CC1 711988078 572229697 /nfs/dbraw/zinc/22/96/97/572229697.db2.gz UYIAHLXTFOCTPR-WDEREUQCSA-N 2 1 198.310 0.835 10 0 ACAEMP [NH3+]CC[NH2+]CCC[C@@H]1CCCO1 83526606 572229763 /nfs/dbraw/zinc/22/97/63/572229763.db2.gz FKNYWKKVRCVBSF-SECBINFHSA-N 2 1 172.272 0.494 10 0 ACAEMP [NH3+]CC[NH2+]CCC[C@H]1CCCO1 83526605 572229875 /nfs/dbraw/zinc/22/98/75/572229875.db2.gz FKNYWKKVRCVBSF-VIFPVBQESA-N 2 1 172.272 0.494 10 0 ACAEMP C[N@H+](CCC(N)=[NH2+])CC[C@@H]1CCCO1 83527218 572230344 /nfs/dbraw/zinc/23/03/44/572230344.db2.gz KECNHDIMQLYIEC-VIFPVBQESA-N 2 1 199.298 0.813 10 0 ACAEMP C[NH2+][C@@H]1CCN(c2[nH+]c(C)cn2C)C1 234420892 572231908 /nfs/dbraw/zinc/23/19/08/572231908.db2.gz HIZCQPCXFHXWCK-SECBINFHSA-N 2 1 194.282 0.527 10 0 ACAEMP CC(C)C[N@H+](CC[NH3+])[C@@H]1CCOC1 69849198 572232168 /nfs/dbraw/zinc/23/21/68/572232168.db2.gz NXESRDCGXTUFED-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)C[N@@H+](CC[NH3+])[C@@H]1CCOC1 69849198 572232174 /nfs/dbraw/zinc/23/21/74/572232174.db2.gz NXESRDCGXTUFED-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP C[N@@H+](CCO)Cc1ccccc1C[NH3+] 37895167 572232283 /nfs/dbraw/zinc/23/22/83/572232283.db2.gz PFMVRERIGSHHST-UHFFFAOYSA-N 2 1 194.278 0.569 10 0 ACAEMP C[C@@H]([NH2+]CCC[NH3+])c1cnccn1 70479159 572232292 /nfs/dbraw/zinc/23/22/92/572232292.db2.gz SDWFTLNKWKXRDG-MRVPVSSYSA-N 2 1 180.255 0.476 10 0 ACAEMP C[N@@H+](CCO)[C@H]1CCCC[C@@H]1C[NH3+] 37899225 572232621 /nfs/dbraw/zinc/23/26/21/572232621.db2.gz GHCCSZSOHRDUFP-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@@H+](CCO)[C@@H]1CCCC[C@@H]1C[NH3+] 37899224 572232645 /nfs/dbraw/zinc/23/26/45/572232645.db2.gz GHCCSZSOHRDUFP-NXEZZACHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@@H+](CCO)[C@@H]1CCC[C@@H]1C[NH3+] 37899222 572232983 /nfs/dbraw/zinc/23/29/83/572232983.db2.gz MFRCIFVVELHTFE-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP CC(C)C[N@H+](CC[NH3+])[C@H]1CCOC1 69849199 572233308 /nfs/dbraw/zinc/23/33/08/572233308.db2.gz NXESRDCGXTUFED-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)C[N@@H+](CC[NH3+])[C@H]1CCOC1 69849199 572233312 /nfs/dbraw/zinc/23/33/12/572233312.db2.gz NXESRDCGXTUFED-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP C[N@@H+](CCO)[C@H]1CCC[C@@H]1C[NH3+] 37899223 572233618 /nfs/dbraw/zinc/23/36/18/572233618.db2.gz MFRCIFVVELHTFE-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP COCCC[N@@H+](C)C[C@H](C)C(N)=[NH2+] 42459812 572235939 /nfs/dbraw/zinc/23/59/39/572235939.db2.gz ZDGFKPMSHIDYSZ-QMMMGPOBSA-N 2 1 187.287 0.527 10 0 ACAEMP CC(C)[N@H+]1CCCN(CC[NH3+])CC1 37039724 572235918 /nfs/dbraw/zinc/23/59/18/572235918.db2.gz RWELUVSCFVZNON-UHFFFAOYSA-N 2 1 185.315 0.361 10 0 ACAEMP COCC[N@@H+](C)[C@H](C)CC(N)=[NH2+] 42459402 572235510 /nfs/dbraw/zinc/23/55/10/572235510.db2.gz FAXIIBAMFHPXQE-SSDOTTSWSA-N 2 1 173.260 0.279 10 0 ACAEMP COC[C@H](C)[N@@H+](C)[C@H](C)CC[NH3+] 42517543 572235566 /nfs/dbraw/zinc/23/55/66/572235566.db2.gz MCZPZDAEJAQPCO-BDAKNGLRSA-N 2 1 174.288 0.690 10 0 ACAEMP COC[C@H](C)[N@H+](C)[C@H](C)CN 42517694 572235685 /nfs/dbraw/zinc/23/56/85/572235685.db2.gz OBGJDDYWOSUVOX-SFYZADRCSA-N 2 1 160.261 0.300 10 0 ACAEMP COC[C@H](C)[N@@H+](C)[C@H](C)CN 42517694 572235686 /nfs/dbraw/zinc/23/56/86/572235686.db2.gz OBGJDDYWOSUVOX-SFYZADRCSA-N 2 1 160.261 0.300 10 0 ACAEMP COC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] 42517496 572235724 /nfs/dbraw/zinc/23/57/24/572235724.db2.gz LGMLKBKMOMLSAT-BDAKNGLRSA-N 2 1 174.288 0.548 10 0 ACAEMP COC[C@H](C)[N@@H+](C)[C@H](CN)C(C)C 42517829 572236042 /nfs/dbraw/zinc/23/60/42/572236042.db2.gz OYYOJABORDKFMQ-VHSXEESVSA-N 2 1 188.315 0.936 10 0 ACAEMP COC[C@H](C)[N@@H+](C)[C@H](C[NH3+])C(C)C 42517829 572236047 /nfs/dbraw/zinc/23/60/47/572236047.db2.gz OYYOJABORDKFMQ-VHSXEESVSA-N 2 1 188.315 0.936 10 0 ACAEMP CC[C@H](CC(N)=[NH2+])[N@H+]1CCC[C@H](O)C1 42468740 572236091 /nfs/dbraw/zinc/23/60/91/572236091.db2.gz RKOOWUYWXVDMHT-BDAKNGLRSA-N 2 1 199.298 0.548 10 0 ACAEMP COCC[N@@H+](C)C[C@H](C)C(N)=[NH2+] 42459392 572236340 /nfs/dbraw/zinc/23/63/40/572236340.db2.gz KAFQDQKDOPBNQD-ZETCQYMHSA-N 2 1 173.260 0.137 10 0 ACAEMP CC[C@@H](CC(N)=[NH2+])[N@H+]1CCC[C@H](O)C1 42468737 572236356 /nfs/dbraw/zinc/23/63/56/572236356.db2.gz RKOOWUYWXVDMHT-IUCAKERBSA-N 2 1 199.298 0.548 10 0 ACAEMP C[NH2+][C@H]1CCN(CC[N@@H+](C)C(C)C)C1 70585301 572236995 /nfs/dbraw/zinc/23/69/95/572236995.db2.gz JZHABXNCZPSSIM-NSHDSACASA-N 2 1 199.342 0.620 10 0 ACAEMP CC(C)[N@@H+](C)CCN1CC[C@H]([NH3+])C1 70585306 572236760 /nfs/dbraw/zinc/23/67/60/572236760.db2.gz UXYMVBVDWSQXOO-JTQLQIEISA-N 2 1 185.315 0.360 10 0 ACAEMP OCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 43445708 572236852 /nfs/dbraw/zinc/23/68/52/572236852.db2.gz FRFBEANGGZXSNR-WDEREUQCSA-N 2 1 198.310 0.585 10 0 ACAEMP OCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 43445708 572236855 /nfs/dbraw/zinc/23/68/55/572236855.db2.gz FRFBEANGGZXSNR-WDEREUQCSA-N 2 1 198.310 0.585 10 0 ACAEMP [NH3+]CC[C@H](O)C[N@H+]1CCC[C@H](F)C1 689409721 572236936 /nfs/dbraw/zinc/23/69/36/572236936.db2.gz VLMHOVYKYNKVOL-IUCAKERBSA-N 2 1 190.262 0.130 10 0 ACAEMP [NH3+]CC[C@H](O)C[N@H+]1CCC[C@@H](F)C1 689409719 572236946 /nfs/dbraw/zinc/23/69/46/572236946.db2.gz VLMHOVYKYNKVOL-BDAKNGLRSA-N 2 1 190.262 0.130 10 0 ACAEMP C[NH2+][C@H]1CCN(CC[N@@H+](C)C2CC2)C1 70585733 572237240 /nfs/dbraw/zinc/23/72/40/572237240.db2.gz MLGOBDQHPRPICG-JTQLQIEISA-N 2 1 197.326 0.374 10 0 ACAEMP CC[C@H]1CCC[N@H+]1C[C@H](O)C[NH3+] 37913573 572237339 /nfs/dbraw/zinc/23/73/39/572237339.db2.gz GZPXPILPMCLLNE-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[NH2+][C@H]1CCN(CC[N@@H+](C)CC)C1 70585348 572237497 /nfs/dbraw/zinc/23/74/97/572237497.db2.gz HWLKFFTXCHRQAN-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP [NH3+]CC[C@@H](O)C[N@H+]1CCC[C@@H](F)C1 689409722 572237700 /nfs/dbraw/zinc/23/77/00/572237700.db2.gz VLMHOVYKYNKVOL-RKDXNWHRSA-N 2 1 190.262 0.130 10 0 ACAEMP CC[N@@H+](C)CCN1CCC[C@H]([NH2+]C)C1 70585344 572237788 /nfs/dbraw/zinc/23/77/88/572237788.db2.gz NNTABEKHTYVUAJ-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP COCC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 37904720 572237838 /nfs/dbraw/zinc/23/78/38/572237838.db2.gz VJEFDZDJZFBPEW-JTQLQIEISA-N 2 1 198.310 0.707 10 0 ACAEMP C[NH+](C)CCCC[N@@H+]1CCC[C@H]([NH3+])C1 70585978 572237882 /nfs/dbraw/zinc/23/78/82/572237882.db2.gz JJBKVOJGZURMMW-NSHDSACASA-N 3 1 199.342 0.751 10 0 ACAEMP C[NH+](C)CCCC[N@H+]1CCC[C@H]([NH3+])C1 70585978 572237884 /nfs/dbraw/zinc/23/78/84/572237884.db2.gz JJBKVOJGZURMMW-NSHDSACASA-N 3 1 199.342 0.751 10 0 ACAEMP CC(C)[N@@H+](C)CCN1CCC[C@H]([NH3+])C1 70585300 572237900 /nfs/dbraw/zinc/23/79/00/572237900.db2.gz DVHNQLCVAAPQLE-NSHDSACASA-N 2 1 199.342 0.750 10 0 ACAEMP C[NH2+][C@@H]1CCN(CC[N@@H+](C)C2CC2)C1 70585732 572237914 /nfs/dbraw/zinc/23/79/14/572237914.db2.gz MLGOBDQHPRPICG-SNVBAGLBSA-N 2 1 197.326 0.374 10 0 ACAEMP CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH3+] 37913572 572237983 /nfs/dbraw/zinc/23/79/83/572237983.db2.gz GZPXPILPMCLLNE-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[NH2+][C@@H]1CCN(CC[N@@H+](C)CC)C1 70585347 572238081 /nfs/dbraw/zinc/23/80/81/572238081.db2.gz HWLKFFTXCHRQAN-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP OCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 43445706 572238168 /nfs/dbraw/zinc/23/81/68/572238168.db2.gz FRFBEANGGZXSNR-GHMZBOCLSA-N 2 1 198.310 0.585 10 0 ACAEMP OCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 43445706 572238173 /nfs/dbraw/zinc/23/81/73/572238173.db2.gz FRFBEANGGZXSNR-GHMZBOCLSA-N 2 1 198.310 0.585 10 0 ACAEMP CC[N@@H+](C)CCN1CCC[C@H]([NH3+])C1 70585336 572238186 /nfs/dbraw/zinc/23/81/86/572238186.db2.gz TVVTWJOUVHMXRS-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP C[NH+](C)CCCC[N@@H+]1CCC[C@@H]([NH3+])C1 70585979 572238245 /nfs/dbraw/zinc/23/82/45/572238245.db2.gz JJBKVOJGZURMMW-LLVKDONJSA-N 3 1 199.342 0.751 10 0 ACAEMP C[NH+](C)CCCC[N@H+]1CCC[C@@H]([NH3+])C1 70585979 572238248 /nfs/dbraw/zinc/23/82/48/572238248.db2.gz JJBKVOJGZURMMW-LLVKDONJSA-N 3 1 199.342 0.751 10 0 ACAEMP OCC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 37904762 572238376 /nfs/dbraw/zinc/23/83/76/572238376.db2.gz STDYHIFQIVQFLW-SECBINFHSA-N 2 1 184.283 0.053 10 0 ACAEMP CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH2+]C 37913574 572238384 /nfs/dbraw/zinc/23/83/84/572238384.db2.gz QSOAUGDQGSPPJX-NXEZZACHSA-N 2 1 186.299 0.441 10 0 ACAEMP C[N@@H+](CCN1CCC[C@H]([NH3+])C1)C1CC1 70585731 572238889 /nfs/dbraw/zinc/23/88/89/572238889.db2.gz CWXVPSPSWPYUCU-JTQLQIEISA-N 2 1 197.326 0.504 10 0 ACAEMP OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 43444270 572239176 /nfs/dbraw/zinc/23/91/76/572239176.db2.gz UVLUDZSYOAATQN-NXEZZACHSA-N 2 1 184.283 0.195 10 0 ACAEMP OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 43444270 572239178 /nfs/dbraw/zinc/23/91/78/572239178.db2.gz UVLUDZSYOAATQN-NXEZZACHSA-N 2 1 184.283 0.195 10 0 ACAEMP CC(C)(C)C[C@H](O)C[NH2+]CC[NH3+] 393369327 572240995 /nfs/dbraw/zinc/24/09/95/572240995.db2.gz KEZSWABQLPSOSS-QMMMGPOBSA-N 2 1 174.288 0.332 10 0 ACAEMP CC(C)(C)C[C@@H](O)C[NH2+]CC[NH3+] 393369325 572241182 /nfs/dbraw/zinc/24/11/82/572241182.db2.gz KEZSWABQLPSOSS-MRVPVSSYSA-N 2 1 174.288 0.332 10 0 ACAEMP CCC[N@@H+](C)CN1CC[NH2+]CC1 88243113 572241549 /nfs/dbraw/zinc/24/15/49/572241549.db2.gz LBQHBWIULWEPBX-UHFFFAOYSA-N 2 1 171.288 0.191 10 0 ACAEMP CO[C@@H]1C[NH2+][C@@H](C[NH2+][C@H]2CC2(C)C)C1 45137795 572242270 /nfs/dbraw/zinc/24/22/70/572242270.db2.gz WSWAMWBWWVRANJ-UTLUCORTSA-N 2 1 198.310 0.751 10 0 ACAEMP CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 44531503 572243347 /nfs/dbraw/zinc/24/33/47/572243347.db2.gz BZEPGCMMFUDYSV-NXEZZACHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@@H](C[N@@H+]1CC[C@H](C[NH3+])C1)N(C)C 45107898 572242496 /nfs/dbraw/zinc/24/24/96/572242496.db2.gz SVALJLTYEXZYFU-VHSXEESVSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)N(C)C 45107898 572242498 /nfs/dbraw/zinc/24/24/98/572242498.db2.gz SVALJLTYEXZYFU-VHSXEESVSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@H](C[N@@H+]1CC[C@H](C[NH3+])C1)N(C)C 45107899 572242633 /nfs/dbraw/zinc/24/26/33/572242633.db2.gz SVALJLTYEXZYFU-NXEZZACHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)N(C)C 45107899 572242635 /nfs/dbraw/zinc/24/26/35/572242635.db2.gz SVALJLTYEXZYFU-NXEZZACHSA-N 2 1 185.315 0.217 10 0 ACAEMP CCOC[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 44725589 572243072 /nfs/dbraw/zinc/24/30/72/572243072.db2.gz SGCCVKPLHZYXEU-NXEZZACHSA-N 2 1 186.299 0.692 10 0 ACAEMP CCOC[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 44725590 572243322 /nfs/dbraw/zinc/24/33/22/572243322.db2.gz SGCCVKPLHZYXEU-VHSXEESVSA-N 2 1 186.299 0.692 10 0 ACAEMP CO[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CC2(C)C)C1 45137791 572243585 /nfs/dbraw/zinc/24/35/85/572243585.db2.gz WSWAMWBWWVRANJ-GUBZILKMSA-N 2 1 198.310 0.751 10 0 ACAEMP C1CC[C@H]2CC[NH2+]C[C@H]2[NH2+]C1 21376840 572244397 /nfs/dbraw/zinc/24/43/97/572244397.db2.gz ROCPEWXRYVMBAS-DTWKUNHWSA-N 2 1 154.257 0.738 10 0 ACAEMP CCC[N@H+]1CC[C@H](C)[NH2+]C[C@H]1CO 249976664 572244355 /nfs/dbraw/zinc/24/43/55/572244355.db2.gz LONKUPQKYBCQSG-UWVGGRQHSA-N 2 1 186.299 0.441 10 0 ACAEMP C[C@@H]([NH3+])CCC[N@H+]1CCOC[C@H]1C 45599862 572244557 /nfs/dbraw/zinc/24/45/57/572244557.db2.gz CEZWVWDDJOJNLC-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP C1CC[C@H]2CC[NH2+]C[C@@H]2[NH2+]C1 21376832 572244582 /nfs/dbraw/zinc/24/45/82/572244582.db2.gz ROCPEWXRYVMBAS-IUCAKERBSA-N 2 1 154.257 0.738 10 0 ACAEMP C1CC[C@@H]2CC[NH2+]C[C@@H]2[NH2+]C1 21376827 572244667 /nfs/dbraw/zinc/24/46/67/572244667.db2.gz ROCPEWXRYVMBAS-BDAKNGLRSA-N 2 1 154.257 0.738 10 0 ACAEMP C1CC[C@@H]2CC[NH2+]C[C@H]2[NH2+]C1 21376836 572244809 /nfs/dbraw/zinc/24/48/09/572244809.db2.gz ROCPEWXRYVMBAS-RKDXNWHRSA-N 2 1 154.257 0.738 10 0 ACAEMP C[C@@H](O)C(C)(C)[NH2+]C[C@H]1CCC[NH2+]1 235218194 572249121 /nfs/dbraw/zinc/24/91/21/572249121.db2.gz FHKYCBRTBZKWSL-RKDXNWHRSA-N 2 1 186.299 0.487 10 0 ACAEMP CC[C@@H](C[NH3+])[N@H+](C)C1CC1 21369177 572245283 /nfs/dbraw/zinc/24/52/83/572245283.db2.gz ZFUCGZQPYZZVFK-ZETCQYMHSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[C@@H](C[NH3+])[N@@H+](C)C1CC1 21369177 572245285 /nfs/dbraw/zinc/24/52/85/572245285.db2.gz ZFUCGZQPYZZVFK-ZETCQYMHSA-N 2 1 142.246 0.818 10 0 ACAEMP CCC[N@H+]1CC[C@@H](C)[NH2+]C[C@H]1CO 249976670 572245653 /nfs/dbraw/zinc/24/56/53/572245653.db2.gz LONKUPQKYBCQSG-ZJUUUORDSA-N 2 1 186.299 0.441 10 0 ACAEMP C[C@H](CC[NH3+])[N@@H+](C)C1CC1 21399743 572245666 /nfs/dbraw/zinc/24/56/66/572245666.db2.gz OTQPFRKWMVJKHR-SSDOTTSWSA-N 2 1 142.246 0.818 10 0 ACAEMP C[C@@H](CC[NH+](C)C)[N@@H+]1CC[C@H](C[NH3+])C1 49557931 572249325 /nfs/dbraw/zinc/24/93/25/572249325.db2.gz AGXBZVSFKXYMQV-WDEREUQCSA-N 3 1 199.342 0.607 10 0 ACAEMP C[C@@H]([NH3+])CCC[N@H+]1CCO[C@H](C)C1 45598742 572246099 /nfs/dbraw/zinc/24/60/99/572246099.db2.gz AJRWZYDIAMGGGG-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@H](C[NH3+])[N@H+](C)C1CC1 21369181 572246275 /nfs/dbraw/zinc/24/62/75/572246275.db2.gz ZFUCGZQPYZZVFK-SSDOTTSWSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[C@H](C[NH3+])[N@@H+](C)C1CC1 21369181 572246277 /nfs/dbraw/zinc/24/62/77/572246277.db2.gz ZFUCGZQPYZZVFK-SSDOTTSWSA-N 2 1 142.246 0.818 10 0 ACAEMP Cc1nccnc1[C@@H](C)[NH2+]CCC[NH3+] 235215033 572248136 /nfs/dbraw/zinc/24/81/36/572248136.db2.gz NJLCXOXHTOQPHI-MRVPVSSYSA-N 2 1 194.282 0.784 10 0 ACAEMP C[C@H]([NH3+])CC[N@@H+](C)C[C@]12COC[C@H]1C2 689305341 572248491 /nfs/dbraw/zinc/24/84/91/572248491.db2.gz LGIXJXGKVOHPPW-HBNTYKKESA-N 2 1 198.310 0.692 10 0 ACAEMP C[C@H]([NH3+])CC[N@@H+](C)C[C@@]12COC[C@@H]1C2 689305336 572248513 /nfs/dbraw/zinc/24/85/13/572248513.db2.gz LGIXJXGKVOHPPW-DCAQKATOSA-N 2 1 198.310 0.692 10 0 ACAEMP NC(=[NH2+])CCCC[N@H+]1CCC[C@H](O)C1 49579798 572249096 /nfs/dbraw/zinc/24/90/96/572249096.db2.gz ANPGZMPWEYLWRI-VIFPVBQESA-N 2 1 199.298 0.549 10 0 ACAEMP C[C@@H](CC[NH+](C)C)[N@H+]1CC[C@H](C[NH3+])C1 49557931 572249329 /nfs/dbraw/zinc/24/93/29/572249329.db2.gz AGXBZVSFKXYMQV-WDEREUQCSA-N 3 1 199.342 0.607 10 0 ACAEMP COCC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 49565349 572249363 /nfs/dbraw/zinc/24/93/63/572249363.db2.gz CWTYCDWVZKRSBM-GHMZBOCLSA-N 2 1 198.310 0.849 10 0 ACAEMP COCC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 49565349 572249365 /nfs/dbraw/zinc/24/93/65/572249365.db2.gz CWTYCDWVZKRSBM-GHMZBOCLSA-N 2 1 198.310 0.849 10 0 ACAEMP C[NH2+][C@H]1CC[N@@H+](CCOC)[C@H](C)C1 49709713 572249512 /nfs/dbraw/zinc/24/95/12/572249512.db2.gz KXXYNWWLAOIIDJ-ZJUUUORDSA-N 2 1 186.299 0.705 10 0 ACAEMP C[NH2+][C@@H]1CC[N@@H+](CCOC)[C@H](C)C1 49709707 572249808 /nfs/dbraw/zinc/24/98/08/572249808.db2.gz KXXYNWWLAOIIDJ-NXEZZACHSA-N 2 1 186.299 0.705 10 0 ACAEMP C[C@H](CC[NH+](C)C)[N@@H+]1CC[C@H](C[NH3+])C1 49557932 572250059 /nfs/dbraw/zinc/25/00/59/572250059.db2.gz AGXBZVSFKXYMQV-GHMZBOCLSA-N 3 1 199.342 0.607 10 0 ACAEMP COCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 49567318 572249987 /nfs/dbraw/zinc/24/99/87/572249987.db2.gz QEKUMFUQAXIRSR-GHMZBOCLSA-N 2 1 198.310 0.849 10 0 ACAEMP COCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 49567318 572249989 /nfs/dbraw/zinc/24/99/89/572249989.db2.gz QEKUMFUQAXIRSR-GHMZBOCLSA-N 2 1 198.310 0.849 10 0 ACAEMP NC(=[NH2+])CCCC[N@H+]1CCC[C@H]1CO 49579771 572250047 /nfs/dbraw/zinc/25/00/47/572250047.db2.gz JNBRZVSWJHAMOG-VIFPVBQESA-N 2 1 199.298 0.549 10 0 ACAEMP C[C@H](CC[NH+](C)C)[N@H+]1CC[C@H](C[NH3+])C1 49557932 572250061 /nfs/dbraw/zinc/25/00/61/572250061.db2.gz AGXBZVSFKXYMQV-GHMZBOCLSA-N 3 1 199.342 0.607 10 0 ACAEMP COCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 49565350 572250120 /nfs/dbraw/zinc/25/01/20/572250120.db2.gz CWTYCDWVZKRSBM-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP COCC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 49565350 572250122 /nfs/dbraw/zinc/25/01/22/572250122.db2.gz CWTYCDWVZKRSBM-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP COCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 49567320 572250216 /nfs/dbraw/zinc/25/02/16/572250216.db2.gz QEKUMFUQAXIRSR-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP COCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 49567320 572250218 /nfs/dbraw/zinc/25/02/18/572250218.db2.gz QEKUMFUQAXIRSR-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP C[NH+](C)CCN[C@H]1CC[N@H+]2CCC[C@H]12 49568230 572250284 /nfs/dbraw/zinc/25/02/84/572250284.db2.gz YDUUCKJVOHMLDT-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP C[NH+](C)CCN[C@H]1CC[N@@H+]2CCC[C@H]12 49568230 572250283 /nfs/dbraw/zinc/25/02/83/572250283.db2.gz YDUUCKJVOHMLDT-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP C[NH+](C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]12 49568229 572250425 /nfs/dbraw/zinc/25/04/25/572250425.db2.gz YDUUCKJVOHMLDT-GHMZBOCLSA-N 2 1 197.326 0.374 10 0 ACAEMP C[NH+](C)CCN[C@@H]1CC[N@H+]2CCC[C@H]12 49568229 572250427 /nfs/dbraw/zinc/25/04/27/572250427.db2.gz YDUUCKJVOHMLDT-GHMZBOCLSA-N 2 1 197.326 0.374 10 0 ACAEMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 234966283 572326874 /nfs/dbraw/zinc/32/68/74/572326874.db2.gz VJHCXWXJTUJUGK-IVZWLZJFSA-N 2 1 184.283 0.505 10 0 ACAEMP CC1(C)CCC[C@@]1(C[NH3+])[NH2+]CCO 86865923 572327998 /nfs/dbraw/zinc/32/79/98/572327998.db2.gz AFZSRUDXHPHJDD-JTQLQIEISA-N 2 1 186.299 0.476 10 0 ACAEMP COCC[N@@H+](C)CCC1([NH3+])CCC1 86853931 572328373 /nfs/dbraw/zinc/32/83/73/572328373.db2.gz NHSCHPWCYOZBRV-UHFFFAOYSA-N 2 1 186.299 0.836 10 0 ACAEMP CC1(C)CCC[C@]1(C[NH3+])[NH2+]CCO 86865924 572329016 /nfs/dbraw/zinc/32/90/16/572329016.db2.gz AFZSRUDXHPHJDD-SNVBAGLBSA-N 2 1 186.299 0.476 10 0 ACAEMP C[C@H]1C[N@@H+](CCCCO)CC[C@@H]1[NH3+] 86887018 572329216 /nfs/dbraw/zinc/32/92/16/572329216.db2.gz MZJNPPDLNADLOP-UWVGGRQHSA-N 2 1 186.299 0.428 10 0 ACAEMP CC(C)C[C@@H](C[NH+](C)C)NC(N)=[NH2+] 52035661 572330319 /nfs/dbraw/zinc/33/03/19/572330319.db2.gz KCNQNLLQITUAIY-QMMMGPOBSA-N 2 1 186.303 0.446 10 0 ACAEMP C[C@@H]1C[N@@H+](CCCCO)CC[C@@H]1[NH3+] 86887016 572331544 /nfs/dbraw/zinc/33/15/44/572331544.db2.gz MZJNPPDLNADLOP-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP COC1CC([NH2+][C@@H](C)C[NH3+])C1 234670154 572331564 /nfs/dbraw/zinc/33/15/64/572331564.db2.gz URCINCGZIOJVKD-KKMMWDRVSA-N 2 1 158.245 0.101 10 0 ACAEMP COC1CC([NH2+][C@H](C)C[NH3+])C1 234671051 572331864 /nfs/dbraw/zinc/33/18/64/572331864.db2.gz URCINCGZIOJVKD-JECWYVHBSA-N 2 1 158.245 0.101 10 0 ACAEMP COC[C@@](C)(C[NH3+])[N@@H+]1CCC2(CC2)C1 400039512 572332169 /nfs/dbraw/zinc/33/21/69/572332169.db2.gz MFUJQWLGIKAWJD-SNVBAGLBSA-N 2 1 198.310 0.836 10 0 ACAEMP COC[C@@](C)(C[NH3+])[N@H+]1CCC2(CC2)C1 400039512 572332176 /nfs/dbraw/zinc/33/21/76/572332176.db2.gz MFUJQWLGIKAWJD-SNVBAGLBSA-N 2 1 198.310 0.836 10 0 ACAEMP CCOCCC[N@@H+](C)CCC(N)=[NH2+] 83551510 572332627 /nfs/dbraw/zinc/33/26/27/572332627.db2.gz VNFPRGXNKFFHOL-UHFFFAOYSA-N 2 1 187.287 0.671 10 0 ACAEMP COC[C@](C)(C[NH3+])[N@@H+]1CCC2(CC2)C1 400039511 572332744 /nfs/dbraw/zinc/33/27/44/572332744.db2.gz MFUJQWLGIKAWJD-JTQLQIEISA-N 2 1 198.310 0.836 10 0 ACAEMP COC[C@](C)(C[NH3+])[N@H+]1CCC2(CC2)C1 400039511 572332748 /nfs/dbraw/zinc/33/27/48/572332748.db2.gz MFUJQWLGIKAWJD-JTQLQIEISA-N 2 1 198.310 0.836 10 0 ACAEMP [NH3+]C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3C[C@H]3C2)CO1 713834956 572333050 /nfs/dbraw/zinc/33/30/50/572333050.db2.gz OOIQKUWETCVFGT-ZNSHCXBVSA-N 2 1 196.294 0.302 10 0 ACAEMP CCCC[C@H](CO)[N@@H+]1CC[C@@H]([NH3+])C1 238213301 572338939 /nfs/dbraw/zinc/33/89/39/572338939.db2.gz OCBXGTCYAOXHOY-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP CCCC[C@H](CO)[N@H+]1CC[C@@H]([NH3+])C1 238213301 572338944 /nfs/dbraw/zinc/33/89/44/572338944.db2.gz OCBXGTCYAOXHOY-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP CC[NH2+]CC[NH2+][C@H]1C[C@@H]1C 52294181 572339649 /nfs/dbraw/zinc/33/96/49/572339649.db2.gz NKDBPYAAMNOERH-YUMQZZPRSA-N 2 1 142.246 0.594 10 0 ACAEMP CC[NH2+]CC[NH2+][C@H]1C[C@H]1C 52294186 572340171 /nfs/dbraw/zinc/34/01/71/572340171.db2.gz NKDBPYAAMNOERH-SFYZADRCSA-N 2 1 142.246 0.594 10 0 ACAEMP C[NH2+]C[C@@H]1CCC[C@@]2(CC[N@@H+](C)C2)O1 686235559 572340433 /nfs/dbraw/zinc/34/04/33/572340433.db2.gz SEVPYLPRCDRUOC-QWRGUYRKSA-N 2 1 198.310 0.849 10 0 ACAEMP CC(C)[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] 238212703 572340774 /nfs/dbraw/zinc/34/07/74/572340774.db2.gz WXOYYFDCTYYXKV-NXEZZACHSA-N 2 1 186.299 0.426 10 0 ACAEMP CC(C)[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] 238212703 572340777 /nfs/dbraw/zinc/34/07/77/572340777.db2.gz WXOYYFDCTYYXKV-NXEZZACHSA-N 2 1 186.299 0.426 10 0 ACAEMP C[NH2+]C[C@@H]1CCC[C@]2(CC[N@@H+](C)C2)O1 686235569 572341284 /nfs/dbraw/zinc/34/12/84/572341284.db2.gz SEVPYLPRCDRUOC-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP CC[NH2+]CC[NH2+][C@@H]1C[C@H]1C 52294184 572341408 /nfs/dbraw/zinc/34/14/08/572341408.db2.gz NKDBPYAAMNOERH-HTQZYQBOSA-N 2 1 142.246 0.594 10 0 ACAEMP C[NH2+]C[C@H]1CCC[C@@]2(CC[N@@H+](C)C2)O1 686235555 572342085 /nfs/dbraw/zinc/34/20/85/572342085.db2.gz SEVPYLPRCDRUOC-MNOVXSKESA-N 2 1 198.310 0.849 10 0 ACAEMP C[NH2+]C[C@H]1CCC[C@]2(CC[N@@H+](C)C2)O1 686235553 572341736 /nfs/dbraw/zinc/34/17/36/572341736.db2.gz SEVPYLPRCDRUOC-GHMZBOCLSA-N 2 1 198.310 0.849 10 0 ACAEMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H]1C 52294178 572342621 /nfs/dbraw/zinc/34/26/21/572342621.db2.gz NKDBPYAAMNOERH-JGVFFNPUSA-N 2 1 142.246 0.594 10 0 ACAEMP C[C@H]1C[C@H]1[NH2+]CC[NH2+]CC1CC1 52294545 572342681 /nfs/dbraw/zinc/34/26/81/572342681.db2.gz KVAPEDUHVGJHAL-WCBMZHEXSA-N 2 1 168.284 0.984 10 0 ACAEMP CC[C@H](C[NH3+])C[NH+]1CCN(CC)CC1 83606581 572343048 /nfs/dbraw/zinc/34/30/48/572343048.db2.gz GGOVRBUZUCMDKV-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP CCCn1c[nH+]cc1CC[NH3+] 60312270 572343071 /nfs/dbraw/zinc/34/30/71/572343071.db2.gz FQKFRLYNOHIWEK-UHFFFAOYSA-N 2 1 153.229 0.794 10 0 ACAEMP 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PFQKXQKPSBVTNP-NSHDSACASA-N 2 1 199.342 0.609 10 0 ACAEMP CC[C@H](C[NH3+])C[N@@H+](CC)CCOC 83607911 572345218 /nfs/dbraw/zinc/34/52/18/572345218.db2.gz HHXSVPFRQRVXAP-SNVBAGLBSA-N 2 1 188.315 0.940 10 0 ACAEMP CC[C@H](C[NH3+])C[N@@H+](C)CCOC 83607694 572345316 /nfs/dbraw/zinc/34/53/16/572345316.db2.gz IORMROUUIYKTNO-SECBINFHSA-N 2 1 174.288 0.550 10 0 ACAEMP CCC[C@H](C[NH3+])C[NH+]1CCN(C)CC1 83606311 572345630 /nfs/dbraw/zinc/34/56/30/572345630.db2.gz PFQKXQKPSBVTNP-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP COCC[N@@H+](C)C[C@@H](C[NH3+])C(C)C 83607699 572345743 /nfs/dbraw/zinc/34/57/43/572345743.db2.gz BJUKBSSCIHMNBS-SNVBAGLBSA-N 2 1 188.315 0.796 10 0 ACAEMP CC[C@@H](C[NH3+])C[NH+]1CCOCC1 83606278 572345766 /nfs/dbraw/zinc/34/57/66/572345766.db2.gz QNUWUPCLVYKUNY-VIFPVBQESA-N 2 1 172.272 0.304 10 0 ACAEMP CC(C)[C@H](C[NH3+])C[NH+]1CCOCC1 83606285 572345946 /nfs/dbraw/zinc/34/59/46/572345946.db2.gz ACFXBAIJDLOQQO-SNVBAGLBSA-N 2 1 186.299 0.550 10 0 ACAEMP 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186.299 0.300 10 0 ACAEMP CC(C)[C@H](C[NH3+])CN1CC[NH+](C)CC1 83606319 572347047 /nfs/dbraw/zinc/34/70/47/572347047.db2.gz UOFWCZYBPPIRHG-LLVKDONJSA-N 2 1 199.342 0.465 10 0 ACAEMP COC1CC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 234694379 572347490 /nfs/dbraw/zinc/34/74/90/572347490.db2.gz FBENITHBLHCENN-IXBNRNDTSA-N 2 1 196.294 0.315 10 0 ACAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](CCO)C1 76470325 572347110 /nfs/dbraw/zinc/34/71/10/572347110.db2.gz XZYJSKAGDIHGQE-JTQLQIEISA-N 2 1 186.299 0.299 10 0 ACAEMP CC(C)[C@@H](C[NH3+])CN1CC[NH+](C)CC1 83606317 572347117 /nfs/dbraw/zinc/34/71/17/572347117.db2.gz UOFWCZYBPPIRHG-NSHDSACASA-N 2 1 199.342 0.465 10 0 ACAEMP CCC[NH2+]C[C@H]1CC[N@@H+](CCO)C1 76470213 572347405 /nfs/dbraw/zinc/34/74/05/572347405.db2.gz KHRUMHKZNDKFAV-SNVBAGLBSA-N 2 1 186.299 0.300 10 0 ACAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](CCO)C1 76470328 572347514 /nfs/dbraw/zinc/34/75/14/572347514.db2.gz XZYJSKAGDIHGQE-SNVBAGLBSA-N 2 1 186.299 0.299 10 0 ACAEMP 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/nfs/dbraw/zinc/36/49/21/572364921.db2.gz SRDDJVGCEHLIGW-SECBINFHSA-N 2 1 188.315 0.817 10 0 ACAEMP CCC[N@@H+](C[C@H](C)O)C(C)(C)C[NH3+] 83676664 572364942 /nfs/dbraw/zinc/36/49/42/572364942.db2.gz LSPTVKDKXASMGD-VIFPVBQESA-N 2 1 188.315 0.817 10 0 ACAEMP CCC[N@@H+](CCC[NH3+])C[C@H](C)O 83676366 572365249 /nfs/dbraw/zinc/36/52/49/572365249.db2.gz LHCJADWOFFPNHM-VIFPVBQESA-N 2 1 174.288 0.428 10 0 ACAEMP CCC[N@@H+](C[C@@H](C)O)C(C)(C)C[NH3+] 83676662 572365545 /nfs/dbraw/zinc/36/55/45/572365545.db2.gz LSPTVKDKXASMGD-SECBINFHSA-N 2 1 188.315 0.817 10 0 ACAEMP CC[N@@H+](CCC[NH3+])C[C@H](C)O 83676355 572365778 /nfs/dbraw/zinc/36/57/78/572365778.db2.gz YOVIJYUINMCXHC-QMMMGPOBSA-N 2 1 160.261 0.038 10 0 ACAEMP CC[N@@H+](C[C@H](C)O)C(C)(C)C[NH3+] 83676660 572365839 /nfs/dbraw/zinc/36/58/39/572365839.db2.gz FZWIBWNUBBQVHD-QMMMGPOBSA-N 2 1 174.288 0.426 10 0 ACAEMP CC(C)C[N@@H+](CCC[NH3+])C[C@@H](C)O 83676559 572365874 /nfs/dbraw/zinc/36/58/74/572365874.db2.gz JYHQQUDWQRBDFF-SNVBAGLBSA-N 2 1 188.315 0.674 10 0 ACAEMP CC(C)[N@H+](CC[NH3+])C[C@H](C)O 83676531 572365915 /nfs/dbraw/zinc/36/59/15/572365915.db2.gz OHLGKAGAKQGMBN-QMMMGPOBSA-N 2 1 160.261 0.036 10 0 ACAEMP CC(C)[N@@H+](CC[NH3+])C[C@H](C)O 83676531 572365919 /nfs/dbraw/zinc/36/59/19/572365919.db2.gz OHLGKAGAKQGMBN-QMMMGPOBSA-N 2 1 160.261 0.036 10 0 ACAEMP CC[N@@H+](C[C@@H](C)O)C(C)(C)C[NH3+] 83676659 572366204 /nfs/dbraw/zinc/36/62/04/572366204.db2.gz FZWIBWNUBBQVHD-MRVPVSSYSA-N 2 1 174.288 0.426 10 0 ACAEMP CC(C)[N@H+](CC[NH3+])C[C@@H](C)O 83676529 572366254 /nfs/dbraw/zinc/36/62/54/572366254.db2.gz OHLGKAGAKQGMBN-MRVPVSSYSA-N 2 1 160.261 0.036 10 0 ACAEMP CC(C)[N@@H+](CC[NH3+])C[C@@H](C)O 83676529 572366255 /nfs/dbraw/zinc/36/62/55/572366255.db2.gz OHLGKAGAKQGMBN-MRVPVSSYSA-N 2 1 160.261 0.036 10 0 ACAEMP C[C@@H]1CC[N@H+](C)[C@H]2C[NH2+]CC[C@H]12 76597063 572372265 /nfs/dbraw/zinc/37/22/65/572372265.db2.gz NYVFPJYSMGCGAF-BBBLOLIVSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@H](O)C[N@H+](CC[NH3+])C1CCCC1 83676738 572366371 /nfs/dbraw/zinc/36/63/71/572366371.db2.gz VFYIPWPTHYJGLW-VIFPVBQESA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@H](O)C[N@@H+](CC[NH3+])C1CCCC1 83676738 572366373 /nfs/dbraw/zinc/36/63/73/572366373.db2.gz VFYIPWPTHYJGLW-VIFPVBQESA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@H]1CC[N@@H+](C)[C@H]2C[NH2+]CC[C@H]12 76597063 572372270 /nfs/dbraw/zinc/37/22/70/572372270.db2.gz NYVFPJYSMGCGAF-BBBLOLIVSA-N 2 1 168.284 0.936 10 0 ACAEMP CCC[N@H+](CC[NH3+])C[C@@H](C)O 83676533 572366470 /nfs/dbraw/zinc/36/64/70/572366470.db2.gz CLZDRZKECZECKN-MRVPVSSYSA-N 2 1 160.261 0.038 10 0 ACAEMP CCC[N@@H+](CC[NH3+])C[C@@H](C)O 83676533 572366474 /nfs/dbraw/zinc/36/64/74/572366474.db2.gz CLZDRZKECZECKN-MRVPVSSYSA-N 2 1 160.261 0.038 10 0 ACAEMP CC[N@@H+](CCC[NH3+])C[C@@H](C)O 83676353 572366764 /nfs/dbraw/zinc/36/67/64/572366764.db2.gz YOVIJYUINMCXHC-MRVPVSSYSA-N 2 1 160.261 0.038 10 0 ACAEMP CC[N@@H+](C[C@@H](C)O)[C@](C)(CC)C[NH3+] 83676681 572366890 /nfs/dbraw/zinc/36/68/90/572366890.db2.gz YKDXFPJRNHBHJE-NXEZZACHSA-N 2 1 188.315 0.817 10 0 ACAEMP C[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCCC1 83676634 572366936 /nfs/dbraw/zinc/36/69/36/572366936.db2.gz UCIRAVZJXLNXJE-SECBINFHSA-N 2 1 186.299 0.571 10 0 ACAEMP CCC[N@@H+](C)CCO[C@H](C)C[NH3+] 308000305 572367381 /nfs/dbraw/zinc/36/73/81/572367381.db2.gz GTBWCZSOGNSDJK-SECBINFHSA-N 2 1 174.288 0.692 10 0 ACAEMP CC(C)C[N@@H+](CCC[NH3+])C[C@H](C)O 83676561 572367443 /nfs/dbraw/zinc/36/74/43/572367443.db2.gz JYHQQUDWQRBDFF-JTQLQIEISA-N 2 1 188.315 0.674 10 0 ACAEMP CC[N@@H+](C[C@@H](C)O)[C@@](C)(CC)C[NH3+] 83676678 572367612 /nfs/dbraw/zinc/36/76/12/572367612.db2.gz YKDXFPJRNHBHJE-ZJUUUORDSA-N 2 1 188.315 0.817 10 0 ACAEMP CC[C@](C)(C[NH3+])[N@@H+](C)C[C@@H](C)O 83676672 572367796 /nfs/dbraw/zinc/36/77/96/572367796.db2.gz GNGOPYRIRRGDIR-RKDXNWHRSA-N 2 1 174.288 0.426 10 0 ACAEMP CC[N@@H+](C[C@@H](C)O)C[C@H](C)C[NH3+] 83676550 572367867 /nfs/dbraw/zinc/36/78/67/572367867.db2.gz XALAZNBTKXUWKP-RKDXNWHRSA-N 2 1 174.288 0.284 10 0 ACAEMP CC[C@@](C)(C[NH3+])[N@@H+](C)C[C@@H](C)O 83676670 572367966 /nfs/dbraw/zinc/36/79/66/572367966.db2.gz GNGOPYRIRRGDIR-BDAKNGLRSA-N 2 1 174.288 0.426 10 0 ACAEMP CC[N@H+](C[C@@H](C)C[NH3+])C[C@@H](C)O 83676548 572368033 /nfs/dbraw/zinc/36/80/33/572368033.db2.gz XALAZNBTKXUWKP-DTWKUNHWSA-N 2 1 174.288 0.284 10 0 ACAEMP CCC[N@@H+](CCC[NH3+])C[C@@H](C)O 83676364 572368078 /nfs/dbraw/zinc/36/80/78/572368078.db2.gz LHCJADWOFFPNHM-SECBINFHSA-N 2 1 174.288 0.428 10 0 ACAEMP Cn1cc2c(c1C[NH3+])C[N@@H+](C)C2 76595261 572368270 /nfs/dbraw/zinc/36/82/70/572368270.db2.gz WBVSXPDEMVWXDO-UHFFFAOYSA-N 2 1 165.240 0.429 10 0 ACAEMP Cn1cc2c(c1C[NH3+])C[N@H+](C)C2 76595261 572368272 /nfs/dbraw/zinc/36/82/72/572368272.db2.gz WBVSXPDEMVWXDO-UHFFFAOYSA-N 2 1 165.240 0.429 10 0 ACAEMP C[N@H+]1C[C@H]2[C@@H](C1)C21CC[NH2+]CC1 76595705 572368438 /nfs/dbraw/zinc/36/84/38/572368438.db2.gz PZAKKTBAEPFNOF-DTORHVGOSA-N 2 1 166.268 0.548 10 0 ACAEMP CCN1CC(C)(C)[N@@H+](C)C[C@H]1C[NH3+] 250318010 572374279 /nfs/dbraw/zinc/37/42/79/572374279.db2.gz MRNXBNVMSUIADX-SECBINFHSA-N 2 1 185.315 0.360 10 0 ACAEMP CCC[N@@H+](C)CCO[C@@H](C)C[NH3+] 308000307 572368488 /nfs/dbraw/zinc/36/84/88/572368488.db2.gz GTBWCZSOGNSDJK-VIFPVBQESA-N 2 1 174.288 0.692 10 0 ACAEMP C[N@H+]1CCC[C@@H]1CCOCCC[NH3+] 52673259 572376676 /nfs/dbraw/zinc/37/66/76/572376676.db2.gz AHPXSFQSWXCKLP-SNVBAGLBSA-N 2 1 186.299 0.836 10 0 ACAEMP CC(C)[N@@H+](C)CCCOCC[NH3+] 307994676 572370858 /nfs/dbraw/zinc/37/08/58/572370858.db2.gz AOPSROUMJJBXBR-UHFFFAOYSA-N 2 1 174.288 0.692 10 0 ACAEMP CCN1C[C@@H](C)[N@@H+](C)C[C@H]1CC[NH3+] 250318211 572372787 /nfs/dbraw/zinc/37/27/87/572372787.db2.gz MTFJTDSOCUUVQY-NXEZZACHSA-N 2 1 185.315 0.360 10 0 ACAEMP C[N@H+]1CC[C@@H]2C[C@H](C[NH3+])C[C@@H]2C1 76596952 572372987 /nfs/dbraw/zinc/37/29/87/572372987.db2.gz OLFJGVGKZBVVRW-IVZWLZJFSA-N 2 1 168.284 0.923 10 0 ACAEMP CCN1C[C@H](C)[N@@H+](C)C[C@H]1CC[NH3+] 250318213 572375490 /nfs/dbraw/zinc/37/54/90/572375490.db2.gz MTFJTDSOCUUVQY-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@@H]1[C@@H](CC[NH3+])C(=O)CC[N@H+]1C 76598133 572375848 /nfs/dbraw/zinc/37/58/48/572375848.db2.gz VALGZMLLCXXJIT-HTQZYQBOSA-N 2 1 170.256 0.245 10 0 ACAEMP [NH3+]CCC[N@H+]1CCC[C@@H]1CCO 307995560 572375982 /nfs/dbraw/zinc/37/59/82/572375982.db2.gz BTTPGTRUBLZQEY-SECBINFHSA-N 2 1 172.272 0.182 10 0 ACAEMP C[C@@H]1CC(=O)[C@@H](CC[NH3+])C[N@H+]1C 76598126 572376764 /nfs/dbraw/zinc/37/67/64/572376764.db2.gz OABCCKADWQROPO-SFYZADRCSA-N 2 1 170.256 0.245 10 0 ACAEMP [NH3+]CCC[N@H+]1CCC[C@H]1CCO 307995561 572376105 /nfs/dbraw/zinc/37/61/05/572376105.db2.gz BTTPGTRUBLZQEY-VIFPVBQESA-N 2 1 172.272 0.182 10 0 ACAEMP C[N@@H+]1CCC(=O)[C@@H](CC[NH3+])CC1 76598118 572376480 /nfs/dbraw/zinc/37/64/80/572376480.db2.gz FWLQOFZZOCOQEQ-QMMMGPOBSA-N 2 1 170.256 0.246 10 0 ACAEMP Cc1[nH+]c[nH]c1C[C@H](C)C[NH3+] 196777426 572376849 /nfs/dbraw/zinc/37/68/49/572376849.db2.gz DRPZPIOJHBREKH-LURJTMIESA-N 2 1 153.229 0.855 10 0 ACAEMP Cc1[nH]c[nH+]c1C[C@H](C)C[NH3+] 196777426 572376851 /nfs/dbraw/zinc/37/68/51/572376851.db2.gz DRPZPIOJHBREKH-LURJTMIESA-N 2 1 153.229 0.855 10 0 ACAEMP C[C@H]1[C@@H](CC[NH3+])C(=O)CC[N@H+]1C 76598134 572376958 /nfs/dbraw/zinc/37/69/58/572376958.db2.gz VALGZMLLCXXJIT-JGVFFNPUSA-N 2 1 170.256 0.245 10 0 ACAEMP C[C@H]1[C@H](CC[NH3+])C(=O)CC[N@H+]1C 76598130 572377441 /nfs/dbraw/zinc/37/74/41/572377441.db2.gz VALGZMLLCXXJIT-YUMQZZPRSA-N 2 1 170.256 0.245 10 0 ACAEMP C[C@@H]1[C@H](CC[NH3+])C(=O)CC[N@H+]1C 76598129 572377465 /nfs/dbraw/zinc/37/74/65/572377465.db2.gz VALGZMLLCXXJIT-SFYZADRCSA-N 2 1 170.256 0.245 10 0 ACAEMP C[C@H]1CC(=O)[C@H](CC[NH3+])C[N@H+]1C 76598124 572377793 /nfs/dbraw/zinc/37/77/93/572377793.db2.gz OABCCKADWQROPO-JGVFFNPUSA-N 2 1 170.256 0.245 10 0 ACAEMP CC[N@H+]([C@@H](C)[C@@H](C)O)[C@@H]1CC[NH2+]C1 87140668 572377994 /nfs/dbraw/zinc/37/79/94/572377994.db2.gz UUTKSDRYZHYNTI-IVZWLZJFSA-N 2 1 186.299 0.440 10 0 ACAEMP CC[N@@H+]([C@@H](C)[C@@H](C)O)[C@@H]1CC[NH2+]C1 87140668 572377996 /nfs/dbraw/zinc/37/79/96/572377996.db2.gz UUTKSDRYZHYNTI-IVZWLZJFSA-N 2 1 186.299 0.440 10 0 ACAEMP Cc1[nH+]c[nH]c1C[C@@H](C)C[NH3+] 196777413 572378072 /nfs/dbraw/zinc/37/80/72/572378072.db2.gz DRPZPIOJHBREKH-ZCFIWIBFSA-N 2 1 153.229 0.855 10 0 ACAEMP Cc1[nH]c[nH+]c1C[C@@H](C)C[NH3+] 196777413 572378077 /nfs/dbraw/zinc/37/80/77/572378077.db2.gz DRPZPIOJHBREKH-ZCFIWIBFSA-N 2 1 153.229 0.855 10 0 ACAEMP C[N@@H+]1CCC(=O)[C@H](CC[NH3+])CC1 76598120 572378435 /nfs/dbraw/zinc/37/84/35/572378435.db2.gz FWLQOFZZOCOQEQ-MRVPVSSYSA-N 2 1 170.256 0.246 10 0 ACAEMP C[C@H]1CC(=O)[C@@H](CC[NH3+])C[N@H+]1C 76598127 572378641 /nfs/dbraw/zinc/37/86/41/572378641.db2.gz OABCCKADWQROPO-YUMQZZPRSA-N 2 1 170.256 0.245 10 0 ACAEMP C[N@H+]1CCCC(=O)[C@@H](CC[NH3+])C1 76598117 572378732 /nfs/dbraw/zinc/37/87/32/572378732.db2.gz XOIBOWIEQRUDCK-QMMMGPOBSA-N 2 1 170.256 0.246 10 0 ACAEMP C[C@@H]1CC(=O)[C@H](CC[NH3+])C[N@H+]1C 76598122 572378828 /nfs/dbraw/zinc/37/88/28/572378828.db2.gz OABCCKADWQROPO-HTQZYQBOSA-N 2 1 170.256 0.245 10 0 ACAEMP C[N@H+](Cc1cc[nH+]c(NN)c1)C1CC1 52724898 572379744 /nfs/dbraw/zinc/37/97/44/572379744.db2.gz ZPTZIKFZGYMSRC-UHFFFAOYSA-N 2 1 192.266 0.961 10 0 ACAEMP C[N@@H+](Cc1cc[nH+]c(NN)c1)C1CC1 52724898 572379745 /nfs/dbraw/zinc/37/97/45/572379745.db2.gz ZPTZIKFZGYMSRC-UHFFFAOYSA-N 2 1 192.266 0.961 10 0 ACAEMP CCC(CC)[N@H+]1CCO[C@H](C[NH3+])C1 87157006 572380016 /nfs/dbraw/zinc/38/00/16/572380016.db2.gz WYFRMPDAUOBBHO-SNVBAGLBSA-N 2 1 186.299 0.835 10 0 ACAEMP CCC(CC)[N@@H+]1CCO[C@H](C[NH3+])C1 87157006 572380009 /nfs/dbraw/zinc/38/00/09/572380009.db2.gz WYFRMPDAUOBBHO-SNVBAGLBSA-N 2 1 186.299 0.835 10 0 ACAEMP FCC[NH2+]CC[C@H]1CSCC[NH2+]1 308005398 572380180 /nfs/dbraw/zinc/38/01/80/572380180.db2.gz LFEARFFUAAECAS-QMMMGPOBSA-N 2 1 192.303 0.641 10 0 ACAEMP C[N@H+]1CCCC[C@@H](C(=O)CN)C1 76598194 572380328 /nfs/dbraw/zinc/38/03/28/572380328.db2.gz MWPCSMWEUNSNAJ-MRVPVSSYSA-N 2 1 170.256 0.246 10 0 ACAEMP C[N@@H+]1CCCC[C@@H](C(=O)C[NH3+])C1 76598194 572380331 /nfs/dbraw/zinc/38/03/31/572380331.db2.gz MWPCSMWEUNSNAJ-MRVPVSSYSA-N 2 1 170.256 0.246 10 0 ACAEMP C[N@H+]1CCCC[C@@H](C(=O)C[NH3+])C1 76598194 572380336 /nfs/dbraw/zinc/38/03/36/572380336.db2.gz MWPCSMWEUNSNAJ-MRVPVSSYSA-N 2 1 170.256 0.246 10 0 ACAEMP CCC(CC)[NH2+]C[C@H]([NH3+])[C@H](C)O 87156985 572380352 /nfs/dbraw/zinc/38/03/52/572380352.db2.gz HIVFRGZRNBURRH-CBAPKCEASA-N 2 1 174.288 0.473 10 0 ACAEMP FCC[NH2+]CC[C@@H]1CSCC[NH2+]1 308005397 572380483 /nfs/dbraw/zinc/38/04/83/572380483.db2.gz LFEARFFUAAECAS-MRVPVSSYSA-N 2 1 192.303 0.641 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1CC(=O)CN 76598217 572380566 /nfs/dbraw/zinc/38/05/66/572380566.db2.gz GFKYCYASVVKRPP-MRVPVSSYSA-N 2 1 170.256 0.389 10 0 ACAEMP C[N@@H+]1CCCC[C@@H]1CC(=O)C[NH3+] 76598217 572380570 /nfs/dbraw/zinc/38/05/70/572380570.db2.gz GFKYCYASVVKRPP-MRVPVSSYSA-N 2 1 170.256 0.389 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1CC(=O)C[NH3+] 76598217 572380572 /nfs/dbraw/zinc/38/05/72/572380572.db2.gz GFKYCYASVVKRPP-MRVPVSSYSA-N 2 1 170.256 0.389 10 0 ACAEMP C[C@@H]1CO[C@@H]2C[N@@H+](C)CC[C@@H]2N1 76598176 572380658 /nfs/dbraw/zinc/38/06/58/572380658.db2.gz WZLAPZWDPOVUAR-HRDYMLBCSA-N 2 1 170.256 0.067 10 0 ACAEMP CCC(CC)[NH2+]C[C@H]([NH3+])[C@@H](C)O 87156980 572380996 /nfs/dbraw/zinc/38/09/96/572380996.db2.gz HIVFRGZRNBURRH-APPZFPTMSA-N 2 1 174.288 0.473 10 0 ACAEMP C[N@H+]1CCCC[C@H](C(=O)CN)C1 76598192 572381157 /nfs/dbraw/zinc/38/11/57/572381157.db2.gz MWPCSMWEUNSNAJ-QMMMGPOBSA-N 2 1 170.256 0.246 10 0 ACAEMP C[N@@H+]1CCCC[C@H](C(=O)C[NH3+])C1 76598192 572381160 /nfs/dbraw/zinc/38/11/60/572381160.db2.gz MWPCSMWEUNSNAJ-QMMMGPOBSA-N 2 1 170.256 0.246 10 0 ACAEMP C[N@H+]1CCCC[C@H](C(=O)C[NH3+])C1 76598192 572381164 /nfs/dbraw/zinc/38/11/64/572381164.db2.gz MWPCSMWEUNSNAJ-QMMMGPOBSA-N 2 1 170.256 0.246 10 0 ACAEMP CCC(CC)[NH2+]C[C@@H]([NH3+])[C@@H](C)O 87156983 572381221 /nfs/dbraw/zinc/38/12/21/572381221.db2.gz HIVFRGZRNBURRH-VXNVDRBHSA-N 2 1 174.288 0.473 10 0 ACAEMP Cc1[nH]cc(CCC[NH3+])[nH+]1 44279735 572381601 /nfs/dbraw/zinc/38/16/01/572381601.db2.gz IAQZZLBOHVMABT-UHFFFAOYSA-N 2 1 139.202 0.609 10 0 ACAEMP CCC(CC)[NH2+][C@H]1[C@H]2OCC[C@@H]2[C@H]1[NH3+] 87157028 572381867 /nfs/dbraw/zinc/38/18/67/572381867.db2.gz NXLYONHGKIGRTG-DBIOUOCHSA-N 2 1 198.310 0.879 10 0 ACAEMP CCC(CC)[N@@H+]1CCO[C@H](C(N)=[NH2+])C1 87157568 572381924 /nfs/dbraw/zinc/38/19/24/572381924.db2.gz XFZYRHGQZRFQKP-VIFPVBQESA-N 2 1 199.298 0.812 10 0 ACAEMP CCC(CC)[N@H+]1CCO[C@H](C(N)=[NH2+])C1 87157568 572381930 /nfs/dbraw/zinc/38/19/30/572381930.db2.gz XFZYRHGQZRFQKP-VIFPVBQESA-N 2 1 199.298 0.812 10 0 ACAEMP C[C@@H]1CO[C@H]2C[N@@H+](C)CC[C@@H]2N1 76598180 572382008 /nfs/dbraw/zinc/38/20/08/572382008.db2.gz WZLAPZWDPOVUAR-VGMNWLOBSA-N 2 1 170.256 0.067 10 0 ACAEMP CCC(CC)[NH2+]C[C@@H]([NH3+])[C@H](C)O 87156986 572382192 /nfs/dbraw/zinc/38/21/92/572382192.db2.gz HIVFRGZRNBURRH-IONNQARKSA-N 2 1 174.288 0.473 10 0 ACAEMP C[C@@H]1C[N@H+](CC2CCC2)C[C@H](C[NH3+])O1 299921154 572383443 /nfs/dbraw/zinc/38/34/43/572383443.db2.gz ZFCZTZCUQVQHNS-KOLCDFICSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H](C[NH3+])O1 299921154 572383448 /nfs/dbraw/zinc/38/34/48/572383448.db2.gz ZFCZTZCUQVQHNS-KOLCDFICSA-N 2 1 198.310 0.835 10 0 ACAEMP CO[C@H]1C[N@H+](C[C@H](C)[NH3+])CC[C@H]1C 299921359 572383540 /nfs/dbraw/zinc/38/35/40/572383540.db2.gz ZJRHPDYJMIICMT-UTLUCORTSA-N 2 1 186.299 0.690 10 0 ACAEMP CO[C@H]1C[N@@H+](C[C@H](C)[NH3+])CC[C@H]1C 299921359 572383544 /nfs/dbraw/zinc/38/35/44/572383544.db2.gz ZJRHPDYJMIICMT-UTLUCORTSA-N 2 1 186.299 0.690 10 0 ACAEMP CCc1[nH]cc(CCC[NH3+])[nH+]1 44283517 572384017 /nfs/dbraw/zinc/38/40/17/572384017.db2.gz VLHTWZWZQGDBSN-UHFFFAOYSA-N 2 1 153.229 0.863 10 0 ACAEMP C[C@H]1C[N@H+](CC2CCC2)C[C@H](C[NH3+])O1 299921155 572384058 /nfs/dbraw/zinc/38/40/58/572384058.db2.gz ZFCZTZCUQVQHNS-ONGXEEELSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@H]1C[N@@H+](CC2CCC2)C[C@H](C[NH3+])O1 299921155 572384064 /nfs/dbraw/zinc/38/40/64/572384064.db2.gz ZFCZTZCUQVQHNS-ONGXEEELSA-N 2 1 198.310 0.835 10 0 ACAEMP CCn1c[nH+]cc1CCC[NH3+] 44283262 572384328 /nfs/dbraw/zinc/38/43/28/572384328.db2.gz PMCPGMBTSRQNRA-UHFFFAOYSA-N 2 1 153.229 0.794 10 0 ACAEMP CC[N@H+]1CCC[C@H](OCCC[NH3+])C1 308001926 572384574 /nfs/dbraw/zinc/38/45/74/572384574.db2.gz HZDBPOUCSQJXDR-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP CC[N@H+]1CCC[C@@H](OCCC[NH3+])C1 308001936 572385038 /nfs/dbraw/zinc/38/50/38/572385038.db2.gz HZDBPOUCSQJXDR-SNVBAGLBSA-N 2 1 186.299 0.836 10 0 ACAEMP C[C@@H](C[NH3+])[N@@H+]1CCC[C@@H]1CCCO 52758340 572387136 /nfs/dbraw/zinc/38/71/36/572387136.db2.gz NBGKDWMQNWBREA-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@H](C[NH3+])[N@H+]1CCC[C@@H]1CCCO 52758340 572387137 /nfs/dbraw/zinc/38/71/37/572387137.db2.gz NBGKDWMQNWBREA-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP CO[C@H]1C[N@H+](C[C@@H](C)[NH3+])CC[C@H]1C 299921356 572385484 /nfs/dbraw/zinc/38/54/84/572385484.db2.gz ZJRHPDYJMIICMT-BBBLOLIVSA-N 2 1 186.299 0.690 10 0 ACAEMP CO[C@H]1C[N@@H+](C[C@@H](C)[NH3+])CC[C@H]1C 299921356 572385487 /nfs/dbraw/zinc/38/54/87/572385487.db2.gz ZJRHPDYJMIICMT-BBBLOLIVSA-N 2 1 186.299 0.690 10 0 ACAEMP C[N@H+]1CCCC[C@H]1C[C@H](O)C[NH3+] 76599471 572387149 /nfs/dbraw/zinc/38/71/49/572387149.db2.gz HMRKQVCUMWVGDY-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP [NH3+][C@H]1CC[N@@H+](CCCn2cccc2)C1 238686657 572385916 /nfs/dbraw/zinc/38/59/16/572385916.db2.gz KHQHCNTWQYENEQ-NSHDSACASA-N 2 1 193.294 0.911 10 0 ACAEMP [NH3+][C@H]1CC[N@H+](CCCn2cccc2)C1 238686657 572385911 /nfs/dbraw/zinc/38/59/11/572385911.db2.gz KHQHCNTWQYENEQ-NSHDSACASA-N 2 1 193.294 0.911 10 0 ACAEMP C[N@H+]1CCCC[C@H](O)[C@@H]1CC[NH3+] 76599355 572386742 /nfs/dbraw/zinc/38/67/42/572386742.db2.gz SQGWMRNMTXYTAR-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1C[C@H](O)C[NH3+] 76599469 572387194 /nfs/dbraw/zinc/38/71/94/572387194.db2.gz HMRKQVCUMWVGDY-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+]1CCC[C@H](O)[C@H](CC[NH3+])C1 76599365 572386913 /nfs/dbraw/zinc/38/69/13/572386913.db2.gz XJDZFQHADZCBOS-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CCC[C@@H](CC[NH3+])[C@H](O)C1 76599362 572386937 /nfs/dbraw/zinc/38/69/37/572386937.db2.gz PFGRCQROOPAUAA-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[N@@H+](CCF)CCOCC[NH3+] 308002384 572387069 /nfs/dbraw/zinc/38/70/69/572387069.db2.gz ILLLIHLEJQMUSJ-UHFFFAOYSA-N 2 1 178.251 0.253 10 0 ACAEMP C[N@H+]1CCC[C@@H]1CC[C@H](O)C[NH3+] 76599448 572387070 /nfs/dbraw/zinc/38/70/70/572387070.db2.gz DLXUOPKOHQPIJC-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@H]1[C@@H](CC[NH3+])[C@H](O)CC[N@H+]1C 76599391 572387330 /nfs/dbraw/zinc/38/73/30/572387330.db2.gz QMTYPBODXNPABS-IWSPIJDZSA-N 2 1 172.272 0.036 10 0 ACAEMP C[N@H+]1CCC[C@H]1CC[C@H](O)C[NH3+] 76599451 572387338 /nfs/dbraw/zinc/38/73/38/572387338.db2.gz DLXUOPKOHQPIJC-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+]1CC[C@@H](O)[C@H](CCC[NH3+])C1 76599410 572387447 /nfs/dbraw/zinc/38/74/47/572387447.db2.gz ILISKUHVJDLACM-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H]1[C@H](CC[NH3+])[C@H](O)CC[N@H+]1C 76599385 572387561 /nfs/dbraw/zinc/38/75/61/572387561.db2.gz QMTYPBODXNPABS-HRDYMLBCSA-N 2 1 172.272 0.036 10 0 ACAEMP C[N@H+]1CCC[C@H](CC[NH3+])[C@H](O)C1 76599359 572387755 /nfs/dbraw/zinc/38/77/55/572387755.db2.gz PFGRCQROOPAUAA-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@H]1[C@@H](C[NH3+])[C@@H](O)C[C@@H](C)[N@@H+]1C 76599341 572387849 /nfs/dbraw/zinc/38/78/49/572387849.db2.gz QHKNPUXPGAKUBB-XAVMHZPKSA-N 2 1 172.272 0.035 10 0 ACAEMP C[C@H]1[C@@H](C[NH3+])[C@H](O)C[C@@H](C)[N@@H+]1C 76599344 572387978 /nfs/dbraw/zinc/38/79/78/572387978.db2.gz QHKNPUXPGAKUBB-BZNPZCIMSA-N 2 1 172.272 0.035 10 0 ACAEMP C[N@@H+]1CC[C@H](CC[NH3+])[C@H](O)CC1 76599370 572388100 /nfs/dbraw/zinc/38/81/00/572388100.db2.gz VEFHEAXOGOHYED-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H]1C[C@@H]([C@H](O)C[NH3+])CC[N@H+]1C 76599442 572388157 /nfs/dbraw/zinc/38/81/57/572388157.db2.gz UYXJNDWHMXWXLT-HRDYMLBCSA-N 2 1 172.272 0.036 10 0 ACAEMP C[N@H+]1CCCC[C@@H]([C@H](O)C[NH3+])C1 76599434 572388697 /nfs/dbraw/zinc/38/86/97/572388697.db2.gz YSLNLQRTJUHANG-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CCCC[C@@H](O)[C@@H]1CC[NH3+] 76599356 572388295 /nfs/dbraw/zinc/38/82/95/572388295.db2.gz SQGWMRNMTXYTAR-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+]1CCC[C@@H](O)[C@@H]1CCC[NH3+] 76599406 572388330 /nfs/dbraw/zinc/38/83/30/572388330.db2.gz ORXDWMYERYLNEI-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@H]1[C@H](C[NH3+])[C@@H](O)C[C@@H](C)[N@@H+]1C 76599348 572388519 /nfs/dbraw/zinc/38/85/19/572388519.db2.gz QHKNPUXPGAKUBB-XGEHTFHBSA-N 2 1 172.272 0.035 10 0 ACAEMP C[C@@H]1C[C@H]([C@H](O)C[NH3+])CC[N@H+]1C 76599437 572388765 /nfs/dbraw/zinc/38/87/65/572388765.db2.gz UYXJNDWHMXWXLT-IWSPIJDZSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H]1[C@H](C[NH3+])[C@H](O)C[C@@H](C)[N@@H+]1C 76599352 572388815 /nfs/dbraw/zinc/38/88/15/572388815.db2.gz QHKNPUXPGAKUBB-RYPBNFRJSA-N 2 1 172.272 0.035 10 0 ACAEMP C[N@H+]1CC[C@@H](CC[C@H](O)C[NH3+])C1 76599456 572388830 /nfs/dbraw/zinc/38/88/30/572388830.db2.gz HISMPLPUZJWUNP-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CC[C@H](O)[C@H](CCC[NH3+])C1 76599407 572388886 /nfs/dbraw/zinc/38/88/86/572388886.db2.gz ILISKUHVJDLACM-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CC[C@@H](O)[C@H](CC[NH3+])CC1 76599372 572389070 /nfs/dbraw/zinc/38/90/70/572389070.db2.gz VEFHEAXOGOHYED-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CCC[C@@H](O)[C@H](CC[NH3+])C1 76599368 572389203 /nfs/dbraw/zinc/38/92/03/572389203.db2.gz XJDZFQHADZCBOS-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CC[C@H](CC[C@H](O)C[NH3+])C1 76599455 572389361 /nfs/dbraw/zinc/38/93/61/572389361.db2.gz HISMPLPUZJWUNP-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CCC[C@H](O)[C@@H]1CCC[NH3+] 76599402 572389545 /nfs/dbraw/zinc/38/95/45/572389545.db2.gz ORXDWMYERYLNEI-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@H]1C[C@@H](O)[C@H](CC[NH3+])C[N@H+]1C 76599379 572389645 /nfs/dbraw/zinc/38/96/45/572389645.db2.gz ORJWGRIEOJTKSX-IWSPIJDZSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H](C[C@H]1CCCC[NH2+]1)[NH2+]C1COC1 87194814 572390343 /nfs/dbraw/zinc/39/03/43/572390343.db2.gz PDBSMRYDQUPDGJ-NXEZZACHSA-N 2 1 198.310 0.896 10 0 ACAEMP C[N@H+]1CCCC[C@H]1CCNC1COC1 87195345 572389802 /nfs/dbraw/zinc/38/98/02/572389802.db2.gz VAWNLPIUAZRWKO-NSHDSACASA-N 2 1 198.310 0.849 10 0 ACAEMP C[N@H+]1CCCC[C@H]([C@H](O)C[NH3+])C1 76599430 572389870 /nfs/dbraw/zinc/38/98/70/572389870.db2.gz YSLNLQRTJUHANG-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1COC1 87194653 572389902 /nfs/dbraw/zinc/38/99/02/572389902.db2.gz QOVSPRDOKLVHNM-RKDXNWHRSA-N 2 1 184.283 0.505 10 0 ACAEMP C[NH2+][C@@H]1CC[C@H]([N@H+]2CC[C@@H](OC)C2)C1 234432273 572390187 /nfs/dbraw/zinc/39/01/87/572390187.db2.gz UIHQANVCPKZBLD-OUAUKWLOSA-N 2 1 198.310 0.848 10 0 ACAEMP CC[NH2+]CC1CC[NH+](COC)CC1 83755743 572390576 /nfs/dbraw/zinc/39/05/76/572390576.db2.gz BHIHBBWFYFJMSW-UHFFFAOYSA-N 2 1 186.299 0.912 10 0 ACAEMP C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]C1COC1 87194812 572391057 /nfs/dbraw/zinc/39/10/57/572391057.db2.gz PDBSMRYDQUPDGJ-ZJUUUORDSA-N 2 1 198.310 0.896 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1CCNC1COC1 87195344 572391121 /nfs/dbraw/zinc/39/11/21/572391121.db2.gz VAWNLPIUAZRWKO-LLVKDONJSA-N 2 1 198.310 0.849 10 0 ACAEMP C[NH2+]CC1CC[NH+](COC)CC1 83755742 572391270 /nfs/dbraw/zinc/39/12/70/572391270.db2.gz GDIKNEMGFRGREW-UHFFFAOYSA-N 2 1 172.272 0.522 10 0 ACAEMP C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]C1COC1 87194813 572391571 /nfs/dbraw/zinc/39/15/71/572391571.db2.gz PDBSMRYDQUPDGJ-VHSXEESVSA-N 2 1 198.310 0.896 10 0 ACAEMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1COC1 87194652 572391918 /nfs/dbraw/zinc/39/19/18/572391918.db2.gz QOVSPRDOKLVHNM-DTWKUNHWSA-N 2 1 184.283 0.505 10 0 ACAEMP C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]C1COC1 87194811 572392927 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0.476 10 0 ACAEMP CC[C@@H](C)[NH2+][C@]1(C[NH3+])CCN(C)C1 83760749 572393412 /nfs/dbraw/zinc/39/34/12/572393412.db2.gz QDTHBHWDLHGGQY-ZJUUUORDSA-N 2 1 185.315 0.408 10 0 ACAEMP [NH3+]C[C@H]([NH2+]CCO)C1CCCC1 83758136 572393423 /nfs/dbraw/zinc/39/34/23/572393423.db2.gz ZIBWCGLYWAAPTN-VIFPVBQESA-N 2 1 172.272 0.086 10 0 ACAEMP C[C@H]1CCC[C@@]1(C[NH3+])[NH2+]CCO 83758103 572394454 /nfs/dbraw/zinc/39/44/54/572394454.db2.gz OROWELFHEQUEDL-IUCAKERBSA-N 2 1 172.272 0.086 10 0 ACAEMP [NH3+]C[C@@H]([NH2+]CCO)C1CCCC1 83758135 572393797 /nfs/dbraw/zinc/39/37/97/572393797.db2.gz ZIBWCGLYWAAPTN-SECBINFHSA-N 2 1 172.272 0.086 10 0 ACAEMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1COC1 87194650 572393802 /nfs/dbraw/zinc/39/38/02/572393802.db2.gz QOVSPRDOKLVHNM-IUCAKERBSA-N 2 1 184.283 0.505 10 0 ACAEMP C[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]CCO 83758387 572393929 /nfs/dbraw/zinc/39/39/29/572393929.db2.gz UGXRPXIULRFEOM-NXEZZACHSA-N 2 1 186.299 0.476 10 0 ACAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CCOC1 83760759 572394477 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QNOYXNCZYADVER-RKDXNWHRSA-N 2 1 174.288 0.332 10 0 ACAEMP CCCCC[C@@H](C[NH3+])[NH2+]CCO 83758319 572395037 /nfs/dbraw/zinc/39/50/37/572395037.db2.gz ZRLBDDMYUAFKIM-VIFPVBQESA-N 2 1 174.288 0.476 10 0 ACAEMP CC[C@@H](C)[NH2+][C@]1(C[NH3+])CCCOC1 83760507 572395241 /nfs/dbraw/zinc/39/52/41/572395241.db2.gz MQTPACKYKHTNLU-ZJUUUORDSA-N 2 1 186.299 0.882 10 0 ACAEMP CCCCCC[C@H](C[NH3+])[NH2+]CCO 83758264 572395256 /nfs/dbraw/zinc/39/52/56/572395256.db2.gz CXRQCUHVYRWSLX-SNVBAGLBSA-N 2 1 188.315 0.866 10 0 ACAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CCCOC1 83760508 572395493 /nfs/dbraw/zinc/39/54/93/572395493.db2.gz MQTPACKYKHTNLU-UWVGGRQHSA-N 2 1 186.299 0.882 10 0 ACAEMP C[C@H]1CCC[C@]1(C[NH3+])[NH2+]CCO 83758105 572395578 /nfs/dbraw/zinc/39/55/78/572395578.db2.gz OROWELFHEQUEDL-DTWKUNHWSA-N 2 1 172.272 0.086 10 0 ACAEMP CC(C)(C)C[C@H](C[NH3+])[NH2+]CCO 83758190 572395624 /nfs/dbraw/zinc/39/56/24/572395624.db2.gz CDODWDFUSRXYQZ-MRVPVSSYSA-N 2 1 174.288 0.332 10 0 ACAEMP CC[C@@H](C)[NH2+][C@@]1(C[NH3+])CCN(C)C1 83760752 572395705 /nfs/dbraw/zinc/39/57/05/572395705.db2.gz QDTHBHWDLHGGQY-NXEZZACHSA-N 2 1 185.315 0.408 10 0 ACAEMP COCC[C@H]([NH3+])C[NH+]1CCCC1 52810512 572395952 /nfs/dbraw/zinc/39/59/52/572395952.db2.gz RDCGGNHVSWKOPT-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP CC[C@@H](C)[NH2+][C@@]1(C[NH3+])CCCOC1 83760510 572395770 /nfs/dbraw/zinc/39/57/70/572395770.db2.gz MQTPACKYKHTNLU-NXEZZACHSA-N 2 1 186.299 0.882 10 0 ACAEMP C[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]CCO 83758386 572395798 /nfs/dbraw/zinc/39/57/98/572395798.db2.gz UGXRPXIULRFEOM-UWVGGRQHSA-N 2 1 186.299 0.476 10 0 ACAEMP CCC[C@@H](C)[C@H](C[NH3+])[NH2+]CCO 83758183 572396296 /nfs/dbraw/zinc/39/62/96/572396296.db2.gz QNOYXNCZYADVER-BDAKNGLRSA-N 2 1 174.288 0.332 10 0 ACAEMP C[C@H]1CCCC[C@]1(C[NH3+])[NH2+]CCO 83758388 572396909 /nfs/dbraw/zinc/39/69/09/572396909.db2.gz UGXRPXIULRFEOM-VHSXEESVSA-N 2 1 186.299 0.476 10 0 ACAEMP CC[C@@H](C)[NH2+][C@]1(C[NH3+])CCOC1 83760757 572397052 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KAOQDSRXHVSVNS-VHSXEESVSA-N 2 1 186.299 0.596 10 0 ACAEMP CCC[C@@](C)(C[NH3+])[NH2+]CCCO 83775287 572398880 /nfs/dbraw/zinc/39/88/80/572398880.db2.gz AINJMCZCOWIDPS-VIFPVBQESA-N 2 1 174.288 0.476 10 0 ACAEMP COCC[C@](C)(C[NH3+])[NH2+]CC1CC1 83763395 572399052 /nfs/dbraw/zinc/39/90/52/572399052.db2.gz DQSFYPLFZFIJNE-SNVBAGLBSA-N 2 1 186.299 0.740 10 0 ACAEMP [NH3+]C[C@H]([NH2+]CCCO)C1CCCC1 83775222 572399074 /nfs/dbraw/zinc/39/90/74/572399074.db2.gz BDFQOTALFPTENR-JTQLQIEISA-N 2 1 186.299 0.476 10 0 ACAEMP COC[C@](C)(C[NH3+])[NH2+]CC(C)C 83762025 572399093 /nfs/dbraw/zinc/39/90/93/572399093.db2.gz GHPOUSRHRFJPCG-VIFPVBQESA-N 2 1 174.288 0.596 10 0 ACAEMP [NH3+]C[C@H]([NH2+]C1CCCC1)[C@@H]1CCOC1 83762653 572399109 /nfs/dbraw/zinc/39/91/09/572399109.db2.gz QAHYQCUVKFKEGM-KOLCDFICSA-N 2 1 198.310 0.882 10 0 ACAEMP COC[C@](C)(C[NH3+])[NH2+]C1CCCC1 83762747 572399141 /nfs/dbraw/zinc/39/91/41/572399141.db2.gz AOPWDXNNRWXOKG-JTQLQIEISA-N 2 1 186.299 0.882 10 0 ACAEMP 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160.261 0.086 10 0 ACAEMP CC(C)C[NH2+][C@@]1(C[NH3+])CCOC1 83761649 572403106 /nfs/dbraw/zinc/40/31/06/572403106.db2.gz NECFMHUHKUPTGD-SECBINFHSA-N 2 1 172.272 0.350 10 0 ACAEMP CC(C)C[NH2+][C@]1(C[NH3+])CCN(C)C1 83761645 572403183 /nfs/dbraw/zinc/40/31/83/572403183.db2.gz DFJCFUUSYGHORM-JTQLQIEISA-N 2 1 185.315 0.265 10 0 ACAEMP CC[C@](C[NH3+])(COC)[NH2+]CC1CC1 83763578 572403189 /nfs/dbraw/zinc/40/31/89/572403189.db2.gz PNZWDUAVWPXXDJ-JTQLQIEISA-N 2 1 186.299 0.740 10 0 ACAEMP [NH3+]C[C@@]1([NH2+]CC2CC2)CCSC1 83763900 572403247 /nfs/dbraw/zinc/40/32/47/572403247.db2.gz MQYLDRVSXAHQRJ-VIFPVBQESA-N 2 1 186.324 0.820 10 0 ACAEMP C[C@](C[NH3+])([NH2+]CCCO)C1CC1 83775329 572403257 /nfs/dbraw/zinc/40/32/57/572403257.db2.gz KDMLYUYSFHNKJL-SECBINFHSA-N 2 1 172.272 0.086 10 0 ACAEMP CCC[C@H](C[NH3+])[NH2+]C[C@H]1CCCO1 83774244 572403354 /nfs/dbraw/zinc/40/33/54/572403354.db2.gz GHTQINJZAHFBFR-NXEZZACHSA-N 2 1 186.299 0.882 10 0 ACAEMP CC(C)C[C@](C)(C[NH3+])[NH2+]CCCO 83775284 572403383 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0.836 10 0 ACAEMP CCCC[C@@H](CO)[N@@H+]1CC[C@@H]([NH3+])C1 238792715 572407961 /nfs/dbraw/zinc/40/79/61/572407961.db2.gz OCBXGTCYAOXHOY-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP CCCC[C@@H](CO)[N@H+]1CC[C@@H]([NH3+])C1 238792715 572407964 /nfs/dbraw/zinc/40/79/64/572407964.db2.gz OCBXGTCYAOXHOY-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP C[NH2+][C@H](C)C[NH2+]C[C@@]1(C)CCCO1 87255929 572411036 /nfs/dbraw/zinc/41/10/36/572411036.db2.gz CGWOKAZDPJUXTP-NXEZZACHSA-N 2 1 186.299 0.753 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]C[C@@]1(C)CCCO1 87251586 572408155 /nfs/dbraw/zinc/40/81/55/572408155.db2.gz ZQPICAZVVJECHJ-RKDXNWHRSA-N 2 1 172.272 0.492 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]C[C@]1(C)CCCO1 87251579 572408572 /nfs/dbraw/zinc/40/85/72/572408572.db2.gz ZQPICAZVVJECHJ-IUCAKERBSA-N 2 1 172.272 0.492 10 0 ACAEMP C[C@]1(C[NH2+]C[C@H]2CCC[NH2+]2)CCCO1 87255876 572408896 /nfs/dbraw/zinc/40/88/96/572408896.db2.gz VGHGOFGISQQNCI-GHMZBOCLSA-N 2 1 198.310 0.897 10 0 ACAEMP 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/nfs/dbraw/zinc/44/42/18/572444218.db2.gz IRHWURHWYSXDIH-QMMMGPOBSA-N 2 1 199.298 0.405 10 0 ACAEMP CN1CC[C@@H]([NH3+])C[C@H]1[C@H]1CC[N@@H+](C)C1 74238756 572444445 /nfs/dbraw/zinc/44/44/45/572444445.db2.gz GLIUDXWFLRIXBN-AXFHLTTASA-N 2 1 197.326 0.360 10 0 ACAEMP CC[N@@H+](CCO)CC1(CC(N)=[NH2+])CC1 83856025 572444528 /nfs/dbraw/zinc/44/45/28/572444528.db2.gz ROWPTNZKIRYADP-UHFFFAOYSA-N 2 1 199.298 0.407 10 0 ACAEMP CC[N@@H+]1C[C@H](C)[NH2+]C[C@@H](C)C1 250344092 572444803 /nfs/dbraw/zinc/44/48/03/572444803.db2.gz QDXQKFFRSWZMMC-BDAKNGLRSA-N 2 1 156.273 0.936 10 0 ACAEMP CC[C@@H]([NH3+])[C@@]1(N(C)C)CCC[N@@H+](C)C1 74214372 572444872 /nfs/dbraw/zinc/44/48/72/572444872.db2.gz XKDYCVRASHDGOB-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP C[NH+](C)[C@@](C)(C[NH3+])CCc1cnco1 74239156 572444969 /nfs/dbraw/zinc/44/49/69/572444969.db2.gz WCTNXPPXXPQSDM-SNVBAGLBSA-N 2 1 197.282 0.886 10 0 ACAEMP CC(C)(O)C[N@@H+]1CCCC[C@@H]1C[NH3+] 44559280 572445011 /nfs/dbraw/zinc/44/50/11/572445011.db2.gz LKXVMUGOWLKBCU-SECBINFHSA-N 2 1 186.299 0.571 10 0 ACAEMP CC(C)(O)C[N@H+]1CCCC[C@@H]1C[NH3+] 44559280 572445015 /nfs/dbraw/zinc/44/50/15/572445015.db2.gz LKXVMUGOWLKBCU-SECBINFHSA-N 2 1 186.299 0.571 10 0 ACAEMP CCN1[C@@H](C)CC[N@@H+](C)C[C@H]1CC[NH3+] 250346289 572445020 /nfs/dbraw/zinc/44/50/20/572445020.db2.gz QNEJGVIXJNJKKX-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H](O)C[N@@H+](C)CC1(CC(N)=[NH2+])CC1 83856138 572445106 /nfs/dbraw/zinc/44/51/06/572445106.db2.gz IRHWURHWYSXDIH-MRVPVSSYSA-N 2 1 199.298 0.405 10 0 ACAEMP CCN(CC)[C@H](C[NH3+])[C@H]1CC[N@@H+](C)C1 74214397 572445195 /nfs/dbraw/zinc/44/51/95/572445195.db2.gz MNOVCFNNKWCLGP-WDEREUQCSA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@H+]1CC[C@H](CC[C@@H]([NH3+])CO)C1 250551738 572445218 /nfs/dbraw/zinc/44/52/18/572445218.db2.gz AJOUPAGBMUPERT-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP CC(C)(O)C[N@@H+]1CCCC[C@H]1C[NH3+] 44559281 572445223 /nfs/dbraw/zinc/44/52/23/572445223.db2.gz LKXVMUGOWLKBCU-VIFPVBQESA-N 2 1 186.299 0.571 10 0 ACAEMP CC(C)(O)C[N@H+]1CCCC[C@H]1C[NH3+] 44559281 572445227 /nfs/dbraw/zinc/44/52/27/572445227.db2.gz LKXVMUGOWLKBCU-VIFPVBQESA-N 2 1 186.299 0.571 10 0 ACAEMP CN(C)[C@@H]1C[N@H+](C)CC[C@@H]1CCC[NH3+] 74214381 572445247 /nfs/dbraw/zinc/44/52/47/572445247.db2.gz CUVCCOZRCFQGBE-WDEREUQCSA-N 2 1 199.342 0.607 10 0 ACAEMP CN(C)[C@@H]1C[N@@H+](C)CC[C@@H]1CCC[NH3+] 74214381 572445253 /nfs/dbraw/zinc/44/52/53/572445253.db2.gz CUVCCOZRCFQGBE-WDEREUQCSA-N 2 1 199.342 0.607 10 0 ACAEMP CN(C)[C@@H]1CCC[N@@H+](C)[C@H]1CCC[NH3+] 74214380 572445495 /nfs/dbraw/zinc/44/54/95/572445495.db2.gz DNIUXWRMHSOBQP-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP CC[N@H+](C)CCNCC[NH+](C)C 53379029 572451081 /nfs/dbraw/zinc/45/10/81/572451081.db2.gz QVHYHGHVHCUSNV-UHFFFAOYSA-N 2 1 173.304 0.089 10 0 ACAEMP CN1CCC[C@@H]([NH+](C)C)[C@@H]1CCC[NH3+] 74214380 572445500 /nfs/dbraw/zinc/44/55/00/572445500.db2.gz DNIUXWRMHSOBQP-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP CCN(CC)[C@@H](C[NH3+])[C@@H]1CC[N@@H+](C)C1 74214388 572445593 /nfs/dbraw/zinc/44/55/93/572445593.db2.gz MNOVCFNNKWCLGP-MNOVXSKESA-N 2 1 199.342 0.607 10 0 ACAEMP C[NH2+][C@@H](C)C[NH2+]CCC1CC1 83895376 572445617 /nfs/dbraw/zinc/44/56/17/572445617.db2.gz OMXGSOMEFIEMRQ-QMMMGPOBSA-N 2 1 156.273 0.984 10 0 ACAEMP CC[C@H]([NH3+])[C@@]1(N(C)C)CCC[N@@H+](C)C1 74214371 572445738 /nfs/dbraw/zinc/44/57/38/572445738.db2.gz XKDYCVRASHDGOB-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP C[NH2+][C@H](C)C[NH2+]CCC1CC1 83895377 572445766 /nfs/dbraw/zinc/44/57/66/572445766.db2.gz OMXGSOMEFIEMRQ-MRVPVSSYSA-N 2 1 156.273 0.984 10 0 ACAEMP C[NH+](C)CCC[C@H](C[NH3+])[NH+]1CCCC1 74214358 572445789 /nfs/dbraw/zinc/44/57/89/572445789.db2.gz FCAWUWVYFBTIDR-LLVKDONJSA-N 3 1 199.342 0.751 10 0 ACAEMP C[NH+](C)CCC[C@H](C[NH3+])N1CCCC1 74214358 572445791 /nfs/dbraw/zinc/44/57/91/572445791.db2.gz FCAWUWVYFBTIDR-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP CCN(CC)[C@H](C[NH3+])[C@@H]1CC[N@@H+](C)C1 74214391 572445833 /nfs/dbraw/zinc/44/58/33/572445833.db2.gz MNOVCFNNKWCLGP-GHMZBOCLSA-N 2 1 199.342 0.607 10 0 ACAEMP CC[C@@H]([NH3+])[C@]1(N(C)C)CCC[N@@H+](C)C1 74214370 572445846 /nfs/dbraw/zinc/44/58/46/572445846.db2.gz XKDYCVRASHDGOB-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP [NH3+]CC[C@@H](O)[NH+]1CCCCC1 44544759 572445849 /nfs/dbraw/zinc/44/58/49/572445849.db2.gz VZJYRAXMCIOHOG-MRVPVSSYSA-N 2 1 158.245 0.140 10 0 ACAEMP CCN1[C@H](C)CC[N@@H+](C)C[C@H]1CC[NH3+] 250346285 572445864 /nfs/dbraw/zinc/44/58/64/572445864.db2.gz QNEJGVIXJNJKKX-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H](C[NH3+])N2CCCC2)C1 74238769 572446049 /nfs/dbraw/zinc/44/60/49/572446049.db2.gz JCDHVSHAZUDMRK-GHMZBOCLSA-N 2 1 197.326 0.361 10 0 ACAEMP [NH3+]CC[C@H](O)[NH+]1CCCCC1 44544761 572446105 /nfs/dbraw/zinc/44/61/05/572446105.db2.gz VZJYRAXMCIOHOG-QMMMGPOBSA-N 2 1 158.245 0.140 10 0 ACAEMP C[NH+](C)CCC[C@@H](C[NH3+])[NH+]1CCCC1 74214355 572446139 /nfs/dbraw/zinc/44/61/39/572446139.db2.gz FCAWUWVYFBTIDR-NSHDSACASA-N 3 1 199.342 0.751 10 0 ACAEMP C[NH+](C)CCC[C@@H](C[NH3+])N1CCCC1 74214355 572446145 /nfs/dbraw/zinc/44/61/45/572446145.db2.gz FCAWUWVYFBTIDR-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CN1C[C@@H]([NH3+])C[C@@H]([C@H]2CC[N@@H+](C)C2)C1 74238749 572446195 /nfs/dbraw/zinc/44/61/95/572446195.db2.gz SWEJDTNSVFPHPU-AXFHLTTASA-N 2 1 197.326 0.217 10 0 ACAEMP C[NH2+]C(C)(C)C[NH2+]C1CC1 61319640 572446326 /nfs/dbraw/zinc/44/63/26/572446326.db2.gz KUGQAXGDFNFUQE-UHFFFAOYSA-N 2 1 142.246 0.736 10 0 ACAEMP C[NH+](C)CCC[C@@H]1C[N@@H+](C)CC[C@H]1[NH3+] 74214378 572446509 /nfs/dbraw/zinc/44/65/09/572446509.db2.gz VVNLEGIFSFYORE-GHMZBOCLSA-N 3 1 199.342 0.607 10 0 ACAEMP C[NH+](C)CCC[C@@H]1C[N@@H+](C)CC[C@@H]1[NH3+] 74214376 572446564 /nfs/dbraw/zinc/44/65/64/572446564.db2.gz VVNLEGIFSFYORE-MNOVXSKESA-N 3 1 199.342 0.607 10 0 ACAEMP C[NH2+]C(C)(C)C[NH2+][C@@H]1C[C@H]1C 61319839 572446623 /nfs/dbraw/zinc/44/66/23/572446623.db2.gz NZWSKUVHQFVRHX-HTQZYQBOSA-N 2 1 156.273 0.982 10 0 ACAEMP C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1CCC[NH3+] 74214384 572446676 /nfs/dbraw/zinc/44/66/76/572446676.db2.gz JEOKHALFWSEQKA-MNOVXSKESA-N 3 1 199.342 0.607 10 0 ACAEMP C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1CCC[NH3+] 74214384 572446678 /nfs/dbraw/zinc/44/66/78/572446678.db2.gz JEOKHALFWSEQKA-MNOVXSKESA-N 3 1 199.342 0.607 10 0 ACAEMP CN1C[C@@H]([NH3+])CC[C@H]1[C@H]1CC[N@@H+](C)C1 74238752 572446683 /nfs/dbraw/zinc/44/66/83/572446683.db2.gz GFHDSCCQNNJESQ-DCAQKATOSA-N 2 1 197.326 0.360 10 0 ACAEMP C[NH2+]C(C)(C)C[NH2+][C@H]1C[C@H]1C 61319837 572446706 /nfs/dbraw/zinc/44/67/06/572446706.db2.gz NZWSKUVHQFVRHX-SFYZADRCSA-N 2 1 156.273 0.982 10 0 ACAEMP CS[C@@H](C)C[NH2+][C@@H](C)C[NH3+] 235047016 572446784 /nfs/dbraw/zinc/44/67/84/572446784.db2.gz MGUFWHGUFVRWEJ-BQBZGAKWSA-N 2 1 162.302 0.675 10 0 ACAEMP CC[C@H]([NH3+])[C@]1(N(C)C)CCC[N@@H+](C)C1 74214368 572446882 /nfs/dbraw/zinc/44/68/82/572446882.db2.gz XKDYCVRASHDGOB-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP CCN(CC)[C@@H](C[NH3+])[C@H]1CC[N@@H+](C)C1 74214393 572447064 /nfs/dbraw/zinc/44/70/64/572447064.db2.gz MNOVCFNNKWCLGP-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@H+](C[C@H]([NH3+])C1CC1)C1CC1 68893830 572449025 /nfs/dbraw/zinc/44/90/25/572449025.db2.gz NTWQURVEWRPDOV-VIFPVBQESA-N 2 1 154.257 0.818 10 0 ACAEMP CC[N@H+]1C[C@@H](C)C[NH2+][C@@H](C)C1 250344094 572447289 /nfs/dbraw/zinc/44/72/89/572447289.db2.gz QDXQKFFRSWZMMC-IUCAKERBSA-N 2 1 156.273 0.936 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H](C[NH3+])N2CCCC2)C1 74238767 572447392 /nfs/dbraw/zinc/44/73/92/572447392.db2.gz JCDHVSHAZUDMRK-WDEREUQCSA-N 2 1 197.326 0.361 10 0 ACAEMP C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1CCC[NH3+] 74214385 572447526 /nfs/dbraw/zinc/44/75/26/572447526.db2.gz JEOKHALFWSEQKA-GHMZBOCLSA-N 3 1 199.342 0.607 10 0 ACAEMP C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1CCC[NH3+] 74214385 572447528 /nfs/dbraw/zinc/44/75/28/572447528.db2.gz JEOKHALFWSEQKA-GHMZBOCLSA-N 3 1 199.342 0.607 10 0 ACAEMP CN(C)[C@@H]1C[N@H+](C)CC[C@H]1CCC[NH3+] 74214383 572447585 /nfs/dbraw/zinc/44/75/85/572447585.db2.gz CUVCCOZRCFQGBE-GHMZBOCLSA-N 2 1 199.342 0.607 10 0 ACAEMP CN(C)[C@@H]1C[N@@H+](C)CC[C@H]1CCC[NH3+] 74214383 572447588 /nfs/dbraw/zinc/44/75/88/572447588.db2.gz CUVCCOZRCFQGBE-GHMZBOCLSA-N 2 1 199.342 0.607 10 0 ACAEMP CN(C)[C@H]1CCC[N@@H+](C)[C@H]1CCC[NH3+] 74214379 572447618 /nfs/dbraw/zinc/44/76/18/572447618.db2.gz DNIUXWRMHSOBQP-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP CN1CCC[C@H]([NH+](C)C)[C@@H]1CCC[NH3+] 74214379 572447621 /nfs/dbraw/zinc/44/76/21/572447621.db2.gz DNIUXWRMHSOBQP-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP C[NH2+]C(C)(C)C[NH2+][C@H]1C[C@@H]1C 61319838 572448500 /nfs/dbraw/zinc/44/85/00/572448500.db2.gz NZWSKUVHQFVRHX-YUMQZZPRSA-N 2 1 156.273 0.982 10 0 ACAEMP COC[C@H](C)[N@H+](C)C[C@H]([NH3+])C1CC1 68895570 572448584 /nfs/dbraw/zinc/44/85/84/572448584.db2.gz PQUBFGHLLZPPRB-WPRPVWTQSA-N 2 1 186.299 0.690 10 0 ACAEMP COC[C@H](C)[N@@H+](C)C[C@H]([NH3+])C1CC1 68895570 572448585 /nfs/dbraw/zinc/44/85/85/572448585.db2.gz PQUBFGHLLZPPRB-WPRPVWTQSA-N 2 1 186.299 0.690 10 0 ACAEMP COc1nc(C[NH3+])oc1CC[NH+](C)C 74215116 572448768 /nfs/dbraw/zinc/44/87/68/572448768.db2.gz POKZYTJRMPBPMX-UHFFFAOYSA-N 2 1 199.254 0.246 10 0 ACAEMP C[N@H+](C[C@@H]([NH3+])C1CC1)C1CC1 68893832 572450241 /nfs/dbraw/zinc/45/02/41/572450241.db2.gz NTWQURVEWRPDOV-SECBINFHSA-N 2 1 154.257 0.818 10 0 ACAEMP C[N@@H+](C[C@@H]([NH3+])C1CC1)C1CC1 68893832 572450243 /nfs/dbraw/zinc/45/02/43/572450243.db2.gz NTWQURVEWRPDOV-SECBINFHSA-N 2 1 154.257 0.818 10 0 ACAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])C1CC1 68898448 572448950 /nfs/dbraw/zinc/44/89/50/572448950.db2.gz KTALNFKCZBQWJO-SECBINFHSA-N 2 1 165.240 0.929 10 0 ACAEMP C[N@@H+](C[C@H]([NH3+])C1CC1)C1CC1 68893830 572449031 /nfs/dbraw/zinc/44/90/31/572449031.db2.gz NTWQURVEWRPDOV-VIFPVBQESA-N 2 1 154.257 0.818 10 0 ACAEMP CCCn1cc[nH+]c1N1CC[C@@H]([NH3+])C1 69031139 572449116 /nfs/dbraw/zinc/44/91/16/572449116.db2.gz QEUBOQNKASUKCI-SECBINFHSA-N 2 1 194.282 0.831 10 0 ACAEMP CCCn1cc[nH+]c1N1CC[C@H]([NH3+])C1 69031134 572449229 /nfs/dbraw/zinc/44/92/29/572449229.db2.gz QEUBOQNKASUKCI-VIFPVBQESA-N 2 1 194.282 0.831 10 0 ACAEMP C[NH2+]C(C)(C)C[NH2+][C@@H]1C[C@@H]1C 61319840 572449321 /nfs/dbraw/zinc/44/93/21/572449321.db2.gz NZWSKUVHQFVRHX-JGVFFNPUSA-N 2 1 156.273 0.982 10 0 ACAEMP Cc1[nH+]ccn1C[C@H]([NH3+])C1CC1 68898444 572449710 /nfs/dbraw/zinc/44/97/10/572449710.db2.gz KTALNFKCZBQWJO-VIFPVBQESA-N 2 1 165.240 0.929 10 0 ACAEMP CC[N@@H+](C)CCNCC[NH+](C)C 53379029 572451086 /nfs/dbraw/zinc/45/10/86/572451086.db2.gz QVHYHGHVHCUSNV-UHFFFAOYSA-N 2 1 173.304 0.089 10 0 ACAEMP CC(C)CCC[NH2+]CC[NH3+] 53380505 572450854 /nfs/dbraw/zinc/45/08/54/572450854.db2.gz GTIIGJVCJJXECH-UHFFFAOYSA-N 2 1 144.262 0.971 10 0 ACAEMP C[N@H+]1CCCC[C@@H]([C@@H]([NH3+])CO)C1 250554264 572451262 /nfs/dbraw/zinc/45/12/62/572451262.db2.gz ATVIRAURSLFEOG-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CC[C@@H](O)C[C@@]2(CCC[NH2+]C2)C1 250553675 572451548 /nfs/dbraw/zinc/45/15/48/572451548.db2.gz ASRJAZFCDWJQPG-GHMZBOCLSA-N 2 1 198.310 0.443 10 0 ACAEMP CC(=O)[C@H]1CCC[N@@H+]1CCC1([NH3+])CC1 74241354 572451853 /nfs/dbraw/zinc/45/18/53/572451853.db2.gz HTKLRJIRNWLAPT-SNVBAGLBSA-N 2 1 196.294 0.921 10 0 ACAEMP CC(=O)[C@H]1CCC[N@H+]1CCC1([NH3+])CC1 74241354 572451860 /nfs/dbraw/zinc/45/18/60/572451860.db2.gz HTKLRJIRNWLAPT-SNVBAGLBSA-N 2 1 196.294 0.921 10 0 ACAEMP C[N@H+]1CCC[C@H]2[C@H](C1)[C@@H]2C[NH3+] 250554285 572451990 /nfs/dbraw/zinc/45/19/90/572451990.db2.gz AUCFLYDKSMVBCG-HLTSFMKQSA-N 2 1 154.257 0.533 10 0 ACAEMP C[N@H+]1CC[C@H](O)C[C@@]2(CCC[NH2+]C2)C1 250553678 572452031 /nfs/dbraw/zinc/45/20/31/572452031.db2.gz ASRJAZFCDWJQPG-WDEREUQCSA-N 2 1 198.310 0.443 10 0 ACAEMP C[C@@H](C[NH3+])[N@@H+]1CCC[C@@H]1CCO 308031129 572452064 /nfs/dbraw/zinc/45/20/64/572452064.db2.gz ZXMMUPJARPLSJU-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@H](C[NH3+])[N@H+]1CCC[C@@H]1CCO 308031129 572452067 /nfs/dbraw/zinc/45/20/67/572452067.db2.gz ZXMMUPJARPLSJU-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP [NH3+]Cc1noc(CC[NH+]2CCCC2)n1 74241723 572452139 /nfs/dbraw/zinc/45/21/39/572452139.db2.gz YSGVLPPVKUTCKW-UHFFFAOYSA-N 2 1 196.254 0.167 10 0 ACAEMP C[NH+](C)[C@@](C)(C[NH3+])CCc1cc[nH]n1 74241072 572452463 /nfs/dbraw/zinc/45/24/63/572452463.db2.gz XFGMTTIOJAKEFZ-SNVBAGLBSA-N 2 1 196.298 0.621 10 0 ACAEMP CCC(C)(C)[NH2+]CC[NH3+] 53380519 572452959 /nfs/dbraw/zinc/45/29/59/572452959.db2.gz JTGMCGLUKQXXHX-UHFFFAOYSA-N 2 1 130.235 0.723 10 0 ACAEMP C[NH+](C)[C@](C)(C[NH3+])CCc1cc[nH]n1 74241073 572453242 /nfs/dbraw/zinc/45/32/42/572453242.db2.gz XFGMTTIOJAKEFZ-JTQLQIEISA-N 2 1 196.298 0.621 10 0 ACAEMP C[N@H+]1CCCC[C@H]([C@@H]([NH3+])CO)C1 250554268 572453407 /nfs/dbraw/zinc/45/34/07/572453407.db2.gz ATVIRAURSLFEOG-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@H](C[NH3+])[N@@H+]1CCC[C@H]1CCO 308031127 572453445 /nfs/dbraw/zinc/45/34/45/572453445.db2.gz ZXMMUPJARPLSJU-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@H](C[NH3+])[N@H+]1CCC[C@H]1CCO 308031127 572453450 /nfs/dbraw/zinc/45/34/50/572453450.db2.gz ZXMMUPJARPLSJU-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@@H+]1CCC[C@H](c2nonc2C[NH3+])C1 74241760 572455895 /nfs/dbraw/zinc/45/58/95/572455895.db2.gz QBDUDRCFMSIQRL-ZETCQYMHSA-N 2 1 196.254 0.338 10 0 ACAEMP C[N@H+]1CCC[C@H](c2nonc2C[NH3+])C1 74241760 572455898 /nfs/dbraw/zinc/45/58/98/572455898.db2.gz QBDUDRCFMSIQRL-ZETCQYMHSA-N 2 1 196.254 0.338 10 0 ACAEMP CC(=O)[C@@H]1CCC[N@@H+]1CCC1([NH3+])CC1 74241352 572454158 /nfs/dbraw/zinc/45/41/58/572454158.db2.gz HTKLRJIRNWLAPT-JTQLQIEISA-N 2 1 196.294 0.921 10 0 ACAEMP C[N@H+]1CCC[C@@H]2[C@H](C[NH3+])[C@H]2C1 250554290 572454213 /nfs/dbraw/zinc/45/42/13/572454213.db2.gz AUCFLYDKSMVBCG-VGMNWLOBSA-N 2 1 154.257 0.533 10 0 ACAEMP CC(=O)[C@@H]1CCC[N@H+]1CCC1([NH3+])CC1 74241352 572454163 /nfs/dbraw/zinc/45/41/63/572454163.db2.gz HTKLRJIRNWLAPT-JTQLQIEISA-N 2 1 196.294 0.921 10 0 ACAEMP FCCC[NH2+]CC[NH2+]CC1CC1 308031041 572454588 /nfs/dbraw/zinc/45/45/88/572454588.db2.gz ZUDBQCPWDUGVTA-UHFFFAOYSA-N 2 1 174.263 0.935 10 0 ACAEMP [NH3+]C[C@@H]1C[N@H+](CCC2CC2)CCO1 83926201 572454808 /nfs/dbraw/zinc/45/48/08/572454808.db2.gz IZNWVEFYKOMPCW-SNVBAGLBSA-N 2 1 184.283 0.446 10 0 ACAEMP [NH3+]C[C@@H]1C[N@@H+](CCC2CC2)CCO1 83926201 572454812 /nfs/dbraw/zinc/45/48/12/572454812.db2.gz IZNWVEFYKOMPCW-SNVBAGLBSA-N 2 1 184.283 0.446 10 0 ACAEMP C[C@H](C[NH3+])[N@@H+]1CCC[C@@H]1CCO 308031132 572455061 /nfs/dbraw/zinc/45/50/61/572455061.db2.gz ZXMMUPJARPLSJU-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@H](C[NH3+])[N@H+]1CCC[C@@H]1CCO 308031132 572455065 /nfs/dbraw/zinc/45/50/65/572455065.db2.gz ZXMMUPJARPLSJU-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@H](C[NH3+])[N@@H+]1CCC[C@H]1CCO 308031131 572455116 /nfs/dbraw/zinc/45/51/16/572455116.db2.gz ZXMMUPJARPLSJU-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@H](C[NH3+])[N@H+]1CCC[C@H]1CCO 308031131 572455119 /nfs/dbraw/zinc/45/51/19/572455119.db2.gz ZXMMUPJARPLSJU-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+]1CCC[C@@H]2[C@H](C[NH3+])[C@@H]2C1 250554288 572455199 /nfs/dbraw/zinc/45/51/99/572455199.db2.gz AUCFLYDKSMVBCG-HRDYMLBCSA-N 2 1 154.257 0.533 10 0 ACAEMP CC[NH2+]CC[NH2+]CCCOCC 53387966 572455441 /nfs/dbraw/zinc/45/54/41/572455441.db2.gz JCKJFZXKRIDAGI-UHFFFAOYSA-N 2 1 174.288 0.612 10 0 ACAEMP C[NH2+]CC[NH2+]CCC(C)C 53387758 572455445 /nfs/dbraw/zinc/45/54/45/572455445.db2.gz VNINTQBPGOGJSG-UHFFFAOYSA-N 2 1 144.262 0.842 10 0 ACAEMP CN1CC[N@H+](CC(C)(C)C)C[C@H]1C[NH3+] 713252176 572456192 /nfs/dbraw/zinc/45/61/92/572456192.db2.gz RCPUBQLSOBCZHA-SNVBAGLBSA-N 2 1 199.342 0.607 10 0 ACAEMP CN1CC[N@@H+](CC(C)(C)C)C[C@H]1C[NH3+] 713252176 572456197 /nfs/dbraw/zinc/45/61/97/572456197.db2.gz RCPUBQLSOBCZHA-SNVBAGLBSA-N 2 1 199.342 0.607 10 0 ACAEMP [NH3+]C[C@H]1C[N@H+](CCC2CC2)CCO1 83926202 572456424 /nfs/dbraw/zinc/45/64/24/572456424.db2.gz IZNWVEFYKOMPCW-JTQLQIEISA-N 2 1 184.283 0.446 10 0 ACAEMP [NH3+]C[C@H]1C[N@@H+](CCC2CC2)CCO1 83926202 572456428 /nfs/dbraw/zinc/45/64/28/572456428.db2.gz IZNWVEFYKOMPCW-JTQLQIEISA-N 2 1 184.283 0.446 10 0 ACAEMP CCC(C)(C)[NH2+]CC[NH2+]C 53387847 572457121 /nfs/dbraw/zinc/45/71/21/572457121.db2.gz DZNPVCMUEADUET-UHFFFAOYSA-N 2 1 144.262 0.984 10 0 ACAEMP CCC[NH2+]CC[NH2+]CCCOC 53388027 572457538 /nfs/dbraw/zinc/45/75/38/572457538.db2.gz VNMKXNNCXVFKCF-UHFFFAOYSA-N 2 1 174.288 0.612 10 0 ACAEMP C[N@@H+]1CCC[C@@H](c2nonc2C[NH3+])C1 74241762 572457151 /nfs/dbraw/zinc/45/71/51/572457151.db2.gz QBDUDRCFMSIQRL-SSDOTTSWSA-N 2 1 196.254 0.338 10 0 ACAEMP C[N@H+]1CCC[C@@H](c2nonc2C[NH3+])C1 74241762 572457155 /nfs/dbraw/zinc/45/71/55/572457155.db2.gz QBDUDRCFMSIQRL-SSDOTTSWSA-N 2 1 196.254 0.338 10 0 ACAEMP CN1CC[N@H+](CC(C)(C)C)C[C@@H]1C[NH3+] 713252143 572457343 /nfs/dbraw/zinc/45/73/43/572457343.db2.gz RCPUBQLSOBCZHA-JTQLQIEISA-N 2 1 199.342 0.607 10 0 ACAEMP CN1CC[N@@H+](CC(C)(C)C)C[C@@H]1C[NH3+] 713252143 572457346 /nfs/dbraw/zinc/45/73/46/572457346.db2.gz RCPUBQLSOBCZHA-JTQLQIEISA-N 2 1 199.342 0.607 10 0 ACAEMP CCC(CC)[NH2+]CC[NH2+]C 53387762 572457758 /nfs/dbraw/zinc/45/77/58/572457758.db2.gz SOMVZZWBMCNHOX-UHFFFAOYSA-N 2 1 144.262 0.984 10 0 ACAEMP COCCC[NH2+]CC[NH2+]C(C)C 53388171 572457886 /nfs/dbraw/zinc/45/78/86/572457886.db2.gz UZAMELZXEJRSJT-UHFFFAOYSA-N 2 1 174.288 0.611 10 0 ACAEMP CC[NH2+]CC[NH2+]CCCOC 53387892 572458363 /nfs/dbraw/zinc/45/83/63/572458363.db2.gz DMBTXDRMKJISSV-UHFFFAOYSA-N 2 1 160.261 0.222 10 0 ACAEMP CCC[C@H]([NH3+])c1nnc(C2C[NH2+]C2)o1 238252057 572458429 /nfs/dbraw/zinc/45/84/29/572458429.db2.gz KSZZJLUGIQRLDO-ZETCQYMHSA-N 2 1 196.254 0.556 10 0 ACAEMP CC[N@H+](CC1CC1)[C@@]1(CN)CCOC1 68946417 572458806 /nfs/dbraw/zinc/45/88/06/572458806.db2.gz UXNPVFJLKVENFA-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP CC[N@@H+](CC1CC1)[C@@]1(CN)CCOC1 68946417 572458812 /nfs/dbraw/zinc/45/88/12/572458812.db2.gz UXNPVFJLKVENFA-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP CC[N@H+](CC1CC1)[C@@]1(C[NH3+])CCOC1 68946417 572458817 /nfs/dbraw/zinc/45/88/17/572458817.db2.gz UXNPVFJLKVENFA-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP CC[N@@H+](CC1CC1)[C@@]1(C[NH3+])CCOC1 68946417 572458820 /nfs/dbraw/zinc/45/88/20/572458820.db2.gz UXNPVFJLKVENFA-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP CC[N@@H+](CCC[NH3+])C1CCOCC1 68955223 572459219 /nfs/dbraw/zinc/45/92/19/572459219.db2.gz BGILYSHNTQYVJX-UHFFFAOYSA-N 2 1 186.299 0.836 10 0 ACAEMP C[NH2+]CC(=O)c1cc[nH]c1C[NH+](C)C 74243645 572459230 /nfs/dbraw/zinc/45/92/30/572459230.db2.gz WQSZJCDNGKCYKE-UHFFFAOYSA-N 2 1 195.266 0.478 10 0 ACAEMP C[NH+](C)CCc1cc(C(=O)C[NH3+])c[nH]1 74243453 572459956 /nfs/dbraw/zinc/45/99/56/572459956.db2.gz JQFFYTJVLSYZAK-UHFFFAOYSA-N 2 1 195.266 0.260 10 0 ACAEMP CC[C@@H]([NH3+])c1nnc2n1CC[N@H+](C)C2 74243441 572460007 /nfs/dbraw/zinc/46/00/07/572460007.db2.gz FRGKDRPEDFWFCL-SSDOTTSWSA-N 2 1 195.270 0.133 10 0 ACAEMP CSC[C@H](C)[NH2+][C@H](C)C[NH3+] 235064726 572460234 /nfs/dbraw/zinc/46/02/34/572460234.db2.gz SZRSSGLHXKWPJX-RQJHMYQMSA-N 2 1 162.302 0.675 10 0 ACAEMP CC[C@H]([NH3+])c1nnc2n1CC[N@H+](C)C2 74243440 572461073 /nfs/dbraw/zinc/46/10/73/572461073.db2.gz FRGKDRPEDFWFCL-ZETCQYMHSA-N 2 1 195.270 0.133 10 0 ACAEMP CSC[C@H](C)[NH2+][C@@H](C)C[NH3+] 235063407 572461739 /nfs/dbraw/zinc/46/17/39/572461739.db2.gz SZRSSGLHXKWPJX-BQBZGAKWSA-N 2 1 162.302 0.675 10 0 ACAEMP C[NH2+]CC(=O)c1c[nH]c(C[NH+](C)C)c1 74243643 572462114 /nfs/dbraw/zinc/46/21/14/572462114.db2.gz DVUQEAHBCBZKRR-UHFFFAOYSA-N 2 1 195.266 0.478 10 0 ACAEMP CCC[C@@H](C[NH3+])[N@@H+]1CCC[C@H]1CO 207450632 572462745 /nfs/dbraw/zinc/46/27/45/572462745.db2.gz ORRYHCSACJTFCP-UWVGGRQHSA-N 2 1 186.299 0.571 10 0 ACAEMP CCC[C@@H](C[NH3+])[N@H+]1CCC[C@H]1CO 207450632 572462749 /nfs/dbraw/zinc/46/27/49/572462749.db2.gz ORRYHCSACJTFCP-UWVGGRQHSA-N 2 1 186.299 0.571 10 0 ACAEMP CSCC[N@H+]1CC[C@@H](C[NH3+])C1 69012180 572462870 /nfs/dbraw/zinc/46/28/70/572462870.db2.gz QRHMHJSZLXXRPZ-QMMMGPOBSA-N 2 1 174.313 0.630 10 0 ACAEMP C[C@@H]1C[N@H+](C2CC[NH2+]CC2)CCCO1 61918611 572463926 /nfs/dbraw/zinc/46/39/26/572463926.db2.gz IIPHUVQKGZCYLW-SNVBAGLBSA-N 2 1 198.310 0.849 10 0 ACAEMP C[C@H]1C[N@@H+]([C@@H](C[NH3+])C2CC2)CCCO1 61915211 572463813 /nfs/dbraw/zinc/46/38/13/572463813.db2.gz KDQJBYURETXMFS-ONGXEEELSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@H]1C[N@H+]([C@@H](C[NH3+])C2CC2)CCCO1 61915211 572463818 /nfs/dbraw/zinc/46/38/18/572463818.db2.gz KDQJBYURETXMFS-ONGXEEELSA-N 2 1 198.310 0.835 10 0 ACAEMP CSCC[N@H+]1CC[C@H](C[NH3+])C1 69012179 572463905 /nfs/dbraw/zinc/46/39/05/572463905.db2.gz QRHMHJSZLXXRPZ-MRVPVSSYSA-N 2 1 174.313 0.630 10 0 ACAEMP C[C@H](CC(N)=[NH2+])[N@H+]1CCCOCC1 61919012 572464544 /nfs/dbraw/zinc/46/45/44/572464544.db2.gz YFRQAYNAJDEVIA-MRVPVSSYSA-N 2 1 185.271 0.423 10 0 ACAEMP C[C@H]1C[N@H+](C2CC[NH2+]CC2)CCCO1 61918612 572464627 /nfs/dbraw/zinc/46/46/27/572464627.db2.gz IIPHUVQKGZCYLW-JTQLQIEISA-N 2 1 198.310 0.849 10 0 ACAEMP CC(C)[C@@H](C[NH3+])[N@@H+]1CCCOCC1 61916568 572464686 /nfs/dbraw/zinc/46/46/86/572464686.db2.gz NRGOEJMDGJINFA-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)[C@@H](C[NH3+])[N@H+]1CCCOCC1 61916568 572464692 /nfs/dbraw/zinc/46/46/92/572464692.db2.gz NRGOEJMDGJINFA-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CCCOCC1 61919011 572465374 /nfs/dbraw/zinc/46/53/74/572465374.db2.gz YFRQAYNAJDEVIA-QMMMGPOBSA-N 2 1 185.271 0.423 10 0 ACAEMP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CC2)CCCO1 61915203 572465074 /nfs/dbraw/zinc/46/50/74/572465074.db2.gz KDQJBYURETXMFS-KOLCDFICSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CC2)CCCO1 61915203 572465080 /nfs/dbraw/zinc/46/50/80/572465080.db2.gz KDQJBYURETXMFS-KOLCDFICSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@H]1C[N@@H+]([C@@H](C)CC(N)=[NH2+])CCCO1 61918987 572465201 /nfs/dbraw/zinc/46/52/01/572465201.db2.gz DZGAJMGHNWOLAW-IUCAKERBSA-N 2 1 199.298 0.812 10 0 ACAEMP C[C@@](C[NH3+])(C1CC1)[N@@H+]1CCCOCC1 61916429 572465535 /nfs/dbraw/zinc/46/55/35/572465535.db2.gz FRYHLAIVDIEUQW-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP C[C@@](C[NH3+])(C1CC1)[N@H+]1CCCOCC1 61916429 572465542 /nfs/dbraw/zinc/46/55/42/572465542.db2.gz FRYHLAIVDIEUQW-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CCCOCC1 61917685 572465761 /nfs/dbraw/zinc/46/57/61/572465761.db2.gz RUHBKYQDVISCQL-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCCOCC1 61917685 572465764 /nfs/dbraw/zinc/46/57/64/572465764.db2.gz RUHBKYQDVISCQL-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCOCC1 61917683 572465814 /nfs/dbraw/zinc/46/58/14/572465814.db2.gz RUHBKYQDVISCQL-ZJUUUORDSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCCOCC1 61917683 572465817 /nfs/dbraw/zinc/46/58/17/572465817.db2.gz RUHBKYQDVISCQL-ZJUUUORDSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCCOCC1 61917684 572465887 /nfs/dbraw/zinc/46/58/87/572465887.db2.gz RUHBKYQDVISCQL-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@@H]([NH3+])[C@@H](C)[N@H+]1CCCOCC1 61917684 572465890 /nfs/dbraw/zinc/46/58/90/572465890.db2.gz 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BVXYQOBODKLOAL-QWRGUYRKSA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2cn[nH]c2)C1 250560148 572479916 /nfs/dbraw/zinc/47/99/16/572479916.db2.gz CGFLAYVXLXXOJF-VHSXEESVSA-N 2 1 194.282 0.231 10 0 ACAEMP CCC[NH2+]C[C@H](C)[NH2+]C 53493237 572477711 /nfs/dbraw/zinc/47/77/11/572477711.db2.gz LWKLIZBZKBSZFR-ZETCQYMHSA-N 2 1 130.235 0.594 10 0 ACAEMP C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H](O)[C@H]2C1 250558634 572477715 /nfs/dbraw/zinc/47/77/15/572477715.db2.gz BTROVSIDPFNQJL-LPEHRKFASA-N 2 1 184.283 0.051 10 0 ACAEMP C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H](O)[C@H]2C1 250558634 572477719 /nfs/dbraw/zinc/47/77/19/572477719.db2.gz BTROVSIDPFNQJL-LPEHRKFASA-N 2 1 184.283 0.051 10 0 ACAEMP COC1CC([NH2+][C@H]2CC[NH2+]C2)C1 234740624 572477811 /nfs/dbraw/zinc/47/78/11/572477811.db2.gz CVUCWNNCQSTURH-UEJVZZJDSA-N 2 1 170.256 0.115 10 0 ACAEMP C[C@H](C[NH+](C)C)NC[C@@H](C)[NH+](C)C 34296006 572477974 /nfs/dbraw/zinc/47/79/74/572477974.db2.gz PBOYBONNBLXQQY-NXEZZACHSA-N 2 1 187.331 0.476 10 0 ACAEMP C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]2C1 250557722 572477993 /nfs/dbraw/zinc/47/79/93/572477993.db2.gz BPCJPXZVHVWCBN-UWVGGRQHSA-N 2 1 168.284 0.938 10 0 ACAEMP CC[C@@H]1CC[N@@H+](CCNC(N)=[NH2+])C1 238263269 572478260 /nfs/dbraw/zinc/47/82/60/572478260.db2.gz QEGOOMZSWLMWBC-MRVPVSSYSA-N 2 1 184.287 0.201 10 0 ACAEMP [NH3+][C@H]1CCN([C@H]2CC[N@H+](C3CC3)C2)C1 44725399 572478362 /nfs/dbraw/zinc/47/83/62/572478362.db2.gz CTYNTGWPGNVZGI-ONGXEEELSA-N 2 1 195.310 0.256 10 0 ACAEMP CCC[NH2+][C@H](C)C[NH2+]C 53493530 572478611 /nfs/dbraw/zinc/47/86/11/572478611.db2.gz NMVLBZWHYMVKAT-SSDOTTSWSA-N 2 1 130.235 0.594 10 0 ACAEMP C[N@H+]1CCC[C@]2(C[C@@H]([NH3+])CS2)C1 250629643 572478793 /nfs/dbraw/zinc/47/87/93/572478793.db2.gz QVTKVECSVPGDSR-BDAKNGLRSA-N 2 1 186.324 0.915 10 0 ACAEMP CC[NH2+]C[C@H](C)[NH2+]C1CC1 53493733 572478921 /nfs/dbraw/zinc/47/89/21/572478921.db2.gz ADPSTNYFEGHARA-ZETCQYMHSA-N 2 1 142.246 0.736 10 0 ACAEMP CC[NH2+]C[C@@H](C)[NH2+]CC 53493421 572479042 /nfs/dbraw/zinc/47/90/42/572479042.db2.gz VECZPMZNUKYYOJ-SSDOTTSWSA-N 2 1 130.235 0.594 10 0 ACAEMP C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]2C1 250565582 572479207 /nfs/dbraw/zinc/47/92/07/572479207.db2.gz DEVMBJIFOUCPAK-IUCAKERBSA-N 2 1 154.257 0.548 10 0 ACAEMP C[N@H+]1CCC[C@@]2(C[C@@H]([NH3+])CS2)C1 250629646 572479233 /nfs/dbraw/zinc/47/92/33/572479233.db2.gz QVTKVECSVPGDSR-RKDXNWHRSA-N 2 1 186.324 0.915 10 0 ACAEMP C[N@H+]1CCC[C@@H]1CC[C@@H](O)C[NH3+] 250567327 572479318 /nfs/dbraw/zinc/47/93/18/572479318.db2.gz DLXUOPKOHQPIJC-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[NH+](C)CC[C@@H]1CC[N@@H+](C)C[C@@H]1C[NH3+] 250559945 572479385 /nfs/dbraw/zinc/47/93/85/572479385.db2.gz CEPNAORENCIBMG-MNOVXSKESA-N 3 1 199.342 0.465 10 0 ACAEMP C[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccn2)C1 250561716 572479543 /nfs/dbraw/zinc/47/95/43/572479543.db2.gz COQCWXGOUFSJBS-UWVGGRQHSA-N 2 1 191.278 0.686 10 0 ACAEMP C[N@H+]1CC[C@@H]2[C@H](C[NH3+])[C@@H]2C1 250567308 572479663 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/nfs/dbraw/zinc/48/12/89/572481289.db2.gz CLXKTMMKWADZRT-GHMZBOCLSA-N 2 1 198.310 0.835 10 0 ACAEMP CN(C)[C@H]1C[N@H+](C)CC[C@H]1CCC[NH3+] 250563066 572481563 /nfs/dbraw/zinc/48/15/63/572481563.db2.gz CUVCCOZRCFQGBE-MNOVXSKESA-N 2 1 199.342 0.607 10 0 ACAEMP CN(C)[C@H]1C[N@@H+](C)CC[C@H]1CCC[NH3+] 250563066 572481566 /nfs/dbraw/zinc/48/15/66/572481566.db2.gz CUVCCOZRCFQGBE-MNOVXSKESA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@H+]1CCC[C@H](O[C@H]2CCC[NH2+]C2)C1 250568864 572481631 /nfs/dbraw/zinc/48/16/31/572481631.db2.gz DPKRVEFKYYNAAK-QWRGUYRKSA-N 2 1 198.310 0.849 10 0 ACAEMP CN(C)[C@@H]1CCC[N@@H+](C)[C@@H]1CCC[NH3+] 250568113 572481654 /nfs/dbraw/zinc/48/16/54/572481654.db2.gz DNIUXWRMHSOBQP-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP CN1CCC[C@@H]([NH+](C)C)[C@H]1CCC[NH3+] 250568113 572481656 /nfs/dbraw/zinc/48/16/56/572481656.db2.gz DNIUXWRMHSOBQP-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP C[N@@H+]1CC[C@@H]2C[NH2+]CC[C@@H]2CC1 250579178 572481863 /nfs/dbraw/zinc/48/18/63/572481863.db2.gz FSQJRZNJAKCBDD-NXEZZACHSA-N 2 1 168.284 0.938 10 0 ACAEMP C[N@H+]1CCC[C@H]1CC[C@@H](O)C[NH3+] 250567324 572481902 /nfs/dbraw/zinc/48/19/02/572481902.db2.gz DLXUOPKOHQPIJC-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP CO[C@@H](C)C[N@@H+](C)CC1C[NH2+]C1 308041195 572482020 /nfs/dbraw/zinc/48/20/20/572482020.db2.gz NIVQHCFHNUOFTG-QMMMGPOBSA-N 2 1 172.272 0.173 10 0 ACAEMP C[N@H+]1CC[C@@H]2CC[NH2+]C[C@H]2CC1 250579180 572482172 /nfs/dbraw/zinc/48/21/72/572482172.db2.gz FSQJRZNJAKCBDD-VHSXEESVSA-N 2 1 168.284 0.938 10 0 ACAEMP CN(C)[C@H]1CCC[N@@H+](C)[C@@H]1CCC[NH3+] 250568114 572482190 /nfs/dbraw/zinc/48/21/90/572482190.db2.gz DNIUXWRMHSOBQP-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CN1CCC[C@H]([NH+](C)C)[C@H]1CCC[NH3+] 250568114 572482193 /nfs/dbraw/zinc/48/21/93/572482193.db2.gz DNIUXWRMHSOBQP-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1C1CC[NH2+]CC1 250569144 572482203 /nfs/dbraw/zinc/48/22/03/572482203.db2.gz DQROPBIANCAHQA-GHMZBOCLSA-N 3 1 197.326 0.265 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@H]([NH3+])CCCO)C1 250572867 572482309 /nfs/dbraw/zinc/48/23/09/572482309.db2.gz FBKJLRCJNYTVQV-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@H+]1C[C@H](CC[NH3+])[C@@H]2CSC[C@@H]21 250578407 572482343 /nfs/dbraw/zinc/48/23/43/572482343.db2.gz FRRTZKGHOJUJAN-CIUDSAMLSA-N 2 1 186.324 0.628 10 0 ACAEMP C[N@H+]1CC[C@@H]2C[C@@H](C[NH3+])C[C@H]21 250579219 572483237 /nfs/dbraw/zinc/48/32/37/572483237.db2.gz FSZJOOPFACBVPC-IWSPIJDZSA-N 2 1 154.257 0.675 10 0 ACAEMP C[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccn2)C1 250561718 572483128 /nfs/dbraw/zinc/48/31/28/572483128.db2.gz COQCWXGOUFSJBS-ZJUUUORDSA-N 2 1 191.278 0.686 10 0 ACAEMP C[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]2C1 250565579 572483147 /nfs/dbraw/zinc/48/31/47/572483147.db2.gz DEVMBJIFOUCPAK-BDAKNGLRSA-N 2 1 154.257 0.548 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2cn[nH]c2)C1 250560147 572483377 /nfs/dbraw/zinc/48/33/77/572483377.db2.gz CGFLAYVXLXXOJF-UWVGGRQHSA-N 2 1 194.282 0.231 10 0 ACAEMP CO[C@H](C)C[N@@H+](C)CC1C[NH2+]C1 308041188 572483425 /nfs/dbraw/zinc/48/34/25/572483425.db2.gz NIVQHCFHNUOFTG-MRVPVSSYSA-N 2 1 172.272 0.173 10 0 ACAEMP C[N@H+]1C[C@H](CC[NH3+])[C@@H]2CSC[C@H]21 250578412 572483463 /nfs/dbraw/zinc/48/34/63/572483463.db2.gz FRRTZKGHOJUJAN-XHNCKOQMSA-N 2 1 186.324 0.628 10 0 ACAEMP C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCN1C 250584793 572485646 /nfs/dbraw/zinc/48/56/46/572485646.db2.gz HVLWMLOSGIEAHT-NSHDSACASA-N 2 1 199.342 0.478 10 0 ACAEMP C[N@H+]1C[C@H]([NH3+])CC[C@H]1[C@H]1CCOC1 250571995 572483721 /nfs/dbraw/zinc/48/37/21/572483721.db2.gz DYPHIQDIXFUQDK-AEJSXWLSSA-N 2 1 184.283 0.444 10 0 ACAEMP C[NH+](C)CCC[C@@H]1[C@@H](C[NH3+])CC[N@H+]1C 250575417 572483827 /nfs/dbraw/zinc/48/38/27/572483827.db2.gz FIPNIHSROXDZIG-GHMZBOCLSA-N 3 1 199.342 0.607 10 0 ACAEMP C[N@@H+]1C[C@H]([NH3+])[C@H](C2CC2)C1 250583110 572485989 /nfs/dbraw/zinc/48/59/89/572485989.db2.gz GFPZTONKVISKKM-YUMQZZPRSA-N 2 1 140.230 0.285 10 0 ACAEMP C[N@H+]1CC[C@H](CC[NH3+])[C@@H]2COC[C@H]21 250580269 572484092 /nfs/dbraw/zinc/48/40/92/572484092.db2.gz FYDDBQWKWCRQNV-LPEHRKFASA-N 2 1 184.283 0.302 10 0 ACAEMP CN1C[C@@H]([NH3+])CC[C@@H]1[C@H]1CC[N@@H+](C)C1 250583037 572484195 /nfs/dbraw/zinc/48/41/95/572484195.db2.gz GFHDSCCQNNJESQ-GARJFASQSA-N 2 1 197.326 0.360 10 0 ACAEMP C[N@H+]1CC[C@H](CC[C@@H](O)C[NH3+])C1 250590330 572484159 /nfs/dbraw/zinc/48/41/59/572484159.db2.gz HISMPLPUZJWUNP-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@H]1c1ccco1 250631248 572485026 /nfs/dbraw/zinc/48/50/26/572485026.db2.gz RDPLMUMFLSFIRP-QRYDPKPESA-N 2 1 178.235 0.839 10 0 ACAEMP CN1CC[C@H]([NH3+])C[C@H]1[C@H]1CC[N@@H+](C)C1 250585010 572484416 /nfs/dbraw/zinc/48/44/16/572484416.db2.gz GLIUDXWFLRIXBN-DCAQKATOSA-N 2 1 197.326 0.360 10 0 ACAEMP CN1CC[C@@H]([NH3+])C[C@@H]1[C@H]1CC[N@@H+](C)C1 250585015 572484440 /nfs/dbraw/zinc/48/44/40/572484440.db2.gz GLIUDXWFLRIXBN-HBNTYKKESA-N 2 1 197.326 0.360 10 0 ACAEMP C[N@H+]1CCC[C@H](O)[C@@H](CCC[NH3+])C1 250588359 572484519 /nfs/dbraw/zinc/48/45/19/572484519.db2.gz GZFBWIAVUYVXJA-UWVGGRQHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1C[C@@H](O)C[NH3+] 250591023 572484565 /nfs/dbraw/zinc/48/45/65/572484565.db2.gz HMRKQVCUMWVGDY-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+]1CC[C@H](CC[NH3+])[C@@H]2COCC[C@@H]21 250591005 572484608 /nfs/dbraw/zinc/48/46/08/572484608.db2.gz HMEZMJDCOLXLOI-DCAQKATOSA-N 2 1 198.310 0.692 10 0 ACAEMP C[N@H+]1CC[C@H](CC[NH3+])[C@H]2COC[C@H]21 250580266 572484677 /nfs/dbraw/zinc/48/46/77/572484677.db2.gz FYDDBQWKWCRQNV-IVZWLZJFSA-N 2 1 184.283 0.302 10 0 ACAEMP CC[N@@H+]1C[C@H](CC[NH3+])N(C)C[C@@H](C)C1 250353549 572484820 /nfs/dbraw/zinc/48/48/20/572484820.db2.gz RSXDESKAMHUBAJ-MNOVXSKESA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@H]1c1ccco1 250631248 572485021 /nfs/dbraw/zinc/48/50/21/572485021.db2.gz RDPLMUMFLSFIRP-QRYDPKPESA-N 2 1 178.235 0.839 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])CCCO)C1 250589152 572485063 /nfs/dbraw/zinc/48/50/63/572485063.db2.gz HEHJHBNFNXJYRS-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1C[C@H]2[C@@H](C1)[C@@]21CC[NH2+]C1 250594073 572485132 /nfs/dbraw/zinc/48/51/32/572485132.db2.gz IDYGDSMEWLSCSJ-BRPSZJMVSA-N 2 1 152.241 0.158 10 0 ACAEMP C[N@H+]1CCC[C@H](CCC[NH3+])[C@@H](O)C1 250583100 572485203 /nfs/dbraw/zinc/48/52/03/572485203.db2.gz GFOWELGXEZCHGO-UWVGGRQHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@H+]1CCC[C@@H](CCC[NH3+])[C@@H](O)C1 250583103 572485252 /nfs/dbraw/zinc/48/52/52/572485252.db2.gz GFOWELGXEZCHGO-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]2CCOC[C@H]21 250586710 572485328 /nfs/dbraw/zinc/48/53/28/572485328.db2.gz GSYVVIITYJDSJF-OUAUKWLOSA-N 2 1 198.310 0.692 10 0 ACAEMP C[N@H+]1CC[C@@H]([NH3+])[C@H]1C1CC1 250593722 572485361 /nfs/dbraw/zinc/48/53/61/572485361.db2.gz ICEHMPQKWIIWSO-HTQZYQBOSA-N 2 1 140.230 0.428 10 0 ACAEMP C[N@H+]1CC[C@H](CC[NH3+])[C@@H]2COC[C@@H]21 250580261 572485392 /nfs/dbraw/zinc/48/53/92/572485392.db2.gz FYDDBQWKWCRQNV-GUBZILKMSA-N 2 1 184.283 0.302 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])[C@H]1C1CC1 250593723 572485409 /nfs/dbraw/zinc/48/54/09/572485409.db2.gz ICEHMPQKWIIWSO-JGVFFNPUSA-N 2 1 140.230 0.428 10 0 ACAEMP C[N@H+]1CCC[C@@H](O)[C@@H](CCC[NH3+])C1 250588362 572485506 /nfs/dbraw/zinc/48/55/06/572485506.db2.gz GZFBWIAVUYVXJA-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@H+]1CC[C@]2(COCC[C@H]2C[NH3+])C1 250587672 572485583 /nfs/dbraw/zinc/48/55/83/572485583.db2.gz GXSYTOQAOQBAIY-VHSXEESVSA-N 2 1 184.283 0.304 10 0 ACAEMP C[N@H+]1CCCC[C@H]1C[C@@H](O)C[NH3+] 250591022 572485586 /nfs/dbraw/zinc/48/55/86/572485586.db2.gz HMRKQVCUMWVGDY-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCN1C 250584793 572485643 /nfs/dbraw/zinc/48/56/43/572485643.db2.gz HVLWMLOSGIEAHT-NSHDSACASA-N 2 1 199.342 0.478 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H](O)C[NH3+])CC1 250586903 572485674 /nfs/dbraw/zinc/48/56/74/572485674.db2.gz GTTIYSDHYCSNFY-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP CC(C)C[N@H+]1CCN(C)[C@@H](CC[NH3+])C1 250584839 572485742 /nfs/dbraw/zinc/48/57/42/572485742.db2.gz HYIZWLMNFRRDOL-NSHDSACASA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@H+]1CC[C@H]2C[C@@]2(C[NH3+])C1 250592548 572485816 /nfs/dbraw/zinc/48/58/16/572485816.db2.gz HUYFFXDUQMPOIS-JGVFFNPUSA-N 2 1 140.230 0.287 10 0 ACAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@H]1C1CC1 250581199 572485840 /nfs/dbraw/zinc/48/58/40/572485840.db2.gz GBNATQCVSXNORK-UYXSQOIJSA-N 2 1 152.241 0.284 10 0 ACAEMP C[N@H+]1C[C@H]([NH3+])[C@H](C2CC2)C1 250583110 572485995 /nfs/dbraw/zinc/48/59/95/572485995.db2.gz GFPZTONKVISKKM-YUMQZZPRSA-N 2 1 140.230 0.285 10 0 ACAEMP C[N@H+]1CCC[C@@H](O)[C@@]2(CC[NH2+]C2)C1 250591537 572486148 /nfs/dbraw/zinc/48/61/48/572486148.db2.gz HODABOVIDUIZLR-NXEZZACHSA-N 2 1 184.283 0.053 10 0 ACAEMP CN1CC[C@H]([NH3+])C[C@@H]1[C@H]1CC[N@@H+](C)C1 250585013 572486362 /nfs/dbraw/zinc/48/63/62/572486362.db2.gz GLIUDXWFLRIXBN-GARJFASQSA-N 2 1 197.326 0.360 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])CCCO)C1 250589155 572486426 /nfs/dbraw/zinc/48/64/26/572486426.db2.gz HEHJHBNFNXJYRS-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CC[C@H](CC[NH3+])[C@@H]2COCC[C@H]21 250591006 572486472 /nfs/dbraw/zinc/48/64/72/572486472.db2.gz HMEZMJDCOLXLOI-GARJFASQSA-N 2 1 198.310 0.692 10 0 ACAEMP CC[N@@H+]1C[C@@H](C[NH2+]C)N(C)C[C@H]1C 250353869 572486476 /nfs/dbraw/zinc/48/64/76/572486476.db2.gz RUGYSFHPXVRQFB-NXEZZACHSA-N 2 1 185.315 0.230 10 0 ACAEMP CC[N@H+]1C[C@@H](C[NH2+]C)N(C)C[C@H]1C 250353869 572486479 /nfs/dbraw/zinc/48/64/79/572486479.db2.gz RUGYSFHPXVRQFB-NXEZZACHSA-N 2 1 185.315 0.230 10 0 ACAEMP CC[N@@H+]1C[C@H](C[NH2+]C)N(C)C[C@H]1C 250353872 572486494 /nfs/dbraw/zinc/48/64/94/572486494.db2.gz RUGYSFHPXVRQFB-ZJUUUORDSA-N 2 1 185.315 0.230 10 0 ACAEMP CC[N@H+]1C[C@H](C[NH2+]C)N(C)C[C@H]1C 250353872 572486496 /nfs/dbraw/zinc/48/64/96/572486496.db2.gz RUGYSFHPXVRQFB-ZJUUUORDSA-N 2 1 185.315 0.230 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@H](O)C[NH3+])CC1 250586899 572486822 /nfs/dbraw/zinc/48/68/22/572486822.db2.gz GTTIYSDHYCSNFY-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[NH2+][C@@H]1CC[N@@H+](C)CC[C@H]1CO 250630571 572487145 /nfs/dbraw/zinc/48/71/45/572487145.db2.gz LFWRNFAEZJZMJC-VHSXEESVSA-N 2 1 186.299 0.299 10 0 ACAEMP C[N@H+]1CCC[C@H](O)[C@@]2(CC[NH2+]C2)C1 250591538 572487329 /nfs/dbraw/zinc/48/73/29/572487329.db2.gz HODABOVIDUIZLR-VHSXEESVSA-N 2 1 184.283 0.053 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])C[C@H]1C1CCOCC1 250580962 572487551 /nfs/dbraw/zinc/48/75/51/572487551.db2.gz FZFKYMFOTGKNMO-QWRGUYRKSA-N 2 1 198.310 0.835 10 0 ACAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]2CCOC[C@@H]21 250586714 572487639 /nfs/dbraw/zinc/48/76/39/572487639.db2.gz GSYVVIITYJDSJF-VWYCJHECSA-N 2 1 198.310 0.692 10 0 ACAEMP C[N@H+]1CC[C@@H](CC[C@@H](O)C[NH3+])C1 250590332 572487649 /nfs/dbraw/zinc/48/76/49/572487649.db2.gz HISMPLPUZJWUNP-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@@H](C)C1=[NH+]CCN1CC[NH3+] 238261945 572487676 /nfs/dbraw/zinc/48/76/76/572487676.db2.gz SEXLWSZNVPHKGL-MRVPVSSYSA-N 2 1 169.272 0.705 10 0 ACAEMP C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@@H]1c1ccco1 250631247 572487694 /nfs/dbraw/zinc/48/76/94/572487694.db2.gz RDPLMUMFLSFIRP-NORCUCSASA-N 2 1 178.235 0.839 10 0 ACAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@@H]1c1ccco1 250631247 572487698 /nfs/dbraw/zinc/48/76/98/572487698.db2.gz RDPLMUMFLSFIRP-NORCUCSASA-N 2 1 178.235 0.839 10 0 ACAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C1CCOCC1 250580957 572487794 /nfs/dbraw/zinc/48/77/94/572487794.db2.gz FZFKYMFOTGKNMO-MNOVXSKESA-N 2 1 198.310 0.835 10 0 ACAEMP CC(C)C[N@H+]1C[C@H]2[C@H]([NH3+])[C@H]2C1 250590589 572487925 /nfs/dbraw/zinc/48/79/25/572487925.db2.gz KKOOEZSVIFJCPT-BRPSZJMVSA-N 2 1 154.257 0.531 10 0 ACAEMP CC[N@H+]1C[C@@H](C)CN(C)[C@@H](CC[NH3+])C1 250353552 572487977 /nfs/dbraw/zinc/48/79/77/572487977.db2.gz RSXDESKAMHUBAJ-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@H+]1CC[C@@]2(COCC[C@H]2C[NH3+])C1 250587667 572488059 /nfs/dbraw/zinc/48/80/59/572488059.db2.gz GXSYTOQAOQBAIY-UWVGGRQHSA-N 2 1 184.283 0.304 10 0 ACAEMP C[N@H+]1CC[C@H](CC[NH3+])[C@H]2COCC[C@H]21 250591007 572488117 /nfs/dbraw/zinc/48/81/17/572488117.db2.gz HMEZMJDCOLXLOI-HBNTYKKESA-N 2 1 198.310 0.692 10 0 ACAEMP CN1C[C@H]([NH3+])CC[C@@H]1[C@H]1CC[N@@H+](C)C1 250583042 572488123 /nfs/dbraw/zinc/48/81/23/572488123.db2.gz GFHDSCCQNNJESQ-HBNTYKKESA-N 2 1 197.326 0.360 10 0 ACAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@@H]1C1CC1 250581196 572488281 /nfs/dbraw/zinc/48/82/81/572488281.db2.gz GBNATQCVSXNORK-KZVJFYERSA-N 2 1 152.241 0.284 10 0 ACAEMP CC[NH2+][C@H]1CC[N@@H+](C)CC[C@H]1CO 250630569 572488352 /nfs/dbraw/zinc/48/83/52/572488352.db2.gz LFWRNFAEZJZMJC-UWVGGRQHSA-N 2 1 186.299 0.299 10 0 ACAEMP CN1C[C@H]([NH3+])CC[C@H]1[C@H]1CC[N@@H+](C)C1 250583035 572488377 /nfs/dbraw/zinc/48/83/77/572488377.db2.gz GFHDSCCQNNJESQ-AXFHLTTASA-N 2 1 197.326 0.360 10 0 ACAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]2CCOC[C@H]21 250586708 572488415 /nfs/dbraw/zinc/48/84/15/572488415.db2.gz GSYVVIITYJDSJF-GMTAPVOTSA-N 2 1 198.310 0.692 10 0 ACAEMP C[NH+]1CC[C@@H](C[NH3+])[C@H]2C[N@@H+](C)CC[C@H]21 250606793 572489468 /nfs/dbraw/zinc/48/94/68/572489468.db2.gz LNHHRLAWDKZAEU-HBNTYKKESA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@H](C1)[C@H](C[NH3+])CC[N@@H+]2C 250606793 572489472 /nfs/dbraw/zinc/48/94/72/572489472.db2.gz LNHHRLAWDKZAEU-HBNTYKKESA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@H](C1)[C@H](C[NH3+])CC[N@H+]2C 250606793 572489474 /nfs/dbraw/zinc/48/94/74/572489474.db2.gz LNHHRLAWDKZAEU-HBNTYKKESA-N 3 1 197.326 0.217 10 0 ACAEMP CCOC[C@@H]([NH3+])Cc1cc[nH+]c(N)c1 84063881 572488780 /nfs/dbraw/zinc/48/87/80/572488780.db2.gz MKZRGGPMCWEEMQ-VIFPVBQESA-N 2 1 195.266 0.570 10 0 ACAEMP CCOC[C@@H]([NH2+]C)c1c[nH+]ccc1N 84064108 572488905 /nfs/dbraw/zinc/48/89/05/572488905.db2.gz ABVHSOXSEZNURW-SNVBAGLBSA-N 2 1 195.266 0.961 10 0 ACAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]2COCC[C@H]21 250608101 572489068 /nfs/dbraw/zinc/48/90/68/572489068.db2.gz LXCZVSCITPJEDI-GMTAPVOTSA-N 2 1 198.310 0.692 10 0 ACAEMP C[N@H+]1CC[C@@H](O)[C@@H](CCC[NH3+])C1 250594995 572489090 /nfs/dbraw/zinc/48/90/90/572489090.db2.gz ILISKUHVJDLACM-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CCC[C@H]([NH3+])[C@H]1C1CC1 250596018 572489239 /nfs/dbraw/zinc/48/92/39/572489239.db2.gz IRSGZWKRYXMLDJ-DTWKUNHWSA-N 2 1 154.257 0.818 10 0 ACAEMP C[NH+]1CC[C@H](C[NH3+])[C@H]2C[N@@H+](C)CC[C@H]21 250606790 572489252 /nfs/dbraw/zinc/48/92/52/572489252.db2.gz LNHHRLAWDKZAEU-GMTAPVOTSA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@H](C1)[C@@H](C[NH3+])CC[N@@H+]2C 250606790 572489253 /nfs/dbraw/zinc/48/92/53/572489253.db2.gz LNHHRLAWDKZAEU-GMTAPVOTSA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@H](C1)[C@@H](C[NH3+])CC[N@H+]2C 250606790 572489257 /nfs/dbraw/zinc/48/92/57/572489257.db2.gz LNHHRLAWDKZAEU-GMTAPVOTSA-N 3 1 197.326 0.217 10 0 ACAEMP C[C@@H](CC[NH3+])[N@H+]1CC[C@@](C)(O)C1 235083885 572489277 /nfs/dbraw/zinc/48/92/77/572489277.db2.gz JQJGUDLPYVKQMJ-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP CCOC[C@H]([NH3+])Cc1cc[nH+]c(N)c1 84063879 572489326 /nfs/dbraw/zinc/48/93/26/572489326.db2.gz MKZRGGPMCWEEMQ-SECBINFHSA-N 2 1 195.266 0.570 10 0 ACAEMP C[N@H+]1CC[C@H](CCC[NH3+])[C@@H](O)C1 250595452 572489350 /nfs/dbraw/zinc/48/93/50/572489350.db2.gz IPIMZIQBJPFHJH-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H](C[NH3+])N2CCC2)C1 250609547 572489569 /nfs/dbraw/zinc/48/95/69/572489569.db2.gz MGTOBRSXKWQXOX-QWRGUYRKSA-N 2 1 197.326 0.361 10 0 ACAEMP COC[C@](C[NH3+])(C1CC1)[NH+](C)C 87482209 572489369 /nfs/dbraw/zinc/48/93/69/572489369.db2.gz FMWNBGVXJQQRNW-SECBINFHSA-N 2 1 172.272 0.302 10 0 ACAEMP CN1CC[C@H]([C@H]2CC[N@@H+](C)C2)[C@@H]([NH3+])C1 250604156 572489418 /nfs/dbraw/zinc/48/94/18/572489418.db2.gz KUTZOVGFARHGAG-AXFHLTTASA-N 2 1 197.326 0.217 10 0 ACAEMP COC[C@@](C[NH3+])(C1CC1)[NH+]1CCCC1 87482081 572489644 /nfs/dbraw/zinc/48/96/44/572489644.db2.gz BSHNZGPKMWDEFN-NSHDSACASA-N 2 1 198.310 0.836 10 0 ACAEMP COC[C@@H]([NH2+]CC[NH3+])C(C)C 87478975 572489829 /nfs/dbraw/zinc/48/98/29/572489829.db2.gz QYYRLSZWYGFSTI-MRVPVSSYSA-N 2 1 160.261 0.206 10 0 ACAEMP CC(C)C[N@@H+]1CCCN(C)[C@@H](C[NH3+])C1 250596714 572489783 /nfs/dbraw/zinc/48/97/83/572489783.db2.gz OFRDEVANOMZADO-NSHDSACASA-N 2 1 199.342 0.607 10 0 ACAEMP CC(C)C[N@H+]1CCCN(C)[C@@H](C[NH3+])C1 250596714 572489786 /nfs/dbraw/zinc/48/97/86/572489786.db2.gz OFRDEVANOMZADO-NSHDSACASA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1[C@H]1CCC[NH2+]C1 250604144 572489890 /nfs/dbraw/zinc/48/98/90/572489890.db2.gz KURVAWYCXLCGBY-VWYCJHECSA-N 3 1 197.326 0.265 10 0 ACAEMP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1[C@H]1CCC[NH2+]C1 250604144 572489884 /nfs/dbraw/zinc/48/98/84/572489884.db2.gz KURVAWYCXLCGBY-VWYCJHECSA-N 3 1 197.326 0.265 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1[C@H]1CCOC1 250631393 572489963 /nfs/dbraw/zinc/48/99/63/572489963.db2.gz RFPCCHNYPWJWGX-LPEHRKFASA-N 2 1 184.283 0.444 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])C2CCOCC2)C1 250603538 572490217 /nfs/dbraw/zinc/49/02/17/572490217.db2.gz KQKXPWMFMWZPPD-MNOVXSKESA-N 2 1 198.310 0.692 10 0 ACAEMP CCOC[C@H]([NH3+])c1c[nH+]ccc1N 84063670 572490221 /nfs/dbraw/zinc/49/02/21/572490221.db2.gz IBYZERQNHOPFLC-VIFPVBQESA-N 2 1 181.239 0.700 10 0 ACAEMP C[C@@H](C1CCOCC1)[N@@H+]1CC[C@@H]([NH3+])C1 235089002 572490053 /nfs/dbraw/zinc/49/00/53/572490053.db2.gz PPVIQHFYOBMWMK-GXSJLCMTSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H](C1CCOCC1)[N@H+]1CC[C@@H]([NH3+])C1 235089002 572490057 /nfs/dbraw/zinc/49/00/57/572490057.db2.gz PPVIQHFYOBMWMK-GXSJLCMTSA-N 2 1 198.310 0.835 10 0 ACAEMP CCOC[C@@H]([NH3+])c1c[nH+]ccc1N 84063672 572490082 /nfs/dbraw/zinc/49/00/82/572490082.db2.gz IBYZERQNHOPFLC-SECBINFHSA-N 2 1 181.239 0.700 10 0 ACAEMP CN1CCC[C@@H](C[NH3+])[C@H]2C[N@@H+](C)C[C@H]21 250606239 572490188 /nfs/dbraw/zinc/49/01/88/572490188.db2.gz LIHOJRDLRGYYOU-HBNTYKKESA-N 2 1 197.326 0.217 10 0 ACAEMP CN1C[C@H]2[C@@H](C1)[N@H+](C)CCC[C@H]2C[NH3+] 250606239 572490191 /nfs/dbraw/zinc/49/01/91/572490191.db2.gz LIHOJRDLRGYYOU-HBNTYKKESA-N 2 1 197.326 0.217 10 0 ACAEMP CN1C[C@H]2[C@@H](C1)[N@@H+](C)CCC[C@H]2C[NH3+] 250606239 572490195 /nfs/dbraw/zinc/49/01/95/572490195.db2.gz LIHOJRDLRGYYOU-HBNTYKKESA-N 2 1 197.326 0.217 10 0 ACAEMP COC[C@](C[NH3+])(C1CC1)[NH+]1CCCC1 87482082 572490473 /nfs/dbraw/zinc/49/04/73/572490473.db2.gz BSHNZGPKMWDEFN-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP COC[C@H]([NH2+]CC[NH3+])C(C)C 87478978 572490587 /nfs/dbraw/zinc/49/05/87/572490587.db2.gz QYYRLSZWYGFSTI-QMMMGPOBSA-N 2 1 160.261 0.206 10 0 ACAEMP C[NH+](C)CCC[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C 250598422 572490660 /nfs/dbraw/zinc/49/06/60/572490660.db2.gz JJJXQKFTXHGQCR-VHSXEESVSA-N 3 1 185.315 0.360 10 0 ACAEMP C[NH+](C)CCC[C@@H]1[C@@H]([NH3+])CC[N@H+]1C 250598422 572490663 /nfs/dbraw/zinc/49/06/63/572490663.db2.gz JJJXQKFTXHGQCR-VHSXEESVSA-N 3 1 185.315 0.360 10 0 ACAEMP C[N@H+]1CCCN(C2CC2)[C@@H](CC[NH3+])C1 250596849 572490694 /nfs/dbraw/zinc/49/06/94/572490694.db2.gz IWIGYOPFYDDSPK-NSHDSACASA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@@H+]1CC[C@H]([NH2+]C2CC2)[C@H](CO)CC1 250607672 572490701 /nfs/dbraw/zinc/49/07/01/572490701.db2.gz LTGCJNWDTJAHOG-ONGXEEELSA-N 2 1 198.310 0.441 10 0 ACAEMP COC[C@@](C[NH3+])(C1CC1)[NH+](C)C 87482207 572490702 /nfs/dbraw/zinc/49/07/02/572490702.db2.gz FMWNBGVXJQQRNW-VIFPVBQESA-N 2 1 172.272 0.302 10 0 ACAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]2COCC[C@@H]21 250608105 572490715 /nfs/dbraw/zinc/49/07/15/572490715.db2.gz LXCZVSCITPJEDI-VWYCJHECSA-N 2 1 198.310 0.692 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1[C@H]1CCCOC1 250598215 572490740 /nfs/dbraw/zinc/49/07/40/572490740.db2.gz JHAZAVXUDURMFZ-OUAUKWLOSA-N 2 1 198.310 0.692 10 0 ACAEMP C[NH+](C)CCC[C@@H]1[C@H]([NH3+])CC[N@@H+]1C 250598420 572490852 /nfs/dbraw/zinc/49/08/52/572490852.db2.gz JJJXQKFTXHGQCR-NXEZZACHSA-N 3 1 185.315 0.360 10 0 ACAEMP C[NH+](C)CCC[C@@H]1[C@H]([NH3+])CC[N@H+]1C 250598420 572490857 /nfs/dbraw/zinc/49/08/57/572490857.db2.gz JJJXQKFTXHGQCR-NXEZZACHSA-N 3 1 185.315 0.360 10 0 ACAEMP C[N@H+]1CCC[C@H]1C[C@@]1(CO)CCC[NH2+]1 250602460 572490877 /nfs/dbraw/zinc/49/08/77/572490877.db2.gz KLGCGLYLJSKHLL-WDEREUQCSA-N 2 1 198.310 0.585 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H](C[NH3+])C2CC2)C1 250600483 572490945 /nfs/dbraw/zinc/49/09/45/572490945.db2.gz JXDMOINESHOJJW-VHSXEESVSA-N 2 1 168.284 0.923 10 0 ACAEMP C[N@H+]1CC[C@H](O)[C@@H](CCC[NH3+])C1 250594997 572490971 /nfs/dbraw/zinc/49/09/71/572490971.db2.gz ILISKUHVJDLACM-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CC[C@H](O)[C@@H](CCC[NH3+])CC1 250594831 572491100 /nfs/dbraw/zinc/49/11/00/572491100.db2.gz IJVRGYQEHNBWQI-UWVGGRQHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1[C@@H]1CCCOC1 250598212 572491132 /nfs/dbraw/zinc/49/11/32/572491132.db2.gz JHAZAVXUDURMFZ-MXWKQRLJSA-N 2 1 198.310 0.692 10 0 ACAEMP CN1CC[C@@H]2[C@H](CC[NH3+])C[N@@H+](C)[C@H]2C1 250598236 572491158 /nfs/dbraw/zinc/49/11/58/572491158.db2.gz JHDXDDMRVVEJQG-MXWKQRLJSA-N 2 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@H](CC[NH3+])C[N@@H+](C)[C@H]2C1 250598236 572491161 /nfs/dbraw/zinc/49/11/61/572491161.db2.gz JHDXDDMRVVEJQG-MXWKQRLJSA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@H](CC[NH3+])C[N@H+](C)[C@H]2C1 250598236 572491167 /nfs/dbraw/zinc/49/11/67/572491167.db2.gz JHDXDDMRVVEJQG-MXWKQRLJSA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1C[C@@H](CC[NH3+])[C@H]2CC[N@H+](C)C[C@@H]21 250598236 572491170 /nfs/dbraw/zinc/49/11/70/572491170.db2.gz JHDXDDMRVVEJQG-MXWKQRLJSA-N 3 1 197.326 0.217 10 0 ACAEMP CC[N@H+](C)[C@](C[NH3+])(COC)C1CC1 87482253 572491301 /nfs/dbraw/zinc/49/13/01/572491301.db2.gz STPRQFKHBVVVOZ-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP CC[N@@H+](C)[C@](C[NH3+])(COC)C1CC1 87482253 572491308 /nfs/dbraw/zinc/49/13/08/572491308.db2.gz STPRQFKHBVVVOZ-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP COC[C@@](C[NH3+])(C(C)C)[NH+](C)C 87482205 572491343 /nfs/dbraw/zinc/49/13/43/572491343.db2.gz ZIYOFNRJDRAQRC-VIFPVBQESA-N 2 1 174.288 0.548 10 0 ACAEMP C[N@H+]1CCC[C@@H]1[C@H](C[NH3+])N1CCCC1 250608591 572491359 /nfs/dbraw/zinc/49/13/59/572491359.db2.gz MASBQKZVQSZHNX-MNOVXSKESA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1[C@@H]1CCC[NH2+]C1 250604137 572491384 /nfs/dbraw/zinc/49/13/84/572491384.db2.gz KURVAWYCXLCGBY-MXWKQRLJSA-N 3 1 197.326 0.265 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1[C@@H]1CCC[NH2+]C1 250604137 572491389 /nfs/dbraw/zinc/49/13/89/572491389.db2.gz KURVAWYCXLCGBY-MXWKQRLJSA-N 3 1 197.326 0.265 10 0 ACAEMP C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C1CC1 250596019 572491446 /nfs/dbraw/zinc/49/14/46/572491446.db2.gz IRSGZWKRYXMLDJ-RKDXNWHRSA-N 2 1 154.257 0.818 10 0 ACAEMP CN1CC[C@H]([C@H]2CC[N@@H+](C)C2)[C@H]([NH3+])C1 250604161 572491489 /nfs/dbraw/zinc/49/14/89/572491489.db2.gz KUTZOVGFARHGAG-HBNTYKKESA-N 2 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@H](C[NH3+])[C@@H]2C[N@@H+](C)CC[C@H]21 250606796 572491562 /nfs/dbraw/zinc/49/15/62/572491562.db2.gz LNHHRLAWDKZAEU-OUAUKWLOSA-N 3 1 197.326 0.217 10 0 ACAEMP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1[C@H]1CCC[NH2+]C1 250604140 572491672 /nfs/dbraw/zinc/49/16/72/572491672.db2.gz KURVAWYCXLCGBY-OUAUKWLOSA-N 3 1 197.326 0.265 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@@H](C1)[C@@H](C[NH3+])CC[N@@H+]2C 250606796 572491567 /nfs/dbraw/zinc/49/15/67/572491567.db2.gz LNHHRLAWDKZAEU-OUAUKWLOSA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@@H](C1)[C@@H](C[NH3+])CC[N@H+]2C 250606796 572491570 /nfs/dbraw/zinc/49/15/70/572491570.db2.gz LNHHRLAWDKZAEU-OUAUKWLOSA-N 3 1 197.326 0.217 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1[C@H]1CCC[NH2+]C1 250604140 572491677 /nfs/dbraw/zinc/49/16/77/572491677.db2.gz KURVAWYCXLCGBY-OUAUKWLOSA-N 3 1 197.326 0.265 10 0 ACAEMP C[C@@H](CC[NH3+])N1CC[N@@H+](C)C[C@@H]1C 235083682 572491831 /nfs/dbraw/zinc/49/18/31/572491831.db2.gz WKUOCOYEGSBURR-UWVGGRQHSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@@H](CC[NH3+])[N@@H+]1CCN(C)C[C@@H]1C 235083682 572491834 /nfs/dbraw/zinc/49/18/34/572491834.db2.gz WKUOCOYEGSBURR-UWVGGRQHSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@@H](CC[NH3+])[N@H+]1CCN(C)C[C@@H]1C 235083682 572491841 /nfs/dbraw/zinc/49/18/41/572491841.db2.gz WKUOCOYEGSBURR-UWVGGRQHSA-N 2 1 185.315 0.360 10 0 ACAEMP CN1CC[C@H]([C@@H]2CC[N@@H+](C)C2)[C@@H]([NH3+])C1 250604164 572491905 /nfs/dbraw/zinc/49/19/05/572491905.db2.gz KUTZOVGFARHGAG-MXWKQRLJSA-N 2 1 197.326 0.217 10 0 ACAEMP CC[N@H+](C)[C@@](C[NH3+])(COC)C(C)C 87482245 572491945 /nfs/dbraw/zinc/49/19/45/572491945.db2.gz FQGCGCUKPLTDIJ-JTQLQIEISA-N 2 1 188.315 0.938 10 0 ACAEMP CC[N@@H+](C)[C@@](C[NH3+])(COC)C(C)C 87482245 572491956 /nfs/dbraw/zinc/49/19/56/572491956.db2.gz FQGCGCUKPLTDIJ-JTQLQIEISA-N 2 1 188.315 0.938 10 0 ACAEMP CC(C)C[N@H+]1CC[C@H]([C@@H]([NH3+])CO)C1 250601242 572491963 /nfs/dbraw/zinc/49/19/63/572491963.db2.gz RQHALQJWXPMXLE-UWVGGRQHSA-N 2 1 186.299 0.284 10 0 ACAEMP C[N@@H+]1CC[C@@H]([NH2+]C2CC2)[C@@H](CO)C1 250594632 572492008 /nfs/dbraw/zinc/49/20/08/572492008.db2.gz IIWWFLBDEJBDQK-PSASIEDQSA-N 2 1 184.283 0.051 10 0 ACAEMP C[N@H+]1CC[C@@H]([NH2+]C2CC2)[C@@H](CO)C1 250594632 572492011 /nfs/dbraw/zinc/49/20/11/572492011.db2.gz IIWWFLBDEJBDQK-PSASIEDQSA-N 2 1 184.283 0.051 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]2CSC[C@H]21 250600082 572492022 /nfs/dbraw/zinc/49/20/22/572492022.db2.gz JTRFAXHIGKYFGZ-HRDYMLBCSA-N 2 1 186.324 0.628 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@H](C[NH3+])N2CCC2)C1 250609546 572492050 /nfs/dbraw/zinc/49/20/50/572492050.db2.gz MGTOBRSXKWQXOX-MNOVXSKESA-N 2 1 197.326 0.361 10 0 ACAEMP C[N@H+]1CC[C@H](CO)[C@@H]([NH2+]C2CC2)CC1 250607670 572492057 /nfs/dbraw/zinc/49/20/57/572492057.db2.gz LTGCJNWDTJAHOG-KOLCDFICSA-N 2 1 198.310 0.441 10 0 ACAEMP CN1CC[C@H]2[C@@H](C1)[N@H+](C)C[C@@H]2CC[NH3+] 250598233 572492130 /nfs/dbraw/zinc/49/21/30/572492130.db2.gz JHDXDDMRVVEJQG-HBNTYKKESA-N 2 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@H]2[C@@H](C1)[N@H+](C)C[C@@H]2CC[NH3+] 250598233 572492131 /nfs/dbraw/zinc/49/21/31/572492131.db2.gz JHDXDDMRVVEJQG-HBNTYKKESA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@H]2[C@@H](C1)[N@@H+](C)C[C@@H]2CC[NH3+] 250598233 572492135 /nfs/dbraw/zinc/49/21/35/572492135.db2.gz JHDXDDMRVVEJQG-HBNTYKKESA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1C[C@H](CC[NH3+])[C@H]2CC[N@H+](C)C[C@H]21 250598233 572492136 /nfs/dbraw/zinc/49/21/36/572492136.db2.gz JHDXDDMRVVEJQG-HBNTYKKESA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1C[C@H](CC[NH3+])[C@H]2CC[N@@H+](C)C[C@H]21 250598233 572492140 /nfs/dbraw/zinc/49/21/40/572492140.db2.gz JHDXDDMRVVEJQG-HBNTYKKESA-N 3 1 197.326 0.217 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1CC[C@@H](O)C[NH3+] 250600913 572492418 /nfs/dbraw/zinc/49/24/18/572492418.db2.gz JZKQWFKIDQRTEK-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[N@@H+]1C[C@H]([NH3+])C[C@H]([C@H]2CCOC2)C1 250597311 572492437 /nfs/dbraw/zinc/49/24/37/572492437.db2.gz JARYESKSYQLRCW-LPEHRKFASA-N 2 1 184.283 0.302 10 0 ACAEMP C[N@H+]1C[C@H]([NH3+])C[C@H]([C@H]2CCOC2)C1 250597311 572492439 /nfs/dbraw/zinc/49/24/39/572492439.db2.gz JARYESKSYQLRCW-LPEHRKFASA-N 2 1 184.283 0.302 10 0 ACAEMP COC[C@](C[NH3+])(C(C)C)[NH+](C)C 87482203 572492543 /nfs/dbraw/zinc/49/25/43/572492543.db2.gz ZIYOFNRJDRAQRC-SECBINFHSA-N 2 1 174.288 0.548 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H](C[NH3+])N2CCCC2)C1 250597396 572492630 /nfs/dbraw/zinc/49/26/30/572492630.db2.gz JCDHVSHAZUDMRK-QWRGUYRKSA-N 2 1 197.326 0.361 10 0 ACAEMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H](O)C2)CC1 250604965 572492654 /nfs/dbraw/zinc/49/26/54/572492654.db2.gz KZJIZVALDISOTB-WDEREUQCSA-N 2 1 198.310 0.537 10 0 ACAEMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H](O)C2)CC1 250604965 572492657 /nfs/dbraw/zinc/49/26/57/572492657.db2.gz KZJIZVALDISOTB-WDEREUQCSA-N 2 1 198.310 0.537 10 0 ACAEMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H](O)C2)CC1 250604965 572492662 /nfs/dbraw/zinc/49/26/62/572492662.db2.gz KZJIZVALDISOTB-WDEREUQCSA-N 2 1 198.310 0.537 10 0 ACAEMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@H](O)C2)CC1 250604962 572492719 /nfs/dbraw/zinc/49/27/19/572492719.db2.gz KZJIZVALDISOTB-GHMZBOCLSA-N 2 1 198.310 0.537 10 0 ACAEMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@H](O)C2)CC1 250604962 572492720 /nfs/dbraw/zinc/49/27/20/572492720.db2.gz KZJIZVALDISOTB-GHMZBOCLSA-N 2 1 198.310 0.537 10 0 ACAEMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@H](O)C2)CC1 250604962 572492724 /nfs/dbraw/zinc/49/27/24/572492724.db2.gz KZJIZVALDISOTB-GHMZBOCLSA-N 2 1 198.310 0.537 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])C2CCOCC2)C1 250603541 572492792 /nfs/dbraw/zinc/49/27/92/572492792.db2.gz KQKXPWMFMWZPPD-QWRGUYRKSA-N 2 1 198.310 0.692 10 0 ACAEMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CC=CCC1 84067731 572492834 /nfs/dbraw/zinc/49/28/34/572492834.db2.gz CVUUQPFVQHTSKT-MNOVXSKESA-N 2 1 198.310 0.607 10 0 ACAEMP C[N@H+]1CC[C@H](O)[C@H](CCC[NH3+])CC1 250594837 572492848 /nfs/dbraw/zinc/49/28/48/572492848.db2.gz IJVRGYQEHNBWQI-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP CC[N@H+](C)[C@@](C[NH3+])(COC)C1CC1 87482250 572492872 /nfs/dbraw/zinc/49/28/72/572492872.db2.gz STPRQFKHBVVVOZ-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP C[N@H+]1C[C@H]([C@@H]2CCOC2)C[C@@H]([NH3+])C1 250597313 572492874 /nfs/dbraw/zinc/49/28/74/572492874.db2.gz JARYESKSYQLRCW-OPRDCNLKSA-N 2 1 184.283 0.302 10 0 ACAEMP CC[N@@H+](C)[C@@](C[NH3+])(COC)C1CC1 87482250 572492875 /nfs/dbraw/zinc/49/28/75/572492875.db2.gz STPRQFKHBVVVOZ-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP C[N@@H+]1C[C@H]([C@@H]2CCOC2)C[C@@H]([NH3+])C1 250597313 572492877 /nfs/dbraw/zinc/49/28/77/572492877.db2.gz JARYESKSYQLRCW-OPRDCNLKSA-N 2 1 184.283 0.302 10 0 ACAEMP C[N@@H+]1C[C@H]([NH3+])C[C@H]([C@@H]2CCOC2)C1 250597309 572492884 /nfs/dbraw/zinc/49/28/84/572492884.db2.gz JARYESKSYQLRCW-KXUCPTDWSA-N 2 1 184.283 0.302 10 0 ACAEMP C[N@H+]1C[C@H]([NH3+])C[C@H]([C@@H]2CCOC2)C1 250597309 572492886 /nfs/dbraw/zinc/49/28/86/572492886.db2.gz JARYESKSYQLRCW-KXUCPTDWSA-N 2 1 184.283 0.302 10 0 ACAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC=CCC1 84067729 572492903 /nfs/dbraw/zinc/49/29/03/572492903.db2.gz CVUUQPFVQHTSKT-GHMZBOCLSA-N 2 1 198.310 0.607 10 0 ACAEMP CN1CC[C@H]([C@@H]2CC[N@@H+](C)C2)[C@H]([NH3+])C1 250604158 572492928 /nfs/dbraw/zinc/49/29/28/572492928.db2.gz KUTZOVGFARHGAG-GMTAPVOTSA-N 2 1 197.326 0.217 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@@H](CC[NH3+])C[N@@H+](C)[C@H]2C1 250598231 572493581 /nfs/dbraw/zinc/49/35/81/572493581.db2.gz JHDXDDMRVVEJQG-AXFHLTTASA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC=CCC1 84067724 572493076 /nfs/dbraw/zinc/49/30/76/572493076.db2.gz CVUUQPFVQHTSKT-WDEREUQCSA-N 2 1 198.310 0.607 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]2CSC[C@H]21 250600084 572493119 /nfs/dbraw/zinc/49/31/19/572493119.db2.gz JTRFAXHIGKYFGZ-IWSPIJDZSA-N 2 1 186.324 0.628 10 0 ACAEMP CC(C)C[N@H+]1CC[C@@H]([C@@H]([NH3+])CO)C1 250601245 572493169 /nfs/dbraw/zinc/49/31/69/572493169.db2.gz RQHALQJWXPMXLE-ZJUUUORDSA-N 2 1 186.299 0.284 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]2CSC[C@@H]21 250600086 572493283 /nfs/dbraw/zinc/49/32/83/572493283.db2.gz JTRFAXHIGKYFGZ-VGMNWLOBSA-N 2 1 186.324 0.628 10 0 ACAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]2COCC[C@H]21 250608103 572493454 /nfs/dbraw/zinc/49/34/54/572493454.db2.gz LXCZVSCITPJEDI-OUAUKWLOSA-N 2 1 198.310 0.692 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1[C@H]1CCCOC1 250598217 572493478 /nfs/dbraw/zinc/49/34/78/572493478.db2.gz JHAZAVXUDURMFZ-VWYCJHECSA-N 2 1 198.310 0.692 10 0 ACAEMP C[N@H+]1C[C@H]([C@H]2CCOC2)C[C@@H]([NH3+])C1 250597307 572493523 /nfs/dbraw/zinc/49/35/23/572493523.db2.gz JARYESKSYQLRCW-IVZWLZJFSA-N 2 1 184.283 0.302 10 0 ACAEMP C[N@@H+]1C[C@H]([C@H]2CCOC2)C[C@@H]([NH3+])C1 250597307 572493528 /nfs/dbraw/zinc/49/35/28/572493528.db2.gz JARYESKSYQLRCW-IVZWLZJFSA-N 2 1 184.283 0.302 10 0 ACAEMP C[N@H+]1CC[C@@H](CCC[NH3+])[C@@H](O)C1 250595449 572493534 /nfs/dbraw/zinc/49/35/34/572493534.db2.gz IPIMZIQBJPFHJH-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP CN1CC[C@@H]2[C@@H](CC[NH3+])C[N@@H+](C)[C@H]2C1 250598231 572493577 /nfs/dbraw/zinc/49/35/77/572493577.db2.gz JHDXDDMRVVEJQG-AXFHLTTASA-N 2 1 197.326 0.217 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@H](C[NH3+])N2CCCC2)C1 250597395 572493552 /nfs/dbraw/zinc/49/35/52/572493552.db2.gz JCDHVSHAZUDMRK-MNOVXSKESA-N 2 1 197.326 0.361 10 0 ACAEMP C[N@H+]1CCCC[C@H]1CC[C@@H](O)C[NH3+] 250600914 572493569 /nfs/dbraw/zinc/49/35/69/572493569.db2.gz JZKQWFKIDQRTEK-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@@H](CC[NH3+])C[N@H+](C)[C@H]2C1 250598231 572493584 /nfs/dbraw/zinc/49/35/84/572493584.db2.gz JHDXDDMRVVEJQG-AXFHLTTASA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1C[C@H](CC[NH3+])[C@H]2CC[N@H+](C)C[C@@H]21 250598231 572493590 /nfs/dbraw/zinc/49/35/90/572493590.db2.gz JHDXDDMRVVEJQG-AXFHLTTASA-N 3 1 197.326 0.217 10 0 ACAEMP C[NH+]1C[C@H](CC[NH3+])[C@H]2CC[N@@H+](C)C[C@@H]21 250598231 572493595 /nfs/dbraw/zinc/49/35/95/572493595.db2.gz JHDXDDMRVVEJQG-AXFHLTTASA-N 3 1 197.326 0.217 10 0 ACAEMP CC[C@H](C)[N@H+]1CCO[C@@H](CC[NH3+])C1 238267897 572493668 /nfs/dbraw/zinc/49/36/68/572493668.db2.gz RKIRGNGFDFYFAJ-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[N@H+](C)[C@](C[NH3+])(COC)C(C)C 87482248 572493766 /nfs/dbraw/zinc/49/37/66/572493766.db2.gz FQGCGCUKPLTDIJ-SNVBAGLBSA-N 2 1 188.315 0.938 10 0 ACAEMP CC[N@@H+](C)[C@](C[NH3+])(COC)C(C)C 87482248 572493770 /nfs/dbraw/zinc/49/37/70/572493770.db2.gz FQGCGCUKPLTDIJ-SNVBAGLBSA-N 2 1 188.315 0.938 10 0 ACAEMP CC(C)CN1CCC[N@H+](C)C[C@H]1C[NH3+] 250609312 572493886 /nfs/dbraw/zinc/49/38/86/572493886.db2.gz YMRDZJQFKZWWSR-LLVKDONJSA-N 2 1 199.342 0.607 10 0 ACAEMP CC(C)CN1CCC[N@@H+](C)C[C@H]1C[NH3+] 250609312 572493888 /nfs/dbraw/zinc/49/38/88/572493888.db2.gz YMRDZJQFKZWWSR-LLVKDONJSA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])C[C@H]1[C@@H]1CCOC1 250631397 572493901 /nfs/dbraw/zinc/49/39/01/572493901.db2.gz RFPCCHNYPWJWGX-UTLUCORTSA-N 2 1 184.283 0.444 10 0 ACAEMP CN1CCC[C@H](C[NH3+])[C@H]2C[N@@H+](C)C[C@H]21 250606237 572494054 /nfs/dbraw/zinc/49/40/54/572494054.db2.gz LIHOJRDLRGYYOU-GMTAPVOTSA-N 2 1 197.326 0.217 10 0 ACAEMP CN1C[C@@H]2[C@@H](C[NH3+])CCC[N@@H+](C)[C@@H]2C1 250606237 572494057 /nfs/dbraw/zinc/49/40/57/572494057.db2.gz LIHOJRDLRGYYOU-GMTAPVOTSA-N 2 1 197.326 0.217 10 0 ACAEMP CN1C[C@@H]2[C@@H](C[NH3+])CCC[N@H+](C)[C@@H]2C1 250606237 572494059 /nfs/dbraw/zinc/49/40/59/572494059.db2.gz LIHOJRDLRGYYOU-GMTAPVOTSA-N 2 1 197.326 0.217 10 0 ACAEMP C[N@H+]1CCC[C@@H]1C[C@@]1(CO)CCC[NH2+]1 250602459 572494069 /nfs/dbraw/zinc/49/40/69/572494069.db2.gz KLGCGLYLJSKHLL-GHMZBOCLSA-N 2 1 198.310 0.585 10 0 ACAEMP C[N@H+]1C[C@H](C[NH3+])[C@H]2CSC[C@H]21 250627208 572495007 /nfs/dbraw/zinc/49/50/07/572495007.db2.gz QKEFZZCKSFJBGL-XLPZGREQSA-N 2 1 172.297 0.238 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])C[C@H]1[C@H]1CCOC1 250631389 572494240 /nfs/dbraw/zinc/49/42/40/572494240.db2.gz RFPCCHNYPWJWGX-GUBZILKMSA-N 2 1 184.283 0.444 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@H](C[NH3+])C2CC2)C1 250600481 572494307 /nfs/dbraw/zinc/49/43/07/572494307.db2.gz JXDMOINESHOJJW-NXEZZACHSA-N 2 1 168.284 0.923 10 0 ACAEMP C[N@@H+]1C[C@H](c2cccnc2)[C@H](C[NH3+])C1 250599698 572494361 /nfs/dbraw/zinc/49/43/61/572494361.db2.gz JRRFNYMHFPLSEQ-GHMZBOCLSA-N 2 1 191.278 0.686 10 0 ACAEMP C[N@H+]1C[C@H](C[NH3+])[C@@H](c2cccnc2)C1 250599699 572494394 /nfs/dbraw/zinc/49/43/94/572494394.db2.gz JRRFNYMHFPLSEQ-WDEREUQCSA-N 2 1 191.278 0.686 10 0 ACAEMP CCC[C@@H]1CC[N@@H+](CCNC(N)=[NH2+])C1 238268987 572494513 /nfs/dbraw/zinc/49/45/13/572494513.db2.gz DDBAMSFGMSVEQS-SECBINFHSA-N 2 1 198.314 0.591 10 0 ACAEMP C[N@H+]1CCC[C@@H]1CC[C@@H]([NH3+])CO 250616640 572495016 /nfs/dbraw/zinc/49/50/16/572495016.db2.gz OBZXENIRITYFMD-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP COC[C@@](C[NH3+])(C1CC1)[N@H+](C)C1CC1 87482276 572494651 /nfs/dbraw/zinc/49/46/51/572494651.db2.gz XCNOCNOPCRGDLI-NSHDSACASA-N 2 1 198.310 0.835 10 0 ACAEMP COC[C@@](C[NH3+])(C1CC1)[N@@H+](C)C1CC1 87482276 572494657 /nfs/dbraw/zinc/49/46/57/572494657.db2.gz XCNOCNOPCRGDLI-NSHDSACASA-N 2 1 198.310 0.835 10 0 ACAEMP C[N@H+]1CCC[C@H]1CC[C@@H]([NH3+])CO 250616637 572495031 /nfs/dbraw/zinc/49/50/31/572495031.db2.gz OBZXENIRITYFMD-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+]1CC[C@@H]2C[C@H](C[NH3+])C[C@H]2C1 250617950 572494936 /nfs/dbraw/zinc/49/49/36/572494936.db2.gz OLFJGVGKZBVVRW-AEJSXWLSSA-N 2 1 168.284 0.923 10 0 ACAEMP C[N@H+]1C[C@H](CC[NH3+])[C@@H]2CCOC[C@H]21 250625927 572494984 /nfs/dbraw/zinc/49/49/84/572494984.db2.gz QCJIIJJJBSKJNL-LPEHRKFASA-N 2 1 184.283 0.302 10 0 ACAEMP C[N@H+]1CCC[C@H](CC[C@@H]([NH3+])CO)C1 250627807 572495060 /nfs/dbraw/zinc/49/50/60/572495060.db2.gz QNPBQKDTCUAEDS-NXEZZACHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[NH+]1CC[C@@H]2[C@@H](C[NH3+])C[N@@H+](C)C[C@H]2C1 250612070 572496042 /nfs/dbraw/zinc/49/60/42/572496042.db2.gz MXKPCUJYEJGZPA-HBNTYKKESA-N 3 1 197.326 0.075 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]2COCC[C@H]21 250623343 572495124 /nfs/dbraw/zinc/49/51/24/572495124.db2.gz PRKJWSZMOKVUNP-OPRDCNLKSA-N 2 1 184.283 0.302 10 0 ACAEMP C[N@H+]1CCC[C@H](CC[NH3+])[C@@H](O)C1 250620983 572495260 /nfs/dbraw/zinc/49/52/60/572495260.db2.gz PFGRCQROOPAUAA-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CC=CCC1 84067727 572495361 /nfs/dbraw/zinc/49/53/61/572495361.db2.gz CVUUQPFVQHTSKT-QWRGUYRKSA-N 2 1 198.310 0.607 10 0 ACAEMP C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]2C1 250618967 572495411 /nfs/dbraw/zinc/49/54/11/572495411.db2.gz OSSIGSCHTXWBDP-DTWKUNHWSA-N 2 1 154.257 0.690 10 0 ACAEMP C[N@H+]1C[C@H](C[NH3+])[C@@H]2CSC[C@@H]21 250627205 572495422 /nfs/dbraw/zinc/49/54/22/572495422.db2.gz QKEFZZCKSFJBGL-FXQIFTODSA-N 2 1 172.297 0.238 10 0 ACAEMP C[N@H+]1CCC[C@@H](CC[NH3+])[C@@H](O)C1 250620984 572495618 /nfs/dbraw/zinc/49/56/18/572495618.db2.gz PFGRCQROOPAUAA-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CC[C@@H]2CC[NH2+]C[C@H]2C1 250615549 572495625 /nfs/dbraw/zinc/49/56/25/572495625.db2.gz NVEYGMACJJYFHF-IUCAKERBSA-N 2 1 154.257 0.548 10 0 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250983058 572537180 /nfs/dbraw/zinc/53/71/80/572537180.db2.gz BOLRAPLYTCHEEL-MXWKQRLJSA-N 2 1 198.310 0.571 10 0 ACAEMP C[NH2+][C@@H]1CCC[C@H]([N@H+]2CC[C@@H](O)C2)C1 250787399 572536504 /nfs/dbraw/zinc/53/65/04/572536504.db2.gz ZVYFFYSIAACQFX-OUAUKWLOSA-N 2 1 198.310 0.584 10 0 ACAEMP [NH3+][C@@]1(CO)CC[N@H+]2CCCC[C@@H]2C1 250793892 572536548 /nfs/dbraw/zinc/53/65/48/572536548.db2.gz ABXWHAHGRHNBMU-ZJUUUORDSA-N 2 1 184.283 0.325 10 0 ACAEMP [NH3+]C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2CO)C1 250987017 572537345 /nfs/dbraw/zinc/53/73/45/572537345.db2.gz CADUKJYYXAZXIT-MXWKQRLJSA-N 2 1 198.310 0.571 10 0 ACAEMP [NH3+]C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](O)C2)C1 250983066 572537429 /nfs/dbraw/zinc/53/74/29/572537429.db2.gz BOLRAPLYTCHEEL-VWYCJHECSA-N 2 1 198.310 0.571 10 0 ACAEMP [NH3+]C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2CO)C1 250987024 572537495 /nfs/dbraw/zinc/53/74/95/572537495.db2.gz CADUKJYYXAZXIT-VWYCJHECSA-N 2 1 198.310 0.571 10 0 ACAEMP OC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]1 250985997 572537511 /nfs/dbraw/zinc/53/75/11/572537511.db2.gz BXPQPDWLWIJLFY-QWRGUYRKSA-N 2 1 198.310 0.585 10 0 ACAEMP [NH3+]C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2CO)C1 250987013 572537573 /nfs/dbraw/zinc/53/75/73/572537573.db2.gz CADUKJYYXAZXIT-GMTAPVOTSA-N 2 1 198.310 0.571 10 0 ACAEMP [NH3+]C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](O)C2)C1 250983054 572537685 /nfs/dbraw/zinc/53/76/85/572537685.db2.gz BOLRAPLYTCHEEL-GMTAPVOTSA-N 2 1 198.310 0.571 10 0 ACAEMP C[C@H]1C[C@]([NH3+])(CO)C[C@@H](C)[N@@H+]1C 250914721 572538031 /nfs/dbraw/zinc/53/80/31/572538031.db2.gz WMANCTJOLTVAQA-BRPSZJMVSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H]1C[C@]([NH3+])(CO)C[C@@H](C)[N@H+]1C 250914721 572538034 /nfs/dbraw/zinc/53/80/34/572538034.db2.gz WMANCTJOLTVAQA-BRPSZJMVSA-N 2 1 172.272 0.179 10 0 ACAEMP CC[NH2+]CC(C)(C)[NH2+]C[C@@H](C)OC 313213349 572538136 /nfs/dbraw/zinc/53/81/36/572538136.db2.gz TWQDQFONHFNITP-SECBINFHSA-N 2 1 188.315 0.999 10 0 ACAEMP C[C@H]1C[C@]([NH3+])(CCO)C[C@@H](C)[N@H+]1C 250911723 572538171 /nfs/dbraw/zinc/53/81/71/572538171.db2.gz VGHXQSDJODDUDW-MYJAWHEDSA-N 2 1 186.299 0.569 10 0 ACAEMP C[C@H]1C[C@@H]([C@H](O)C[NH3+])C[C@@H](C)[N@H+]1C 250905091 572538243 /nfs/dbraw/zinc/53/82/43/572538243.db2.gz QFPVATKFAYEIGL-XFWSIPNHSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]1C[C@H]([C@H](O)C[NH3+])C[C@@H](C)[N@H+]1C 250905089 572538250 /nfs/dbraw/zinc/53/82/50/572538250.db2.gz QFPVATKFAYEIGL-UTINFBMNSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]1C[C@@H]([C@@H](O)C[NH3+])C[C@@H](C)[N@H+]1C 250905085 572538273 /nfs/dbraw/zinc/53/82/73/572538273.db2.gz QFPVATKFAYEIGL-JLIMGVALSA-N 2 1 186.299 0.425 10 0 ACAEMP COC[C@@]1([NH3+])C[C@H](C)[N@@H+](C)[C@H](C)C1 250913131 572538403 /nfs/dbraw/zinc/53/84/03/572538403.db2.gz VWJVLFAWBFDIBC-MYJAWHEDSA-N 2 1 186.299 0.833 10 0 ACAEMP C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[NH3+] 251072293 572539833 /nfs/dbraw/zinc/53/98/33/572539833.db2.gz FSGCFYKZSXEQOC-UWVGGRQHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@H]([C@H]([NH3+])CCC[NH+](C)C)[NH+](C)C 74278447 572538600 /nfs/dbraw/zinc/53/86/00/572538600.db2.gz JXUSJKFKWXECOY-NXEZZACHSA-N 2 1 187.331 0.606 10 0 ACAEMP C[C@H]1C[C@@]([NH3+])(CO)C[C@@H](C)[N@@H+]1C 250914718 572538601 /nfs/dbraw/zinc/53/86/01/572538601.db2.gz WMANCTJOLTVAQA-AYMMMOKOSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H]1C[C@@]([NH3+])(CO)C[C@@H](C)[N@H+]1C 250914718 572538607 /nfs/dbraw/zinc/53/86/07/572538607.db2.gz WMANCTJOLTVAQA-AYMMMOKOSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H](O)C[N@H+]1CCCCC[C@H]1C[NH3+] 251072293 572539837 /nfs/dbraw/zinc/53/98/37/572539837.db2.gz FSGCFYKZSXEQOC-UWVGGRQHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@H]1C[C@@](O)(CC[NH3+])C[C@@H](C)[N@H+]1C 250908811 572538695 /nfs/dbraw/zinc/53/86/95/572538695.db2.gz TYHLFMSURBFAHN-ILWJIGKKSA-N 2 1 186.299 0.569 10 0 ACAEMP C[C@H]1C[C@H]([C@@H](O)C[NH3+])C[C@@H](C)[N@H+]1C 250905087 572538742 /nfs/dbraw/zinc/53/87/42/572538742.db2.gz QFPVATKFAYEIGL-JXUBOQSCSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]1C[C@@]([NH3+])(CCO)C[C@@H](C)[N@H+]1C 250911720 572538818 /nfs/dbraw/zinc/53/88/18/572538818.db2.gz VGHXQSDJODDUDW-ILWJIGKKSA-N 2 1 186.299 0.569 10 0 ACAEMP C[C@H]1C[C@@]2(C[NH2+]CCO2)C[C@@H](C)[N@H+]1C 250913242 572538892 /nfs/dbraw/zinc/53/88/92/572538892.db2.gz WARKQJZNFOCHHN-JGPRNRPPSA-N 2 1 198.310 0.848 10 0 ACAEMP C[C@@H](O)C[N@@H+]1CCCCC[C@H]1C[NH3+] 251072296 572539761 /nfs/dbraw/zinc/53/97/61/572539761.db2.gz FSGCFYKZSXEQOC-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@H]([C@@H]([NH3+])CCC[NH+](C)C)[NH+](C)C 74278450 572538965 /nfs/dbraw/zinc/53/89/65/572538965.db2.gz JXUSJKFKWXECOY-UWVGGRQHSA-N 2 1 187.331 0.606 10 0 ACAEMP CN(C)CC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84385934 572539145 /nfs/dbraw/zinc/53/91/45/572539145.db2.gz BAZIKQWFWOEBNJ-NSHDSACASA-N 2 1 199.342 0.479 10 0 ACAEMP CN(CC[C@@H]1CC[NH2+]C1)CC[NH+](C)C 84385934 572539150 /nfs/dbraw/zinc/53/91/50/572539150.db2.gz BAZIKQWFWOEBNJ-NSHDSACASA-N 2 1 199.342 0.479 10 0 ACAEMP COC[C@]1([NH3+])C[C@H](C)[N@@H+](C)[C@H](C)C1 250913128 572539159 /nfs/dbraw/zinc/53/91/59/572539159.db2.gz VWJVLFAWBFDIBC-ILWJIGKKSA-N 2 1 186.299 0.833 10 0 ACAEMP CC[NH2+]CC(C)(C)[NH2+]C[C@H](C)OC 313213350 572539205 /nfs/dbraw/zinc/53/92/05/572539205.db2.gz TWQDQFONHFNITP-VIFPVBQESA-N 2 1 188.315 0.999 10 0 ACAEMP C[C@H]1C[C@]2(C[NH2+]CCO2)C[C@@H](C)[N@H+]1C 250913248 572539283 /nfs/dbraw/zinc/53/92/83/572539283.db2.gz WARKQJZNFOCHHN-URLYPYJESA-N 2 1 198.310 0.848 10 0 ACAEMP CN(C)CC[N@@H+](C)CC[C@H]1CC[NH2+]C1 84385937 572539320 /nfs/dbraw/zinc/53/93/20/572539320.db2.gz BAZIKQWFWOEBNJ-LLVKDONJSA-N 2 1 199.342 0.479 10 0 ACAEMP CN(CC[C@H]1CC[NH2+]C1)CC[NH+](C)C 84385937 572539326 /nfs/dbraw/zinc/53/93/26/572539326.db2.gz BAZIKQWFWOEBNJ-LLVKDONJSA-N 2 1 199.342 0.479 10 0 ACAEMP CC[C@@H]([C@H](O)C[NH+](C)C)[NH+](C)C 238295598 572539563 /nfs/dbraw/zinc/53/95/63/572539563.db2.gz QMIIGEOSZZKLGJ-DTWKUNHWSA-N 2 1 174.288 0.249 10 0 ACAEMP C[C@H]([C@@H]([NH3+])CCC[NH+](C)C)[NH+](C)C 74278454 572539715 /nfs/dbraw/zinc/53/97/15/572539715.db2.gz JXUSJKFKWXECOY-ZJUUUORDSA-N 2 1 187.331 0.606 10 0 ACAEMP C[C@@H](O)C[N@H+]1CCCCC[C@H]1C[NH3+] 251072296 572539767 /nfs/dbraw/zinc/53/97/67/572539767.db2.gz FSGCFYKZSXEQOC-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP CC[C@H]([NH3+])CN1CCC[N@@H+](CC)CC1 307796309 572540348 /nfs/dbraw/zinc/54/03/48/572540348.db2.gz OFTPOTUUHZNPFZ-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP C[C@@H]([C@H]([NH3+])CCC[NH+](C)C)[NH+](C)C 74278445 572540473 /nfs/dbraw/zinc/54/04/73/572540473.db2.gz JXUSJKFKWXECOY-VHSXEESVSA-N 2 1 187.331 0.606 10 0 ACAEMP CC[C@@H]([NH3+])CN1CCC[N@@H+](CC)CC1 307796303 572540644 /nfs/dbraw/zinc/54/06/44/572540644.db2.gz OFTPOTUUHZNPFZ-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP CN(C)[C@H]1C[N@H+](C)CC[C@@H]1CCC[NH3+] 238299481 572541337 /nfs/dbraw/zinc/54/13/37/572541337.db2.gz CUVCCOZRCFQGBE-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP CN(C)[C@H]1C[N@@H+](C)CC[C@@H]1CCC[NH3+] 238299481 572541339 /nfs/dbraw/zinc/54/13/39/572541339.db2.gz CUVCCOZRCFQGBE-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP C[NH+](C)CCCCC[NH+]1CCNCC1 238297470 572541627 /nfs/dbraw/zinc/54/16/27/572541627.db2.gz ICZXUJNLLNPXEA-UHFFFAOYSA-N 2 1 199.342 0.624 10 0 ACAEMP CC[N@H+]1CCCN(C/C=C/C[NH3+])CC1 307794799 572541763 /nfs/dbraw/zinc/54/17/63/572541763.db2.gz NHCBKVMWSCNIQP-ONEGZZNKSA-N 2 1 197.326 0.529 10 0 ACAEMP CCN1CCC[N@H+](C/C=C/C[NH3+])CC1 307794799 572541770 /nfs/dbraw/zinc/54/17/70/572541770.db2.gz NHCBKVMWSCNIQP-ONEGZZNKSA-N 2 1 197.326 0.529 10 0 ACAEMP CCN1CCC[N@@H+](C/C=C/C[NH3+])CC1 307794799 572541773 /nfs/dbraw/zinc/54/17/73/572541773.db2.gz NHCBKVMWSCNIQP-ONEGZZNKSA-N 2 1 197.326 0.529 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1[C@@H]1CCOC1 74282719 572542500 /nfs/dbraw/zinc/54/25/00/572542500.db2.gz RFPCCHNYPWJWGX-KXUCPTDWSA-N 2 1 184.283 0.444 10 0 ACAEMP C[NH+](C)CCCC[N@H+]1CCC[C@H]1CN 238297716 572542099 /nfs/dbraw/zinc/54/20/99/572542099.db2.gz WRLWVMXKAJIFLE-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP C[NH+](C)CCCC[N@@H+]1CCC[C@H]1C[NH3+] 238297716 572542102 /nfs/dbraw/zinc/54/21/02/572542102.db2.gz WRLWVMXKAJIFLE-NSHDSACASA-N 3 1 199.342 0.751 10 0 ACAEMP C[NH+](C)CCCC[N@H+]1CCC[C@H]1C[NH3+] 238297716 572542104 /nfs/dbraw/zinc/54/21/04/572542104.db2.gz WRLWVMXKAJIFLE-NSHDSACASA-N 3 1 199.342 0.751 10 0 ACAEMP C[NH+](C)CCCCN1CCC[C@H]1C[NH3+] 238297716 572542107 /nfs/dbraw/zinc/54/21/07/572542107.db2.gz WRLWVMXKAJIFLE-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CC[N@H+]1CCCN(CC[NH2+]C)CC1 307794624 572542161 /nfs/dbraw/zinc/54/21/61/572542161.db2.gz MWJLNOLEOAYBLH-UHFFFAOYSA-N 2 1 185.315 0.233 10 0 ACAEMP C[NH+](C)CCCCC[N@@H+](C)CCO 238297458 572542190 /nfs/dbraw/zinc/54/21/90/572542190.db2.gz COEYLDKNDQTUTQ-UHFFFAOYSA-N 2 1 188.315 0.642 10 0 ACAEMP C[NH+](C)CCCC[N@H+]1CCC[C@@H]1CN 238297704 572542273 /nfs/dbraw/zinc/54/22/73/572542273.db2.gz WRLWVMXKAJIFLE-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP C[NH+](C)CCCC[N@@H+]1CCC[C@@H]1C[NH3+] 238297704 572542276 /nfs/dbraw/zinc/54/22/76/572542276.db2.gz WRLWVMXKAJIFLE-LLVKDONJSA-N 3 1 199.342 0.751 10 0 ACAEMP C[NH+](C)CCCC[N@H+]1CCC[C@@H]1C[NH3+] 238297704 572542278 /nfs/dbraw/zinc/54/22/78/572542278.db2.gz WRLWVMXKAJIFLE-LLVKDONJSA-N 3 1 199.342 0.751 10 0 ACAEMP C[NH+](C)CCCCN1CCC[C@@H]1C[NH3+] 238297704 572542280 /nfs/dbraw/zinc/54/22/80/572542280.db2.gz WRLWVMXKAJIFLE-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP C[C@H](C[NH3+])N(C)[C@H]1CCCC[N@@H+](C)C1 251152220 572542783 /nfs/dbraw/zinc/54/27/83/572542783.db2.gz YJDGVOPAJBXTJW-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP [NH3+]C[C@@H](C1CC1)[N@@H+]1CCC[C@H](O)C1 74282699 572543002 /nfs/dbraw/zinc/54/30/02/572543002.db2.gz VSXVKLSRJHYVHG-UWVGGRQHSA-N 2 1 184.283 0.180 10 0 ACAEMP [NH3+]C[C@@H](C1CC1)[N@H+]1CCC[C@H](O)C1 74282699 572543005 /nfs/dbraw/zinc/54/30/05/572543005.db2.gz VSXVKLSRJHYVHG-UWVGGRQHSA-N 2 1 184.283 0.180 10 0 ACAEMP [NH3+]C[C@@H](C1CC1)[N@@H+]1CCC[C@@H](O)C1 74282700 572543063 /nfs/dbraw/zinc/54/30/63/572543063.db2.gz VSXVKLSRJHYVHG-ZJUUUORDSA-N 2 1 184.283 0.180 10 0 ACAEMP [NH3+]C[C@@H](C1CC1)[N@H+]1CCC[C@@H](O)C1 74282700 572543066 /nfs/dbraw/zinc/54/30/66/572543066.db2.gz VSXVKLSRJHYVHG-ZJUUUORDSA-N 2 1 184.283 0.180 10 0 ACAEMP CCC[N@@H+](C)CCN[C@H](C)C[NH3+] 688686206 572543078 /nfs/dbraw/zinc/54/30/78/572543078.db2.gz KQNPYNBCVQIBEK-SECBINFHSA-N 2 1 173.304 0.265 10 0 ACAEMP C[N@H+]1CC[C@]2(C[C@H](C[NH3+])CCO2)C1 74282730 572543182 /nfs/dbraw/zinc/54/31/82/572543182.db2.gz BJOZOYIGDKESNV-ZJUUUORDSA-N 2 1 184.283 0.446 10 0 ACAEMP C[N@H+]1C[C@H]([NH3+])CC[C@@H]1[C@@H]1CCOC1 74282714 572543372 /nfs/dbraw/zinc/54/33/72/572543372.db2.gz DYPHIQDIXFUQDK-OPRDCNLKSA-N 2 1 184.283 0.444 10 0 ACAEMP CC[N@H+]1CCCN(C/C=C\C[NH3+])CC1 307794795 572543433 /nfs/dbraw/zinc/54/34/33/572543433.db2.gz NHCBKVMWSCNIQP-ARJAWSKDSA-N 2 1 197.326 0.529 10 0 ACAEMP CCN1CCC[N@H+](C/C=C\C[NH3+])CC1 307794795 572543436 /nfs/dbraw/zinc/54/34/36/572543436.db2.gz NHCBKVMWSCNIQP-ARJAWSKDSA-N 2 1 197.326 0.529 10 0 ACAEMP CCN1CCC[N@@H+](C/C=C\C[NH3+])CC1 307794795 572543441 /nfs/dbraw/zinc/54/34/41/572543441.db2.gz NHCBKVMWSCNIQP-ARJAWSKDSA-N 2 1 197.326 0.529 10 0 ACAEMP C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1CCC[NH3+] 238298880 572543461 /nfs/dbraw/zinc/54/34/61/572543461.db2.gz JEOKHALFWSEQKA-QWRGUYRKSA-N 3 1 199.342 0.607 10 0 ACAEMP C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1CCC[NH3+] 238298880 572543463 /nfs/dbraw/zinc/54/34/63/572543463.db2.gz JEOKHALFWSEQKA-QWRGUYRKSA-N 3 1 199.342 0.607 10 0 ACAEMP CCC[N@@H+](C)CCN[C@@H](C)C[NH3+] 688686207 572543507 /nfs/dbraw/zinc/54/35/07/572543507.db2.gz KQNPYNBCVQIBEK-VIFPVBQESA-N 2 1 173.304 0.265 10 0 ACAEMP C[N@@H+]1C[C@@H]2[C@H](C[NH2+]C2(C)C)C1 251150715 572543784 /nfs/dbraw/zinc/54/37/84/572543784.db2.gz LDDNTXJBEGAFAC-HTQZYQBOSA-N 2 1 154.257 0.546 10 0 ACAEMP CN(C)[C@@H](C[NH3+])C1CC[NH+](C)CC1 74280814 572544211 /nfs/dbraw/zinc/54/42/11/572544211.db2.gz WAXUFHZSYJKRSG-JTQLQIEISA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@@H](C[NH3+])N(C)[C@H]1CCCC[N@@H+](C)C1 251152222 572544273 /nfs/dbraw/zinc/54/42/73/572544273.db2.gz YJDGVOPAJBXTJW-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP [NH3+]C1(CC[N@H+]2CCC[C@@H]2CO)CC1 74282787 572544276 /nfs/dbraw/zinc/54/42/76/572544276.db2.gz QHLUBXGILZBYED-SECBINFHSA-N 2 1 184.283 0.325 10 0 ACAEMP CN(C)[C@H](C[NH3+])C1CC[NH+](C)CC1 74280811 572544621 /nfs/dbraw/zinc/54/46/21/572544621.db2.gz WAXUFHZSYJKRSG-SNVBAGLBSA-N 2 1 185.315 0.217 10 0 ACAEMP C[N@H+]1C[C@H]2C[NH2+]C(C)(C)[C@H]2C1 251150716 572544550 /nfs/dbraw/zinc/54/45/50/572544550.db2.gz LDDNTXJBEGAFAC-SFYZADRCSA-N 2 1 154.257 0.546 10 0 ACAEMP [NH3+]C1C[C@@H]2CC[C@H](C1)[N@H+]2[C@@H]1CCOC1 69606369 572546647 /nfs/dbraw/zinc/54/66/47/572546647.db2.gz ZOTPGESBKRRKMP-HUAZRZQGSA-N 2 1 196.294 0.729 10 0 ACAEMP [NH3+]C1(CC[N@H+]2CCC[C@H]2CO)CC1 74282790 572546449 /nfs/dbraw/zinc/54/64/49/572546449.db2.gz QHLUBXGILZBYED-VIFPVBQESA-N 2 1 184.283 0.325 10 0 ACAEMP CN(C)[C@H]1CCC[N@@H+](CCCC[NH3+])C1 84419273 572548380 /nfs/dbraw/zinc/54/83/80/572548380.db2.gz CIRFNQNDGBKPCY-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CCC[N@H+](C)Cc1cn(CC[NH3+])nn1 84378881 572546680 /nfs/dbraw/zinc/54/66/80/572546680.db2.gz FXKVEWWKJOLLTR-UHFFFAOYSA-N 2 1 197.286 0.079 10 0 ACAEMP CCC[N@@H+](C)Cc1cn(CC[NH3+])nn1 84378881 572546684 /nfs/dbraw/zinc/54/66/84/572546684.db2.gz FXKVEWWKJOLLTR-UHFFFAOYSA-N 2 1 197.286 0.079 10 0 ACAEMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC1 69606401 572546858 /nfs/dbraw/zinc/54/68/58/572546858.db2.gz NEZHZCGFBFPJLC-AXFHLTTASA-N 2 1 198.310 0.977 10 0 ACAEMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1[C@@H]1CCOC1 69606401 572546863 /nfs/dbraw/zinc/54/68/63/572546863.db2.gz NEZHZCGFBFPJLC-AXFHLTTASA-N 2 1 198.310 0.977 10 0 ACAEMP CC[C@H]1CC[N@@H+](CCNC(N)=[NH2+])C1 238306411 572547014 /nfs/dbraw/zinc/54/70/14/572547014.db2.gz QEGOOMZSWLMWBC-QMMMGPOBSA-N 2 1 184.287 0.201 10 0 ACAEMP C[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])CC1 251160372 572547116 /nfs/dbraw/zinc/54/71/16/572547116.db2.gz ZUDMXDBUSSMDOK-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP O[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]2)C1 251214611 572547291 /nfs/dbraw/zinc/54/72/91/572547291.db2.gz LQTDPYCTDZDAJD-NXEZZACHSA-N 2 1 184.283 0.195 10 0 ACAEMP C[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])CC1 251160370 572547559 /nfs/dbraw/zinc/54/75/59/572547559.db2.gz ZUDMXDBUSSMDOK-NXEZZACHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1[C@@H]1CCOC1 69606404 572547772 /nfs/dbraw/zinc/54/77/72/572547772.db2.gz NEZHZCGFBFPJLC-HBNTYKKESA-N 2 1 198.310 0.977 10 0 ACAEMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1[C@@H]1CCOC1 69606404 572547775 /nfs/dbraw/zinc/54/77/75/572547775.db2.gz NEZHZCGFBFPJLC-HBNTYKKESA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+](CCC[NH3+])[C@@H]1CCOC1 69622384 572547868 /nfs/dbraw/zinc/54/78/68/572547868.db2.gz ONTQGNZQRZAZBS-MRVPVSSYSA-N 2 1 158.245 0.056 10 0 ACAEMP C[C@@H](O)CC[N@H+]1CCC[C@@H]([NH3+])CC1 251215121 572547987 /nfs/dbraw/zinc/54/79/87/572547987.db2.gz NCICTPAINXHSJS-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[NH+](C)[C@H]1CCCN(CCCC[NH3+])C1 84419273 572548383 /nfs/dbraw/zinc/54/83/83/572548383.db2.gz CIRFNQNDGBKPCY-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP C/C=C\CC[NH2+]CC[NH3+] 307800333 572548366 /nfs/dbraw/zinc/54/83/66/572548366.db2.gz HFLXXJBKKSNYNA-IHWYPQMZSA-N 2 1 128.219 0.501 10 0 ACAEMP CN(C)[C@@H]1CCC[N@@H+](CCCC[NH3+])C1 84419272 572548478 /nfs/dbraw/zinc/54/84/78/572548478.db2.gz CIRFNQNDGBKPCY-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP C[NH+](C)[C@@H]1CCCN(CCCC[NH3+])C1 84419272 572548482 /nfs/dbraw/zinc/54/84/82/572548482.db2.gz CIRFNQNDGBKPCY-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP O[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]2)C1 251214613 572548570 /nfs/dbraw/zinc/54/85/70/572548570.db2.gz LQTDPYCTDZDAJD-VHSXEESVSA-N 2 1 184.283 0.195 10 0 ACAEMP C[C@@H]([NH3+])C1CCN(c2[nH]cc[nH+]2)CC1 235145818 572548597 /nfs/dbraw/zinc/54/85/97/572548597.db2.gz CSBFYKZDCDXTLW-MRVPVSSYSA-N 2 1 194.282 0.973 10 0 ACAEMP C1[NH2+]CC1NC[C@H]1CC[N@H+](C2CC2)C1 84418277 572548642 /nfs/dbraw/zinc/54/86/42/572548642.db2.gz OJOGBDNXGKHVCB-SECBINFHSA-N 2 1 195.310 0.032 10 0 ACAEMP C[N@@H+](CCNC1C[NH2+]C1)C1CCCC1 84418813 572548860 /nfs/dbraw/zinc/54/88/60/572548860.db2.gz SJOKJROCOCATOJ-UHFFFAOYSA-N 2 1 197.326 0.422 10 0 ACAEMP C[N@@H+](CCC[NH3+])[C@H]1CCOC1 69622387 572548882 /nfs/dbraw/zinc/54/88/82/572548882.db2.gz ONTQGNZQRZAZBS-QMMMGPOBSA-N 2 1 158.245 0.056 10 0 ACAEMP C1[NH2+]CC1NC[C@@H]1CC[N@H+](C2CC2)C1 84418280 572551564 /nfs/dbraw/zinc/55/15/64/572551564.db2.gz OJOGBDNXGKHVCB-VIFPVBQESA-N 2 1 195.310 0.032 10 0 ACAEMP C[C@H](O)CC[N@H+]1CCC[C@@H]([NH3+])CC1 251215124 572549526 /nfs/dbraw/zinc/54/95/26/572549526.db2.gz NCICTPAINXHSJS-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP C[NH+](C)CCOCc1cnc[nH]1 238311084 572550235 /nfs/dbraw/zinc/55/02/35/572550235.db2.gz PGDKSYWYGLRRLI-UHFFFAOYSA-N 2 1 169.228 0.488 10 0 ACAEMP CC[N@H+]1CCC[C@H]1CNC1C[NH2+]C1 84416176 572550338 /nfs/dbraw/zinc/55/03/38/572550338.db2.gz CWFVSABGPYHBFQ-JTQLQIEISA-N 2 1 183.299 0.032 10 0 ACAEMP C[C@H](O)CC[N@H+]1CC[C@H]1CC[NH3+] 251190815 572550363 /nfs/dbraw/zinc/55/03/63/572550363.db2.gz IZBFCRNYVVVEKT-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP CCc1cc(OCC[NH3+])cc[nH+]1 307800827 572550737 /nfs/dbraw/zinc/55/07/37/572550737.db2.gz VYDAMKCNXUJXGT-UHFFFAOYSA-N 2 1 166.224 0.982 10 0 ACAEMP CC[N@H+]1CCC[C@@H]1CNC1C[NH2+]C1 84416173 572550890 /nfs/dbraw/zinc/55/08/90/572550890.db2.gz CWFVSABGPYHBFQ-SNVBAGLBSA-N 2 1 183.299 0.032 10 0 ACAEMP C[C@H](O)CC[N@H+]1CCC[C@H]1CC[NH3+] 251183062 572551148 /nfs/dbraw/zinc/55/11/48/572551148.db2.gz HQWTYHHVRDCOHD-UWVGGRQHSA-N 2 1 186.299 0.571 10 0 ACAEMP CC(C)[N@@H+](C)CCCCNC1C[NH2+]C1 84418653 572551208 /nfs/dbraw/zinc/55/12/08/572551208.db2.gz VWECCWNRQPIJGC-UHFFFAOYSA-N 2 1 199.342 0.668 10 0 ACAEMP CC(C)[N@H+](C)CCCC[NH2+]C1CNC1 84418653 572551212 /nfs/dbraw/zinc/55/12/12/572551212.db2.gz VWECCWNRQPIJGC-UHFFFAOYSA-N 2 1 199.342 0.668 10 0 ACAEMP CC(C)[N@@H+](C)CCCC[NH2+]C1CNC1 84418653 572551216 /nfs/dbraw/zinc/55/12/16/572551216.db2.gz VWECCWNRQPIJGC-UHFFFAOYSA-N 2 1 199.342 0.668 10 0 ACAEMP C[C@@H]([NH3+])CC[N@H+]1CCC[C@@H](CO)C1 251173904 572551353 /nfs/dbraw/zinc/55/13/53/572551353.db2.gz FUCOQLRKLOGQBK-NXEZZACHSA-N 2 1 186.299 0.428 10 0 ACAEMP CC(C)[N@H+]1CC[C@@H](CNC2C[NH2+]C2)C1 84418526 572551690 /nfs/dbraw/zinc/55/16/90/572551690.db2.gz JVICNQFSAFCWHS-JTQLQIEISA-N 2 1 197.326 0.278 10 0 ACAEMP C[C@@H](O)CC[N@H+]1CCC[C@H]1CC[NH3+] 251183067 572552207 /nfs/dbraw/zinc/55/22/07/572552207.db2.gz HQWTYHHVRDCOHD-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP CC[C@H](C)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 87535898 572552604 /nfs/dbraw/zinc/55/26/04/572552604.db2.gz PLPLJLBXCVLAGP-VHSXEESVSA-N 2 1 198.310 0.882 10 0 ACAEMP CC[C@H](C)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 87535898 572552608 /nfs/dbraw/zinc/55/26/08/572552608.db2.gz PLPLJLBXCVLAGP-VHSXEESVSA-N 2 1 198.310 0.882 10 0 ACAEMP C[C@@H]1CN([C@@H]2CC[N@@H+](C)C2)C[C@@H](C)[NH2+]1 69627820 572552681 /nfs/dbraw/zinc/55/26/81/572552681.db2.gz WTGPOMMMXLYHRQ-GMTAPVOTSA-N 2 1 197.326 0.373 10 0 ACAEMP C[C@@H](O)CC[N@H+]1CC[C@H]1CC[NH3+] 251190820 572552947 /nfs/dbraw/zinc/55/29/47/572552947.db2.gz IZBFCRNYVVVEKT-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[NH+](C)C[C@@H](O)C[NH+]1CCCCC1 238318167 572553186 /nfs/dbraw/zinc/55/31/86/572553186.db2.gz TXSLIHCQJABISW-SNVBAGLBSA-N 2 1 186.299 0.395 10 0 ACAEMP C[C@H]([NH3+])CC[N@H+]1CCC[C@@H](CO)C1 251173907 572553271 /nfs/dbraw/zinc/55/32/71/572553271.db2.gz FUCOQLRKLOGQBK-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP CN(C)CC[N@H+]1CCC[C@H](CC[NH3+])C1 69626505 572553438 /nfs/dbraw/zinc/55/34/38/572553438.db2.gz YRYVZSVFODZDEO-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP C[C@@H]([NH3+])CC[N@H+]1CCC[C@@H](O)C1 251171266 572553786 /nfs/dbraw/zinc/55/37/86/572553786.db2.gz DZWOYHHXOFVGMD-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+][C@H](C)C1CC1 235150047 572553862 /nfs/dbraw/zinc/55/38/62/572553862.db2.gz KEMOTYOIQBUPJU-NKWVEPMBSA-N 2 1 142.246 0.722 10 0 ACAEMP C[C@H]1C[N@H+](C)CCCN1CC[C@@H](C)[NH3+] 235150595 572553950 /nfs/dbraw/zinc/55/39/50/572553950.db2.gz UWOBFQREZGXJKT-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H]([NH3+])CC[N@H+]1CCC[C@@H](O)C1 251171263 572554223 /nfs/dbraw/zinc/55/42/23/572554223.db2.gz DZWOYHHXOFVGMD-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+]1CCN2[C@@H](C[NH3+])CCC[C@@H]2C1 74284387 572554620 /nfs/dbraw/zinc/55/46/20/572554620.db2.gz YIDHZNUYYKKCML-NXEZZACHSA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@H]1CN(C)CC[N@H+]1CC[C@@H](C)[NH3+] 235150721 572554804 /nfs/dbraw/zinc/55/48/04/572554804.db2.gz MYWXCAGVNSWVKW-ZJUUUORDSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@H]1CN(C)CC[N@@H+]1CC[C@@H](C)[NH3+] 235150721 572554807 /nfs/dbraw/zinc/55/48/07/572554807.db2.gz MYWXCAGVNSWVKW-ZJUUUORDSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@@H](CCCO)[N@@H+]1CCC[C@H]1C[NH3+] 308061423 572557700 /nfs/dbraw/zinc/55/77/00/572557700.db2.gz UYEQHCALPMYLCC-UWVGGRQHSA-N 2 1 186.299 0.571 10 0 ACAEMP Cc1[nH+]ccn1CC[NH2+]C1CC(O)C1 84444479 572556155 /nfs/dbraw/zinc/55/61/55/572556155.db2.gz KPUOUYVJLFFHPD-UHFFFAOYSA-N 2 1 195.266 0.304 10 0 ACAEMP CC[NH2+]CCN1CCC[N@@H+](CC)CC1 307805884 572556289 /nfs/dbraw/zinc/55/62/89/572556289.db2.gz VNLUCZJRPRRUHH-UHFFFAOYSA-N 2 1 199.342 0.624 10 0 ACAEMP CC(C)[C@@H]1[C@@H]2[NH2+]CC[C@@H]2C[N@@H+]1C 251269559 572556419 /nfs/dbraw/zinc/55/64/19/572556419.db2.gz BNAWIVQTOXGTFG-OPRDCNLKSA-N 2 1 168.284 0.935 10 0 ACAEMP CC(C)[C@@H]1[C@@H]2[NH2+]CC[C@@H]2C[N@H+]1C 251269559 572556424 /nfs/dbraw/zinc/55/64/24/572556424.db2.gz BNAWIVQTOXGTFG-OPRDCNLKSA-N 2 1 168.284 0.935 10 0 ACAEMP C[N@@H+](C[C@H]1CCC[C@H]1O)C1CC([NH3+])C1 689741454 572556605 /nfs/dbraw/zinc/55/66/05/572556605.db2.gz BDKXDTOPMUMEQV-AGVGLQIMSA-N 2 1 198.310 0.569 10 0 ACAEMP C[N@@H+](C[C@H]1CCC[C@@H]1O)C1CC([NH3+])C1 689741468 572556623 /nfs/dbraw/zinc/55/66/23/572556623.db2.gz BDKXDTOPMUMEQV-SFXRXQKFSA-N 2 1 198.310 0.569 10 0 ACAEMP 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ITYBAEGAGAZWPE-ONEGZZNKSA-N 2 1 158.245 0.080 10 0 ACAEMP CC(C)[C@](C)(C[NH3+])[N@@H+](C)CCO 74309031 572635676 /nfs/dbraw/zinc/63/56/76/572635676.db2.gz ABIMOARTHRUJEB-VIFPVBQESA-N 2 1 174.288 0.284 10 0 ACAEMP C[C@@H]1C[C@H]([C@@H]([NH3+])CO)CC[N@H+]1C 251755896 572635856 /nfs/dbraw/zinc/63/58/56/572635856.db2.gz DJMDTWDFOFYGIX-HLTSFMKQSA-N 2 1 172.272 0.036 10 0 ACAEMP C[N@H+]1CCCN2CC[C@@H]([NH3+])C[C@H]2C1 250363730 572635886 /nfs/dbraw/zinc/63/58/86/572635886.db2.gz DTDGRBXYYZTSHG-ZJUUUORDSA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@@H]1C[C@H](C[C@@H](O)C[NH3+])CC[N@H+]1C 251773250 572635896 /nfs/dbraw/zinc/63/58/96/572635896.db2.gz FDORBZAVYIQEIR-OPRDCNLKSA-N 2 1 186.299 0.426 10 0 ACAEMP CO[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 234779506 572635954 /nfs/dbraw/zinc/63/59/54/572635954.db2.gz TXYVYNMYEBKILJ-GMTAPVOTSA-N 2 1 198.310 0.977 10 0 ACAEMP CO[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 234779506 572635961 /nfs/dbraw/zinc/63/59/61/572635961.db2.gz TXYVYNMYEBKILJ-GMTAPVOTSA-N 2 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CC[N@@H+](C)CCNC[C@@H]1CCC[NH2+]C1 87647109 572645653 /nfs/dbraw/zinc/64/56/53/572645653.db2.gz XPCNCLGUEWZLDU-LLVKDONJSA-N 2 1 199.342 0.527 10 0 ACAEMP CCN(C)CC[NH2+]C[C@@H]1CCC[NH2+]C1 87647109 572645659 /nfs/dbraw/zinc/64/56/59/572645659.db2.gz XPCNCLGUEWZLDU-LLVKDONJSA-N 2 1 199.342 0.527 10 0 ACAEMP CC[C@@H](C)N1CC[N@@H+](C)C[C@H]1CC[NH3+] 252033587 572645716 /nfs/dbraw/zinc/64/57/16/572645716.db2.gz ZUBPATATWLEQRJ-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@@H](C)[N@@H+]1CCN(C)C[C@H]1CC[NH3+] 252033587 572645720 /nfs/dbraw/zinc/64/57/20/572645720.db2.gz ZUBPATATWLEQRJ-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@@H](C)[N@H+]1CCN(C)C[C@H]1CC[NH3+] 252033587 572645726 /nfs/dbraw/zinc/64/57/26/572645726.db2.gz ZUBPATATWLEQRJ-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H](C[NH2+]C[C@H]1CCC[NH2+]C1)N(C)C 87646774 572645747 /nfs/dbraw/zinc/64/57/47/572645747.db2.gz LEUBLXOSIWILNA-MNOVXSKESA-N 2 1 199.342 0.526 10 0 ACAEMP C[C@@H](CC(N)=[NH2+])[N@@H+]1C[C@@H](C)OC[C@H]1C 48250123 572645847 /nfs/dbraw/zinc/64/58/47/572645847.db2.gz IHMKCWCVEWKCAQ-DJLDLDEBSA-N 2 1 199.298 0.810 10 0 ACAEMP C[N@@H+](CCC1CC1)C[C@H](O)C[NH3+] 308085454 572645921 /nfs/dbraw/zinc/64/59/21/572645921.db2.gz NKORJGXOVCJWOB-SECBINFHSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@H](CC(N)=[NH2+])N1CCC[N@@H+](C)CC1 48249914 572646209 /nfs/dbraw/zinc/64/62/09/572646209.db2.gz RBCOWNCFKDTHRH-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP C[C@H](CC(N)=[NH2+])[N@@H+]1CCCN(C)CC1 48249914 572646215 /nfs/dbraw/zinc/64/62/15/572646215.db2.gz RBCOWNCFKDTHRH-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP C[C@H](CC(N)=[NH2+])[N@H+]1CCCN(C)CC1 48249914 572646216 /nfs/dbraw/zinc/64/62/16/572646216.db2.gz RBCOWNCFKDTHRH-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP C/C=C\CC[NH2+][C@]1(C[NH3+])CCOC1 308085242 572646173 /nfs/dbraw/zinc/64/61/73/572646173.db2.gz GEGHYNMVEIMJGN-ZMWSMAPVSA-N 2 1 184.283 0.660 10 0 ACAEMP C[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)N(C)C 87646769 572646184 /nfs/dbraw/zinc/64/61/84/572646184.db2.gz LEUBLXOSIWILNA-WDEREUQCSA-N 2 1 199.342 0.526 10 0 ACAEMP CC(C)[N@@H+]1C[C@H](C[NH3+])N(C)CC[C@H]1C 251812307 572646488 /nfs/dbraw/zinc/64/64/88/572646488.db2.gz YXFAGWHGJBTBRL-MNOVXSKESA-N 2 1 199.342 0.748 10 0 ACAEMP CC(C)[N@H+]1C[C@H](C[NH3+])N(C)CC[C@H]1C 251812307 572646492 /nfs/dbraw/zinc/64/64/92/572646492.db2.gz YXFAGWHGJBTBRL-MNOVXSKESA-N 2 1 199.342 0.748 10 0 ACAEMP CC[C@H](C)[N@@H+]1CCOC[C@H]1CC[NH3+] 251966033 572646557 /nfs/dbraw/zinc/64/65/57/572646557.db2.gz WDCYRRLNKRZFEG-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@H](C)[N@H+]1CCOC[C@H]1CC[NH3+] 251966033 572646558 /nfs/dbraw/zinc/64/65/58/572646558.db2.gz WDCYRRLNKRZFEG-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]([C@@H](O)C[NH3+])C1 251814743 572646735 /nfs/dbraw/zinc/64/67/35/572646735.db2.gz ZEFHSIIOCXBNCF-UTLUCORTSA-N 2 1 186.299 0.284 10 0 ACAEMP C/C=C\CC[NH2+][C@@]1(C[NH3+])CCOC1 308085241 572646980 /nfs/dbraw/zinc/64/69/80/572646980.db2.gz GEGHYNMVEIMJGN-MXQLGCADSA-N 2 1 184.283 0.660 10 0 ACAEMP C[C@H]1CC[N@H+](C2CCOCC2)C[C@@H]1[NH3+] 70144970 572647105 /nfs/dbraw/zinc/64/71/05/572647105.db2.gz UIYGATIFAIKCQV-ONGXEEELSA-N 2 1 198.310 0.835 10 0 ACAEMP CC(C)[N@@H+]1C[C@H](C[NH3+])N(C)CC[C@@H]1C 251812310 572647203 /nfs/dbraw/zinc/64/72/03/572647203.db2.gz YXFAGWHGJBTBRL-QWRGUYRKSA-N 2 1 199.342 0.748 10 0 ACAEMP CC(C)[N@H+]1C[C@H](C[NH3+])N(C)CC[C@@H]1C 251812310 572647204 /nfs/dbraw/zinc/64/72/04/572647204.db2.gz YXFAGWHGJBTBRL-QWRGUYRKSA-N 2 1 199.342 0.748 10 0 ACAEMP CC[C@H](C)[N@H+]1CCN(C)C[C@H]1CC[NH3+] 252033588 572647758 /nfs/dbraw/zinc/64/77/58/572647758.db2.gz ZUBPATATWLEQRJ-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@H](C)N1CC[N@@H+](C)C[C@H]1CC[NH3+] 252033588 572647751 /nfs/dbraw/zinc/64/77/51/572647751.db2.gz ZUBPATATWLEQRJ-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@H](C)[N@@H+]1CCN(C)C[C@H]1CC[NH3+] 252033588 572647754 /nfs/dbraw/zinc/64/77/54/572647754.db2.gz ZUBPATATWLEQRJ-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H]1CC[N@H+](C2CCOCC2)C[C@@H]1[NH3+] 70144969 572647787 /nfs/dbraw/zinc/64/77/87/572647787.db2.gz UIYGATIFAIKCQV-KOLCDFICSA-N 2 1 198.310 0.835 10 0 ACAEMP CC[N@@H+]1C[C@H](C[NH2+]C)N(C)C[C@@H](C)C1 250242325 572648131 /nfs/dbraw/zinc/64/81/31/572648131.db2.gz HMXJVINJVBSKNB-MNOVXSKESA-N 2 1 199.342 0.478 10 0 ACAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]([C@H](O)C[NH3+])C1 251814739 572648288 /nfs/dbraw/zinc/64/82/88/572648288.db2.gz ZEFHSIIOCXBNCF-KXUCPTDWSA-N 2 1 186.299 0.284 10 0 ACAEMP CC[N@H+]1C[C@@H](C)CN(C)[C@@H](C[NH2+]C)C1 250242333 572648388 /nfs/dbraw/zinc/64/83/88/572648388.db2.gz HMXJVINJVBSKNB-QWRGUYRKSA-N 2 1 199.342 0.478 10 0 ACAEMP CC[C@@H](C)[N@@H+]1CCOC[C@H]1CC[NH3+] 251966030 572649013 /nfs/dbraw/zinc/64/90/13/572649013.db2.gz WDCYRRLNKRZFEG-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@@H](C)[N@H+]1CCOC[C@H]1CC[NH3+] 251966030 572649019 /nfs/dbraw/zinc/64/90/19/572649019.db2.gz WDCYRRLNKRZFEG-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@H]1C[N@@H+](C)C[C@@H](C)[C@]1(O)CC[NH3+] 251819590 572649031 /nfs/dbraw/zinc/64/90/31/572649031.db2.gz ZPWOEOOUEYZJSX-ILWJIGKKSA-N 2 1 186.299 0.284 10 0 ACAEMP CO[C@@H]1CCCC[C@@]1(CN)[NH+](C)C 234780014 572649150 /nfs/dbraw/zinc/64/91/50/572649150.db2.gz XFYUDARHARZBCK-ZJUUUORDSA-N 2 1 186.299 0.835 10 0 ACAEMP CO[C@@H]1CCCC[C@@]1(C[NH3+])[NH+](C)C 234780014 572649153 /nfs/dbraw/zinc/64/91/53/572649153.db2.gz XFYUDARHARZBCK-ZJUUUORDSA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@@H]1CC[N@@H+](C)C[C@H]([C@@H](O)C[NH3+])C1 251814734 572649208 /nfs/dbraw/zinc/64/92/08/572649208.db2.gz ZEFHSIIOCXBNCF-BBBLOLIVSA-N 2 1 186.299 0.284 10 0 ACAEMP CO[C@H]1CCCC[C@@]1(CN)[NH+](C)C 234780022 572649227 /nfs/dbraw/zinc/64/92/27/572649227.db2.gz XFYUDARHARZBCK-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP CO[C@H]1CCCC[C@@]1(C[NH3+])[NH+](C)C 234780022 572649231 /nfs/dbraw/zinc/64/92/31/572649231.db2.gz XFYUDARHARZBCK-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@H](C)[N@@H+]1CCN(C)[C@@H](C[NH2+]C)C1 251844475 572650574 /nfs/dbraw/zinc/65/05/74/572650574.db2.gz LYPCOSAGKLTSDR-QWRGUYRKSA-N 2 1 199.342 0.620 10 0 ACAEMP C[C@@H]1CC[N@@H+](CCO)[C@@H](CN)C1 235282300 572650956 /nfs/dbraw/zinc/65/09/56/572650956.db2.gz SQUSRCDOVJMLHV-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H]1CC[N@H+](CCO)[C@@H](C[NH3+])C1 235282300 572650961 /nfs/dbraw/zinc/65/09/61/572650961.db2.gz SQUSRCDOVJMLHV-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H]1CC[N@@H+](CCO)[C@@H](C[NH3+])C1 235282300 572650965 /nfs/dbraw/zinc/65/09/65/572650965.db2.gz SQUSRCDOVJMLHV-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@@H](C)[N@@H+]1CCN(C)[C@@H](C[NH2+]C)C1 251844473 572651756 /nfs/dbraw/zinc/65/17/56/572651756.db2.gz LYPCOSAGKLTSDR-MNOVXSKESA-N 2 1 199.342 0.620 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@@]1(C[NH3+])CCO 251834671 572651625 /nfs/dbraw/zinc/65/16/25/572651625.db2.gz PWABGHAPZPACJP-ZJUUUORDSA-N 2 1 186.299 0.286 10 0 ACAEMP CC[C@@H](C)[N@H+]1CCCN(C)C[C@H]1CN 252026628 572652480 /nfs/dbraw/zinc/65/24/80/572652480.db2.gz YKJWCWHJVIZYOB-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@@H](C)N1CCC[N@H+](C)C[C@H]1C[NH3+] 252026628 572652484 /nfs/dbraw/zinc/65/24/84/572652484.db2.gz YKJWCWHJVIZYOB-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H]1C[N@@H+](C)CC[C@@]1(C[NH3+])CCO 251834668 572652896 /nfs/dbraw/zinc/65/28/96/572652896.db2.gz PWABGHAPZPACJP-UWVGGRQHSA-N 2 1 186.299 0.286 10 0 ACAEMP CCC(=[NH2+])N1C[C@H](O)C[C@@H]1C[NH+](C)C 85084511 572653372 /nfs/dbraw/zinc/65/33/72/572653372.db2.gz FYDTYRKPSPBHMS-RKDXNWHRSA-N 2 1 199.298 0.370 10 0 ACAEMP CC[C@H](C)[N@H+]1CCCN(C)C[C@H]1CN 252026629 572653450 /nfs/dbraw/zinc/65/34/50/572653450.db2.gz YKJWCWHJVIZYOB-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@H](C)N1CCC[N@H+](C)C[C@H]1C[NH3+] 252026629 572653457 /nfs/dbraw/zinc/65/34/57/572653457.db2.gz YKJWCWHJVIZYOB-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CCCC[NH2+]C[C@@H]1C[C@@H](O)C[NH2+]1 85081245 572653758 /nfs/dbraw/zinc/65/37/58/572653758.db2.gz FWHSBELKTXFXDJ-DTWKUNHWSA-N 2 1 172.272 0.099 10 0 ACAEMP CCCC[NH2+]C[C@H]1C[C@@H](O)C[NH2+]1 85081248 572653902 /nfs/dbraw/zinc/65/39/02/572653902.db2.gz FWHSBELKTXFXDJ-RKDXNWHRSA-N 2 1 172.272 0.099 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCN1[C@@H]1CC[C@@H]1C[NH3+] 235284686 572654465 /nfs/dbraw/zinc/65/44/65/572654465.db2.gz XOMCFTZZMVKPND-GMTAPVOTSA-N 2 1 197.326 0.360 10 0 ACAEMP C[C@@H]1CN(C)CC[N@@H+]1[C@@H]1CC[C@@H]1C[NH3+] 235284686 572654468 /nfs/dbraw/zinc/65/44/68/572654468.db2.gz XOMCFTZZMVKPND-GMTAPVOTSA-N 2 1 197.326 0.360 10 0 ACAEMP C[C@@H]1CN(C)CC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 235284686 572654472 /nfs/dbraw/zinc/65/44/72/572654472.db2.gz XOMCFTZZMVKPND-GMTAPVOTSA-N 2 1 197.326 0.360 10 0 ACAEMP CN[C@@H](C)C[NH2+]CCC(F)F 307855837 572654626 /nfs/dbraw/zinc/65/46/26/572654626.db2.gz CJXUHTKWGMPQME-LURJTMIESA-N 2 1 166.215 0.839 10 0 ACAEMP O[C@H]1C[NH2+][C@@H](C[NH2+]CCC2CC2)C1 85082506 572654875 /nfs/dbraw/zinc/65/48/75/572654875.db2.gz CDLURJPJDQXVBP-NXEZZACHSA-N 2 1 184.283 0.099 10 0 ACAEMP O[C@@H]1C[NH2+][C@@H](C[NH2+]CCC2CC2)C1 85082498 572655098 /nfs/dbraw/zinc/65/50/98/572655098.db2.gz CDLURJPJDQXVBP-ZJUUUORDSA-N 2 1 184.283 0.099 10 0 ACAEMP C[NH+](C)CCc1cnc(C[NH3+])o1 74331545 572655251 /nfs/dbraw/zinc/65/52/51/572655251.db2.gz OLBJETJUNVBENQ-UHFFFAOYSA-N 2 1 169.228 0.237 10 0 ACAEMP C[NH2+]C[C@@](C)(O)Cc1cc[nH+]c(N)c1 85075225 572655475 /nfs/dbraw/zinc/65/54/75/572655475.db2.gz MGGUOOASLWSIDI-JTQLQIEISA-N 2 1 195.266 0.177 10 0 ACAEMP CC[C@@H]1CC[N@@H+](C)C[C@H]1C[NH3+] 251860833 572657236 /nfs/dbraw/zinc/65/72/36/572657236.db2.gz SUJIFTWCCHTQEP-RKDXNWHRSA-N 2 1 156.273 0.923 10 0 ACAEMP CCCC[NH2+]C[C@@H]1C[C@H](O)C[NH2+]1 85081240 572655819 /nfs/dbraw/zinc/65/58/19/572655819.db2.gz FWHSBELKTXFXDJ-IUCAKERBSA-N 2 1 172.272 0.099 10 0 ACAEMP C[NH2+]C[C@](C)(O)Cc1cc[nH+]c(N)c1 85075223 572655862 /nfs/dbraw/zinc/65/58/62/572655862.db2.gz MGGUOOASLWSIDI-SNVBAGLBSA-N 2 1 195.266 0.177 10 0 ACAEMP O[C@@H]1C[NH2+][C@H](C[NH2+]CCC2CC2)C1 85082497 572656022 /nfs/dbraw/zinc/65/60/22/572656022.db2.gz CDLURJPJDQXVBP-UWVGGRQHSA-N 2 1 184.283 0.099 10 0 ACAEMP O[C@H]1C[NH2+][C@H](C[NH2+]CCC2CC2)C1 85082501 572656106 /nfs/dbraw/zinc/65/61/06/572656106.db2.gz CDLURJPJDQXVBP-VHSXEESVSA-N 2 1 184.283 0.099 10 0 ACAEMP CCCC[NH2+]C[C@H]1C[C@H](O)C[NH2+]1 85081243 572656201 /nfs/dbraw/zinc/65/62/01/572656201.db2.gz FWHSBELKTXFXDJ-BDAKNGLRSA-N 2 1 172.272 0.099 10 0 ACAEMP C[NH2+]C[C@@](C)(O)Cc1ccc[nH+]c1N 85075582 572656391 /nfs/dbraw/zinc/65/63/91/572656391.db2.gz AQUYNDJZUHZXGU-JTQLQIEISA-N 2 1 195.266 0.177 10 0 ACAEMP C[NH2+]C[C@](C)(O)Cc1ccc[nH+]c1N 85075581 572656462 /nfs/dbraw/zinc/65/64/62/572656462.db2.gz AQUYNDJZUHZXGU-SNVBAGLBSA-N 2 1 195.266 0.177 10 0 ACAEMP C[NH2+]CC[C@@H]1CCCC[N@H+]1CCO 70192904 572656466 /nfs/dbraw/zinc/65/64/66/572656466.db2.gz NRWJCFDVZSGNSS-JTQLQIEISA-N 2 1 186.299 0.443 10 0 ACAEMP CCC(=[NH2+])N1C[C@@H](O)C[C@@H]1C[NH+](C)C 85084513 572656520 /nfs/dbraw/zinc/65/65/20/572656520.db2.gz FYDTYRKPSPBHMS-BDAKNGLRSA-N 2 1 199.298 0.370 10 0 ACAEMP C[C@@H]1COCC[N@H+]1[C@H]1CC[C@@H](C[NH3+])C1 251889732 572657445 /nfs/dbraw/zinc/65/74/45/572657445.db2.gz VLOQARNZIYTTGM-MXWKQRLJSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1COCC[N@H+]1[C@H]1CC[C@H](C[NH3+])C1 251889734 572657546 /nfs/dbraw/zinc/65/75/46/572657546.db2.gz VLOQARNZIYTTGM-VWYCJHECSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCN1[C@@H]1CC[C@@H]([NH3+])C1 235284548 572658294 /nfs/dbraw/zinc/65/82/94/572658294.db2.gz RKGDYVZEDWIHIU-GMTAPVOTSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@@H]1CN(C)CC[N@@H+]1[C@@H]1CC[C@@H]([NH3+])C1 235284548 572658298 /nfs/dbraw/zinc/65/82/98/572658298.db2.gz RKGDYVZEDWIHIU-GMTAPVOTSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@@H]1CN(C)CC[N@H+]1[C@@H]1CC[C@@H]([NH3+])C1 235284548 572658303 /nfs/dbraw/zinc/65/83/03/572658303.db2.gz RKGDYVZEDWIHIU-GMTAPVOTSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@@H]1COCC[N@H+]1[C@@H]1CC[C@@H](C[NH3+])C1 251889730 572658378 /nfs/dbraw/zinc/65/83/78/572658378.db2.gz VLOQARNZIYTTGM-GMTAPVOTSA-N 2 1 198.310 0.835 10 0 ACAEMP CC[C@@H](C)[N@@H+]1CCCN(C)[C@@H](C[NH3+])C1 251930272 572659547 /nfs/dbraw/zinc/65/95/47/572659547.db2.gz REFREHSJSADDBT-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@@H](C)[N@H+]1CCCN(C)[C@@H](C[NH3+])C1 251930272 572659551 /nfs/dbraw/zinc/65/95/51/572659551.db2.gz REFREHSJSADDBT-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP CO[C@@H](C)CC[NH2+][C@@H](C)C[NH3+] 307859225 572658944 /nfs/dbraw/zinc/65/89/44/572658944.db2.gz FHUAFPQPJSGQBT-YUMQZZPRSA-N 2 1 160.261 0.348 10 0 ACAEMP CO[C@H](C)CC[NH2+][C@H](C)C[NH3+] 307859220 572659423 /nfs/dbraw/zinc/65/94/23/572659423.db2.gz FHUAFPQPJSGQBT-HTQZYQBOSA-N 2 1 160.261 0.348 10 0 ACAEMP CO[C@H](C)CC[NH2+][C@@H](C)C[NH3+] 307859222 572659490 /nfs/dbraw/zinc/65/94/90/572659490.db2.gz FHUAFPQPJSGQBT-JGVFFNPUSA-N 2 1 160.261 0.348 10 0 ACAEMP C[NH2+]C[C@@H](C)CN1CC[N@@H+](C)C[C@H]1C 251925232 572660168 /nfs/dbraw/zinc/66/01/68/572660168.db2.gz YGWWPCCXTARLBO-GHMZBOCLSA-N 2 1 199.342 0.478 10 0 ACAEMP CC[C@H](C)[N@@H+]1CCCN(C)[C@@H](C[NH3+])C1 251930274 572661329 /nfs/dbraw/zinc/66/13/29/572661329.db2.gz REFREHSJSADDBT-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@H](C)[N@H+]1CCCN(C)[C@@H](C[NH3+])C1 251930274 572661335 /nfs/dbraw/zinc/66/13/35/572661335.db2.gz REFREHSJSADDBT-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP C[NH2+]C[C@@H](C)CN1CC[N@@H+](C)C[C@@H]1C 251925233 572661867 /nfs/dbraw/zinc/66/18/67/572661867.db2.gz YGWWPCCXTARLBO-MNOVXSKESA-N 2 1 199.342 0.478 10 0 ACAEMP CC[C@@H](C[NH3+])c1c[nH+]cn1C 74343013 572672316 /nfs/dbraw/zinc/67/23/16/572672316.db2.gz MHELQXXCGMZWDZ-ZETCQYMHSA-N 2 1 153.229 0.872 10 0 ACAEMP C[C@@H]1C[C@H]([C@@H](O)C[NH3+])CC[N@H+]1C 252191336 572666711 /nfs/dbraw/zinc/66/67/11/572666711.db2.gz UYXJNDWHMXWXLT-HLTSFMKQSA-N 2 1 172.272 0.036 10 0 ACAEMP C[N@@H+]1CCc2c(C[NH3+])coc2C1 74337559 572664224 /nfs/dbraw/zinc/66/42/24/572664224.db2.gz JVYRKJTTZYLEFW-UHFFFAOYSA-N 2 1 166.224 0.726 10 0 ACAEMP C[N@H+]1CCc2c(C[NH3+])coc2C1 74337559 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DXDXTGDIKLYAEX-NXEZZACHSA-N 2 1 186.299 0.251 10 0 ACAEMP C[NH+](C)CCC[NH2+]C(C)(C)CC[NH3+] 116211164 572671027 /nfs/dbraw/zinc/67/10/27/572671027.db2.gz WMJMMDBQJHYFCF-UHFFFAOYSA-N 3 1 187.331 0.655 10 0 ACAEMP C[NH+](C)C[C@@H](O)C[N@H+](C)CC1CC1 308089006 572671096 /nfs/dbraw/zinc/67/10/96/572671096.db2.gz DORWVFNRONGWCL-SNVBAGLBSA-N 2 1 186.299 0.251 10 0 ACAEMP C[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CC1 308089006 572671099 /nfs/dbraw/zinc/67/10/99/572671099.db2.gz DORWVFNRONGWCL-SNVBAGLBSA-N 2 1 186.299 0.251 10 0 ACAEMP C[C@H](CO)[N@@H+](C)C[C@H]1CC[NH+](C)C1 308089256 572671126 /nfs/dbraw/zinc/67/11/26/572671126.db2.gz DXDXTGDIKLYAEX-ZJUUUORDSA-N 2 1 186.299 0.251 10 0 ACAEMP C[C@H](CO)[NH+](C)C[C@H]1CC[N@H+](C)C1 308089256 572671132 /nfs/dbraw/zinc/67/11/32/572671132.db2.gz DXDXTGDIKLYAEX-ZJUUUORDSA-N 2 1 186.299 0.251 10 0 ACAEMP C[C@H](CO)[NH+](C)C[C@H]1CC[N@@H+](C)C1 308089256 572671136 /nfs/dbraw/zinc/67/11/36/572671136.db2.gz DXDXTGDIKLYAEX-ZJUUUORDSA-N 2 1 186.299 0.251 10 0 ACAEMP C[C@@H](CO)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 308089249 572671262 /nfs/dbraw/zinc/67/12/62/572671262.db2.gz DXDXTGDIKLYAEX-VHSXEESVSA-N 2 1 186.299 0.251 10 0 ACAEMP C[C@@H](CO)[NH+](C)C[C@@H]1CC[N@H+](C)C1 308089249 572671264 /nfs/dbraw/zinc/67/12/64/572671264.db2.gz DXDXTGDIKLYAEX-VHSXEESVSA-N 2 1 186.299 0.251 10 0 ACAEMP C[C@@H](CO)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 308089249 572671268 /nfs/dbraw/zinc/67/12/68/572671268.db2.gz DXDXTGDIKLYAEX-VHSXEESVSA-N 2 1 186.299 0.251 10 0 ACAEMP CC(C)[C@H]1C[C@@H]([NH3+])C[N@H+](C)C1 74342410 572672059 /nfs/dbraw/zinc/67/20/59/572672059.db2.gz UZZLBWDEIZKBMF-DTWKUNHWSA-N 2 1 156.273 0.921 10 0 ACAEMP CC(C)[C@H]1C[C@@H]([NH3+])C[N@@H+](C)C1 74342410 572672063 /nfs/dbraw/zinc/67/20/63/572672063.db2.gz UZZLBWDEIZKBMF-DTWKUNHWSA-N 2 1 156.273 0.921 10 0 ACAEMP C[C@H](CO)C[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299893600 572672205 /nfs/dbraw/zinc/67/22/05/572672205.db2.gz MUEIZLQPOLTJJW-DCAQKATOSA-N 2 1 198.310 0.299 10 0 ACAEMP 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299893982 572674712 /nfs/dbraw/zinc/67/47/12/572674712.db2.gz RCZVZLSDTCLPNU-ZJUUUORDSA-N 2 1 198.310 0.441 10 0 ACAEMP CC(C)(O)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299893982 572674715 /nfs/dbraw/zinc/67/47/15/572674715.db2.gz RCZVZLSDTCLPNU-ZJUUUORDSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@H](O)[C@H](C)[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299893845 572674928 /nfs/dbraw/zinc/67/49/28/572674928.db2.gz PMTHXVNOCMKTGJ-NAKRPEOUSA-N 2 1 198.310 0.440 10 0 ACAEMP C[C@H](O)[C@H](C)[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299893845 572674934 /nfs/dbraw/zinc/67/49/34/572674934.db2.gz PMTHXVNOCMKTGJ-NAKRPEOUSA-N 2 1 198.310 0.440 10 0 ACAEMP C[C@H](O)[C@H](C)[N@@H+]1C[C@H]2[NH2+]CCC[C@@H]2C1 299893846 572674988 /nfs/dbraw/zinc/67/49/88/572674988.db2.gz PMTHXVNOCMKTGJ-UKKRHICBSA-N 2 1 198.310 0.440 10 0 ACAEMP Cc1[nH+]ccn1CC(C)(C)[NH3+] 74343055 572675054 /nfs/dbraw/zinc/67/50/54/572675054.db2.gz FVFXRIZELXVLDR-UHFFFAOYSA-N 2 1 153.229 0.929 10 0 ACAEMP CC(C)[C@@H]1C[C@@H]([NH3+])C[N@H+](C)C1 74342409 572675255 /nfs/dbraw/zinc/67/52/55/572675255.db2.gz UZZLBWDEIZKBMF-RKDXNWHRSA-N 2 1 156.273 0.921 10 0 ACAEMP CC(C)[C@@H]1C[C@@H]([NH3+])C[N@@H+](C)C1 74342409 572675261 /nfs/dbraw/zinc/67/52/61/572675261.db2.gz UZZLBWDEIZKBMF-RKDXNWHRSA-N 2 1 156.273 0.921 10 0 ACAEMP Cc1[nH+]c[nH]c1C(C)(C)C[NH3+] 74343015 572675351 /nfs/dbraw/zinc/67/53/51/572675351.db2.gz HODQSBIHCQXLMX-UHFFFAOYSA-N 2 1 153.229 0.954 10 0 ACAEMP CC(C)(O)C[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299893981 572675889 /nfs/dbraw/zinc/67/58/89/572675889.db2.gz RCZVZLSDTCLPNU-UWVGGRQHSA-N 2 1 198.310 0.441 10 0 ACAEMP CC(C)(O)C[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299893981 572675893 /nfs/dbraw/zinc/67/58/93/572675893.db2.gz RCZVZLSDTCLPNU-UWVGGRQHSA-N 2 1 198.310 0.441 10 0 ACAEMP CCN1[C@@H](C)CC[N@@H+](C)C[C@H]1C[NH2+]C 250368359 572675951 /nfs/dbraw/zinc/67/59/51/572675951.db2.gz VFCIFSRUBNAMLT-WDEREUQCSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[N@H+]1CC[C@H]([NH3+])[C@H]1C1CC(OC)C1 714526403 572676737 /nfs/dbraw/zinc/67/67/37/572676737.db2.gz NLGPWSWZEAXQQP-WFBLGPOFSA-N 2 1 198.310 0.833 10 0 ACAEMP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1C1CC(OC)C1 714526400 572676686 /nfs/dbraw/zinc/67/66/86/572676686.db2.gz NLGPWSWZEAXQQP-JPPWEJMLSA-N 2 1 198.310 0.833 10 0 ACAEMP C[C@H](O)[C@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299893844 572676799 /nfs/dbraw/zinc/67/67/99/572676799.db2.gz PMTHXVNOCMKTGJ-MMWGEVLESA-N 2 1 198.310 0.440 10 0 ACAEMP CC[N@H+]1CC[C@@]2(CC[C@H](C[NH3+])O2)C1 686234960 572677061 /nfs/dbraw/zinc/67/70/61/572677061.db2.gz NPEARPSTKASWMJ-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP CC[N@H+]1CC[C@]2(CC[C@@H](C[NH3+])O2)C1 686234959 572677182 /nfs/dbraw/zinc/67/71/82/572677182.db2.gz NPEARPSTKASWMJ-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP CC[C@H](C)[C@H](C[NH3+])[NH2+]C[C@H](C)OC 299893856 572677253 /nfs/dbraw/zinc/67/72/53/572677253.db2.gz PRDVKNUKHNWBPW-GUBZILKMSA-N 2 1 188.315 0.984 10 0 ACAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C1CC(OC)C1 714526402 572677334 /nfs/dbraw/zinc/67/73/34/572677334.db2.gz NLGPWSWZEAXQQP-TVUZUIDESA-N 2 1 198.310 0.833 10 0 ACAEMP CO[C@@H]1CCCC[C@]1(C[NH3+])[NH+](C)C 234788505 572677650 /nfs/dbraw/zinc/67/76/50/572677650.db2.gz XFYUDARHARZBCK-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[N@H+]1CC[C@@H]([NH2+]CCO)C[C@H]1C 252716596 572678476 /nfs/dbraw/zinc/67/84/76/572678476.db2.gz YVNMJCFLEAMQAD-NXEZZACHSA-N 2 1 186.299 0.441 10 0 ACAEMP CC[N@H+]1CC[C@H]([NH2+]CCO)C[C@H]1C 252716597 572679932 /nfs/dbraw/zinc/67/99/32/572679932.db2.gz YVNMJCFLEAMQAD-ZJUUUORDSA-N 2 1 186.299 0.441 10 0 ACAEMP CO[C@H]1CC[N@H+](C(C)(C)C[NH3+])C1 234791868 572681056 /nfs/dbraw/zinc/68/10/56/572681056.db2.gz QWFCWPVYQMAXGY-QMMMGPOBSA-N 2 1 172.272 0.444 10 0 ACAEMP C[C@@H]1[C@@H](C[NH3+])[C@@H](O)C(C)(C)[N@H+]1C1CC1 253483907 572683806 /nfs/dbraw/zinc/68/38/06/572683806.db2.gz CCTXSVZQBFDATH-SZEHBUNVSA-N 2 1 198.310 0.567 10 0 ACAEMP c1nc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)c[nH]1 87689792 572681483 /nfs/dbraw/zinc/68/14/83/572681483.db2.gz QJPBWDRFZPNKHN-UTLUCORTSA-N 2 1 193.250 0.819 10 0 ACAEMP C1C[NH2+][C@@H]2C[N@H+]([C@H]3CCOC3)C[C@H]2C1 299894558 572682264 /nfs/dbraw/zinc/68/22/64/572682264.db2.gz XUXYQRQRHDDQDT-OUAUKWLOSA-N 2 1 196.294 0.459 10 0 ACAEMP C1C[NH2+][C@@H]2C[N@@H+]([C@H]3CCOC3)C[C@H]2C1 299894558 572682268 /nfs/dbraw/zinc/68/22/68/572682268.db2.gz XUXYQRQRHDDQDT-OUAUKWLOSA-N 2 1 196.294 0.459 10 0 ACAEMP CCC[C@](C)(O)C[NH2+]CC[NH3+] 307867856 572683057 /nfs/dbraw/zinc/68/30/57/572683057.db2.gz KCXWVHLAEHWOJA-QMMMGPOBSA-N 2 1 160.261 0.086 10 0 ACAEMP CCC[C@@](C)(O)C[NH2+]CC[NH3+] 307867850 572683156 /nfs/dbraw/zinc/68/31/56/572683156.db2.gz KCXWVHLAEHWOJA-MRVPVSSYSA-N 2 1 160.261 0.086 10 0 ACAEMP C1C[NH2+][C@@H]2C[N@H+]([C@@H]3CCOC3)C[C@H]2C1 299894557 572683335 /nfs/dbraw/zinc/68/33/35/572683335.db2.gz XUXYQRQRHDDQDT-GMTAPVOTSA-N 2 1 196.294 0.459 10 0 ACAEMP C1C[NH2+][C@@H]2C[N@@H+]([C@@H]3CCOC3)C[C@H]2C1 299894557 572683338 /nfs/dbraw/zinc/68/33/38/572683338.db2.gz XUXYQRQRHDDQDT-GMTAPVOTSA-N 2 1 196.294 0.459 10 0 ACAEMP C[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])CO)C1 253246078 572683636 /nfs/dbraw/zinc/68/36/36/572683636.db2.gz GNHPIDLOSPDUPR-IWSPIJDZSA-N 2 1 172.272 0.084 10 0 ACAEMP C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])CO)C1 253246076 572683902 /nfs/dbraw/zinc/68/39/02/572683902.db2.gz GNHPIDLOSPDUPR-HRDYMLBCSA-N 2 1 172.272 0.084 10 0 ACAEMP C[C@@H]1[C@H](C[NH3+])[C@@H](O)C(C)(C)[N@H+]1C1CC1 253483906 572684400 /nfs/dbraw/zinc/68/44/00/572684400.db2.gz CCTXSVZQBFDATH-FKTZTGRPSA-N 2 1 198.310 0.567 10 0 ACAEMP C[C@@H]1CC(=O)[C@@H](CC[NH3+])[C@@H](C)[N@H+]1C 253484062 572684643 /nfs/dbraw/zinc/68/46/43/572684643.db2.gz DKJVZIFJIWVLCK-HLTSFMKQSA-N 2 1 184.283 0.633 10 0 ACAEMP CC[N@H+]1CCN(CC[NH3+])[C@@H](C(C)C)C1 250371662 572685033 /nfs/dbraw/zinc/68/50/33/572685033.db2.gz VTGOCTKDYYRJFY-LLVKDONJSA-N 2 1 199.342 0.607 10 0 ACAEMP CCn1cc[nH+]c1N1CC[NH2+]C[C@H]1C 54375322 572685093 /nfs/dbraw/zinc/68/50/93/572685093.db2.gz DQJKSOCDPHZKFR-SECBINFHSA-N 2 1 194.282 0.701 10 0 ACAEMP CC(C)[C@@H](C[NH3+])[NH2+][C@H](C)C[C@H](C)O 252754120 572686708 /nfs/dbraw/zinc/68/67/08/572686708.db2.gz IKGDORGPQWPNCM-KXUCPTDWSA-N 2 1 188.315 0.719 10 0 ACAEMP C[C@@H]1C[C@@H]1C[NH2+][C@@H](C[NH3+])[C@H]1CCCO1 252972346 572686804 /nfs/dbraw/zinc/68/68/04/572686804.db2.gz ZGLKJQWTOHWQGT-CHWFTXMASA-N 2 1 198.310 0.738 10 0 ACAEMP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])[C@H]1CCOC1 252966881 572686832 /nfs/dbraw/zinc/68/68/32/572686832.db2.gz SZYZJBURUPPFQE-LMLFDSFASA-N 2 1 198.310 0.596 10 0 ACAEMP CN(CC[NH+](C)C)c1cccc(N)[nH+]1 87731450 572688591 /nfs/dbraw/zinc/68/85/91/572688591.db2.gz CBFRTJWCTCMFAY-UHFFFAOYSA-N 2 1 194.282 0.662 10 0 ACAEMP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])[C@@H]1CCOC1 252966880 572686884 /nfs/dbraw/zinc/68/68/84/572686884.db2.gz SZYZJBURUPPFQE-GWOFURMSSA-N 2 1 198.310 0.596 10 0 ACAEMP CCN1[C@H](C)C[N@@H+](C)C[C@H]1CC[NH3+] 250253785 572688593 /nfs/dbraw/zinc/68/85/93/572688593.db2.gz IUOCGQFSKRRHHP-NXEZZACHSA-N 2 1 185.315 0.360 10 0 ACAEMP C[NH2+]C[C@H]1CCC[C@@H](C)[NH2+]1 66147107 572687148 /nfs/dbraw/zinc/68/71/48/572687148.db2.gz XDCGALGOJCSAIO-HTQZYQBOSA-N 2 1 142.246 0.736 10 0 ACAEMP C[C@@H]1C[C@@H]1C[NH2+][C@@H](C[NH3+])[C@H]1CCOC1 252966882 572687241 /nfs/dbraw/zinc/68/72/41/572687241.db2.gz SZYZJBURUPPFQE-YTWAJWBKSA-N 2 1 198.310 0.596 10 0 ACAEMP CCn1cc[nH+]c1N1CC[NH2+]C[C@@H]1C 54375320 572687367 /nfs/dbraw/zinc/68/73/67/572687367.db2.gz DQJKSOCDPHZKFR-VIFPVBQESA-N 2 1 194.282 0.701 10 0 ACAEMP CC[C@H](C[NH3+])[NH2+][C@@H](C)C[C@H](C)O 252747581 572687378 /nfs/dbraw/zinc/68/73/78/572687378.db2.gz CSKDRNAIVZTDOY-XHNCKOQMSA-N 2 1 174.288 0.473 10 0 ACAEMP CCC[N@@H+](C)CCNC[C@@H](C)C[NH3+] 688687897 572687383 /nfs/dbraw/zinc/68/73/83/572687383.db2.gz ZAZAYWLAZDVZKA-JTQLQIEISA-N 2 1 187.331 0.513 10 0 ACAEMP C[NH2+]C[C@@H]1CCC[C@@H](C)[NH2+]1 66147111 572687391 /nfs/dbraw/zinc/68/73/91/572687391.db2.gz XDCGALGOJCSAIO-SFYZADRCSA-N 2 1 142.246 0.736 10 0 ACAEMP CCC[N@@H+](C)CCNC[C@H](C)C[NH3+] 688687899 572687485 /nfs/dbraw/zinc/68/74/85/572687485.db2.gz ZAZAYWLAZDVZKA-SNVBAGLBSA-N 2 1 187.331 0.513 10 0 ACAEMP CC[C@](C)(C[NH3+])[NH2+][C@H](C)[C@H](C)CO 252935725 572687503 /nfs/dbraw/zinc/68/75/03/572687503.db2.gz FNCKEQFJRLMGRL-OPRDCNLKSA-N 2 1 188.315 0.720 10 0 ACAEMP C[NH2+]C[C@H]1CCC[C@H](C)[NH2+]1 66147109 572687528 /nfs/dbraw/zinc/68/75/28/572687528.db2.gz XDCGALGOJCSAIO-JGVFFNPUSA-N 2 1 142.246 0.736 10 0 ACAEMP C[C@H](CO)[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 252943001 572687571 /nfs/dbraw/zinc/68/75/71/572687571.db2.gz KGGQLNAMXYHOTO-NQMVMOMDSA-N 2 1 186.299 0.330 10 0 ACAEMP C[C@H](O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 252750102 572687593 /nfs/dbraw/zinc/68/75/93/572687593.db2.gz FTGSZPJDVCRKJY-KHQFGBGNSA-N 2 1 186.299 0.473 10 0 ACAEMP CC[C@](C)(C[NH3+])[NH2+][C@H](C)C[C@H](C)O 252777234 572687812 /nfs/dbraw/zinc/68/78/12/572687812.db2.gz YOKHNOLAKSEXKP-KXUCPTDWSA-N 2 1 188.315 0.863 10 0 ACAEMP CO[C@H](C)C[NH2+]C[C@H]1[NH2+]CC[C@H]1C 299895892 572687933 /nfs/dbraw/zinc/68/79/33/572687933.db2.gz DXGKPEXKGKASPR-OPRDCNLKSA-N 2 1 186.299 0.609 10 0 ACAEMP C[C@@H](O)C[NH2+]C[C@H]1CCC[C@@H](C)[NH2+]1 66147396 572687965 /nfs/dbraw/zinc/68/79/65/572687965.db2.gz HSQPYWCVTMHJGH-OPRDCNLKSA-N 2 1 186.299 0.487 10 0 ACAEMP CC[C@](C)(C[NH3+])[NH2+][C@@H](C)C[C@H](C)O 252777235 572687990 /nfs/dbraw/zinc/68/79/90/572687990.db2.gz YOKHNOLAKSEXKP-LPEHRKFASA-N 2 1 188.315 0.863 10 0 ACAEMP CC(C)[C@H](C[NH3+])[NH2+][C@H](C)[C@H](C)CO 252945656 572688037 /nfs/dbraw/zinc/68/80/37/572688037.db2.gz MBFLDGSNOMXXOW-BBBLOLIVSA-N 2 1 188.315 0.576 10 0 ACAEMP CC(C)[C@H](C[NH3+])[NH2+][C@@H](C)C[C@H](C)O 252754118 572688120 /nfs/dbraw/zinc/68/81/20/572688120.db2.gz IKGDORGPQWPNCM-GUBZILKMSA-N 2 1 188.315 0.719 10 0 ACAEMP CCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)CO 252933492 572688149 /nfs/dbraw/zinc/68/81/49/572688149.db2.gz CYYIPJZFFOHRRX-KXUCPTDWSA-N 2 1 188.315 0.720 10 0 ACAEMP C[C@@H](O)C[NH2+]C[C@@H]1CCC[C@@H](C)[NH2+]1 66147400 572688345 /nfs/dbraw/zinc/68/83/45/572688345.db2.gz HSQPYWCVTMHJGH-BBBLOLIVSA-N 2 1 186.299 0.487 10 0 ACAEMP CO[C@H](C)C[NH2+]C[C@@H]1[NH2+]CC[C@H]1C 299895891 572688409 /nfs/dbraw/zinc/68/84/09/572688409.db2.gz DXGKPEXKGKASPR-BBBLOLIVSA-N 2 1 186.299 0.609 10 0 ACAEMP CCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H](C)CO 252933494 572688410 /nfs/dbraw/zinc/68/84/10/572688410.db2.gz CYYIPJZFFOHRRX-OPRDCNLKSA-N 2 1 188.315 0.720 10 0 ACAEMP C[C@H]1CCC[C@@H](C[NH2+]C[C@@H](C)O)[NH2+]1 66147401 572688436 /nfs/dbraw/zinc/68/84/36/572688436.db2.gz HSQPYWCVTMHJGH-AEJSXWLSSA-N 2 1 186.299 0.487 10 0 ACAEMP CC[C@](C)(C[NH3+])[NH2+][C@@H](C)[C@H](C)CO 252935724 572688504 /nfs/dbraw/zinc/68/85/04/572688504.db2.gz FNCKEQFJRLMGRL-KXUCPTDWSA-N 2 1 188.315 0.720 10 0 ACAEMP CCn1c[nH+]cc1CC[NH2+]CCOC 85184510 572688665 /nfs/dbraw/zinc/68/86/65/572688665.db2.gz KFMHCRWMXPBXCK-UHFFFAOYSA-N 2 1 197.282 0.682 10 0 ACAEMP C[C@H](O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 252750104 572688746 /nfs/dbraw/zinc/68/87/46/572688746.db2.gz FTGSZPJDVCRKJY-OYNCUSHFSA-N 2 1 186.299 0.473 10 0 ACAEMP CC[C@H](C[NH3+])[NH2+][C@H](C)C[C@H](C)O 252747578 572688906 /nfs/dbraw/zinc/68/89/06/572688906.db2.gz CSKDRNAIVZTDOY-HRDYMLBCSA-N 2 1 174.288 0.473 10 0 ACAEMP C[NH2+]C[C@@H]1CCC[C@H](C)[NH2+]1 66147113 572688942 /nfs/dbraw/zinc/68/89/42/572688942.db2.gz XDCGALGOJCSAIO-YUMQZZPRSA-N 2 1 142.246 0.736 10 0 ACAEMP CC(C)[C@H](C[NH3+])[NH2+][C@H](C)C[C@H](C)O 252754124 572688959 /nfs/dbraw/zinc/68/89/59/572688959.db2.gz IKGDORGPQWPNCM-UTLUCORTSA-N 2 1 188.315 0.719 10 0 ACAEMP C[C@H](CO)[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 252943000 572689001 /nfs/dbraw/zinc/68/90/01/572689001.db2.gz KGGQLNAMXYHOTO-KHQFGBGNSA-N 2 1 186.299 0.330 10 0 ACAEMP CC(C)[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)CO 252945657 572689045 /nfs/dbraw/zinc/68/90/45/572689045.db2.gz MBFLDGSNOMXXOW-UTLUCORTSA-N 2 1 188.315 0.576 10 0 ACAEMP C[C@@H]1OCC[C@]1(C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252959385 572689111 /nfs/dbraw/zinc/68/91/11/572689111.db2.gz MDTYYISTJYPABO-LMLFDSFASA-N 2 1 198.310 0.738 10 0 ACAEMP CCN1[C@@H](C)C[N@@H+](C)C[C@H]1CC[NH3+] 250253789 572689304 /nfs/dbraw/zinc/68/93/04/572689304.db2.gz IUOCGQFSKRRHHP-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP CC(C)n1c[nH+]cc1C[C@H](C[NH3+])CO 85187782 572691270 /nfs/dbraw/zinc/69/12/70/572691270.db2.gz IYPCXXBZPZQWRN-SECBINFHSA-N 2 1 197.282 0.574 10 0 ACAEMP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])[C@H]1CCCO1 252972348 572689364 /nfs/dbraw/zinc/68/93/64/572689364.db2.gz ZGLKJQWTOHWQGT-GWOFURMSSA-N 2 1 198.310 0.738 10 0 ACAEMP CCC[C@H](C[NH3+])[NH2+][C@@H](C)C[C@H](C)O 252751440 572689529 /nfs/dbraw/zinc/68/95/29/572689529.db2.gz GNLACLREYDKAEQ-LPEHRKFASA-N 2 1 188.315 0.863 10 0 ACAEMP CCn1c[nH+]cc1[C@H]1C[C@@]1(C[NH3+])CO 85185532 572692154 /nfs/dbraw/zinc/69/21/54/572692154.db2.gz TVUTVBVATFUFTR-PSASIEDQSA-N 2 1 195.266 0.328 10 0 ACAEMP C[N@@H+](CCN)[C@@H]1CCCC[C@@H]1O 54419337 572689644 /nfs/dbraw/zinc/68/96/44/572689644.db2.gz KEHMHATXGADMKY-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+](CC[NH3+])[C@@H]1CCCC[C@@H]1O 54419337 572689648 /nfs/dbraw/zinc/68/96/48/572689648.db2.gz KEHMHATXGADMKY-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@@H+](CC[NH3+])[C@@H]1CCCC[C@@H]1O 54419337 572689651 /nfs/dbraw/zinc/68/96/51/572689651.db2.gz KEHMHATXGADMKY-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)CO 252938540 572689888 /nfs/dbraw/zinc/68/98/88/572689888.db2.gz HQRGPAUWKNZTRW-HRDYMLBCSA-N 2 1 174.288 0.330 10 0 ACAEMP CCn1c[nH+]cc1[C@@H]1C[C@]1(C[NH3+])CO 85185535 572689889 /nfs/dbraw/zinc/68/98/89/572689889.db2.gz TVUTVBVATFUFTR-WPRPVWTQSA-N 2 1 195.266 0.328 10 0 ACAEMP CCC[C@H](C[NH3+])[NH2+][C@H](C)C[C@H](C)O 252751439 572689908 /nfs/dbraw/zinc/68/99/08/572689908.db2.gz GNLACLREYDKAEQ-KXUCPTDWSA-N 2 1 188.315 0.863 10 0 ACAEMP CC[C@H](C[NH3+])[NH2+][C@H](C)[C@H](C)CO 252938541 572690002 /nfs/dbraw/zinc/69/00/02/572690002.db2.gz HQRGPAUWKNZTRW-IWSPIJDZSA-N 2 1 174.288 0.330 10 0 ACAEMP CC(C)n1c[nH+]cc1[C@H](C[NH3+])CCO 85189509 572690049 /nfs/dbraw/zinc/69/00/49/572690049.db2.gz LZXWNVZCSBFYMU-VIFPVBQESA-N 2 1 197.282 0.889 10 0 ACAEMP CC(C)[C@@H](C[NH3+])[NH2+][C@@H](C)C[C@H](C)O 252754122 572690063 /nfs/dbraw/zinc/69/00/63/572690063.db2.gz IKGDORGPQWPNCM-LPEHRKFASA-N 2 1 188.315 0.719 10 0 ACAEMP C[NH2+]C(C)(C)C[NH2+]CCSC 307871016 572690067 /nfs/dbraw/zinc/69/00/67/572690067.db2.gz LFPWYGTZQSZQHZ-UHFFFAOYSA-N 2 1 176.329 0.937 10 0 ACAEMP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])[C@@H]1CCCO1 252972347 572690082 /nfs/dbraw/zinc/69/00/82/572690082.db2.gz ZGLKJQWTOHWQGT-DBIOUOCHSA-N 2 1 198.310 0.738 10 0 ACAEMP [NH3+]C[C@H](CO)Cc1c[nH+]cn1C1CC1 85189623 572690155 /nfs/dbraw/zinc/69/01/55/572690155.db2.gz HGVGZCJVMSXZOI-MRVPVSSYSA-N 2 1 195.266 0.328 10 0 ACAEMP [NH3+]C[C@@H](CO)Cc1c[nH+]cn1C1CC1 85189621 572690201 /nfs/dbraw/zinc/69/02/01/572690201.db2.gz HGVGZCJVMSXZOI-QMMMGPOBSA-N 2 1 195.266 0.328 10 0 ACAEMP CCCn1c[nH+]cc1[C@@H](C[NH3+])CCO 85187646 572690487 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KEHMHATXGADMKY-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@@H+](CC[NH3+])[C@H]1CCCC[C@@H]1O 54419338 572691008 /nfs/dbraw/zinc/69/10/08/572691008.db2.gz KEHMHATXGADMKY-IUCAKERBSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@H]1[C@H](CCC[NH3+])[C@@H](O)CC[N@H+]1C 253485524 572691408 /nfs/dbraw/zinc/69/14/08/572691408.db2.gz PGMHVPINOYQIDK-UTLUCORTSA-N 2 1 186.299 0.426 10 0 ACAEMP CCn1c[nH+]cc1[C@@H]1C[C@@]1(C[NH3+])CO 85185531 572691867 /nfs/dbraw/zinc/69/18/67/572691867.db2.gz TVUTVBVATFUFTR-WCBMZHEXSA-N 2 1 195.266 0.328 10 0 ACAEMP CC(C)n1c[nH+]cc1C[C@@H](C[NH3+])CO 85187781 572691883 /nfs/dbraw/zinc/69/18/83/572691883.db2.gz IYPCXXBZPZQWRN-VIFPVBQESA-N 2 1 197.282 0.574 10 0 ACAEMP CCn1c[nH+]cc1[C@@H](C[NH3+])CCO 85185881 572692271 /nfs/dbraw/zinc/69/22/71/572692271.db2.gz GUJBILKDLUWJCL-MRVPVSSYSA-N 2 1 183.255 0.328 10 0 ACAEMP CCCn1c[nH+]cc1[C@H](C[NH3+])CCO 85187645 572692369 /nfs/dbraw/zinc/69/23/69/572692369.db2.gz JGPYNZNLTWYKAQ-VIFPVBQESA-N 2 1 197.282 0.718 10 0 ACAEMP C[C@@H]1[C@@H](CCC[NH3+])[C@@H](O)CC[N@H+]1C 253485523 572692382 /nfs/dbraw/zinc/69/23/82/572692382.db2.gz PGMHVPINOYQIDK-BBBLOLIVSA-N 2 1 186.299 0.426 10 0 ACAEMP CCn1c[nH+]cc1[C@H](CCO)[C@@H](C)[NH3+] 85185889 572692708 /nfs/dbraw/zinc/69/27/08/572692708.db2.gz MDSZGWXVLUQWAW-RKDXNWHRSA-N 2 1 197.282 0.716 10 0 ACAEMP CC(C)[N@H+]1C[C@H](C[NH3+])[C@@H](O)[C@@H]1C 253485174 572692741 /nfs/dbraw/zinc/69/27/41/572692741.db2.gz MLUUCDJESMESEE-CIUDSAMLSA-N 2 1 172.272 0.035 10 0 ACAEMP CC(C)[N@H+]1C[C@H](C[NH3+])[C@@H](O)[C@H]1C 253485176 572692922 /nfs/dbraw/zinc/69/29/22/572692922.db2.gz MLUUCDJESMESEE-VGMNWLOBSA-N 2 1 172.272 0.035 10 0 ACAEMP CCCn1c[nH+]cc1C[C@H](C[NH3+])CO 85186096 572692923 /nfs/dbraw/zinc/69/29/23/572692923.db2.gz CQHXJWWROBIACV-SECBINFHSA-N 2 1 197.282 0.403 10 0 ACAEMP C[C@@H]1[C@@H](CC[NH3+])[C@@H](O)CC[N@H+]1C 253485707 572694120 /nfs/dbraw/zinc/69/41/20/572694120.db2.gz QMTYPBODXNPABS-HLTSFMKQSA-N 2 1 172.272 0.036 10 0 ACAEMP CCn1c[nH+]cc1[C@H](C[NH3+])CCO 85185879 572693185 /nfs/dbraw/zinc/69/31/85/572693185.db2.gz GUJBILKDLUWJCL-QMMMGPOBSA-N 2 1 183.255 0.328 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@H]1COCC[C@@H]1[NH3+] 299969693 572693188 /nfs/dbraw/zinc/69/31/88/572693188.db2.gz RGNUFKTUDPHAQG-VWYCJHECSA-N 2 1 198.310 0.835 10 0 ACAEMP CCn1c[nH+]cc1[C@H](CCO)[C@H](C)[NH3+] 85185894 572693215 /nfs/dbraw/zinc/69/32/15/572693215.db2.gz MDSZGWXVLUQWAW-DTWKUNHWSA-N 2 1 197.282 0.716 10 0 ACAEMP CC(C)[N@H+]1C[C@H](C[NH3+])[C@H](O)[C@H]1C 253485175 572693296 /nfs/dbraw/zinc/69/32/96/572693296.db2.gz MLUUCDJESMESEE-HRDYMLBCSA-N 2 1 172.272 0.035 10 0 ACAEMP CCn1c[nH+]cc1[C@H]1C[C@]1(C[NH3+])CO 85185537 572693411 /nfs/dbraw/zinc/69/34/11/572693411.db2.gz TVUTVBVATFUFTR-SCZZXKLOSA-N 2 1 195.266 0.328 10 0 ACAEMP C[C@@H]1C[C@H](O)[C@@H](CC[NH3+])C[N@H+]1C 253485449 572693777 /nfs/dbraw/zinc/69/37/77/572693777.db2.gz ORJWGRIEOJTKSX-VGMNWLOBSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@@H]1S[C@]2(CC[N@@H+](C)C2)C[C@@H]1[NH3+] 253485697 572694004 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LZXWNVZCSBFYMU-SECBINFHSA-N 2 1 197.282 0.889 10 0 ACAEMP CCn1c[nH+]cc1[C@@H](CCO)[C@@H](C)[NH3+] 85185886 572694772 /nfs/dbraw/zinc/69/47/72/572694772.db2.gz MDSZGWXVLUQWAW-BDAKNGLRSA-N 2 1 197.282 0.716 10 0 ACAEMP [NH3+]C/C=C1\CC[N@H+]2CCC[C@H]12 307872436 572694883 /nfs/dbraw/zinc/69/48/83/572694883.db2.gz RXVVLLUHCFDPLS-QZGLAHODSA-N 2 1 152.241 0.740 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1COCC[C@H]1[NH3+] 299969691 572695011 /nfs/dbraw/zinc/69/50/11/572695011.db2.gz RGNUFKTUDPHAQG-GMTAPVOTSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1C[C@@H](O)[C@@H](CCC[NH3+])C[N@H+]1C 253485979 572695113 /nfs/dbraw/zinc/69/51/13/572695113.db2.gz SYCMKSYJYCDREG-KXUCPTDWSA-N 2 1 186.299 0.426 10 0 ACAEMP C[NH2+]CCCCc1c[nH+]cn1C 85169268 572695390 /nfs/dbraw/zinc/69/53/90/572695390.db2.gz PNFBYHPJPUGNJS-UHFFFAOYSA-N 2 1 167.256 0.962 10 0 ACAEMP C[C@@H]1[C@H](C[NH3+])[C@@H](O)C(C)(C)[N@H+]1C 253486716 572695877 /nfs/dbraw/zinc/69/58/77/572695877.db2.gz ZDMQMUGBLOVYJS-GJMOJQLCSA-N 2 1 172.272 0.035 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@H]1COCC[C@H]1[NH3+] 299969692 572696004 /nfs/dbraw/zinc/69/60/04/572696004.db2.gz RGNUFKTUDPHAQG-OUAUKWLOSA-N 2 1 198.310 0.835 10 0 ACAEMP [NH3+]C/C=C1\CC[N@H+]2CCC[C@@H]12 307872431 572696252 /nfs/dbraw/zinc/69/62/52/572696252.db2.gz RXVVLLUHCFDPLS-IPQKIJNHSA-N 2 1 152.241 0.740 10 0 ACAEMP [NH3+]C[C@H]([NH2+]CCCCO)C1CCC1 236165529 572696534 /nfs/dbraw/zinc/69/65/34/572696534.db2.gz DTVUMAVXFHRWME-JTQLQIEISA-N 2 1 186.299 0.476 10 0 ACAEMP C[C@@H]1[C@@H](C[NH3+])[C@@H](O)C(C)(C)[N@H+]1C 253486715 572696570 /nfs/dbraw/zinc/69/65/70/572696570.db2.gz ZDMQMUGBLOVYJS-BWZBUEFSSA-N 2 1 172.272 0.035 10 0 ACAEMP CC(C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])[C@H]1C 253486807 572696616 /nfs/dbraw/zinc/69/66/16/572696616.db2.gz ZTIABWUVSFHREK-VGMNWLOBSA-N 2 1 172.272 0.035 10 0 ACAEMP [NH3+]C[C@H]([NH2+]CCCCO)C1CC1 236165395 572696678 /nfs/dbraw/zinc/69/66/78/572696678.db2.gz ZIYCAHQVCFLZOU-VIFPVBQESA-N 2 1 172.272 0.086 10 0 ACAEMP C[C@@H]1[C@@H]2CC[NH2+][C@H]2CC[N@H+]1C 253486467 572696821 /nfs/dbraw/zinc/69/68/21/572696821.db2.gz XHKDPXXVVCZNCE-VGMNWLOBSA-N 2 1 154.257 0.689 10 0 ACAEMP C[C@H]1C[NH2+]CC[C@@H]1[N@H+]1CCC[C@@H]1CO 404619025 572697169 /nfs/dbraw/zinc/69/71/69/572697169.db2.gz VTMVVJPXKDWGHR-AXFHLTTASA-N 2 1 198.310 0.441 10 0 ACAEMP CC(C)[N@H+]1C[C@H](O)[C@H](C[NH3+])[C@H]1C 253486806 572697173 /nfs/dbraw/zinc/69/71/73/572697173.db2.gz ZTIABWUVSFHREK-HLTSFMKQSA-N 2 1 172.272 0.035 10 0 ACAEMP COCC[NH2+]CCc1c[nH+]cn1C 85169438 572697522 /nfs/dbraw/zinc/69/75/22/572697522.db2.gz HZAQZKASNRBCFF-UHFFFAOYSA-N 2 1 183.255 0.199 10 0 ACAEMP CC(C)[N@H+]1C[C@H](O)[C@H](C[NH3+])[C@@H]1C 253486808 572697626 /nfs/dbraw/zinc/69/76/26/572697626.db2.gz ZTIABWUVSFHREK-YIZRAAEISA-N 2 1 172.272 0.035 10 0 ACAEMP C[C@@H]1C[C@H](O)[C@@H](CCC[NH3+])C[N@H+]1C 253485980 572697643 /nfs/dbraw/zinc/69/76/43/572697643.db2.gz SYCMKSYJYCDREG-UTLUCORTSA-N 2 1 186.299 0.426 10 0 ACAEMP CCC[NH2+]CCc1c[nH+]cn1C 85169409 572697674 /nfs/dbraw/zinc/69/76/74/572697674.db2.gz FJEUSDVIMVAIAK-UHFFFAOYSA-N 2 1 167.256 0.962 10 0 ACAEMP Cn1c[nH+]cc1CC[NH2+]C1CC1 85169426 572697837 /nfs/dbraw/zinc/69/78/37/572697837.db2.gz VBDJJNJGGWMPET-UHFFFAOYSA-N 2 1 165.240 0.715 10 0 ACAEMP C[C@@H]1C[C@H](O)[C@H](CC[NH3+])[C@@H](C)[N@H+]1C 253486797 572697866 /nfs/dbraw/zinc/69/78/66/572697866.db2.gz ZQSNPRRFSGCGGZ-KYXWUPHJSA-N 2 1 186.299 0.425 10 0 ACAEMP C[N@@H+](C[C@H]1COCC[C@H]1[NH3+])C1CCC1 299970585 572697868 /nfs/dbraw/zinc/69/78/68/572697868.db2.gz VOMZQWYNRAIJFF-GXSJLCMTSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1[C@H]2CC[NH2+][C@H]2CC[N@H+]1C 253486466 572697925 /nfs/dbraw/zinc/69/79/25/572697925.db2.gz XHKDPXXVVCZNCE-HLTSFMKQSA-N 2 1 154.257 0.689 10 0 ACAEMP C[C@H]1C[NH2+]CC[C@H]1[N@H+]1CCC[C@@H]1CO 404619026 572698151 /nfs/dbraw/zinc/69/81/51/572698151.db2.gz VTMVVJPXKDWGHR-HBNTYKKESA-N 2 1 198.310 0.441 10 0 ACAEMP C[NH2+][C@H](C)CCc1c[nH+]cn1C 85169465 572698360 /nfs/dbraw/zinc/69/83/60/572698360.db2.gz AYNDAQREAULSJZ-MRVPVSSYSA-N 2 1 167.256 0.961 10 0 ACAEMP C[N@@H+](C[C@@H]1COCC[C@H]1[NH3+])C1CCC1 299970587 572698924 /nfs/dbraw/zinc/69/89/24/572698924.db2.gz VOMZQWYNRAIJFF-MWLCHTKSSA-N 2 1 198.310 0.835 10 0 ACAEMP COC[C@H](C)C[N@H+](C)C[C@H](C)[NH3+] 308096415 572699116 /nfs/dbraw/zinc/69/91/16/572699116.db2.gz YUVFGJHMLMULQF-BDAKNGLRSA-N 2 1 174.288 0.548 10 0 ACAEMP COC[C@H](C)C[N@@H+](C)C[C@H](C)[NH3+] 308096415 572699118 /nfs/dbraw/zinc/69/91/18/572699118.db2.gz YUVFGJHMLMULQF-BDAKNGLRSA-N 2 1 174.288 0.548 10 0 ACAEMP CCC(CC)(CO)[NH2+]CC[NH3+] 307871961 572699198 /nfs/dbraw/zinc/69/91/98/572699198.db2.gz LWATUWKBSWCLOZ-UHFFFAOYSA-N 2 1 160.261 0.086 10 0 ACAEMP COC[C@@H](C)C[N@H+](C)C[C@@H](C)[NH3+] 308096416 572699609 /nfs/dbraw/zinc/69/96/09/572699609.db2.gz YUVFGJHMLMULQF-DTWKUNHWSA-N 2 1 174.288 0.548 10 0 ACAEMP COC[C@@H](C)C[N@@H+](C)C[C@@H](C)[NH3+] 308096416 572699611 /nfs/dbraw/zinc/69/96/11/572699611.db2.gz YUVFGJHMLMULQF-DTWKUNHWSA-N 2 1 174.288 0.548 10 0 ACAEMP C[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1c1[nH]cc[nH+]1 307623512 572699645 /nfs/dbraw/zinc/69/96/45/572699645.db2.gz DZMPRLUHTVQYNJ-HRDYMLBCSA-N 2 1 192.266 0.454 10 0 ACAEMP CC[C@H]([NH3+])[C@@H](CCO)c1c[nH+]cn1C 85182864 572699711 /nfs/dbraw/zinc/69/97/11/572699711.db2.gz FJCYOKFPFQDDCW-BDAKNGLRSA-N 2 1 197.282 0.623 10 0 ACAEMP CC[N@H+]1CCCN(C[C@H](C)[NH2+]C)CC1 250374813 572699831 /nfs/dbraw/zinc/69/98/31/572699831.db2.gz WFMBMQNLQDMTIL-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP C[C@@H]1CC[N@@H+](CCC[NH3+])C[C@H]1O 299961087 572699853 /nfs/dbraw/zinc/69/98/53/572699853.db2.gz AYXUHSBDMDGGCZ-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP CCn1c[nH+]cc1C[C@H](C[NH3+])CO 85183121 572700021 /nfs/dbraw/zinc/70/00/21/572700021.db2.gz GSTLIOZSYZJQDX-MRVPVSSYSA-N 2 1 183.255 0.013 10 0 ACAEMP CC[N@@H+](C)CCn1cncc1CO 85215732 572700050 /nfs/dbraw/zinc/70/00/50/572700050.db2.gz MVEUYBYDXOIXOR-UHFFFAOYSA-N 2 1 183.255 0.327 10 0 ACAEMP C[C@H]1CC[N@@H+](CCC[NH3+])C[C@H]1O 299961086 572700074 /nfs/dbraw/zinc/70/00/74/572700074.db2.gz AYXUHSBDMDGGCZ-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@H]([NH3+])[C@H](CCO)c1c[nH+]cn1C 85182867 572700416 /nfs/dbraw/zinc/70/04/16/572700416.db2.gz FJCYOKFPFQDDCW-IUCAKERBSA-N 2 1 197.282 0.623 10 0 ACAEMP C[C@H]([NH3+])[C@H](CCO)c1c[nH+]cn1C 85182860 572700197 /nfs/dbraw/zinc/70/01/97/572700197.db2.gz MDINGEGVXJWDGL-YUMQZZPRSA-N 2 1 183.255 0.233 10 0 ACAEMP C[C@@H]([NH3+])[C@@H](CCO)c1c[nH+]cn1C 85182858 572700605 /nfs/dbraw/zinc/70/06/05/572700605.db2.gz MDINGEGVXJWDGL-HTQZYQBOSA-N 2 1 183.255 0.233 10 0 ACAEMP C[C@@H]1C[C@@H](C)[N@@H+](CCCNC(N)=[NH2+])C1 238419322 572700710 /nfs/dbraw/zinc/70/07/10/572700710.db2.gz SMJYKQCVYOFCBF-RKDXNWHRSA-N 2 1 198.314 0.590 10 0 ACAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1c1[nH]cc[nH+]1 307623514 572700754 /nfs/dbraw/zinc/70/07/54/572700754.db2.gz DZMPRLUHTVQYNJ-VGMNWLOBSA-N 2 1 192.266 0.454 10 0 ACAEMP C[C@@H](O)C(C[NH+](C)C)C[NH+](C)C 238421432 572700955 /nfs/dbraw/zinc/70/09/55/572700955.db2.gz PMAVVUXFMLPKII-MRVPVSSYSA-N 2 1 174.288 0.107 10 0 ACAEMP C[C@H](CCCO)[N@@H+]1CCC[C@@H]([NH3+])C1 238420269 572701003 /nfs/dbraw/zinc/70/10/03/572701003.db2.gz XCURLHBVTYYIBW-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@H](CCCO)[N@H+]1CCC[C@@H]([NH3+])C1 238420269 572701005 /nfs/dbraw/zinc/70/10/05/572701005.db2.gz XCURLHBVTYYIBW-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@H](CCCO)[N@@H+]1CCC[C@@H]1C[NH3+] 238420323 572701039 /nfs/dbraw/zinc/70/10/39/572701039.db2.gz UYEQHCALPMYLCC-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@H](CCCO)[N@H+]1CCC[C@@H]1C[NH3+] 238420323 572701042 /nfs/dbraw/zinc/70/10/42/572701042.db2.gz UYEQHCALPMYLCC-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1[nH]cc[nH+]1 307623513 572701087 /nfs/dbraw/zinc/70/10/87/572701087.db2.gz DZMPRLUHTVQYNJ-IWSPIJDZSA-N 2 1 192.266 0.454 10 0 ACAEMP CC[C@@H]([NH3+])[C@@H](CCO)c1c[nH+]cn1C 85182866 572701116 /nfs/dbraw/zinc/70/11/16/572701116.db2.gz FJCYOKFPFQDDCW-RKDXNWHRSA-N 2 1 197.282 0.623 10 0 ACAEMP C[C@H]([NH3+])[C@@H](CCO)c1c[nH+]cn1C 85182855 572701419 /nfs/dbraw/zinc/70/14/19/572701419.db2.gz MDINGEGVXJWDGL-JGVFFNPUSA-N 2 1 183.255 0.233 10 0 ACAEMP Cn1c[nH+]cc1[C@H](CCO)C(C)(C)[NH3+] 85182846 572702217 /nfs/dbraw/zinc/70/22/17/572702217.db2.gz SLJGKJABDSSSFG-QMMMGPOBSA-N 2 1 197.282 0.623 10 0 ACAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1[nH]cc[nH+]1 307623511 572701672 /nfs/dbraw/zinc/70/16/72/572701672.db2.gz DZMPRLUHTVQYNJ-HLTSFMKQSA-N 2 1 192.266 0.454 10 0 ACAEMP COC[C@@H](C)C[N@H+](C)C[C@H](C)[NH3+] 308096417 572701595 /nfs/dbraw/zinc/70/15/95/572701595.db2.gz YUVFGJHMLMULQF-IUCAKERBSA-N 2 1 174.288 0.548 10 0 ACAEMP COC[C@@H](C)C[N@@H+](C)C[C@H](C)[NH3+] 308096417 572701599 /nfs/dbraw/zinc/70/15/99/572701599.db2.gz YUVFGJHMLMULQF-IUCAKERBSA-N 2 1 174.288 0.548 10 0 ACAEMP C[C@@H]1C[C@@H](C)[N@@H+](CCN(C)C(N)=[NH2+])C1 238419346 572701793 /nfs/dbraw/zinc/70/17/93/572701793.db2.gz OTNLCVZMJQBNGK-RKDXNWHRSA-N 2 1 198.314 0.542 10 0 ACAEMP 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CC[NH+](C)CCC[N@H+](C)[C@H](C)CO 308117616 572775553 /nfs/dbraw/zinc/77/55/53/572775553.db2.gz CEJUDLVWAZXMGL-SNVBAGLBSA-N 2 1 188.315 0.641 10 0 ACAEMP CC[NH+](C)CCC[N@@H+](C)[C@H](C)CO 308117616 572775558 /nfs/dbraw/zinc/77/55/58/572775558.db2.gz CEJUDLVWAZXMGL-SNVBAGLBSA-N 2 1 188.315 0.641 10 0 ACAEMP CCC[N@@H+](C)C[C@H](O)CN(C)C 307927841 572775588 /nfs/dbraw/zinc/77/55/88/572775588.db2.gz RZXSAMIWNDICBD-SECBINFHSA-N 2 1 174.288 0.251 10 0 ACAEMP CCC[N@H+](C)C[C@H](O)C[NH+](C)C 307927841 572775595 /nfs/dbraw/zinc/77/55/95/572775595.db2.gz RZXSAMIWNDICBD-SECBINFHSA-N 2 1 174.288 0.251 10 0 ACAEMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)CC1CC1 85621026 572776080 /nfs/dbraw/zinc/77/60/80/572776080.db2.gz CJFWCGWWUYOUIM-NSHDSACASA-N 2 1 198.310 0.707 10 0 ACAEMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1CO 307927389 572776100 /nfs/dbraw/zinc/77/61/00/572776100.db2.gz QKAGJIROUVYQFW-BDAKNGLRSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)CC1CC1 85621021 572776200 /nfs/dbraw/zinc/77/62/00/572776200.db2.gz CJFWCGWWUYOUIM-LLVKDONJSA-N 2 1 198.310 0.707 10 0 ACAEMP CC[C@@H]1CCC[N@H+]1C[C@H](O)CC[NH3+] 308117956 572776376 /nfs/dbraw/zinc/77/63/76/572776376.db2.gz ATPVOAWYUDKTLQ-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)C1CC1 85620779 572776546 /nfs/dbraw/zinc/77/65/46/572776546.db2.gz BCIGTQROAYGCNK-JTQLQIEISA-N 2 1 184.283 0.459 10 0 ACAEMP C[NH2+]C[C@H](O)CC[N@H+]1CC[C@H](C)C1 308118417 572776831 /nfs/dbraw/zinc/77/68/31/572776831.db2.gz BMFHREDZLHUHSJ-VHSXEESVSA-N 2 1 186.299 0.299 10 0 ACAEMP C[C@H]1C[N@H+]([C@@H]2CCCOC2)CC[C@@H]1[NH3+] 71014039 572777128 /nfs/dbraw/zinc/77/71/28/572777128.db2.gz MJFUMNHAWIKANY-AXFHLTTASA-N 2 1 198.310 0.835 10 0 ACAEMP OC1CC(C[NH2+]C[C@@H]2CCCC[NH2+]2)C1 236477339 572777336 /nfs/dbraw/zinc/77/73/36/572777336.db2.gz ZOUZTBMSKBGEBH-YVNMAJEFSA-N 2 1 198.310 0.489 10 0 ACAEMP C1C[C@@H]2[C@@H](N3CC[NH2+]CC3)CC[N@H+]2C1 49568641 572777473 /nfs/dbraw/zinc/77/74/73/572777473.db2.gz VATCCNVBNKWLFW-MNOVXSKESA-N 2 1 195.310 0.128 10 0 ACAEMP OCCC1(C[NH2+]C[C@H]2CCC[NH2+]2)CC1 236476551 572778225 /nfs/dbraw/zinc/77/82/25/572778225.db2.gz RTCBATMTURLCRV-SNVBAGLBSA-N 2 1 198.310 0.491 10 0 ACAEMP CC[N@@H+](C)CCCOCCC[NH3+] 308118309 572778318 /nfs/dbraw/zinc/77/83/18/572778318.db2.gz NKKRCMNPUIHMBP-UHFFFAOYSA-N 2 1 174.288 0.694 10 0 ACAEMP OCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 49564826 572778397 /nfs/dbraw/zinc/77/83/97/572778397.db2.gz XDEUBEVHDYAXHZ-UWVGGRQHSA-N 2 1 184.283 0.195 10 0 ACAEMP C[NH2+]C[C@H](O)CC[N@H+]1CC[C@@H](C)C1 308118415 572778430 /nfs/dbraw/zinc/77/84/30/572778430.db2.gz BMFHREDZLHUHSJ-NXEZZACHSA-N 2 1 186.299 0.299 10 0 ACAEMP C[NH2+]C[C@@H](O)CC[N@H+]1CC[C@H](C)C1 308118416 572778439 /nfs/dbraw/zinc/77/84/39/572778439.db2.gz BMFHREDZLHUHSJ-UWVGGRQHSA-N 2 1 186.299 0.299 10 0 ACAEMP CC[C@H]1CCC[N@H+]1C[C@H](O)CC[NH3+] 308117958 572778471 /nfs/dbraw/zinc/77/84/71/572778471.db2.gz ATPVOAWYUDKTLQ-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP C1C[C@@H]2[C@H](N3CC[NH2+]CC3)CC[N@H+]2C1 49568638 572778512 /nfs/dbraw/zinc/77/85/12/572778512.db2.gz VATCCNVBNKWLFW-GHMZBOCLSA-N 2 1 195.310 0.128 10 0 ACAEMP OCC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 49564827 572778607 /nfs/dbraw/zinc/77/86/07/572778607.db2.gz XDEUBEVHDYAXHZ-ZJUUUORDSA-N 2 1 184.283 0.195 10 0 ACAEMP CC[C@@H]1CCC[N@H+]1C[C@@H](O)CC[NH3+] 308117959 572778627 /nfs/dbraw/zinc/77/86/27/572778627.db2.gz ATPVOAWYUDKTLQ-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP CC[C@H]1CCC[N@H+]1C[C@@H](O)CC[NH3+] 308117957 572778638 /nfs/dbraw/zinc/77/86/38/572778638.db2.gz ATPVOAWYUDKTLQ-UWVGGRQHSA-N 2 1 186.299 0.571 10 0 ACAEMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C 307930127 572778816 /nfs/dbraw/zinc/77/88/16/572778816.db2.gz WCBJSSCQESEAJE-VIFPVBQESA-N 2 1 174.288 0.249 10 0 ACAEMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C 307930127 572778819 /nfs/dbraw/zinc/77/88/19/572778819.db2.gz WCBJSSCQESEAJE-VIFPVBQESA-N 2 1 174.288 0.249 10 0 ACAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C 307930127 572778822 /nfs/dbraw/zinc/77/88/22/572778822.db2.gz WCBJSSCQESEAJE-VIFPVBQESA-N 2 1 174.288 0.249 10 0 ACAEMP OCCC1(C[NH2+]C[C@@H]2CCC[NH2+]2)CC1 236476375 572778931 /nfs/dbraw/zinc/77/89/31/572778931.db2.gz RTCBATMTURLCRV-JTQLQIEISA-N 2 1 198.310 0.491 10 0 ACAEMP CO[C@H]1CCCC[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 234838093 572779059 /nfs/dbraw/zinc/77/90/59/572779059.db2.gz TXYVYNMYEBKILJ-MXWKQRLJSA-N 2 1 198.310 0.977 10 0 ACAEMP CO[C@H]1CCCC[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 234838093 572779063 /nfs/dbraw/zinc/77/90/63/572779063.db2.gz TXYVYNMYEBKILJ-MXWKQRLJSA-N 2 1 198.310 0.977 10 0 ACAEMP CN(C[C@H](O)C[NH+](C)C)C1CC1 308119076 572779645 /nfs/dbraw/zinc/77/96/45/572779645.db2.gz NXTLOESOGLJJSF-SECBINFHSA-N 2 1 172.272 0.003 10 0 ACAEMP CO[C@@H]1CCC[C@H]1[N@H+](C)CCN 308119970 572779690 /nfs/dbraw/zinc/77/96/90/572779690.db2.gz OOGGQGRWRCAMBY-RKDXNWHRSA-N 2 1 172.272 0.444 10 0 ACAEMP CO[C@@H]1CCC[C@H]1[N@@H+](C)CCN 308119970 572779693 /nfs/dbraw/zinc/77/96/93/572779693.db2.gz OOGGQGRWRCAMBY-RKDXNWHRSA-N 2 1 172.272 0.444 10 0 ACAEMP C[NH2+]C[C@H](O)CC[N@@H+](C)CC1CC1 308119271 572779739 /nfs/dbraw/zinc/77/97/39/572779739.db2.gz CDVDAHKMPKKLRV-SNVBAGLBSA-N 2 1 186.299 0.299 10 0 ACAEMP C1C[C@H]2[C@@H](N3CC[NH2+]CC3)CC[N@H+]2C1 49568642 572779876 /nfs/dbraw/zinc/77/98/76/572779876.db2.gz VATCCNVBNKWLFW-QWRGUYRKSA-N 2 1 195.310 0.128 10 0 ACAEMP C[C@@H](CCC[NH3+])[NH2+]Cc1c[nH]cn1 308119329 572780630 /nfs/dbraw/zinc/78/06/30/572780630.db2.gz CGGZOZLRCJFSIM-QMMMGPOBSA-N 2 1 182.271 0.627 10 0 ACAEMP CC(C)[N@@H+](C)C[C@H](O)CN(C)C 307930122 572780321 /nfs/dbraw/zinc/78/03/21/572780321.db2.gz WCBJSSCQESEAJE-SECBINFHSA-N 2 1 174.288 0.249 10 0 ACAEMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C 307930122 572780323 /nfs/dbraw/zinc/78/03/23/572780323.db2.gz WCBJSSCQESEAJE-SECBINFHSA-N 2 1 174.288 0.249 10 0 ACAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C 307930122 572780326 /nfs/dbraw/zinc/78/03/26/572780326.db2.gz WCBJSSCQESEAJE-SECBINFHSA-N 2 1 174.288 0.249 10 0 ACAEMP CO[C@H]1CCC[C@H]1[N@H+](C)CCN 308119967 572780849 /nfs/dbraw/zinc/78/08/49/572780849.db2.gz OOGGQGRWRCAMBY-BDAKNGLRSA-N 2 1 172.272 0.444 10 0 ACAEMP CO[C@H]1CCC[C@H]1[N@@H+](C)CCN 308119967 572780853 /nfs/dbraw/zinc/78/08/53/572780853.db2.gz OOGGQGRWRCAMBY-BDAKNGLRSA-N 2 1 172.272 0.444 10 0 ACAEMP CO[C@H]1CCC[C@@H]1[N@H+](C)CCN 308119969 572780972 /nfs/dbraw/zinc/78/09/72/572780972.db2.gz OOGGQGRWRCAMBY-IUCAKERBSA-N 2 1 172.272 0.444 10 0 ACAEMP CO[C@H]1CCC[C@@H]1[N@@H+](C)CCN 308119969 572780975 /nfs/dbraw/zinc/78/09/75/572780975.db2.gz OOGGQGRWRCAMBY-IUCAKERBSA-N 2 1 172.272 0.444 10 0 ACAEMP C[C@H](CCC[NH3+])[NH2+]Cc1c[nH]cn1 308119327 572781076 /nfs/dbraw/zinc/78/10/76/572781076.db2.gz CGGZOZLRCJFSIM-MRVPVSSYSA-N 2 1 182.271 0.627 10 0 ACAEMP OCC1([NH2+]C[C@@H]2CCC[NH2+]2)CCC1 236482956 572781126 /nfs/dbraw/zinc/78/11/26/572781126.db2.gz FLQVJXFQHXRBDK-VIFPVBQESA-N 2 1 184.283 0.243 10 0 ACAEMP CC(C)COCCC[NH2+]CC[NH3+] 308119951 572781168 /nfs/dbraw/zinc/78/11/68/572781168.db2.gz OMVBGTCFUWDEET-UHFFFAOYSA-N 2 1 174.288 0.597 10 0 ACAEMP OCC1([NH2+]C[C@H]2CCC[NH2+]2)CCC1 236483691 572781169 /nfs/dbraw/zinc/78/11/69/572781169.db2.gz FLQVJXFQHXRBDK-SECBINFHSA-N 2 1 184.283 0.243 10 0 ACAEMP CO[C@@H]1CCC[C@@H]1[N@@H+](C)CCN 308119968 572781499 /nfs/dbraw/zinc/78/14/99/572781499.db2.gz OOGGQGRWRCAMBY-DTWKUNHWSA-N 2 1 172.272 0.444 10 0 ACAEMP C[NH2+]C[C@@H](O)CC[N@@H+](C)CC1CC1 308119269 572781229 /nfs/dbraw/zinc/78/12/29/572781229.db2.gz CDVDAHKMPKKLRV-JTQLQIEISA-N 2 1 186.299 0.299 10 0 ACAEMP CO[C@@H]1CCC[C@@H]1[N@H+](C)CCN 308119968 572781493 /nfs/dbraw/zinc/78/14/93/572781493.db2.gz OOGGQGRWRCAMBY-DTWKUNHWSA-N 2 1 172.272 0.444 10 0 ACAEMP C1C[C@H]2[C@H](N3CC[NH2+]CC3)CC[N@H+]2C1 49568639 572781774 /nfs/dbraw/zinc/78/17/74/572781774.db2.gz VATCCNVBNKWLFW-WDEREUQCSA-N 2 1 195.310 0.128 10 0 ACAEMP CN(C[C@@H](O)C[NH+](C)C)C1CC1 308119081 572782020 /nfs/dbraw/zinc/78/20/20/572782020.db2.gz NXTLOESOGLJJSF-VIFPVBQESA-N 2 1 172.272 0.003 10 0 ACAEMP OCC1([NH2+]C[C@@H]2CCC[NH2+]2)CCCC1 236482967 572782187 /nfs/dbraw/zinc/78/21/87/572782187.db2.gz QPOYAXPKYLSBPG-JTQLQIEISA-N 2 1 198.310 0.633 10 0 ACAEMP CC[C@H](C)[N@@H+](C)CC[C@H](O)C[NH2+]C 308128786 572782509 /nfs/dbraw/zinc/78/25/09/572782509.db2.gz GOATTZXEKJHJEJ-UWVGGRQHSA-N 2 1 188.315 0.687 10 0 ACAEMP C[C@@H](CO)[N@@H+](C)[C@H](C)CCCC[NH3+] 308128817 572782664 /nfs/dbraw/zinc/78/26/64/572782664.db2.gz GQZSFZOXEPOYNH-ZJUUUORDSA-N 2 1 188.315 0.817 10 0 ACAEMP C[NH2+]C[C@@H](O)CC[N@@H+](C)CC(C)C 308128718 572782750 /nfs/dbraw/zinc/78/27/50/572782750.db2.gz GGFFQJOWBOCABI-JTQLQIEISA-N 2 1 188.315 0.545 10 0 ACAEMP C[NH2+]C[C@@H](O)CCn1cc[nH+]c1C 308129541 572782841 /nfs/dbraw/zinc/78/28/41/572782841.db2.gz HOVMJZTVJORCHO-VIFPVBQESA-N 2 1 183.255 0.162 10 0 ACAEMP C[NH2+]C[C@H](O)CC[N@@H+](C)CC(C)C 308128719 572783042 /nfs/dbraw/zinc/78/30/42/572783042.db2.gz GGFFQJOWBOCABI-SNVBAGLBSA-N 2 1 188.315 0.545 10 0 ACAEMP CO[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H]1C[NH3+] 299908823 572783137 /nfs/dbraw/zinc/78/31/37/572783137.db2.gz JAVMSZYRBBHFPW-AEJSXWLSSA-N 2 1 186.299 0.690 10 0 ACAEMP CO[C@H](C)C[N@H+]1CC[C@H](C)[C@@H]1C[NH3+] 299908823 572783140 /nfs/dbraw/zinc/78/31/40/572783140.db2.gz JAVMSZYRBBHFPW-AEJSXWLSSA-N 2 1 186.299 0.690 10 0 ACAEMP C[C@@H](CO)[N@@H+](C)[C@@H](C)CCCC[NH3+] 308128815 572783272 /nfs/dbraw/zinc/78/32/72/572783272.db2.gz GQZSFZOXEPOYNH-UWVGGRQHSA-N 2 1 188.315 0.817 10 0 ACAEMP CC[C@@H](COC)[NH2+]CC(C)(C)[NH2+]C 308128738 572783493 /nfs/dbraw/zinc/78/34/93/572783493.db2.gz GJGJHGIZDHXECA-VIFPVBQESA-N 2 1 188.315 0.999 10 0 ACAEMP CO[C@H](C)[C@@H](C)[N@H+](C)C[C@@H](C)[NH3+] 308129260 572783520 /nfs/dbraw/zinc/78/35/20/572783520.db2.gz WUCRHUOMSHHRHA-IWSPIJDZSA-N 2 1 174.288 0.689 10 0 ACAEMP CO[C@H](C)[C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+] 308129260 572783525 /nfs/dbraw/zinc/78/35/25/572783525.db2.gz WUCRHUOMSHHRHA-IWSPIJDZSA-N 2 1 174.288 0.689 10 0 ACAEMP CO[C@H](C)[C@H](C)[N@H+](C)C[C@@H](C)[NH3+] 308129259 572783764 /nfs/dbraw/zinc/78/37/64/572783764.db2.gz WUCRHUOMSHHRHA-HRDYMLBCSA-N 2 1 174.288 0.689 10 0 ACAEMP CO[C@H](C)[C@H](C)[N@@H+](C)C[C@@H](C)[NH3+] 308129259 572783767 /nfs/dbraw/zinc/78/37/67/572783767.db2.gz WUCRHUOMSHHRHA-HRDYMLBCSA-N 2 1 174.288 0.689 10 0 ACAEMP CC[C@@H](C)[N@@H+](C)CC[C@@H](O)C[NH2+]C 308128785 572783795 /nfs/dbraw/zinc/78/37/95/572783795.db2.gz GOATTZXEKJHJEJ-NXEZZACHSA-N 2 1 188.315 0.687 10 0 ACAEMP C[NH2+]C[C@H](O)CCn1cc[nH+]c1C 308129540 572784047 /nfs/dbraw/zinc/78/40/47/572784047.db2.gz HOVMJZTVJORCHO-SECBINFHSA-N 2 1 183.255 0.162 10 0 ACAEMP C[C@H](CO)[N@@H+](C)[C@H](C)CCCC[NH3+] 308128814 572784391 /nfs/dbraw/zinc/78/43/91/572784391.db2.gz GQZSFZOXEPOYNH-NXEZZACHSA-N 2 1 188.315 0.817 10 0 ACAEMP CO[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H]1C[NH3+] 299908826 572784410 /nfs/dbraw/zinc/78/44/10/572784410.db2.gz JAVMSZYRBBHFPW-OPRDCNLKSA-N 2 1 186.299 0.690 10 0 ACAEMP CO[C@H](C)C[N@H+]1CC[C@@H](C)[C@H]1C[NH3+] 299908826 572784412 /nfs/dbraw/zinc/78/44/12/572784412.db2.gz JAVMSZYRBBHFPW-OPRDCNLKSA-N 2 1 186.299 0.690 10 0 ACAEMP CC[C@H](COC)[NH2+]CC(C)(C)[NH2+]C 308128736 572784541 /nfs/dbraw/zinc/78/45/41/572784541.db2.gz GJGJHGIZDHXECA-SECBINFHSA-N 2 1 188.315 0.999 10 0 ACAEMP OCCC[NH2+]C[C@@H]1CCCC[NH2+]1 236493180 572784675 /nfs/dbraw/zinc/78/46/75/572784675.db2.gz VDIVNJHDGARDMF-VIFPVBQESA-N 2 1 172.272 0.101 10 0 ACAEMP OC1(C[NH2+]C[C@@H]2CCC[NH2+]2)CCC1 236487209 572784710 /nfs/dbraw/zinc/78/47/10/572784710.db2.gz ISHRRPUXBPTSOV-VIFPVBQESA-N 2 1 184.283 0.243 10 0 ACAEMP CC[C@@H](C)[N@@H+](C)CC[C@H](O)C[NH2+]C 308128788 572784784 /nfs/dbraw/zinc/78/47/84/572784784.db2.gz GOATTZXEKJHJEJ-ZJUUUORDSA-N 2 1 188.315 0.687 10 0 ACAEMP CO[C@@H]1C[NH2+][C@@H](C[NH2+]CCCF)C1 308128946 572784795 /nfs/dbraw/zinc/78/47/95/572784795.db2.gz CPFCVVWIYXDEGY-BDAKNGLRSA-N 2 1 190.262 0.313 10 0 ACAEMP OC1(C[NH2+]C[C@H]2CCCCN2)CCC1 236487367 572784850 /nfs/dbraw/zinc/78/48/50/572784850.db2.gz ITZOTUQONXRIJK-SNVBAGLBSA-N 2 1 198.310 0.633 10 0 ACAEMP OC1(C[NH2+]C[C@H]2CCCC[NH2+]2)CCC1 236487367 572784852 /nfs/dbraw/zinc/78/48/52/572784852.db2.gz ITZOTUQONXRIJK-SNVBAGLBSA-N 2 1 198.310 0.633 10 0 ACAEMP CO[C@H](C)C[N@@H+]1CC[C@H](C)[C@H]1C[NH3+] 299908825 572784881 /nfs/dbraw/zinc/78/48/81/572784881.db2.gz JAVMSZYRBBHFPW-IVZWLZJFSA-N 2 1 186.299 0.690 10 0 ACAEMP CO[C@H](C)C[N@H+]1CC[C@H](C)[C@H]1C[NH3+] 299908825 572784887 /nfs/dbraw/zinc/78/48/87/572784887.db2.gz JAVMSZYRBBHFPW-IVZWLZJFSA-N 2 1 186.299 0.690 10 0 ACAEMP C[N@@H+](CCO)CCCCC[NH3+] 49580746 572784907 /nfs/dbraw/zinc/78/49/07/572784907.db2.gz CJQOIJVIJRYLRK-UHFFFAOYSA-N 2 1 160.261 0.040 10 0 ACAEMP C[C@@H](CCCC[NH3+])[N@H+](C)[C@H](C)CO 308128816 572785151 /nfs/dbraw/zinc/78/51/51/572785151.db2.gz GQZSFZOXEPOYNH-VHSXEESVSA-N 2 1 188.315 0.817 10 0 ACAEMP Cn1c[nH+]cc1CCSC(N)=[NH2+] 238530900 572785321 /nfs/dbraw/zinc/78/53/21/572785321.db2.gz SYJDYSIUVFZKSU-UHFFFAOYSA-N 2 1 184.268 0.589 10 0 ACAEMP OCCC[NH2+]C[C@H]1CCCC[NH2+]1 236493334 572785381 /nfs/dbraw/zinc/78/53/81/572785381.db2.gz VDIVNJHDGARDMF-SECBINFHSA-N 2 1 172.272 0.101 10 0 ACAEMP OC1(C[NH2+]C[C@@H]2CCCCN2)CCC1 236487150 572785771 /nfs/dbraw/zinc/78/57/71/572785771.db2.gz ITZOTUQONXRIJK-JTQLQIEISA-N 2 1 198.310 0.633 10 0 ACAEMP OC1(C[NH2+]C[C@@H]2CCCC[NH2+]2)CCC1 236487150 572785775 /nfs/dbraw/zinc/78/57/75/572785775.db2.gz ITZOTUQONXRIJK-JTQLQIEISA-N 2 1 198.310 0.633 10 0 ACAEMP OCC[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C1 236492484 572785863 /nfs/dbraw/zinc/78/58/63/572785863.db2.gz QDQRNKPRMITADP-QWRGUYRKSA-N 2 1 198.310 0.443 10 0 ACAEMP OCC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)C1 236492484 572785868 /nfs/dbraw/zinc/78/58/68/572785868.db2.gz QDQRNKPRMITADP-QWRGUYRKSA-N 2 1 198.310 0.443 10 0 ACAEMP OCC1(C[NH2+]C[C@@H]2CCC[NH2+]2)CC1 236490021 572785894 /nfs/dbraw/zinc/78/58/94/572785894.db2.gz OOKWGFRGCYDWCC-VIFPVBQESA-N 2 1 184.283 0.101 10 0 ACAEMP C[NH+](C)CCC(N)CC[NH+](C)C 141597955 572786280 /nfs/dbraw/zinc/78/62/80/572786280.db2.gz NEODHDNZCYQDEI-UHFFFAOYSA-N 2 1 173.304 0.217 10 0 ACAEMP OCC1(C[NH2+]C[C@@H]2CCCC[NH2+]2)CC1 236489976 572786365 /nfs/dbraw/zinc/78/63/65/572786365.db2.gz FFIRESOZRLYAHM-JTQLQIEISA-N 2 1 198.310 0.491 10 0 ACAEMP C[N@@H+](CCCOCC[NH3+])C1CCC1 308131480 572786369 /nfs/dbraw/zinc/78/63/69/572786369.db2.gz FANWPOPRXTZUQG-UHFFFAOYSA-N 2 1 186.299 0.836 10 0 ACAEMP OC1(C[NH2+]C[C@H]2CCC[NH2+]2)CCCC1 236487425 572786746 /nfs/dbraw/zinc/78/67/46/572786746.db2.gz YVZVDNFJAFHING-SNVBAGLBSA-N 2 1 198.310 0.633 10 0 ACAEMP OCC1(C[NH2+]C[C@H]2CCC[NH2+]2)CC1 236490366 572787293 /nfs/dbraw/zinc/78/72/93/572787293.db2.gz OOKWGFRGCYDWCC-SECBINFHSA-N 2 1 184.283 0.101 10 0 ACAEMP OC1(C[NH2+]C[C@H]2CCC[NH2+]2)CCC1 236487416 572787312 /nfs/dbraw/zinc/78/73/12/572787312.db2.gz ISHRRPUXBPTSOV-SECBINFHSA-N 2 1 184.283 0.243 10 0 ACAEMP OC1(C[NH2+]C[C@@H]2CCC[NH2+]2)CCCC1 236487218 572787633 /nfs/dbraw/zinc/78/76/33/572787633.db2.gz YVZVDNFJAFHING-JTQLQIEISA-N 2 1 198.310 0.633 10 0 ACAEMP C[C@@H]1CCCC[N@H+]1C[C@H](O)CC[NH3+] 308131647 572790615 /nfs/dbraw/zinc/79/06/15/572790615.db2.gz JQKNTYURYWCDAX-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP OCCCCNC[C@@H]1CCCC[NH2+]1 236497968 572789003 /nfs/dbraw/zinc/78/90/03/572789003.db2.gz RXMNMNAAEHMTTF-JTQLQIEISA-N 2 1 186.299 0.491 10 0 ACAEMP OCCCC[NH2+]C[C@@H]1CCCC[NH2+]1 236497968 572789005 /nfs/dbraw/zinc/78/90/05/572789005.db2.gz RXMNMNAAEHMTTF-JTQLQIEISA-N 2 1 186.299 0.491 10 0 ACAEMP Nc1cc[nH+]cc1[C@@H]([NH3+])CCCO 713753606 572789313 /nfs/dbraw/zinc/78/93/13/572789313.db2.gz NLSVNNGOHSAPGI-QMMMGPOBSA-N 2 1 181.239 0.266 10 0 ACAEMP OCC[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C1 236497588 572789533 /nfs/dbraw/zinc/78/95/33/572789533.db2.gz QDQRNKPRMITADP-MNOVXSKESA-N 2 1 198.310 0.443 10 0 ACAEMP OCC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)C1 236497588 572789535 /nfs/dbraw/zinc/78/95/35/572789535.db2.gz QDQRNKPRMITADP-MNOVXSKESA-N 2 1 198.310 0.443 10 0 ACAEMP CO[C@H]1CC[N@@H+](C2(C[NH3+])CCC2)C1 234844133 572789799 /nfs/dbraw/zinc/78/97/99/572789799.db2.gz RYCUXMYFDWBWSS-VIFPVBQESA-N 2 1 184.283 0.589 10 0 ACAEMP CC[C@H](C)[N@@H+](CCO)C[C@H](C)C[NH3+] 308127760 572791356 /nfs/dbraw/zinc/79/13/56/572791356.db2.gz BYIFFAQKCRLZDW-ZJUUUORDSA-N 2 1 188.315 0.674 10 0 ACAEMP CC[N@@H+](C)C[C@H](O)CC(C)(C)C[NH3+] 308128353 572790327 /nfs/dbraw/zinc/79/03/27/572790327.db2.gz GBGZWLQKJCSXEO-SECBINFHSA-N 2 1 188.315 0.674 10 0 ACAEMP C[C@@H]1CCCC[N@H+]1C[C@@H](O)CC[NH3+] 308131650 572790397 /nfs/dbraw/zinc/79/03/97/572790397.db2.gz JQKNTYURYWCDAX-ZJUUUORDSA-N 2 1 186.299 0.571 10 0 ACAEMP OCCCC[NH2+]C[C@H]1CCC[NH2+]1 236498715 572790597 /nfs/dbraw/zinc/79/05/97/572790597.db2.gz PPWHOKRZHSTITL-SECBINFHSA-N 2 1 172.272 0.101 10 0 ACAEMP OCCCC[NH2+]C[C@H]1CCCC[NH2+]1 236498698 572790782 /nfs/dbraw/zinc/79/07/82/572790782.db2.gz RXMNMNAAEHMTTF-SNVBAGLBSA-N 2 1 186.299 0.491 10 0 ACAEMP C[C@H]1CCCC[N@H+]1C[C@@H](O)CC[NH3+] 308131648 572791163 /nfs/dbraw/zinc/79/11/63/572791163.db2.gz JQKNTYURYWCDAX-UWVGGRQHSA-N 2 1 186.299 0.571 10 0 ACAEMP Nc1cc[nH+]cc1[C@H]([NH3+])CCCO 713753604 572791444 /nfs/dbraw/zinc/79/14/44/572791444.db2.gz NLSVNNGOHSAPGI-MRVPVSSYSA-N 2 1 181.239 0.266 10 0 ACAEMP OCCCC[NH2+]C[C@@H]1CCC[NH2+]1 236497992 572791485 /nfs/dbraw/zinc/79/14/85/572791485.db2.gz PPWHOKRZHSTITL-VIFPVBQESA-N 2 1 172.272 0.101 10 0 ACAEMP CC[C@@H](C)[N@@H+](CCO)C[C@H](C)C[NH3+] 308127756 572791675 /nfs/dbraw/zinc/79/16/75/572791675.db2.gz BYIFFAQKCRLZDW-NXEZZACHSA-N 2 1 188.315 0.674 10 0 ACAEMP CC[C@@H](C)[N@@H+](CCO)C[C@@H](C)C[NH3+] 308127759 572791716 /nfs/dbraw/zinc/79/17/16/572791716.db2.gz BYIFFAQKCRLZDW-VHSXEESVSA-N 2 1 188.315 0.674 10 0 ACAEMP C[N@H+]1CC[C@H](CN2CCC[NH2+]CC2)C1 49660619 572791929 /nfs/dbraw/zinc/79/19/29/572791929.db2.gz HCNYYELYEYTMJP-NSHDSACASA-N 2 1 197.326 0.233 10 0 ACAEMP CN1CC[N@@H+](C)[C@H]2CC[C@H]([NH3+])C[C@H]21 250410552 572791976 /nfs/dbraw/zinc/79/19/76/572791976.db2.gz WCECYGTZUNDZNO-LPEHRKFASA-N 2 1 183.299 0.112 10 0 ACAEMP CC[C@H](C)[N@@H+](CCO)C[C@@H](C)C[NH3+] 308127758 572792088 /nfs/dbraw/zinc/79/20/88/572792088.db2.gz BYIFFAQKCRLZDW-UWVGGRQHSA-N 2 1 188.315 0.674 10 0 ACAEMP CO[C@@H]1CC[N@H+](C2(C[NH3+])CCC2)C1 234846748 572792210 /nfs/dbraw/zinc/79/22/10/572792210.db2.gz RYCUXMYFDWBWSS-SECBINFHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@@H]1CC[N@@H+](C)CCC[NH2+]1 49663002 572792545 /nfs/dbraw/zinc/79/25/45/572792545.db2.gz BOGQZAYKEOYBTD-MRVPVSSYSA-N 2 1 142.246 0.690 10 0 ACAEMP C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)CC[NH2+]1 49660743 572792749 /nfs/dbraw/zinc/79/27/49/572792749.db2.gz NLJJPGKXVLPQNV-MNOVXSKESA-N 2 1 198.310 0.849 10 0 ACAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)CC[NH2+]1 49660743 572792752 /nfs/dbraw/zinc/79/27/52/572792752.db2.gz NLJJPGKXVLPQNV-MNOVXSKESA-N 2 1 198.310 0.849 10 0 ACAEMP CC[N@@H+](C)C[C@@H](O)CC(C)(C)C[NH3+] 308128354 572792798 /nfs/dbraw/zinc/79/27/98/572792798.db2.gz GBGZWLQKJCSXEO-VIFPVBQESA-N 2 1 188.315 0.674 10 0 ACAEMP CC[N@H+](CC1CC1)C[C@H](O)CC[NH3+] 308127548 572792839 /nfs/dbraw/zinc/79/28/39/572792839.db2.gz FKRCQBZNFDUVIX-SNVBAGLBSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@H]1CC[N@@H+](C2CC2)CC[NH2+]1 49661517 572792940 /nfs/dbraw/zinc/79/29/40/572792940.db2.gz XIENJDNVGVQENB-QMMMGPOBSA-N 2 1 154.257 0.833 10 0 ACAEMP C[C@H]1CC[N@H+](C2CC2)CC[NH2+]1 49661517 572792941 /nfs/dbraw/zinc/79/29/41/572792941.db2.gz XIENJDNVGVQENB-QMMMGPOBSA-N 2 1 154.257 0.833 10 0 ACAEMP CC(C)[NH2+]CCC[NH2+]CCF 307934276 572793025 /nfs/dbraw/zinc/79/30/25/572793025.db2.gz WWZMBIQRCAZYIA-UHFFFAOYSA-N 2 1 162.252 0.934 10 0 ACAEMP C[C@@H]1CC[N@@H+](C2CC2)CC[NH2+]1 49661515 572793052 /nfs/dbraw/zinc/79/30/52/572793052.db2.gz XIENJDNVGVQENB-MRVPVSSYSA-N 2 1 154.257 0.833 10 0 ACAEMP C[C@@H]1CC[N@H+](C2CC2)CC[NH2+]1 49661515 572793056 /nfs/dbraw/zinc/79/30/56/572793056.db2.gz XIENJDNVGVQENB-MRVPVSSYSA-N 2 1 154.257 0.833 10 0 ACAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](C)C1 49663016 572793228 /nfs/dbraw/zinc/79/32/28/572793228.db2.gz ZQJPLGZOWLDWIO-RKDXNWHRSA-N 2 1 156.273 0.936 10 0 ACAEMP CN1CC[N@@H+](C)[C@@H]2CC[C@@H]([NH3+])C[C@H]21 250410557 572793714 /nfs/dbraw/zinc/79/37/14/572793714.db2.gz WCECYGTZUNDZNO-OPRDCNLKSA-N 2 1 183.299 0.112 10 0 ACAEMP CN1CC[N@@H+](C)[C@@H]2CC[C@H]([NH3+])C[C@H]21 250410543 572794734 /nfs/dbraw/zinc/79/47/34/572794734.db2.gz WCECYGTZUNDZNO-IVZWLZJFSA-N 2 1 183.299 0.112 10 0 ACAEMP CC[C@@H]1CC[N@H+](C)CC[NH2+]1 49660793 572794239 /nfs/dbraw/zinc/79/42/39/572794239.db2.gz WRAZHCOALWPHQB-MRVPVSSYSA-N 2 1 142.246 0.690 10 0 ACAEMP CC[C@@H]1CC[N@@H+](C)CC[NH2+]1 49660793 572794241 /nfs/dbraw/zinc/79/42/41/572794241.db2.gz WRAZHCOALWPHQB-MRVPVSSYSA-N 2 1 142.246 0.690 10 0 ACAEMP C[C@H]1CC[N@@H+](C)CCC[NH2+]1 49663004 572794466 /nfs/dbraw/zinc/79/44/66/572794466.db2.gz BOGQZAYKEOYBTD-QMMMGPOBSA-N 2 1 142.246 0.690 10 0 ACAEMP C[C@H]1C[NH2+]CCC[N@@H+](C)C1 49663020 572794835 /nfs/dbraw/zinc/79/48/35/572794835.db2.gz CVEINCJZJVXHKJ-QMMMGPOBSA-N 2 1 142.246 0.548 10 0 ACAEMP OCCCC[NH2+][C@@H]1CCC[NH2+]C1 236503664 572795169 /nfs/dbraw/zinc/79/51/69/572795169.db2.gz LYPWFWGHXWMANS-SECBINFHSA-N 2 1 172.272 0.101 10 0 ACAEMP C[N@H+]1CCC[C@H](N2CCC[NH2+]CC2)C1 49660636 572795117 /nfs/dbraw/zinc/79/51/17/572795117.db2.gz JSYNNNNZPWBXDN-NSHDSACASA-N 2 1 197.326 0.376 10 0 ACAEMP C[C@H]1CC[N@H+](C[C@@H]2CCCO2)CC[NH2+]1 49660745 572795175 /nfs/dbraw/zinc/79/51/75/572795175.db2.gz NLJJPGKXVLPQNV-QWRGUYRKSA-N 2 1 198.310 0.849 10 0 ACAEMP C[C@H]1CC[N@@H+](C[C@@H]2CCCO2)CC[NH2+]1 49660745 572795177 /nfs/dbraw/zinc/79/51/77/572795177.db2.gz NLJJPGKXVLPQNV-QWRGUYRKSA-N 2 1 198.310 0.849 10 0 ACAEMP CO[C@H](C)C[N@H+](C)CC(C)(C)[NH3+] 307937465 572795454 /nfs/dbraw/zinc/79/54/54/572795454.db2.gz AKFSEJSNGFRFDP-MRVPVSSYSA-N 2 1 174.288 0.690 10 0 ACAEMP CO[C@H](C)C[N@@H+](C)CC(C)(C)[NH3+] 307937465 572795457 /nfs/dbraw/zinc/79/54/57/572795457.db2.gz AKFSEJSNGFRFDP-MRVPVSSYSA-N 2 1 174.288 0.690 10 0 ACAEMP CO[C@H]1CCCC[C@]1(CN)[NH+](C)C 234847487 572795630 /nfs/dbraw/zinc/79/56/30/572795630.db2.gz XFYUDARHARZBCK-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP CO[C@H]1CCCC[C@]1(C[NH3+])[NH+](C)C 234847487 572795631 /nfs/dbraw/zinc/79/56/31/572795631.db2.gz XFYUDARHARZBCK-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@H]1CC[N@H+](C)CC[NH2+]1 49660795 572796250 /nfs/dbraw/zinc/79/62/50/572796250.db2.gz WRAZHCOALWPHQB-QMMMGPOBSA-N 2 1 142.246 0.690 10 0 ACAEMP CC[C@H]1CC[N@@H+](C)CC[NH2+]1 49660795 572796254 /nfs/dbraw/zinc/79/62/54/572796254.db2.gz WRAZHCOALWPHQB-QMMMGPOBSA-N 2 1 142.246 0.690 10 0 ACAEMP OCC[N@H+](CC1CC1)C[C@@H]1CCC[NH2+]1 236501751 572796262 /nfs/dbraw/zinc/79/62/62/572796262.db2.gz PHJULLOHRSCCJO-NSHDSACASA-N 2 1 198.310 0.443 10 0 ACAEMP OCC[N@@H+](CC1CC1)C[C@@H]1CCC[NH2+]1 236501751 572796269 /nfs/dbraw/zinc/79/62/69/572796269.db2.gz PHJULLOHRSCCJO-NSHDSACASA-N 2 1 198.310 0.443 10 0 ACAEMP [NH3+]CC[C@@H]1C[N@@H+](CCC2CC2)CCO1 238554662 572796344 /nfs/dbraw/zinc/79/63/44/572796344.db2.gz STWVVJZAOYVAGO-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP OCCCC[NH2+][C@H]1CCC[NH2+]C1 236504483 572796476 /nfs/dbraw/zinc/79/64/76/572796476.db2.gz LYPWFWGHXWMANS-VIFPVBQESA-N 2 1 172.272 0.101 10 0 ACAEMP CN1CC[N@@H+](C)[C@H]2CC[C@@H]([NH3+])C[C@H]21 250410548 572796510 /nfs/dbraw/zinc/79/65/10/572796510.db2.gz WCECYGTZUNDZNO-KXUCPTDWSA-N 2 1 183.299 0.112 10 0 ACAEMP C[C@@H]1C[NH2+]CCC[N@@H+](C)C1 49663019 572796608 /nfs/dbraw/zinc/79/66/08/572796608.db2.gz CVEINCJZJVXHKJ-MRVPVSSYSA-N 2 1 142.246 0.548 10 0 ACAEMP OCC[N@H+](CC1CC1)C[C@H]1CCC[NH2+]1 236501766 572796628 /nfs/dbraw/zinc/79/66/28/572796628.db2.gz PHJULLOHRSCCJO-LLVKDONJSA-N 2 1 198.310 0.443 10 0 ACAEMP OCC[N@@H+](CC1CC1)C[C@H]1CCC[NH2+]1 236501766 572796636 /nfs/dbraw/zinc/79/66/36/572796636.db2.gz PHJULLOHRSCCJO-LLVKDONJSA-N 2 1 198.310 0.443 10 0 ACAEMP C[N@H+]1CCC[C@@H](N2CCC[NH2+]CC2)C1 49660638 572796767 /nfs/dbraw/zinc/79/67/67/572796767.db2.gz JSYNNNNZPWBXDN-LLVKDONJSA-N 2 1 197.326 0.376 10 0 ACAEMP C[N@H+]1CC[C@@H](CN2CCC[NH2+]CC2)C1 49660621 572797057 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/nfs/dbraw/zinc/81/37/10/572813710.db2.gz MVNUFVKPUROEDN-MNOVXSKESA-N 2 1 198.310 0.849 10 0 ACAEMP C[NH+](C)C[C@H](O)Cc1ccc[nH+]c1N 85794342 572813920 /nfs/dbraw/zinc/81/39/20/572813920.db2.gz AFEFCEKWCAQRBX-SECBINFHSA-N 2 1 195.266 0.129 10 0 ACAEMP C[N@H+]1CCC(=O)[C@@]2(CCC[NH2+]C2)CC1 75123239 572814526 /nfs/dbraw/zinc/81/45/26/572814526.db2.gz DHLRSSCAAFAXJI-NSHDSACASA-N 2 1 196.294 0.651 10 0 ACAEMP Cc1[nH+]cn(C[C@H](O)CC[NH3+])c1C 308134706 572814556 /nfs/dbraw/zinc/81/45/56/572814556.db2.gz NDUBOKCXEDEBOP-SECBINFHSA-N 2 1 183.255 0.210 10 0 ACAEMP Cc1[nH+]cn(C[C@@H](O)CC[NH3+])c1C 308134707 572814899 /nfs/dbraw/zinc/81/48/99/572814899.db2.gz NDUBOKCXEDEBOP-VIFPVBQESA-N 2 1 183.255 0.210 10 0 ACAEMP CC[NH2+]C[C@@H](O)CC[N@@H+](C)C(C)C 308134349 572815026 /nfs/dbraw/zinc/81/50/26/572815026.db2.gz MUBGMCPXRYGZMJ-JTQLQIEISA-N 2 1 188.315 0.687 10 0 ACAEMP C[C@@H]1CC[C@@H](C[NH3+])CN1c1[nH]cc[nH+]1 235261898 572815083 /nfs/dbraw/zinc/81/50/83/572815083.db2.gz UHWXMGUOPLGNEY-BDAKNGLRSA-N 2 1 194.282 0.973 10 0 ACAEMP C[N@H+]1CCC(=O)[C@]2(CCC[NH2+]C2)CC1 75123240 572815464 /nfs/dbraw/zinc/81/54/64/572815464.db2.gz DHLRSSCAAFAXJI-LLVKDONJSA-N 2 1 196.294 0.651 10 0 ACAEMP C[NH+](C)C[C@@H]([NH3+])CC1CCOCC1 85798002 572817171 /nfs/dbraw/zinc/81/71/71/572817171.db2.gz UHZHIHPNZRAMRL-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP Cc1[nH+]ccn1[C@H](C)C(N)=[NH2+] 49832563 572815936 /nfs/dbraw/zinc/81/59/36/572815936.db2.gz OKIXUCGCTJBOMS-RXMQYKEDSA-N 2 1 152.201 0.688 10 0 ACAEMP C[NH2+]C[C@@H](O)CC[N@@H+](C)C1CCC1 308134727 572816052 /nfs/dbraw/zinc/81/60/52/572816052.db2.gz NGXJQURFIMNGOR-JTQLQIEISA-N 2 1 186.299 0.441 10 0 ACAEMP C[NH2+]C[C@H](O)CC[N@@H+](C)C1CCC1 308134728 572816215 /nfs/dbraw/zinc/81/62/15/572816215.db2.gz NGXJQURFIMNGOR-SNVBAGLBSA-N 2 1 186.299 0.441 10 0 ACAEMP CC[NH2+]C[C@H](O)CC[N@@H+](C)C(C)C 308134350 572817011 /nfs/dbraw/zinc/81/70/11/572817011.db2.gz MUBGMCPXRYGZMJ-SNVBAGLBSA-N 2 1 188.315 0.687 10 0 ACAEMP C[NH+](C)C[C@H]([NH3+])CC[C@H]1CCCO1 85798183 572817214 /nfs/dbraw/zinc/81/72/14/572817214.db2.gz BXYDPHKWPXXVAL-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP CCc1[nH+]ccn1[C@@H](C)C(N)=[NH2+] 49832584 572817496 /nfs/dbraw/zinc/81/74/96/572817496.db2.gz QPHKRKSZYJYBJS-LURJTMIESA-N 2 1 166.228 0.942 10 0 ACAEMP C[NH+](C)C[C@@H](O)Cc1cc[nH+]c(N)c1 85794467 572817884 /nfs/dbraw/zinc/81/78/84/572817884.db2.gz ABTRPQILJIEQEL-VIFPVBQESA-N 2 1 195.266 0.129 10 0 ACAEMP C[NH+](C)C[C@@H]([NH3+])CC[C@@H]1CCCO1 85798182 572817965 /nfs/dbraw/zinc/81/79/65/572817965.db2.gz BXYDPHKWPXXVAL-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP CCc1[nH+]ccn1[C@H](C)C(N)=[NH2+] 49832585 572819019 /nfs/dbraw/zinc/81/90/19/572819019.db2.gz QPHKRKSZYJYBJS-ZCFIWIBFSA-N 2 1 166.228 0.942 10 0 ACAEMP CC[C@H](C)[N@H+](CCO)[C@@H](CC)C[NH3+] 308135543 572818572 /nfs/dbraw/zinc/81/85/72/572818572.db2.gz HZTAYYLCOMHCKM-UWVGGRQHSA-N 2 1 188.315 0.817 10 0 ACAEMP CC[C@H](C)[N@@H+](CCO)[C@@H](CC)C[NH3+] 308135543 572818575 /nfs/dbraw/zinc/81/85/75/572818575.db2.gz HZTAYYLCOMHCKM-UWVGGRQHSA-N 2 1 188.315 0.817 10 0 ACAEMP O[C@H]1C[NH2+][C@H](C[NH2+]CCCCF)C1 308135146 572818607 /nfs/dbraw/zinc/81/86/07/572818607.db2.gz NMGHDMCVWVIXMO-DTWKUNHWSA-N 2 1 190.262 0.049 10 0 ACAEMP O[C@@H]1C[NH2+][C@@H](C[NH2+]CCCCF)C1 308135145 572818705 /nfs/dbraw/zinc/81/87/05/572818705.db2.gz NMGHDMCVWVIXMO-BDAKNGLRSA-N 2 1 190.262 0.049 10 0 ACAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CCn1cccc1 238559320 572818808 /nfs/dbraw/zinc/81/88/08/572818808.db2.gz XIJJXEBLLJVOOQ-NSHDSACASA-N 2 1 193.294 0.911 10 0 ACAEMP [NH3+]C[C@@H]1CCC[N@H+]1CCn1cccc1 238559320 572818812 /nfs/dbraw/zinc/81/88/12/572818812.db2.gz XIJJXEBLLJVOOQ-NSHDSACASA-N 2 1 193.294 0.911 10 0 ACAEMP O[C@H]1C[NH2+][C@@H](C[NH2+]CCCCF)C1 308135149 572818946 /nfs/dbraw/zinc/81/89/46/572818946.db2.gz NMGHDMCVWVIXMO-RKDXNWHRSA-N 2 1 190.262 0.049 10 0 ACAEMP C[NH+](C)C[C@H]([NH3+])CC1CCOCC1 85797999 572819028 /nfs/dbraw/zinc/81/90/28/572819028.db2.gz UHZHIHPNZRAMRL-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP Cc1[nH+]ccn1[C@@H](C)C(N)=[NH2+] 49832562 572818991 /nfs/dbraw/zinc/81/89/91/572818991.db2.gz OKIXUCGCTJBOMS-YFKPBYRVSA-N 2 1 152.201 0.688 10 0 ACAEMP C[NH+](C)C[C@H](O)Cc1cc[nH+]c(N)c1 85794464 572819171 /nfs/dbraw/zinc/81/91/71/572819171.db2.gz ABTRPQILJIEQEL-SECBINFHSA-N 2 1 195.266 0.129 10 0 ACAEMP C[NH+](C)C[C@@H]([NH3+])CC[C@H]1CCCO1 85798187 572819361 /nfs/dbraw/zinc/81/93/61/572819361.db2.gz BXYDPHKWPXXVAL-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP C[NH+](C)C[C@H]([NH3+])CC[C@@H]1CCCO1 85798176 572819427 /nfs/dbraw/zinc/81/94/27/572819427.db2.gz BXYDPHKWPXXVAL-ZJUUUORDSA-N 2 1 186.299 0.835 10 0 ACAEMP [NH3+]CCCCCC[N@H+]1CC[C@H](O)C1 238558259 572819594 /nfs/dbraw/zinc/81/95/94/572819594.db2.gz ZIXDZUMLXASICP-JTQLQIEISA-N 2 1 186.299 0.572 10 0 ACAEMP C[N@@H+](CCC[NH3+])C[C@H](O)C(C)(C)C 308135556 572819669 /nfs/dbraw/zinc/81/96/69/572819669.db2.gz IADYVWIRFWSMNR-VIFPVBQESA-N 2 1 188.315 0.674 10 0 ACAEMP CC[C@@H](C)[N@H+](CCO)[C@H](CC)C[NH3+] 308135542 572819889 /nfs/dbraw/zinc/81/98/89/572819889.db2.gz HZTAYYLCOMHCKM-NXEZZACHSA-N 2 1 188.315 0.817 10 0 ACAEMP CC[C@@H](C)[N@@H+](CCO)[C@H](CC)C[NH3+] 308135542 572819893 /nfs/dbraw/zinc/81/98/93/572819893.db2.gz HZTAYYLCOMHCKM-NXEZZACHSA-N 2 1 188.315 0.817 10 0 ACAEMP CC[C@@H](C[NH3+])[N@@H+](CCO)[C@H](C)CC 308135545 572819932 /nfs/dbraw/zinc/81/99/32/572819932.db2.gz HZTAYYLCOMHCKM-ZJUUUORDSA-N 2 1 188.315 0.817 10 0 ACAEMP CC[C@@H](C[NH3+])[N@H+](CCO)[C@H](C)CC 308135545 572819934 /nfs/dbraw/zinc/81/99/34/572819934.db2.gz HZTAYYLCOMHCKM-ZJUUUORDSA-N 2 1 188.315 0.817 10 0 ACAEMP C[N@@H+](CCC[NH3+])C[C@@H](O)C(C)(C)C 308135555 572820026 /nfs/dbraw/zinc/82/00/26/572820026.db2.gz IADYVWIRFWSMNR-SECBINFHSA-N 2 1 188.315 0.674 10 0 ACAEMP Cc1cc(C[C@H]2CN(C)C[C@@H]2[NH3+])[nH]n1 75121810 572821119 /nfs/dbraw/zinc/82/11/19/572821119.db2.gz FYAFBIBBDAOBRX-WPRPVWTQSA-N 2 1 194.282 0.150 10 0 ACAEMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1CCC1 308139696 572821223 /nfs/dbraw/zinc/82/12/23/572821223.db2.gz RIEITWZCKVIGBM-SNVBAGLBSA-N 2 1 186.299 0.441 10 0 ACAEMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1CCC1 308139695 572821562 /nfs/dbraw/zinc/82/15/62/572821562.db2.gz RIEITWZCKVIGBM-JTQLQIEISA-N 2 1 186.299 0.441 10 0 ACAEMP CCc1[nH+]ccn1C[C@H](O)CC[NH3+] 308140710 572821672 /nfs/dbraw/zinc/82/16/72/572821672.db2.gz SNIBNJXCPHTIRD-MRVPVSSYSA-N 2 1 183.255 0.155 10 0 ACAEMP CO[C@@H]1CCC[C@H]1[N@H+](C)C[C@@H](C)[NH3+] 308139758 572821770 /nfs/dbraw/zinc/82/17/70/572821770.db2.gz RMCLEOLGGGSKIJ-OPRDCNLKSA-N 2 1 186.299 0.833 10 0 ACAEMP CO[C@@H]1CCC[C@H]1[N@@H+](C)C[C@@H](C)[NH3+] 308139758 572821774 /nfs/dbraw/zinc/82/17/74/572821774.db2.gz RMCLEOLGGGSKIJ-OPRDCNLKSA-N 2 1 186.299 0.833 10 0 ACAEMP C[N@H+]1CC[C@@H](O)[C@@]2(CCC[NH2+]C2)CC1 75124715 572822182 /nfs/dbraw/zinc/82/21/82/572822182.db2.gz OKAJWIDZSGZLPW-MNOVXSKESA-N 2 1 198.310 0.443 10 0 ACAEMP [NH3+]CC[C@H]1C[N@@H+](CCC2CC2)CCO1 238563434 572822510 /nfs/dbraw/zinc/82/25/10/572822510.db2.gz STWVVJZAOYVAGO-NSHDSACASA-N 2 1 198.310 0.836 10 0 ACAEMP CO[C@H]1C[N@@H+](CCC(N)=[NH2+])CC[C@H]1C 299914647 572822574 /nfs/dbraw/zinc/82/25/74/572822574.db2.gz QMLZZLYKPAULPS-BDAKNGLRSA-N 2 1 199.298 0.669 10 0 ACAEMP CO[C@@H]1CCC[C@@H]1[N@H+](C)C[C@@H](C)[NH3+] 308139756 572822597 /nfs/dbraw/zinc/82/25/97/572822597.db2.gz RMCLEOLGGGSKIJ-KXUCPTDWSA-N 2 1 186.299 0.833 10 0 ACAEMP CO[C@@H]1CCC[C@@H]1[N@@H+](C)C[C@@H](C)[NH3+] 308139756 572822601 /nfs/dbraw/zinc/82/26/01/572822601.db2.gz RMCLEOLGGGSKIJ-KXUCPTDWSA-N 2 1 186.299 0.833 10 0 ACAEMP CO[C@@H]1CCC[C@@H]1[N@H+](C)C[C@H](C)[NH3+] 308139757 572822697 /nfs/dbraw/zinc/82/26/97/572822697.db2.gz RMCLEOLGGGSKIJ-LPEHRKFASA-N 2 1 186.299 0.833 10 0 ACAEMP CO[C@@H]1CCC[C@@H]1[N@@H+](C)C[C@H](C)[NH3+] 308139757 572822701 /nfs/dbraw/zinc/82/27/01/572822701.db2.gz RMCLEOLGGGSKIJ-LPEHRKFASA-N 2 1 186.299 0.833 10 0 ACAEMP Cc1c[nH+]c([C@H](N)CCCO)cc1N 713760873 572822813 /nfs/dbraw/zinc/82/28/13/572822813.db2.gz RTLIQYRREZRUST-MRVPVSSYSA-N 2 1 195.266 0.745 10 0 ACAEMP Cc1cc(C[C@@H]2CN(C)C[C@@H]2[NH3+])[nH]n1 75121807 572823863 /nfs/dbraw/zinc/82/38/63/572823863.db2.gz FYAFBIBBDAOBRX-SCZZXKLOSA-N 2 1 194.282 0.150 10 0 ACAEMP CCc1[nH+]ccn1C[C@@H](O)CC[NH3+] 308140711 572823896 /nfs/dbraw/zinc/82/38/96/572823896.db2.gz SNIBNJXCPHTIRD-QMMMGPOBSA-N 2 1 183.255 0.155 10 0 ACAEMP C[N@H+]1CC[C@H](O)[C@@]2(CCC[NH2+]C2)CC1 75124709 572824264 /nfs/dbraw/zinc/82/42/64/572824264.db2.gz OKAJWIDZSGZLPW-QWRGUYRKSA-N 2 1 198.310 0.443 10 0 ACAEMP Cc1c[nH+]c([C@@H](N)CCCO)cc1N 713760876 572824522 /nfs/dbraw/zinc/82/45/22/572824522.db2.gz RTLIQYRREZRUST-QMMMGPOBSA-N 2 1 195.266 0.745 10 0 ACAEMP O[C@H](C[NH2+]C[C@@H]1CCC[NH2+]1)C1CC1 236539163 572825266 /nfs/dbraw/zinc/82/52/66/572825266.db2.gz QFTNSFBVZXIMMC-VHSXEESVSA-N 2 1 184.283 0.099 10 0 ACAEMP [NH3+]CCCCCCC[NH2+]CC[NH3+] 238558135 572825382 /nfs/dbraw/zinc/82/53/82/572825382.db2.gz IWQCWFPYUNOCFG-UHFFFAOYSA-N 3 1 173.304 0.444 10 0 ACAEMP O[C@H](C[NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 236538873 572825509 /nfs/dbraw/zinc/82/55/09/572825509.db2.gz IRFZMXFVTNWOKL-WDEREUQCSA-N 2 1 198.310 0.489 10 0 ACAEMP Cn1nccc1C[N@H+](C)C/C=C/C[NH3+] 689574712 572825733 /nfs/dbraw/zinc/82/57/33/572825733.db2.gz GTIRIEKNRZQPMF-ONEGZZNKSA-N 2 1 194.282 0.367 10 0 ACAEMP Cn1nccc1C[N@@H+](C)C/C=C/C[NH3+] 689574712 572825738 /nfs/dbraw/zinc/82/57/38/572825738.db2.gz GTIRIEKNRZQPMF-ONEGZZNKSA-N 2 1 194.282 0.367 10 0 ACAEMP O[C@H](C[NH2+]C[C@H]1CCC[NH2+]1)C1CC1 236543669 572827163 /nfs/dbraw/zinc/82/71/63/572827163.db2.gz QFTNSFBVZXIMMC-NXEZZACHSA-N 2 1 184.283 0.099 10 0 ACAEMP O[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]1)C1CC1 236534671 572827321 /nfs/dbraw/zinc/82/73/21/572827321.db2.gz QFTNSFBVZXIMMC-UWVGGRQHSA-N 2 1 184.283 0.099 10 0 ACAEMP O[C@@H](C[NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 236534132 572827416 /nfs/dbraw/zinc/82/74/16/572827416.db2.gz IRFZMXFVTNWOKL-QWRGUYRKSA-N 2 1 198.310 0.489 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@@H+](CCn2cccc2)C1 238569959 572827678 /nfs/dbraw/zinc/82/76/78/572827678.db2.gz LOCXYMYZRCVUAA-NSHDSACASA-N 2 1 193.294 0.769 10 0 ACAEMP CC[C@H]1CC[N@@H+](C[C@H](O)CC[NH3+])C1 308141586 572828061 /nfs/dbraw/zinc/82/80/61/572828061.db2.gz ULGYLXLFSJNKEL-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP O[C@@H](C[NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 236539008 572828075 /nfs/dbraw/zinc/82/80/75/572828075.db2.gz IRFZMXFVTNWOKL-MNOVXSKESA-N 2 1 198.310 0.489 10 0 ACAEMP Cn1nccc1C[N@H+](C)C/C=C\C[NH3+] 689574711 572828161 /nfs/dbraw/zinc/82/81/61/572828161.db2.gz GTIRIEKNRZQPMF-ARJAWSKDSA-N 2 1 194.282 0.367 10 0 ACAEMP Cn1nccc1C[N@@H+](C)C/C=C\C[NH3+] 689574711 572828165 /nfs/dbraw/zinc/82/81/65/572828165.db2.gz GTIRIEKNRZQPMF-ARJAWSKDSA-N 2 1 194.282 0.367 10 0 ACAEMP [NH3+]C[C@H]1CC[N@@H+](CCn2cccc2)C1 238569557 572828281 /nfs/dbraw/zinc/82/82/81/572828281.db2.gz LOCXYMYZRCVUAA-LLVKDONJSA-N 2 1 193.294 0.769 10 0 ACAEMP O[C@H](C[NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 236543225 572828310 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/nfs/dbraw/zinc/87/46/51/572874651.db2.gz KOKTXYLOBDACBW-ZETCQYMHSA-N 2 1 162.302 0.676 10 0 ACAEMP CCC[C@@H](C[NH3+])[NH2+]C1CC1 50271243 572874774 /nfs/dbraw/zinc/87/47/74/572874774.db2.gz COAAPQMNWZWVSN-QMMMGPOBSA-N 2 1 142.246 0.866 10 0 ACAEMP C[NH2+][C@@H](C[NH3+])CCSC 50270001 572874921 /nfs/dbraw/zinc/87/49/21/572874921.db2.gz ICTFAGJOWLEBNY-ZCFIWIBFSA-N 2 1 148.275 0.286 10 0 ACAEMP CC[C@H](C[NH3+])[NH2+]C1CC1 50271224 572875001 /nfs/dbraw/zinc/87/50/01/572875001.db2.gz FDMOEIUZCCSBJT-ZCFIWIBFSA-N 2 1 128.219 0.476 10 0 ACAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1cc[nH]c1 257608898 572875034 /nfs/dbraw/zinc/87/50/34/572875034.db2.gz ACPANPRRLBBUDX-WDEREUQCSA-N 2 1 193.294 0.836 10 0 ACAEMP CC[N@@H+](C)C[C@@]1(COC)CC[NH2+]C1 308155676 572875084 /nfs/dbraw/zinc/87/50/84/572875084.db2.gz TWUXIXRMOBZOPB-SNVBAGLBSA-N 2 1 186.299 0.564 10 0 ACAEMP CCC[NH2+][C@@H](C[NH3+])C1CC1 50270660 572875091 /nfs/dbraw/zinc/87/50/91/572875091.db2.gz ZYVFKKIAWQPAPB-QMMMGPOBSA-N 2 1 142.246 0.723 10 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572875285 /nfs/dbraw/zinc/87/52/85/572875285.db2.gz IIOYDYVKGIZMRQ-HTQZYQBOSA-N 2 1 144.262 0.969 10 0 ACAEMP CC(C)[NH2+][C@@H](C[NH3+])C1CC1 50270996 572875460 /nfs/dbraw/zinc/87/54/60/572875460.db2.gz FIGKZDLOYDPBFG-QMMMGPOBSA-N 2 1 142.246 0.722 10 0 ACAEMP C[N@@H+](C[C@H](O)CC[NH3+])C1CCCC1 77273254 572875686 /nfs/dbraw/zinc/87/56/86/572875686.db2.gz OQYGRJHGKVCSCQ-SNVBAGLBSA-N 2 1 186.299 0.571 10 0 ACAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1ccc[nH]1 257609015 572875905 /nfs/dbraw/zinc/87/59/05/572875905.db2.gz ITYWRXUFYXVKLU-GXSJLCMTSA-N 2 1 193.294 0.836 10 0 ACAEMP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1cnco1 257608914 572875983 /nfs/dbraw/zinc/87/59/83/572875983.db2.gz AQDMNSXKJUVBLA-APPZFPTMSA-N 2 1 181.239 0.626 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1Cc1cc[nH]c1 257608897 572876097 /nfs/dbraw/zinc/87/60/97/572876097.db2.gz ACPANPRRLBBUDX-GHMZBOCLSA-N 2 1 193.294 0.836 10 0 ACAEMP CCNC(=[NH2+])N(C)C[C@H]1CCC[N@H+]1C 86189309 572877212 /nfs/dbraw/zinc/87/72/12/572877212.db2.gz YUNJZBAKXVGCJN-SECBINFHSA-N 2 1 198.314 0.557 10 0 ACAEMP C[C@H](C(N)=[NH2+])N(C)C[C@@H]1CCC[N@H+]1C 86188911 572877243 /nfs/dbraw/zinc/87/72/43/572877243.db2.gz WXIZTRVPPVKHCJ-BDAKNGLRSA-N 2 1 198.314 0.337 10 0 ACAEMP CN(C[C@H]1CCC[N@H+]1C)C(C)(C)C[NH3+] 86187945 572877303 /nfs/dbraw/zinc/87/73/03/572877303.db2.gz CLCLZKCHNPEIQN-SNVBAGLBSA-N 2 1 199.342 0.750 10 0 ACAEMP CN(C[C@@H]1CCC[N@H+]1C)C(C)(C)C[NH3+] 86187942 572877314 /nfs/dbraw/zinc/87/73/14/572877314.db2.gz CLCLZKCHNPEIQN-JTQLQIEISA-N 2 1 199.342 0.750 10 0 ACAEMP FC(F)CC[NH2+]C[C@H]1CCC[NH2+]1 308158563 572877315 /nfs/dbraw/zinc/87/73/15/572877315.db2.gz QEUKKVOBJWXDTD-SSDOTTSWSA-N 2 1 178.226 0.983 10 0 ACAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(N)=[NH2+] 86189337 572877602 /nfs/dbraw/zinc/87/76/02/572877602.db2.gz WJKWHEIOYQOCBL-MRVPVSSYSA-N 2 1 184.287 0.296 10 0 ACAEMP C[NH2+][C@H](C)CN(C)C[C@@H]1CCC[N@H+]1C 86188363 572878833 /nfs/dbraw/zinc/87/88/33/572878833.db2.gz FVHCPWABXIHUHL-MNOVXSKESA-N 2 1 199.342 0.620 10 0 ACAEMP C[C@H](CC[NH3+])N(C)C[C@@H]1CCC[N@H+]1C 86187866 572877619 /nfs/dbraw/zinc/87/76/19/572877619.db2.gz QKSZKUYWNZKNFX-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP C[NH2+]CCN(C)C[C@H]1CCC[N@H+]1C 86188381 572877738 /nfs/dbraw/zinc/87/77/38/572877738.db2.gz TXVCNJGQWFYEAX-SNVBAGLBSA-N 2 1 185.315 0.232 10 0 ACAEMP Cc1cn(C)c(N2C[C@@H](C)[C@@H]([NH3+])C2)[nH+]1 235386293 572877776 /nfs/dbraw/zinc/87/77/76/572877776.db2.gz XPIANADPBCZBOX-APPZFPTMSA-N 2 1 194.282 0.512 10 0 ACAEMP CC[N@H+]1CCC[C@H]1CN(C)CC[NH2+]C 86188510 572877811 /nfs/dbraw/zinc/87/78/11/572877811.db2.gz HMXOUYCTGYFTGE-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP COCC(C)(C)[N@H+](C)C[C@H](C)[NH3+] 307971058 572877864 /nfs/dbraw/zinc/87/78/64/572877864.db2.gz XTBXNZZZRYVHKG-QMMMGPOBSA-N 2 1 174.288 0.690 10 0 ACAEMP COCC(C)(C)[N@@H+](C)C[C@H](C)[NH3+] 307971058 572877868 /nfs/dbraw/zinc/87/78/68/572877868.db2.gz XTBXNZZZRYVHKG-QMMMGPOBSA-N 2 1 174.288 0.690 10 0 ACAEMP CN(C[C@H]1CCC[N@H+]1C)CC1([NH3+])CC1 86189375 572877945 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CC[C@@H](C[NH3+])N(C)C[C@@H]1CCC[N@H+]1C 86187872 572878500 /nfs/dbraw/zinc/87/85/00/572878500.db2.gz RGGVYAJWPPXNLS-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP Cc1cn(C)c(N2CC[NH2+][C@H](C)C2)[nH+]1 235386195 572878548 /nfs/dbraw/zinc/87/85/48/572878548.db2.gz IBGWJKMLCLLWTD-MRVPVSSYSA-N 2 1 194.282 0.527 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)N(C)C[C@@H]1CCC[N@H+]1C 86188307 572878660 /nfs/dbraw/zinc/87/86/60/572878660.db2.gz DBUXTOVANRBWNM-AXFHLTTASA-N 2 1 199.342 0.748 10 0 ACAEMP C[C@@H](C(N)=[NH2+])N(C)C[C@@H]1CCC[N@H+]1C 86188910 572878693 /nfs/dbraw/zinc/87/86/93/572878693.db2.gz WXIZTRVPPVKHCJ-IUCAKERBSA-N 2 1 198.314 0.337 10 0 ACAEMP C[C@H](C[NH3+])N(C)C[C@@H]1CCC[N@H+]1C 86187862 572878881 /nfs/dbraw/zinc/87/88/81/572878881.db2.gz NVIQPLKFANJPRO-ZJUUUORDSA-N 2 1 185.315 0.360 10 0 ACAEMP CC[N@H+]1CCC[C@@H]1CN(C)C1C[NH2+]C1 86188814 572879012 /nfs/dbraw/zinc/87/90/12/572879012.db2.gz GORIRMSQVRSVTQ-SNVBAGLBSA-N 2 1 197.326 0.374 10 0 ACAEMP CC[C@H]([NH3+])CN(C)C[C@@H]1CCC[N@H+]1C 86188197 572879063 /nfs/dbraw/zinc/87/90/63/572879063.db2.gz NZUAWHLTRXVAAB-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C[NH3+] 86187904 572879073 /nfs/dbraw/zinc/87/90/73/572879073.db2.gz FFGLVHZMWAERSA-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[N@H+]1CCC[C@@H]1CN(C)CC(N)=[NH2+] 86188924 572879177 /nfs/dbraw/zinc/87/91/77/572879177.db2.gz RTEBYVWOVNUTNI-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP CN1CCC[C@H]1C[N@@H+](C)CCCC[NH3+] 86187878 572879222 /nfs/dbraw/zinc/87/92/22/572879222.db2.gz WEECIKFHFKPGHH-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CN(CCCC[NH3+])C[C@@H]1CCC[N@@H+]1C 86187878 572879226 /nfs/dbraw/zinc/87/92/26/572879226.db2.gz WEECIKFHFKPGHH-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP CN(CCCC[NH3+])C[C@@H]1CCC[N@H+]1C 86187878 572879230 /nfs/dbraw/zinc/87/92/30/572879230.db2.gz WEECIKFHFKPGHH-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP COCC(C)(C)[N@H+](C)C[C@@H](C)[NH3+] 307971056 572879250 /nfs/dbraw/zinc/87/92/50/572879250.db2.gz 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MFEMSGBZIFFDEU-MNOVXSKESA-N 2 1 199.342 0.620 10 0 ACAEMP COC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 75600909 572882365 /nfs/dbraw/zinc/88/23/65/572882365.db2.gz JREZICNSYVHRHG-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP COC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 75600909 572882367 /nfs/dbraw/zinc/88/23/67/572882367.db2.gz JREZICNSYVHRHG-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP CCC[N@H+]1CCO[C@H](CC[NH3+])C1 71496686 572882409 /nfs/dbraw/zinc/88/24/09/572882409.db2.gz RTTQMRDTIIUSJC-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP C[NH2+]C[C@H](C)N(C)C[C@@H]1CCC[N@H+]1C 86190178 572882626 /nfs/dbraw/zinc/88/26/26/572882626.db2.gz MFEMSGBZIFFDEU-QWRGUYRKSA-N 2 1 199.342 0.620 10 0 ACAEMP C[N@H+]1CCC[C@@H]1C[C@]1(CO)CCC[NH2+]1 75600906 572882916 /nfs/dbraw/zinc/88/29/16/572882916.db2.gz KLGCGLYLJSKHLL-MNOVXSKESA-N 2 1 198.310 0.585 10 0 ACAEMP COC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 75600908 572883097 /nfs/dbraw/zinc/88/30/97/572883097.db2.gz JREZICNSYVHRHG-QWRGUYRKSA-N 2 1 198.310 0.849 10 0 ACAEMP 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CC[N@@H+](C[C@@H](C)C[NH3+])CC(C)(C)O 86273569 572904846 /nfs/dbraw/zinc/90/48/46/572904846.db2.gz LQXPILSDTBVPBY-VIFPVBQESA-N 2 1 188.315 0.674 10 0 ACAEMP COCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272815 572904925 /nfs/dbraw/zinc/90/49/25/572904925.db2.gz OXFFZSCWQOEXPK-NXEZZACHSA-N 2 1 186.299 0.563 10 0 ACAEMP CC(C)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 86276626 572904998 /nfs/dbraw/zinc/90/49/98/572904998.db2.gz DPGPCGFCUUOCGJ-SECBINFHSA-N 2 1 184.283 0.492 10 0 ACAEMP CC(C)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 86276626 572904999 /nfs/dbraw/zinc/90/49/99/572904999.db2.gz DPGPCGFCUUOCGJ-SECBINFHSA-N 2 1 184.283 0.492 10 0 ACAEMP CC[NH2+][C@](CC)(C[NH3+])[C@H]1CCOC1 308178427 572905005 /nfs/dbraw/zinc/90/50/05/572905005.db2.gz GEVUBMRYBSORTQ-VHSXEESVSA-N 2 1 186.299 0.740 10 0 ACAEMP CC[N@@H+](CCCC[NH3+])CC(C)(C)O 86273596 572905032 /nfs/dbraw/zinc/90/50/32/572905032.db2.gz BKQZOOGAYHYXSI-UHFFFAOYSA-N 2 1 188.315 0.818 10 0 ACAEMP CCC(CC)C[NH2+][C@H](C[NH3+])COC 308179364 572905177 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DPGPCGFCUUOCGJ-VIFPVBQESA-N 2 1 184.283 0.492 10 0 ACAEMP CO[C@H](C)C[N@@H+](C)CC1(C[NH3+])CC1 308178178 572905590 /nfs/dbraw/zinc/90/55/90/572905590.db2.gz BHRXXYGMXPXMNL-SECBINFHSA-N 2 1 186.299 0.692 10 0 ACAEMP CC[C@H](C[NH3+])[N@H+](C)CC(C)(C)O 86273549 572905609 /nfs/dbraw/zinc/90/56/09/572905609.db2.gz COSGHXADZJRDSF-MRVPVSSYSA-N 2 1 174.288 0.426 10 0 ACAEMP CC[C@H](C[NH3+])[N@@H+](C)CC(C)(C)O 86273549 572905612 /nfs/dbraw/zinc/90/56/12/572905612.db2.gz COSGHXADZJRDSF-MRVPVSSYSA-N 2 1 174.288 0.426 10 0 ACAEMP C[C@@H](O)CC[N@@H+](C)CCC(C)(C)[NH3+] 308178218 572905627 /nfs/dbraw/zinc/90/56/27/572905627.db2.gz BIWUYOTWDHIVFO-SECBINFHSA-N 2 1 188.315 0.817 10 0 ACAEMP C[NH2+]C[C@@H](C)C[N@@H+](C)CC(C)(C)O 86274723 572905753 /nfs/dbraw/zinc/90/57/53/572905753.db2.gz YJRVJJJZVJOGBS-SECBINFHSA-N 2 1 188.315 0.545 10 0 ACAEMP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH3+])[C@@H]1C 50564146 572906623 /nfs/dbraw/zinc/90/66/23/572906623.db2.gz BUCFTBLRSXTNLF-OPRDCNLKSA-N 2 1 186.299 0.426 10 0 ACAEMP CC[C@@H](C[NH3+])[N@H+](CC)CC(C)(C)O 86273582 572905808 /nfs/dbraw/zinc/90/58/08/572905808.db2.gz IHIHYYAIWJQCKO-VIFPVBQESA-N 2 1 188.315 0.817 10 0 ACAEMP CC[C@@H](C[NH3+])[N@@H+](CC)CC(C)(C)O 86273582 572905809 /nfs/dbraw/zinc/90/58/09/572905809.db2.gz IHIHYYAIWJQCKO-VIFPVBQESA-N 2 1 188.315 0.817 10 0 ACAEMP C[C@@H](CCC[NH3+])[N@H+]1CC[C@](C)(O)C1 308180787 572906235 /nfs/dbraw/zinc/90/62/35/572906235.db2.gz CKXMZBPWVYMUDT-UWVGGRQHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[NH2+]C(C)(C)C[NH2+]C(C)(C)COC 308183031 572906409 /nfs/dbraw/zinc/90/64/09/572906409.db2.gz DPHWJISFKAVTBL-UHFFFAOYSA-N 2 1 188.315 0.999 10 0 ACAEMP CC[N@@H+](CCCO)CCC(C)(C)[NH3+] 308183020 572906821 /nfs/dbraw/zinc/90/68/21/572906821.db2.gz DKPKBDKMWPBAOJ-UHFFFAOYSA-N 2 1 188.315 0.818 10 0 ACAEMP C[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCN(C)CC1 86311117 572910262 /nfs/dbraw/zinc/91/02/62/572910262.db2.gz XRUPNAGUOOCCSY-MNOVXSKESA-N 2 1 199.342 0.478 10 0 ACAEMP CC(C)(C)CC[NH2+]CC[NH3+] 50523675 572907144 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ACAEMP C[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51360250 572964571 /nfs/dbraw/zinc/96/45/71/572964571.db2.gz BZJBOTBJCNCVLI-GARJFASQSA-N 2 1 198.310 0.584 10 0 ACAEMP CCCC[N@@H+]1C[C@@H](C[NH3+])OC[C@@H]1C 88098384 572964819 /nfs/dbraw/zinc/96/48/19/572964819.db2.gz BBTAYFGEWUVBOD-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP CCCC[N@H+]1C[C@@H](C[NH3+])OC[C@@H]1C 88098384 572964821 /nfs/dbraw/zinc/96/48/21/572964821.db2.gz BBTAYFGEWUVBOD-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP CCCC[N@@H+]1C[C@H](C[NH3+])OC[C@@H]1C 88098383 572964892 /nfs/dbraw/zinc/96/48/92/572964892.db2.gz BBTAYFGEWUVBOD-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP CCCC[N@H+]1C[C@H](C[NH3+])OC[C@@H]1C 88098383 572964893 /nfs/dbraw/zinc/96/48/93/572964893.db2.gz BBTAYFGEWUVBOD-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51360251 572965003 /nfs/dbraw/zinc/96/50/03/572965003.db2.gz BZJBOTBJCNCVLI-OUAUKWLOSA-N 2 1 198.310 0.584 10 0 ACAEMP C[C@@H](O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51360251 572965006 /nfs/dbraw/zinc/96/50/06/572965006.db2.gz BZJBOTBJCNCVLI-OUAUKWLOSA-N 2 1 198.310 0.584 10 0 ACAEMP CN(C)CCC[N@@H+](C)[C@H]1CCC(=O)C1 86618537 572965905 /nfs/dbraw/zinc/96/59/05/572965905.db2.gz JTQSFBPAXZNBER-JTQLQIEISA-N 2 1 198.310 0.992 10 0 ACAEMP C[NH2+][C@H]1CC[C@@H]([N@@H+](C)CCOC)C1 86619062 572966393 /nfs/dbraw/zinc/96/63/93/572966393.db2.gz JJTLKHNKQOJGLR-VHSXEESVSA-N 2 1 186.299 0.705 10 0 ACAEMP C[NH2+][C@@H]1CC[C@@H]([N@@H+](C)CCOC)C1 86619061 572967287 /nfs/dbraw/zinc/96/72/87/572967287.db2.gz JJTLKHNKQOJGLR-NXEZZACHSA-N 2 1 186.299 0.705 10 0 ACAEMP CN(C)CCC[N@@H+](C)[C@@H]1CCC(=O)C1 86618536 572967447 /nfs/dbraw/zinc/96/74/47/572967447.db2.gz JTQSFBPAXZNBER-SNVBAGLBSA-N 2 1 198.310 0.992 10 0 ACAEMP C[NH2+][C@@H]1CC[C@H]([N@@H+](C)CCOC)C1 86619059 572967657 /nfs/dbraw/zinc/96/76/57/572967657.db2.gz JJTLKHNKQOJGLR-ZJUUUORDSA-N 2 1 186.299 0.705 10 0 ACAEMP C[N@@H+](CC(C)(C)C[NH3+])[C@H]1CCOC1 86637487 572968593 /nfs/dbraw/zinc/96/85/93/572968593.db2.gz QBTUSOZUWJXAIO-VIFPVBQESA-N 2 1 186.299 0.692 10 0 ACAEMP C[N@@H+](CC1CC1)[C@@H]1CC[C@]([NH3+])(CO)C1 86633204 572968646 /nfs/dbraw/zinc/96/86/46/572968646.db2.gz GGAVHCLRVKPLAV-GHMZBOCLSA-N 2 1 198.310 0.571 10 0 ACAEMP CC[N@@H+](C1CC1)[C@@H]1CC[C@]([NH3+])(CO)C1 86632964 572968779 /nfs/dbraw/zinc/96/87/79/572968779.db2.gz CUPQIANWNZCRMI-GHMZBOCLSA-N 2 1 198.310 0.713 10 0 ACAEMP C[NH2+][C@@]1(CO)CC[C@@H]([N@@H+](C)C2CC2)C1 86632836 572968796 /nfs/dbraw/zinc/96/87/96/572968796.db2.gz NKMQDCVVTSXSJS-MNOVXSKESA-N 2 1 198.310 0.584 10 0 ACAEMP CC[N@@H+](C)[C@H]1CC[C@@](CO)([NH2+]C)C1 86632784 572968881 /nfs/dbraw/zinc/96/88/81/572968881.db2.gz LTKGJBPTOJHMBY-VHSXEESVSA-N 2 1 186.299 0.441 10 0 ACAEMP C[NH2+][C@]1(CO)CC[C@@H]([N@@H+](C)C2CC2)C1 86632833 572968968 /nfs/dbraw/zinc/96/89/68/572968968.db2.gz NKMQDCVVTSXSJS-GHMZBOCLSA-N 2 1 198.310 0.584 10 0 ACAEMP C[N@@H+](CC1CC1)[C@H]1CC[C@]([NH3+])(CO)C1 86633208 572968992 /nfs/dbraw/zinc/96/89/92/572968992.db2.gz GGAVHCLRVKPLAV-WDEREUQCSA-N 2 1 198.310 0.571 10 0 ACAEMP C[N@@H+](CC(C)(C)C[NH3+])[C@@H]1CCOC1 86637485 572969006 /nfs/dbraw/zinc/96/90/06/572969006.db2.gz QBTUSOZUWJXAIO-SECBINFHSA-N 2 1 186.299 0.692 10 0 ACAEMP C[NH2+][C@@]1(CO)CC[C@H]([N@@H+](C)C2CC2)C1 86632830 572969012 /nfs/dbraw/zinc/96/90/12/572969012.db2.gz NKMQDCVVTSXSJS-QWRGUYRKSA-N 2 1 198.310 0.584 10 0 ACAEMP CCC[N@@H+](C)[C@H]1CC[C@]([NH3+])(CO)C1 86632768 572969050 /nfs/dbraw/zinc/96/90/50/572969050.db2.gz GBFUQQFYSSRYRU-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP CN(CC(C)(C)C[NH3+])[C@@H]1CC[N@@H+](C)C1 86637349 572969078 /nfs/dbraw/zinc/96/90/78/572969078.db2.gz YKGWTDFXQJNPBJ-SNVBAGLBSA-N 2 1 199.342 0.607 10 0 ACAEMP CC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C1 86730615 572974998 /nfs/dbraw/zinc/97/49/98/572974998.db2.gz QGKBMCGZYXOOFX-DTWKUNHWSA-N 2 1 172.272 0.099 10 0 ACAEMP CC[N@@H+](C1CC1)[C@H]1CC[C@]([NH3+])(CO)C1 86632967 572969154 /nfs/dbraw/zinc/96/91/54/572969154.db2.gz CUPQIANWNZCRMI-WDEREUQCSA-N 2 1 198.310 0.713 10 0 ACAEMP C[NH2+][C@]1(CO)CC[C@H]([N@@H+](C)C2CC2)C1 86632827 572969238 /nfs/dbraw/zinc/96/92/38/572969238.db2.gz NKMQDCVVTSXSJS-WDEREUQCSA-N 2 1 198.310 0.584 10 0 ACAEMP CCC[N@@H+](C)[C@@H]1CC[C@]([NH3+])(CO)C1 86632765 572969267 /nfs/dbraw/zinc/96/92/67/572969267.db2.gz GBFUQQFYSSRYRU-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[N@@H+](CCCO)CC(C)(C)C[NH3+] 86638190 572969304 /nfs/dbraw/zinc/96/93/04/572969304.db2.gz MJUJMGWTEGLJKK-UHFFFAOYSA-N 2 1 174.288 0.286 10 0 ACAEMP CN(CC(C)(C)C[NH3+])[C@H]1CC[N@@H+](C)C1 86637351 572969409 /nfs/dbraw/zinc/96/94/09/572969409.db2.gz YKGWTDFXQJNPBJ-JTQLQIEISA-N 2 1 199.342 0.607 10 0 ACAEMP CC(C)NC[C@@](C)(O)[NH2+]C(C)C 238180837 572969863 /nfs/dbraw/zinc/96/98/63/572969863.db2.gz QNTJDXOFNYMBLT-SECBINFHSA-N 2 1 174.288 0.691 10 0 ACAEMP C[NH+](C)C[C@]1(O)CC[N@H+](CC2CC2)C1 713660264 572970297 /nfs/dbraw/zinc/97/02/97/572970297.db2.gz LWCSWKLXQSNYID-LLVKDONJSA-N 2 1 198.310 0.395 10 0 ACAEMP C[NH+](C)C[C@]1(O)CC[N@@H+](CC2CC2)C1 713660264 572970300 /nfs/dbraw/zinc/97/03/00/572970300.db2.gz LWCSWKLXQSNYID-LLVKDONJSA-N 2 1 198.310 0.395 10 0 ACAEMP c1cc(C[NH2+]CC2CC[NH2+]CC2)[nH]n1 86700822 572970684 /nfs/dbraw/zinc/97/06/84/572970684.db2.gz VXTSWSAPTFZNPJ-UHFFFAOYSA-N 2 1 194.282 0.499 10 0 ACAEMP CCO[C@@H]1C[C@H]([NH3+])[C@@H]1[NH2+]C(C)C 86680127 572972594 /nfs/dbraw/zinc/97/25/94/572972594.db2.gz FCADOHBKUSJDEK-YIZRAAEISA-N 2 1 172.272 0.489 10 0 ACAEMP C[C@H]1CC[N@H+]1CCOC1CC[NH2+]CC1 86679012 572971946 /nfs/dbraw/zinc/97/19/46/572971946.db2.gz ZTNFALOGSSFPAB-JTQLQIEISA-N 2 1 198.310 0.849 10 0 ACAEMP C[C@@H]1CC[N@H+]1CCOC1CC[NH2+]CC1 86679010 572972108 /nfs/dbraw/zinc/97/21/08/572972108.db2.gz ZTNFALOGSSFPAB-SNVBAGLBSA-N 2 1 198.310 0.849 10 0 ACAEMP CCC(CC)(CO)C[NH2+]CC[NH3+] 88175963 572972329 /nfs/dbraw/zinc/97/23/29/572972329.db2.gz MQJBBPSHYHWIHY-UHFFFAOYSA-N 2 1 174.288 0.333 10 0 ACAEMP C[N@@H+](CCN[C@H]1CC[NH2+]C1)C1CC1 86729961 572974311 /nfs/dbraw/zinc/97/43/11/572974311.db2.gz VFUXLEVNYFOHBU-VIFPVBQESA-N 2 1 183.299 0.032 10 0 ACAEMP CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1[NH2+]C(C)C 86680131 572972710 /nfs/dbraw/zinc/97/27/10/572972710.db2.gz FCADOHBKUSJDEK-HLTSFMKQSA-N 2 1 172.272 0.489 10 0 ACAEMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C2)C1 86728183 572974642 /nfs/dbraw/zinc/97/46/42/572974642.db2.gz WXPSXZTZPGMEME-GHMZBOCLSA-N 2 1 197.326 0.280 10 0 ACAEMP COCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 86730439 572974346 /nfs/dbraw/zinc/97/43/46/572974346.db2.gz KZUFQVHLBQNAPD-DTWKUNHWSA-N 2 1 172.272 0.363 10 0 ACAEMP CC[C@H](C)[NH2+]C[C@@H]([NH3+])[C@@H](C)O 86679457 572973663 /nfs/dbraw/zinc/97/36/63/572973663.db2.gz CVVITAZHNYCWLO-XLPZGREQSA-N 2 1 160.261 0.083 10 0 ACAEMP CC[C@H](C)[NH2+]C[C@H]([NH3+])[C@@H](C)O 86679454 572973752 /nfs/dbraw/zinc/97/37/52/572973752.db2.gz CVVITAZHNYCWLO-RNJXMRFFSA-N 2 1 160.261 0.083 10 0 ACAEMP C[NH+](C)CCCC[NH2+][C@@H]1CC[NH2+]C1 86729628 572974356 /nfs/dbraw/zinc/97/43/56/572974356.db2.gz OSEZZNVEIZSTHV-SNVBAGLBSA-N 3 1 185.315 0.280 10 0 ACAEMP CSC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C1 86730215 572974157 /nfs/dbraw/zinc/97/41/57/572974157.db2.gz ZZLHLKFKNPEHKE-DTWKUNHWSA-N 2 1 188.340 0.937 10 0 ACAEMP CC[N@H+]1CC[C@@H](CN[C@@H]2CC[NH2+]C2)C1 86728186 572974187 /nfs/dbraw/zinc/97/41/87/572974187.db2.gz WXPSXZTZPGMEME-WDEREUQCSA-N 2 1 197.326 0.280 10 0 ACAEMP C1CO[C@@H](CC[NH2+][C@H]2CC[NH2+]C2)C1 86729071 572974251 /nfs/dbraw/zinc/97/42/51/572974251.db2.gz UVLVKMXRXSZNBJ-VHSXEESVSA-N 2 1 184.283 0.507 10 0 ACAEMP C1CO[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 86729066 572974781 /nfs/dbraw/zinc/97/47/81/572974781.db2.gz UVLVKMXRXSZNBJ-NXEZZACHSA-N 2 1 184.283 0.507 10 0 ACAEMP C=COCCC[NH2+][C@@H]1CC[NH2+]C1 86725705 572974437 /nfs/dbraw/zinc/97/44/37/572974437.db2.gz WPIPDGQXSYXWSR-SECBINFHSA-N 2 1 170.256 0.488 10 0 ACAEMP COC(=O)C[NH2+]C1CCC([NH3+])CC1 86724346 572974442 /nfs/dbraw/zinc/97/44/42/572974442.db2.gz UBTNLWFZSBMYHU-UHFFFAOYSA-N 2 1 186.255 0.019 10 0 ACAEMP CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1 86730608 572974793 /nfs/dbraw/zinc/97/47/93/572974793.db2.gz QGKBMCGZYXOOFX-BDAKNGLRSA-N 2 1 172.272 0.099 10 0 ACAEMP COCCCC[NH2+][C@H]1CC[NH2+]C1 86729507 572974582 /nfs/dbraw/zinc/97/45/82/572974582.db2.gz OATCYUFEZLEABK-VIFPVBQESA-N 2 1 172.272 0.365 10 0 ACAEMP CSC[C@@H](C)C[NH2+][C@H]1CC[NH2+]C1 86730219 572974743 /nfs/dbraw/zinc/97/47/43/572974743.db2.gz ZZLHLKFKNPEHKE-IUCAKERBSA-N 2 1 188.340 0.937 10 0 ACAEMP C[C@@H]1CC[N@@H+](C[C@H]2CO[C@@H](C[NH3+])C2)C1 713808421 572974750 /nfs/dbraw/zinc/97/47/50/572974750.db2.gz CAGGNLMMMRITRH-OUAUKWLOSA-N 2 1 198.310 0.692 10 0 ACAEMP OC[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1 86730832 572974970 /nfs/dbraw/zinc/97/49/70/572974970.db2.gz JGMHBQPSSSFDQK-GARJFASQSA-N 2 1 198.310 0.347 10 0 ACAEMP c1cn(CCC[NH2+][C@H]2CC[NH2+]C2)cn1 86725964 572975037 /nfs/dbraw/zinc/97/50/37/572975037.db2.gz APLSWFLNDDDVME-JTQLQIEISA-N 2 1 194.282 0.225 10 0 ACAEMP C[N@@H+](CCN[C@@H]1CC[NH2+]C1)C1CC1 86729959 572975113 /nfs/dbraw/zinc/97/51/13/572975113.db2.gz VFUXLEVNYFOHBU-SECBINFHSA-N 2 1 183.299 0.032 10 0 ACAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CO[C@@H](C[NH3+])C2)C1 713808418 572975140 /nfs/dbraw/zinc/97/51/40/572975140.db2.gz CAGGNLMMMRITRH-GMTAPVOTSA-N 2 1 198.310 0.692 10 0 ACAEMP CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C1 86730613 572975193 /nfs/dbraw/zinc/97/51/93/572975193.db2.gz QGKBMCGZYXOOFX-IUCAKERBSA-N 2 1 172.272 0.099 10 0 ACAEMP C[C@@H]1CC[N@@H+](C[C@H]2CO[C@H](C[NH3+])C2)C1 713808424 572975221 /nfs/dbraw/zinc/97/52/21/572975221.db2.gz CAGGNLMMMRITRH-VWYCJHECSA-N 2 1 198.310 0.692 10 0 ACAEMP CC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1 86730611 572975282 /nfs/dbraw/zinc/97/52/82/572975282.db2.gz QGKBMCGZYXOOFX-RKDXNWHRSA-N 2 1 172.272 0.099 10 0 ACAEMP c1cn(CCC[NH2+][C@@H]2CC[NH2+]C2)cn1 86725960 572975299 /nfs/dbraw/zinc/97/52/99/572975299.db2.gz APLSWFLNDDDVME-SNVBAGLBSA-N 2 1 194.282 0.225 10 0 ACAEMP CN(C)CCC[NH2+]C1CCC([NH3+])CC1 86724901 572975302 /nfs/dbraw/zinc/97/53/02/572975302.db2.gz VBJZTKLCVIAMIA-UHFFFAOYSA-N 2 1 199.342 0.798 10 0 ACAEMP COCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 86730442 572975312 /nfs/dbraw/zinc/97/53/12/572975312.db2.gz KZUFQVHLBQNAPD-IUCAKERBSA-N 2 1 172.272 0.363 10 0 ACAEMP C1CO[C@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 86729069 572975333 /nfs/dbraw/zinc/97/53/33/572975333.db2.gz UVLVKMXRXSZNBJ-ZJUUUORDSA-N 2 1 184.283 0.507 10 0 ACAEMP CCOCCC[NH2+][C@@H]1CC[NH2+]C1 86724944 572975340 /nfs/dbraw/zinc/97/53/40/572975340.db2.gz NYAYZKVMZOTQAJ-SECBINFHSA-N 2 1 172.272 0.365 10 0 ACAEMP C=COCCC[NH2+][C@H]1CC[NH2+]C1 86725707 572975352 /nfs/dbraw/zinc/97/53/52/572975352.db2.gz WPIPDGQXSYXWSR-VIFPVBQESA-N 2 1 170.256 0.488 10 0 ACAEMP Cn1cc[nH+]c1C[C@@](C)(O)CC[NH3+] 86755214 572975616 /nfs/dbraw/zinc/97/56/16/572975616.db2.gz CAUKEEKVFVLEER-VIFPVBQESA-N 2 1 183.255 0.062 10 0 ACAEMP CCn1c[nH+]cc1[C@@H](C[NH3+])C[C@H](C)O 88186654 572975505 /nfs/dbraw/zinc/97/55/05/572975505.db2.gz KIXIYTLKJJORHN-DTWKUNHWSA-N 2 1 197.282 0.716 10 0 ACAEMP 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142.246 0.677 10 0 ACAEMP C[C@H]([NH3+])[C@@H]([C@@H]1CC[N@@H+](C)C1)N(C)C 259315367 573032696 /nfs/dbraw/zinc/03/26/96/573032696.db2.gz DKXWGFWOJLBMSO-AEJSXWLSSA-N 2 1 185.315 0.216 10 0 ACAEMP C[NH2+]CCCC(=O)[C@H]1CCC[N@@H+](C)C1 259314367 573032922 /nfs/dbraw/zinc/03/29/22/573032922.db2.gz XHTOMMLYOLFNHM-JTQLQIEISA-N 2 1 198.310 0.897 10 0 ACAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@@H]1CCOC1 308235075 573033639 /nfs/dbraw/zinc/03/36/39/573033639.db2.gz VOJJREQSGNQMNU-UWVGGRQHSA-N 2 1 186.299 0.740 10 0 ACAEMP C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H]1CCC[NH2+]1 235445061 573034079 /nfs/dbraw/zinc/03/40/79/573034079.db2.gz GHNYLJWOUTVTBB-GARJFASQSA-N 2 1 198.310 0.896 10 0 ACAEMP C1COC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1 82431596 573035272 /nfs/dbraw/zinc/03/52/72/573035272.db2.gz MTMCZCVYBMLENG-JTQLQIEISA-N 2 1 184.283 0.461 10 0 ACAEMP C[NH+](C)C/C(Cl)=C\C[NH3+] 211886378 573035313 /nfs/dbraw/zinc/03/53/13/573035313.db2.gz PCMZGWWPNBWLEB-ZZXKWVIFSA-N 2 1 148.637 0.629 10 0 ACAEMP Cc1[nH+]c[nH]c1C[C@@H]1CC[NH2+]C1 258472659 573035456 /nfs/dbraw/zinc/03/54/56/573035456.db2.gz IKFDWEXTWUNQCR-QMMMGPOBSA-N 2 1 165.240 0.870 10 0 ACAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@H]1CCOC1 308235078 573035516 /nfs/dbraw/zinc/03/55/16/573035516.db2.gz VOJJREQSGNQMNU-ZJUUUORDSA-N 2 1 186.299 0.740 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H](N)C(C)(C)[NH3+])C1 259316959 573035517 /nfs/dbraw/zinc/03/55/17/573035517.db2.gz KQZUNMQDQUCGOL-YUMQZZPRSA-N 2 1 171.288 0.003 10 0 ACAEMP C1COC[C@H]([N@@H+]2CCC[NH2+]CC2)C1 82431597 573035626 /nfs/dbraw/zinc/03/56/26/573035626.db2.gz MTMCZCVYBMLENG-SNVBAGLBSA-N 2 1 184.283 0.461 10 0 ACAEMP C1COC[C@H]([N@H+]2CCC[NH2+]CC2)C1 82431597 573035634 /nfs/dbraw/zinc/03/56/34/573035634.db2.gz MTMCZCVYBMLENG-SNVBAGLBSA-N 2 1 184.283 0.461 10 0 ACAEMP C[N@@H+]1CC[C@@](C[NH3+])(C(F)(F)F)C1 257927175 573035879 /nfs/dbraw/zinc/03/58/79/573035879.db2.gz SINHKCRRZQEZFK-LURJTMIESA-N 2 1 182.189 0.829 10 0 ACAEMP C[N@H+]1CC[C@@](C[NH3+])(C(F)(F)F)C1 257927175 573035883 /nfs/dbraw/zinc/03/58/83/573035883.db2.gz SINHKCRRZQEZFK-LURJTMIESA-N 2 1 182.189 0.829 10 0 ACAEMP C[N@@H+]1CCC[C@@H](C2([NH3+])COC2)C1 259315771 573036385 /nfs/dbraw/zinc/03/63/85/573036385.db2.gz ROHAAGDRGWNQFH-MRVPVSSYSA-N 2 1 170.256 0.056 10 0 ACAEMP C[N@H+]1CCC[C@@H](C2([NH3+])COC2)C1 259315771 573036390 /nfs/dbraw/zinc/03/63/90/573036390.db2.gz ROHAAGDRGWNQFH-MRVPVSSYSA-N 2 1 170.256 0.056 10 0 ACAEMP CC1(O)CC[NH+]([C@@H]2CCC[C@@H]2[NH3+])CC1 88022908 573036856 /nfs/dbraw/zinc/03/68/56/573036856.db2.gz QLJYOGNJRUYDGO-VHSXEESVSA-N 2 1 198.310 0.713 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]CC1(C)CC1 235449661 573037039 /nfs/dbraw/zinc/03/70/39/573037039.db2.gz HVKCXWWKLFUHAG-SSDOTTSWSA-N 2 1 142.246 0.723 10 0 ACAEMP CCC[N@H+]1C[C@@H]2C[NH2+]C[C@H](C1)C2F 257927052 573037051 /nfs/dbraw/zinc/03/70/51/573037051.db2.gz SGAXUWPRZQYYTB-ULKQDVFKSA-N 2 1 186.274 0.886 10 0 ACAEMP Cc1[nH+]c[nH]c1C[C@H]1CC[NH2+]C1 258472653 573037072 /nfs/dbraw/zinc/03/70/72/573037072.db2.gz IKFDWEXTWUNQCR-MRVPVSSYSA-N 2 1 165.240 0.870 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@H](N)C(C)(C)[NH3+])C1 259316954 573037124 /nfs/dbraw/zinc/03/71/24/573037124.db2.gz KQZUNMQDQUCGOL-SFYZADRCSA-N 2 1 171.288 0.003 10 0 ACAEMP C[C@@H]1C[N@H+](C)CCN1C(=[NH2+])NC1CC1 235445505 573037127 /nfs/dbraw/zinc/03/71/27/573037127.db2.gz NLUDABCJINBHKT-MRVPVSSYSA-N 2 1 196.298 0.309 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCN1C(=[NH2+])NC1CC1 235445505 573037131 /nfs/dbraw/zinc/03/71/31/573037131.db2.gz NLUDABCJINBHKT-MRVPVSSYSA-N 2 1 196.298 0.309 10 0 ACAEMP C[N@@H+]1CC[C@](C[NH3+])(C(F)(F)F)C1 257927177 573037171 /nfs/dbraw/zinc/03/71/71/573037171.db2.gz SINHKCRRZQEZFK-ZCFIWIBFSA-N 2 1 182.189 0.829 10 0 ACAEMP C[N@H+]1CC[C@](C[NH3+])(C(F)(F)F)C1 257927177 573037174 /nfs/dbraw/zinc/03/71/74/573037174.db2.gz SINHKCRRZQEZFK-ZCFIWIBFSA-N 2 1 182.189 0.829 10 0 ACAEMP CCCCC[N@H+]1CCN[C@H](C[NH2+]C)C1 259316240 573037339 /nfs/dbraw/zinc/03/73/39/573037339.db2.gz QQJWSSWUSXZOOY-LLVKDONJSA-N 2 1 199.342 0.670 10 0 ACAEMP C[N@H+]1CCC=C(CCC[NH3+])C1 257926002 573037868 /nfs/dbraw/zinc/03/78/68/573037868.db2.gz CJEIPKZZUAFWRC-UHFFFAOYSA-N 2 1 154.257 0.987 10 0 ACAEMP NCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 88022392 573037910 /nfs/dbraw/zinc/03/79/10/573037910.db2.gz BUAMQWXEBFQDSE-QWRGUYRKSA-N 2 1 198.310 0.572 10 0 ACAEMP CC[N@@H+](C)CC[C@@H](C)C[NH3+] 87998783 573038378 /nfs/dbraw/zinc/03/83/78/573038378.db2.gz XIMKUWSDNMPOGO-MRVPVSSYSA-N 2 1 144.262 0.923 10 0 ACAEMP CC[NH2+]CC[C@@H]([NH3+])CF 104587205 573038718 /nfs/dbraw/zinc/03/87/18/573038718.db2.gz TVQJGTTWYYTXCP-ZCFIWIBFSA-N 2 1 134.198 0.283 10 0 ACAEMP CC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 82431898 573038803 /nfs/dbraw/zinc/03/88/03/573038803.db2.gz JETWVHDLUFMNCP-NXEZZACHSA-N 2 1 197.282 0.436 10 0 ACAEMP CC1(O)CC[NH+]([C@H]2CCC[C@@H]2[NH3+])CC1 88022909 573038857 /nfs/dbraw/zinc/03/88/57/573038857.db2.gz QLJYOGNJRUYDGO-UWVGGRQHSA-N 2 1 198.310 0.713 10 0 ACAEMP C[C@H]1C[N@@H+](CCCC[NH3+])[C@@H](C)CO1 223174289 573039181 /nfs/dbraw/zinc/03/91/81/573039181.db2.gz JNEOBNZTURYJEO-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H](N)C(C)(C)[NH3+])C1 259316946 573039001 /nfs/dbraw/zinc/03/90/01/573039001.db2.gz KQZUNMQDQUCGOL-HTQZYQBOSA-N 2 1 171.288 0.003 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]C1CCC(O)CC1 235448868 573039003 /nfs/dbraw/zinc/03/90/03/573039003.db2.gz GQZZMXHDFKLLCX-AFPNSQJFSA-N 2 1 172.272 0.227 10 0 ACAEMP NCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 88022393 573039049 /nfs/dbraw/zinc/03/90/49/573039049.db2.gz BUAMQWXEBFQDSE-WDEREUQCSA-N 2 1 198.310 0.572 10 0 ACAEMP CC[NH2+]CC[C@H]([NH3+])CF 104587202 573039081 /nfs/dbraw/zinc/03/90/81/573039081.db2.gz TVQJGTTWYYTXCP-LURJTMIESA-N 2 1 134.198 0.283 10 0 ACAEMP CO[C@H](C)C[N@H+]1CCC[C@H]1CC[NH3+] 308237578 573039379 /nfs/dbraw/zinc/03/93/79/573039379.db2.gz WSNSGDPWQSXJSX-ZJUUUORDSA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@H+]1CCC[C@H](C2([NH3+])COC2)C1 259315775 573039432 /nfs/dbraw/zinc/03/94/32/573039432.db2.gz ROHAAGDRGWNQFH-QMMMGPOBSA-N 2 1 170.256 0.056 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H](N)C(C)(C)[NH3+])C1 259316950 573039644 /nfs/dbraw/zinc/03/96/44/573039644.db2.gz KQZUNMQDQUCGOL-JGVFFNPUSA-N 2 1 171.288 0.003 10 0 ACAEMP CC1(O)CC[NH+]([C@H]2CCC[C@H]2[NH3+])CC1 88022911 573040298 /nfs/dbraw/zinc/04/02/98/573040298.db2.gz QLJYOGNJRUYDGO-ZJUUUORDSA-N 2 1 198.310 0.713 10 0 ACAEMP CC[N@@H+](C)CC[C@H](C)C[NH3+] 87998784 573040564 /nfs/dbraw/zinc/04/05/64/573040564.db2.gz XIMKUWSDNMPOGO-QMMMGPOBSA-N 2 1 144.262 0.923 10 0 ACAEMP C[N@H+]1CC[C@@H](c2oncc2C[NH3+])C1 257928106 573040609 /nfs/dbraw/zinc/04/06/09/573040609.db2.gz SNHMTQPNVKCVPV-SSDOTTSWSA-N 2 1 181.239 0.552 10 0 ACAEMP CC1(O)CC[NH+]([C@@H]2CCC[C@H]2[NH3+])CC1 88022910 573040657 /nfs/dbraw/zinc/04/06/57/573040657.db2.gz QLJYOGNJRUYDGO-NXEZZACHSA-N 2 1 198.310 0.713 10 0 ACAEMP CO[C@@H](C)C[N@H+]1CCC[C@H]1CC[NH3+] 308237576 573041161 /nfs/dbraw/zinc/04/11/61/573041161.db2.gz WSNSGDPWQSXJSX-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP CO[C@H](C)C[N@H+]1CCC[C@@H]1CC[NH3+] 308237575 573041184 /nfs/dbraw/zinc/04/11/84/573041184.db2.gz WSNSGDPWQSXJSX-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP CO[C@@]1(CC[NH3+])CC[N@H+](C(C)C)C1 257928019 573041433 /nfs/dbraw/zinc/04/14/33/573041433.db2.gz SJVZKUSJHVIEQG-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP [NH3+]C[C@@H]([NH2+]C1CCOCC1)C1CCC1 257928264 573041463 /nfs/dbraw/zinc/04/14/63/573041463.db2.gz ZHMRYJZLNMKFGI-LLVKDONJSA-N 2 1 198.310 0.882 10 0 ACAEMP C[NH2+]CCC[C@@H]([NH2+]C)[C@H]1CC[N@@H+](C)C1 259318703 573043117 /nfs/dbraw/zinc/04/31/17/573043117.db2.gz JPVUIQSWMQKCRO-WDEREUQCSA-N 3 1 199.342 0.526 10 0 ACAEMP C[NH2+]CCC[C@@H]([NH2+]C)[C@H]1CCN(C)C1 259318703 573043121 /nfs/dbraw/zinc/04/31/21/573043121.db2.gz JPVUIQSWMQKCRO-WDEREUQCSA-N 2 1 199.342 0.526 10 0 ACAEMP CO[C@]1(CC[NH3+])CC[N@H+](C(C)C)C1 257928021 573043161 /nfs/dbraw/zinc/04/31/61/573043161.db2.gz SJVZKUSJHVIEQG-SNVBAGLBSA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@@H+](CCC(N)=[NH2+])C[C@@H]1CCOC1 49688773 573043308 /nfs/dbraw/zinc/04/33/08/573043308.db2.gz CNMORSKTHPYJIO-QMMMGPOBSA-N 2 1 185.271 0.281 10 0 ACAEMP [NH3+]C[C@H]([NH2+]C1CCOCC1)C1CCC1 257928266 573043311 /nfs/dbraw/zinc/04/33/11/573043311.db2.gz ZHMRYJZLNMKFGI-NSHDSACASA-N 2 1 198.310 0.882 10 0 ACAEMP CC1(C)CCC[NH2+][C@@H]1C[NH3+] 104590449 573043797 /nfs/dbraw/zinc/04/37/97/573043797.db2.gz GPARMWPVNZHJPY-SSDOTTSWSA-N 2 1 142.246 0.723 10 0 ACAEMP CC[N@@H+]1CC[C@@H](C(F)(F)C[NH3+])C1 257933336 573043949 /nfs/dbraw/zinc/04/39/49/573043949.db2.gz TWWLAZLLSQKOET-SSDOTTSWSA-N 2 1 178.226 0.922 10 0 ACAEMP CC[N@H+]1CC[C@@H](C(F)(F)C[NH3+])C1 257933336 573043952 /nfs/dbraw/zinc/04/39/52/573043952.db2.gz TWWLAZLLSQKOET-SSDOTTSWSA-N 2 1 178.226 0.922 10 0 ACAEMP C[NH2+]CCC[C@H]([NH2+]C)[C@H]1CC[N@@H+](C)C1 259318699 573044275 /nfs/dbraw/zinc/04/42/75/573044275.db2.gz JPVUIQSWMQKCRO-QWRGUYRKSA-N 3 1 199.342 0.526 10 0 ACAEMP C[NH2+]CCC[C@H]([NH2+]C)[C@H]1CCN(C)C1 259318699 573044282 /nfs/dbraw/zinc/04/42/82/573044282.db2.gz JPVUIQSWMQKCRO-QWRGUYRKSA-N 2 1 199.342 0.526 10 0 ACAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CCCF 88026426 573044651 /nfs/dbraw/zinc/04/46/51/573044651.db2.gz KMEVBBYUUXHHDZ-BBBLOLIVSA-N 2 1 186.274 0.886 10 0 ACAEMP [NH3+]CC1C[NH+](CCCF)C1 88027137 573044678 /nfs/dbraw/zinc/04/46/78/573044678.db2.gz WEMHVJQXLZNEHQ-UHFFFAOYSA-N 2 1 146.209 0.237 10 0 ACAEMP C[C@H]1CN(CCC[NH3+])CCC[N@H+]1C 257934768 573045472 /nfs/dbraw/zinc/04/54/72/573045472.db2.gz BHBMIYQLZLFSIN-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP [NH3+]C[C@@]1(F)CC[N@H+]2CCC[C@@H]2C1 257935925 573045809 /nfs/dbraw/zinc/04/58/09/573045809.db2.gz UFXMWASZMLXRSM-RKDXNWHRSA-N 2 1 172.247 0.912 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]C[C@@H]1CC1(C)C 235453049 573046073 /nfs/dbraw/zinc/04/60/73/573046073.db2.gz JXQWNMNBZARRIL-SFYZADRCSA-N 2 1 156.273 0.969 10 0 ACAEMP C[C@@H]([NH3+])c1nc([C@H]2CC[N@H+](C)C2)no1 257936081 573046673 /nfs/dbraw/zinc/04/66/73/573046673.db2.gz HMQAXIUXRFLWMC-RQJHMYQMSA-N 2 1 196.254 0.508 10 0 ACAEMP C[C@@H]([NH3+])c1nc([C@H]2CC[N@@H+](C)C2)no1 257936081 573046680 /nfs/dbraw/zinc/04/66/80/573046680.db2.gz HMQAXIUXRFLWMC-RQJHMYQMSA-N 2 1 196.254 0.508 10 0 ACAEMP CC(=O)C[C@@]1([NH3+])CCC[NH2+]C1 257932774 573046961 /nfs/dbraw/zinc/04/69/61/573046961.db2.gz ACPHJIYORZBNTA-QMMMGPOBSA-N 2 1 156.229 0.046 10 0 ACAEMP CCO[C@@]1(CC[NH3+])CC[N@@H+](C)C1 257936068 573047064 /nfs/dbraw/zinc/04/70/64/573047064.db2.gz UIBHBNDXSVMERM-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP CCO[C@]1(CC[NH3+])CC[N@@H+](C)C1 257936065 573047294 /nfs/dbraw/zinc/04/72/94/573047294.db2.gz UIBHBNDXSVMERM-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP [NH3+]C[C@]1(F)CC[N@H+]2CCC[C@H]2C1 257935924 573047978 /nfs/dbraw/zinc/04/79/78/573047978.db2.gz UFXMWASZMLXRSM-IUCAKERBSA-N 2 1 172.247 0.912 10 0 ACAEMP C[NH2+]CCC[C@@H]([NH2+]C)[C@@H]1CC[N@@H+](C)C1 259318692 573048114 /nfs/dbraw/zinc/04/81/14/573048114.db2.gz JPVUIQSWMQKCRO-GHMZBOCLSA-N 3 1 199.342 0.526 10 0 ACAEMP C[NH2+]CCC[C@@H]([NH2+]C)[C@@H]1CCN(C)C1 259318692 573048119 /nfs/dbraw/zinc/04/81/19/573048119.db2.gz JPVUIQSWMQKCRO-GHMZBOCLSA-N 2 1 199.342 0.526 10 0 ACAEMP [NH3+]C[C@@]1(F)CC[N@H+]2CCC[C@H]2C1 257935923 573048165 /nfs/dbraw/zinc/04/81/65/573048165.db2.gz UFXMWASZMLXRSM-DTWKUNHWSA-N 2 1 172.247 0.912 10 0 ACAEMP CC1(C)CCC[NH2+][C@H]1C[NH3+] 104590455 573048415 /nfs/dbraw/zinc/04/84/15/573048415.db2.gz GPARMWPVNZHJPY-ZETCQYMHSA-N 2 1 142.246 0.723 10 0 ACAEMP CC1=[NH+]CCCN1CC[NH3+] 238258626 573048464 /nfs/dbraw/zinc/04/84/64/573048464.db2.gz ZLGILXMIYZBUIO-UHFFFAOYSA-N 2 1 141.218 0.069 10 0 ACAEMP CC(=O)C[C@]1([NH3+])CCC[NH2+]C1 257932772 573048600 /nfs/dbraw/zinc/04/86/00/573048600.db2.gz ACPHJIYORZBNTA-MRVPVSSYSA-N 2 1 156.229 0.046 10 0 ACAEMP C[C@H]([NH3+])c1nc([C@@H]2CC[N@H+](C)C2)no1 257936075 573048797 /nfs/dbraw/zinc/04/87/97/573048797.db2.gz HMQAXIUXRFLWMC-NKWVEPMBSA-N 2 1 196.254 0.508 10 0 ACAEMP C[C@H]([NH3+])c1nc([C@@H]2CC[N@@H+](C)C2)no1 257936075 573048804 /nfs/dbraw/zinc/04/88/04/573048804.db2.gz HMQAXIUXRFLWMC-NKWVEPMBSA-N 2 1 196.254 0.508 10 0 ACAEMP C[C@@H]([NH3+])c1nc([C@@H]2CC[N@H+](C)C2)no1 257936078 573048894 /nfs/dbraw/zinc/04/88/94/573048894.db2.gz HMQAXIUXRFLWMC-RNFRBKRXSA-N 2 1 196.254 0.508 10 0 ACAEMP C[C@@H]([NH3+])c1nc([C@@H]2CC[N@@H+](C)C2)no1 257936078 573048896 /nfs/dbraw/zinc/04/88/96/573048896.db2.gz HMQAXIUXRFLWMC-RNFRBKRXSA-N 2 1 196.254 0.508 10 0 ACAEMP C[C@@H]1CN(CCC[NH3+])CCC[N@H+]1C 257934770 573049102 /nfs/dbraw/zinc/04/91/02/573049102.db2.gz BHBMIYQLZLFSIN-SNVBAGLBSA-N 2 1 185.315 0.361 10 0 ACAEMP [NH3+]C[C@]1(F)CC[N@H+]2CCC[C@@H]2C1 257935922 573049114 /nfs/dbraw/zinc/04/91/14/573049114.db2.gz UFXMWASZMLXRSM-BDAKNGLRSA-N 2 1 172.247 0.912 10 0 ACAEMP C[C@H]([NH3+])c1nc([C@H]2CC[N@H+](C)C2)no1 257936072 573049683 /nfs/dbraw/zinc/04/96/83/573049683.db2.gz HMQAXIUXRFLWMC-BQBZGAKWSA-N 2 1 196.254 0.508 10 0 ACAEMP C[C@H]([NH3+])c1nc([C@H]2CC[N@@H+](C)C2)no1 257936072 573049690 /nfs/dbraw/zinc/04/96/90/573049690.db2.gz HMQAXIUXRFLWMC-BQBZGAKWSA-N 2 1 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/nfs/dbraw/zinc/12/01/40/573120140.db2.gz JAXDXSZAFINXJM-GMTAPVOTSA-N 2 1 199.342 0.654 10 0 ACAEMP C[NH2+][C@H](C[C@@H](C)[NH3+])[C@@H]1CCC[N@H+](C)C1 259330880 573120143 /nfs/dbraw/zinc/12/01/43/573120143.db2.gz JAXDXSZAFINXJM-GMTAPVOTSA-N 3 1 199.342 0.654 10 0 ACAEMP C[NH2+][C@H](C[C@@H](C)[NH3+])[C@@H]1CCC[N@@H+](C)C1 259330880 573120149 /nfs/dbraw/zinc/12/01/49/573120149.db2.gz JAXDXSZAFINXJM-GMTAPVOTSA-N 3 1 199.342 0.654 10 0 ACAEMP CC1(C)C[NH2+]C(C)(C)[C@H]1[NH3+] 104648443 573120457 /nfs/dbraw/zinc/12/04/57/573120457.db2.gz WGAKHVAGQTXWJX-LURJTMIESA-N 2 1 142.246 0.722 10 0 ACAEMP CN[C@@H]([C@H]1CCC[N@@H+](C)C1)C(C)(C)[NH3+] 259331109 573120761 /nfs/dbraw/zinc/12/07/61/573120761.db2.gz JCFHBRGDLGYFTP-UWVGGRQHSA-N 2 1 199.342 0.654 10 0 ACAEMP C[N@H+]([C@@H]1CCCOC1)C(C)(C)C[NH3+] 224836295 573120802 /nfs/dbraw/zinc/12/08/02/573120802.db2.gz SBBBCRLPCYOBSS-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@@H+]([C@@H]1CCCOC1)C(C)(C)C[NH3+] 224836295 573120808 /nfs/dbraw/zinc/12/08/08/573120808.db2.gz SBBBCRLPCYOBSS-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@@H+]1CCCCCO 82595139 573121084 /nfs/dbraw/zinc/12/10/84/573121084.db2.gz GENIDGSNLDIYOY-SNVBAGLBSA-N 2 1 186.299 0.572 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@H+]1CCCCCO 82595139 573121086 /nfs/dbraw/zinc/12/10/86/573121086.db2.gz GENIDGSNLDIYOY-SNVBAGLBSA-N 2 1 186.299 0.572 10 0 ACAEMP CC1(C)C[NH2+]C(C)(C)[C@@H]1[NH3+] 104648439 573121158 /nfs/dbraw/zinc/12/11/58/573121158.db2.gz WGAKHVAGQTXWJX-ZCFIWIBFSA-N 2 1 142.246 0.722 10 0 ACAEMP CC(C)[NH+]1CCC([C@@H]([NH3+])C[NH3+])CC1 257947181 573122264 /nfs/dbraw/zinc/12/22/64/573122264.db2.gz AEBAWCIBBAWIKF-JTQLQIEISA-N 3 1 185.315 0.393 10 0 ACAEMP CC[C@@H]1C[C@H](C[NH3+])[N@H+](C)C1 212205259 573122265 /nfs/dbraw/zinc/12/22/65/573122265.db2.gz FCSRGFAOXQWTBG-HTQZYQBOSA-N 2 1 142.246 0.675 10 0 ACAEMP CCNC(=[NH2+])[C@@H]([NH3+])CC 104650958 573122199 /nfs/dbraw/zinc/12/21/99/573122199.db2.gz BQDJVPURBJRSNC-YFKPBYRVSA-N 2 1 129.207 0.310 10 0 ACAEMP CC[C@@H]1C[C@H](CN)[N@@H+](C)C1 212205259 573122250 /nfs/dbraw/zinc/12/22/50/573122250.db2.gz FCSRGFAOXQWTBG-HTQZYQBOSA-N 2 1 142.246 0.675 10 0 ACAEMP CCC[C@@H]1SC[C@@H]([NH3+])[C@@H]1[NH3+] 238280940 573122701 /nfs/dbraw/zinc/12/27/01/573122701.db2.gz ASMRFYCGVRPOPA-VQVTYTSYSA-N 2 1 160.286 0.557 10 0 ACAEMP CC(C)[NH+]1CCC([C@H]([NH3+])C[NH3+])CC1 257947184 573122827 /nfs/dbraw/zinc/12/28/27/573122827.db2.gz AEBAWCIBBAWIKF-SNVBAGLBSA-N 3 1 185.315 0.393 10 0 ACAEMP C[C@H]1C[N@H+](C)CCN1C(=[NH2+])NC1CC1 235714879 573123559 /nfs/dbraw/zinc/12/35/59/573123559.db2.gz NLUDABCJINBHKT-QMMMGPOBSA-N 2 1 196.298 0.309 10 0 ACAEMP [NH3+]C[C@@H](F)c1cnc[nH]1 104652154 573123564 /nfs/dbraw/zinc/12/35/64/573123564.db2.gz ZWWQNZLDQCQJDX-SCSAIBSYSA-N 2 1 129.138 0.379 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1C(=[NH2+])NC1CC1 235714879 573123568 /nfs/dbraw/zinc/12/35/68/573123568.db2.gz NLUDABCJINBHKT-QMMMGPOBSA-N 2 1 196.298 0.309 10 0 ACAEMP [NH3+]C[C@H](F)c1cnc[nH]1 104652157 573123951 /nfs/dbraw/zinc/12/39/51/573123951.db2.gz ZWWQNZLDQCQJDX-BYPYZUCNSA-N 2 1 129.138 0.379 10 0 ACAEMP Cc1c[nH+]c(CC[NH3+])n1C 642845587 573124035 /nfs/dbraw/zinc/12/40/35/573124035.db2.gz HFGIZPRBAYUNTN-UHFFFAOYSA-N 2 1 138.194 0.344 10 0 ACAEMP C[C@H]([NH3+])C1CCN(c2[nH]cc[nH+]2)CC1 235478413 573124179 /nfs/dbraw/zinc/12/41/79/573124179.db2.gz CSBFYKZDCDXTLW-QMMMGPOBSA-N 2 1 194.282 0.973 10 0 ACAEMP C[NH2+]CN1CC[N@H+]2CCCC[C@H]2C1 259335025 573124242 /nfs/dbraw/zinc/12/42/42/573124242.db2.gz XQLOXAJFVNCPBW-JTQLQIEISA-N 2 1 183.299 0.333 10 0 ACAEMP C[C@H](CC[NH3+])[C@@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259337268 573124785 /nfs/dbraw/zinc/12/47/85/573124785.db2.gz LLGMIJFJVFJJGD-OPRDCNLKSA-N 3 1 185.315 0.250 10 0 ACAEMP C[NH2+]CN1CC[N@H+]2CCCC[C@@H]2C1 259335027 573125642 /nfs/dbraw/zinc/12/56/42/573125642.db2.gz XQLOXAJFVNCPBW-SNVBAGLBSA-N 2 1 183.299 0.333 10 0 ACAEMP C[C@H](CC[NH3+])[C@H]([NH3+])[C@H]1CC[N@@H+](C)C1 259337273 573125849 /nfs/dbraw/zinc/12/58/49/573125849.db2.gz LLGMIJFJVFJJGD-UTLUCORTSA-N 3 1 185.315 0.250 10 0 ACAEMP CCC[N@H+]1CCC[C@@H](N(C)CC[NH3+])C1 258480111 573126387 /nfs/dbraw/zinc/12/63/87/573126387.db2.gz BHQDAEFFPHXAIM-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP C[C@H](CC[NH3+])[C@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259337257 573126737 /nfs/dbraw/zinc/12/67/37/573126737.db2.gz LLGMIJFJVFJJGD-BBBLOLIVSA-N 3 1 185.315 0.250 10 0 ACAEMP CC[C@@H]1[C@H]2COCC[C@@H]2[NH2+]CC[N@H+]1C 238282235 573127202 /nfs/dbraw/zinc/12/72/02/573127202.db2.gz ADXRXEBMGMBYFR-GARJFASQSA-N 2 1 198.310 0.705 10 0 ACAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCO 131980392 573127356 /nfs/dbraw/zinc/12/73/56/573127356.db2.gz ORUDIRJFNAGBOD-UWVGGRQHSA-N 2 1 186.299 0.299 10 0 ACAEMP C[NH2+]C[C@@H](C[NH3+])[C@H]1CC[N@H+](C(C)C)C1 258235104 573127545 /nfs/dbraw/zinc/12/75/45/573127545.db2.gz RQEKXSVIJPBGSH-WDEREUQCSA-N 3 1 199.342 0.511 10 0 ACAEMP C[NH2+]C[C@H](C[NH3+])[C@H]1CC[N@H+](C(C)C)C1 258235101 573127603 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/nfs/dbraw/zinc/21/62/19/573216219.db2.gz MZZQEPNFSULUCC-VWYCJHECSA-N 3 1 199.342 0.640 10 0 ACAEMP [NH3+]C[C@]1(CCO)CC[N@H+]2CCC[C@H]2C1 257761686 573216560 /nfs/dbraw/zinc/21/65/60/573216560.db2.gz OAUOJWMHXUJFLK-QWRGUYRKSA-N 2 1 198.310 0.572 10 0 ACAEMP C[NH2+][C@H]1COC[C@H]1c1c[nH+]c(C)n1C 687956536 573217592 /nfs/dbraw/zinc/21/75/92/573217592.db2.gz ZTIXEWGINSIKGN-BDAKNGLRSA-N 2 1 195.266 0.430 10 0 ACAEMP [NH3+]C[C@@]1(CCO)CC[N@H+]2CCC[C@H]2C1 257761687 573217753 /nfs/dbraw/zinc/21/77/53/573217753.db2.gz OAUOJWMHXUJFLK-WDEREUQCSA-N 2 1 198.310 0.572 10 0 ACAEMP [NH3+]C[C@]1(CCO)C[C@@H]2CCCC[N@H+]2C1 257763044 573217787 /nfs/dbraw/zinc/21/77/87/573217787.db2.gz WFLUSYDBIWZDJD-QWRGUYRKSA-N 2 1 198.310 0.572 10 0 ACAEMP C[C@H](CC[NH3+])[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 259377109 573217792 /nfs/dbraw/zinc/21/77/92/573217792.db2.gz MZZQEPNFSULUCC-GMTAPVOTSA-N 3 1 199.342 0.640 10 0 ACAEMP [NH3+]C[C@]1(CCO)C[C@H]2CCCC[N@H+]2C1 257763043 573219418 /nfs/dbraw/zinc/21/94/18/573219418.db2.gz WFLUSYDBIWZDJD-MNOVXSKESA-N 2 1 198.310 0.572 10 0 ACAEMP [NH3+]C[C@@]1(CCO)CC[N@H+]2CCCC[C@@H]21 257762104 573219499 /nfs/dbraw/zinc/21/94/99/573219499.db2.gz PNXUODRSULMHKG-MNOVXSKESA-N 2 1 198.310 0.572 10 0 ACAEMP [NH3+]C[C@]1(CCO)CC[N@H+]2CCCC[C@@H]21 257762103 573219647 /nfs/dbraw/zinc/21/96/47/573219647.db2.gz PNXUODRSULMHKG-GHMZBOCLSA-N 2 1 198.310 0.572 10 0 ACAEMP CNC(=[NH2+])N1CC[C@H]2CC[C@@H](C1)[N@H+]2C 85975956 573219662 /nfs/dbraw/zinc/21/96/62/573219662.db2.gz RPFZKLRSIWKCOW-BDAKNGLRSA-N 2 1 196.298 0.309 10 0 ACAEMP CC[NH2+]CC(=O)[C@@H]1CC[N@@H+](C)C1 259037990 573220206 /nfs/dbraw/zinc/22/02/06/573220206.db2.gz ARYPVTFTGLLNKV-MRVPVSSYSA-N 2 1 170.256 0.117 10 0 ACAEMP [NH3+]CC1(C[NH2+]Cc2ccco2)COC1 258595842 573220228 /nfs/dbraw/zinc/22/02/28/573220228.db2.gz GWHYSQPSKPJZPZ-UHFFFAOYSA-N 2 1 196.250 0.345 10 0 ACAEMP CC[NH2+]CC(=O)[C@H]1CC[N@@H+](C)C1 259037992 573220436 /nfs/dbraw/zinc/22/04/36/573220436.db2.gz ARYPVTFTGLLNKV-QMMMGPOBSA-N 2 1 170.256 0.117 10 0 ACAEMP C[NH2+]CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C 85975579 573221104 /nfs/dbraw/zinc/22/11/04/573221104.db2.gz VALPHKVKHBYRSL-MNOVXSKESA-N 2 1 197.326 0.374 10 0 ACAEMP Cn1ccnc1CC[N@@H+](C)CCC[NH3+] 125932772 573221944 /nfs/dbraw/zinc/22/19/44/573221944.db2.gz LCTHAYYAHLMDMY-UHFFFAOYSA-N 2 1 196.298 0.243 10 0 ACAEMP [NH3+][C@H](c1ccncc1)[C@@H]1CC[NH2+]C1 259381547 573221977 /nfs/dbraw/zinc/22/19/77/573221977.db2.gz NEIAMLXAGAPVNH-NXEZZACHSA-N 2 1 177.251 0.691 10 0 ACAEMP C[NH2+]CCCN1CCC[N@@H+](C)[C@@H](C)C1 257974730 573222109 /nfs/dbraw/zinc/22/21/09/573222109.db2.gz DTSHKBNTXJLXGD-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP C[C@H]([C@H]1CC[N@@H+](C)C1)N1CC[NH2+]CC1 259384580 573222265 /nfs/dbraw/zinc/22/22/65/573222265.db2.gz WBBVAMOWHOHPMV-MNOVXSKESA-N 2 1 197.326 0.232 10 0 ACAEMP CC[NH2+]CCCC[NH+]1CCNCC1 258594219 573223824 /nfs/dbraw/zinc/22/38/24/573223824.db2.gz GRBIUJVKVMOOQY-UHFFFAOYSA-N 2 1 185.315 0.281 10 0 ACAEMP C[C@H]([C@@H]1CC[N@@H+](C)C1)N1CC[NH2+]CC1 259384579 573223310 /nfs/dbraw/zinc/22/33/10/573223310.db2.gz WBBVAMOWHOHPMV-GHMZBOCLSA-N 2 1 197.326 0.232 10 0 ACAEMP C[NH2+]CCCN1CCC[N@@H+](C)[C@H](C)C1 257974729 573223833 /nfs/dbraw/zinc/22/38/33/573223833.db2.gz DTSHKBNTXJLXGD-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP C[N@H+]1CCO[C@]2(CCC[NH2+]CC2)C1 238320478 573223608 /nfs/dbraw/zinc/22/36/08/573223608.db2.gz RZCWVNCWAMBWBL-JTQLQIEISA-N 2 1 184.283 0.461 10 0 ACAEMP C[C@@H]1C[C@@H](CC[NH3+])C[N@H+]1C 82839209 573223713 /nfs/dbraw/zinc/22/37/13/573223713.db2.gz CQEIUJCEFYCDJA-HTQZYQBOSA-N 2 1 142.246 0.675 10 0 ACAEMP C[NH2+][C@H](C1CCC1)[C@@H]1C[NH2+]CCN1C 259382787 573224595 /nfs/dbraw/zinc/22/45/95/573224595.db2.gz LYYOOVMUZBKYRX-WDEREUQCSA-N 2 1 197.326 0.278 10 0 ACAEMP C[C@@H](C[NH3+])[C@@H]1CC[N@@H+](C)C1 82839179 573226648 /nfs/dbraw/zinc/22/66/48/573226648.db2.gz IJDYAMZGVKAPBL-JGVFFNPUSA-N 2 1 142.246 0.533 10 0 ACAEMP C[NH2+]CC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009584 573226649 /nfs/dbraw/zinc/22/66/49/573226649.db2.gz XPRZHZOJCOUYSY-DTORHVGOSA-N 2 1 156.273 0.794 10 0 ACAEMP C[NH2+]CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009584 573226651 /nfs/dbraw/zinc/22/66/51/573226651.db2.gz XPRZHZOJCOUYSY-DTORHVGOSA-N 2 1 156.273 0.794 10 0 ACAEMP CC(=O)CCC[NH2+]CCC[NH+](C)C 258597791 573226309 /nfs/dbraw/zinc/22/63/09/573226309.db2.gz HDRFXVZTULTDGQ-UHFFFAOYSA-N 2 1 186.299 0.897 10 0 ACAEMP C[NH2+]CCc1[nH+]cc2c(N)cccn12 258597255 573226388 /nfs/dbraw/zinc/22/63/88/573226388.db2.gz SDHNUYYVQHJZDW-UHFFFAOYSA-N 2 1 190.250 0.678 10 0 ACAEMP C[C@@H]([C@H]1CC[N@@H+](C)C1)N1CC[NH2+]CC1 259386606 573227207 /nfs/dbraw/zinc/22/72/07/573227207.db2.gz WBBVAMOWHOHPMV-QWRGUYRKSA-N 2 1 197.326 0.232 10 0 ACAEMP C[N@H+]1CC[C@H](C[C@H]2[NH2+]CCCO2)C1 258239643 573227362 /nfs/dbraw/zinc/22/73/62/573227362.db2.gz ZOYWWLIXUQJLKB-ZJUUUORDSA-N 2 1 184.283 0.664 10 0 ACAEMP C[N@@H+]1CC[C@H]([C@H](CO)[NH+]2CCCC2)C1 259387294 573228127 /nfs/dbraw/zinc/22/81/27/573228127.db2.gz RLWCXWHPVAQCSP-QWRGUYRKSA-N 2 1 198.310 0.395 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H](CO)[NH+]2CCCC2)C1 259387294 573228134 /nfs/dbraw/zinc/22/81/34/573228134.db2.gz RLWCXWHPVAQCSP-QWRGUYRKSA-N 2 1 198.310 0.395 10 0 ACAEMP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCOC2)C[C@@H]1C 86008771 573229243 /nfs/dbraw/zinc/22/92/43/573229243.db2.gz PUWXEZPXACURPY-AXFHLTTASA-N 2 1 198.310 0.692 10 0 ACAEMP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCOC2)C[C@@H]1C 86008771 573229234 /nfs/dbraw/zinc/22/92/34/573229234.db2.gz PUWXEZPXACURPY-AXFHLTTASA-N 2 1 198.310 0.692 10 0 ACAEMP COC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H]1C1CC1 716606985 573230703 /nfs/dbraw/zinc/23/07/03/573230703.db2.gz OBQRMBDBSCQQAP-IVZWLZJFSA-N 2 1 184.283 0.348 10 0 ACAEMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc[nH]1 259039963 573230987 /nfs/dbraw/zinc/23/09/87/573230987.db2.gz PFJPEMINKMCGOT-ZJUUUORDSA-N 2 1 179.267 0.984 10 0 ACAEMP C[N@@H+]1CC[C@@H](C2CC2)[C@@H]1C[NH3+] 238321256 573230741 /nfs/dbraw/zinc/23/07/41/573230741.db2.gz PZFPIINNOCXLGV-IUCAKERBSA-N 2 1 154.257 0.675 10 0 ACAEMP C[N@H+]1CC[C@@H](C2CC2)[C@@H]1C[NH3+] 238321256 573230751 /nfs/dbraw/zinc/23/07/51/573230751.db2.gz PZFPIINNOCXLGV-IUCAKERBSA-N 2 1 154.257 0.675 10 0 ACAEMP [NH3+]C[C@H]([NH2+]C1CCOCC1)C1CC1 257975881 573230858 /nfs/dbraw/zinc/23/08/58/573230858.db2.gz ZDNADPKJMOTTTQ-JTQLQIEISA-N 2 1 184.283 0.492 10 0 ACAEMP C[C@@H]([C@@H]1CC[N@@H+](C)C1)N1CC[NH2+]CC1 259386610 573231281 /nfs/dbraw/zinc/23/12/81/573231281.db2.gz WBBVAMOWHOHPMV-WDEREUQCSA-N 2 1 197.326 0.232 10 0 ACAEMP CC1(C)[C@H](O)CC[N@H+]1CCCC[NH3+] 308313470 573231378 /nfs/dbraw/zinc/23/13/78/573231378.db2.gz ULUIMFBIJABEHV-SECBINFHSA-N 2 1 186.299 0.571 10 0 ACAEMP CC1(C)[C@@H](O)CC[N@H+]1CCCC[NH3+] 308313474 573231743 /nfs/dbraw/zinc/23/17/43/573231743.db2.gz ULUIMFBIJABEHV-VIFPVBQESA-N 2 1 186.299 0.571 10 0 ACAEMP CC[C@@H](C[NH3+])[NH2+]CC1CC(O)C1 393620465 573231806 /nfs/dbraw/zinc/23/18/06/573231806.db2.gz QFDXGBPVNFAPGK-MGURRDGZSA-N 2 1 172.272 0.084 10 0 ACAEMP C[N@@H+]1CC[C@H]([C@@H](CO)[NH+]2CCCC2)C1 259387296 573232255 /nfs/dbraw/zinc/23/22/55/573232255.db2.gz RLWCXWHPVAQCSP-WDEREUQCSA-N 2 1 198.310 0.395 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H](CO)[NH+]2CCCC2)C1 259387296 573232267 /nfs/dbraw/zinc/23/22/67/573232267.db2.gz RLWCXWHPVAQCSP-WDEREUQCSA-N 2 1 198.310 0.395 10 0 ACAEMP Cn1ccc(C[NH2+]CC(C)(C)C[NH3+])n1 308525402 573232269 /nfs/dbraw/zinc/23/22/69/573232269.db2.gz ISGGSHSNKTXWAH-UHFFFAOYSA-N 2 1 196.298 0.495 10 0 ACAEMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc[nH]1 259039961 573233152 /nfs/dbraw/zinc/23/31/52/573233152.db2.gz PFJPEMINKMCGOT-VHSXEESVSA-N 2 1 179.267 0.984 10 0 ACAEMP Cc1[nH+]c[nH]c1CC(C)(C)[NH3+] 82842728 573232535 /nfs/dbraw/zinc/23/25/35/573232535.db2.gz CBTNRQHLTCLZNV-UHFFFAOYSA-N 2 1 153.229 0.998 10 0 ACAEMP COC[C@H](C[NH3+])[NH2+][C@H]1C[C@H]1C1CC1 716606981 573233086 /nfs/dbraw/zinc/23/30/86/573233086.db2.gz OBQRMBDBSCQQAP-GUBZILKMSA-N 2 1 184.283 0.348 10 0 ACAEMP COC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H]1C1CC1 716606990 573233197 /nfs/dbraw/zinc/23/31/97/573233197.db2.gz OBQRMBDBSCQQAP-LPEHRKFASA-N 2 1 184.283 0.348 10 0 ACAEMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc[nH]1 259039958 573233338 /nfs/dbraw/zinc/23/33/38/573233338.db2.gz PFJPEMINKMCGOT-UWVGGRQHSA-N 2 1 179.267 0.984 10 0 ACAEMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc[nH]1 259039956 573233478 /nfs/dbraw/zinc/23/34/78/573233478.db2.gz PFJPEMINKMCGOT-NXEZZACHSA-N 2 1 179.267 0.984 10 0 ACAEMP C[NH2+]CCC(=O)[C@@H]1CCC[N@@H+](C)C1 259039791 573234183 /nfs/dbraw/zinc/23/41/83/573234183.db2.gz AVKHLCFUCSCGCU-SECBINFHSA-N 2 1 184.283 0.507 10 0 ACAEMP C[NH2+]CCC(=O)[C@H]1CCC[N@@H+](C)C1 259039792 573234115 /nfs/dbraw/zinc/23/41/15/573234115.db2.gz AVKHLCFUCSCGCU-VIFPVBQESA-N 2 1 184.283 0.507 10 0 ACAEMP CC[C@@](C)(C[NH3+])[N@H+](C)CCO 50091260 573234903 /nfs/dbraw/zinc/23/49/03/573234903.db2.gz ROFRCEGJAZDOPW-QMMMGPOBSA-N 2 1 160.261 0.038 10 0 ACAEMP CC[C@@](C)(C[NH3+])[N@@H+](C)CCO 50091260 573234906 /nfs/dbraw/zinc/23/49/06/573234906.db2.gz ROFRCEGJAZDOPW-QMMMGPOBSA-N 2 1 160.261 0.038 10 0 ACAEMP C[N@H+]1CCC[C@@H]1c1ccnc(C[NH3+])n1 258243918 573234938 /nfs/dbraw/zinc/23/49/38/573234938.db2.gz NJZIHQGDDISNPS-SECBINFHSA-N 2 1 192.266 0.702 10 0 ACAEMP Cc1c[nH]c(N2CC[NH2+]CC2)[nH+]1 82855798 573236118 /nfs/dbraw/zinc/23/61/18/573236118.db2.gz YGJHXHPSCFDXLJ-UHFFFAOYSA-N 2 1 166.228 0.128 10 0 ACAEMP C[C@]1(C[C@@H]2CCC[NH2+]2)[NH2+]CCO1 258243388 573237781 /nfs/dbraw/zinc/23/77/81/573237781.db2.gz AICHRZAIAVEEKI-IUCAKERBSA-N 2 1 170.256 0.465 10 0 ACAEMP C[NH2+][C@H](CC[C@H](C)[NH3+])[C@H]1CCN(C)C1 259604103 573237889 /nfs/dbraw/zinc/23/78/89/573237889.db2.gz YEIHYPYVJOQRKI-GARJFASQSA-N 2 1 199.342 0.654 10 0 ACAEMP C[NH2+][C@H](CC[C@H](C)[NH3+])[C@H]1CC[N@@H+](C)C1 259604103 573237884 /nfs/dbraw/zinc/23/78/84/573237884.db2.gz YEIHYPYVJOQRKI-GARJFASQSA-N 3 1 199.342 0.654 10 0 ACAEMP C[C@@H](C[NH3+])C1([C@@H]2CC[N@@H+](C)C2)COC1 259043355 573237988 /nfs/dbraw/zinc/23/79/88/573237988.db2.gz ACRBSTRAYFRPJQ-VHSXEESVSA-N 2 1 198.310 0.550 10 0 ACAEMP COC[C@H](C1CC1)[N@H+]1CC[C@@H]([NH3+])[C@@H]1C 308528681 573238403 /nfs/dbraw/zinc/23/84/03/573238403.db2.gz JYNHYJUFELLNOZ-JMJZKYOTSA-N 2 1 198.310 0.833 10 0 ACAEMP C[C@H](C[NH3+])C1([C@H]2CC[N@@H+](C)C2)COC1 259043367 573240210 /nfs/dbraw/zinc/24/02/10/573240210.db2.gz ACRBSTRAYFRPJQ-ZJUUUORDSA-N 2 1 198.310 0.550 10 0 ACAEMP CN1CC[NH2+]C[C@H]1C[C@@H]1CC[N@@H+](C)C1 259044240 573241112 /nfs/dbraw/zinc/24/11/12/573241112.db2.gz DFNZRMDVIAMLIR-WDEREUQCSA-N 2 1 197.326 0.232 10 0 ACAEMP COc1ccncc1C[NH2+]CCC[NH3+] 308521756 573241763 /nfs/dbraw/zinc/24/17/63/573241763.db2.gz YECKIEUQXXIWTA-UHFFFAOYSA-N 2 1 195.266 0.529 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@@]12CC[C@@H](C[NH3+])O2 686242201 573244749 /nfs/dbraw/zinc/24/47/49/573244749.db2.gz LSODQAUCIDOIRA-VWYCJHECSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@]12CC[C@@H](C[NH3+])O2 686242200 573244913 /nfs/dbraw/zinc/24/49/13/573244913.db2.gz LSODQAUCIDOIRA-OUAUKWLOSA-N 2 1 198.310 0.835 10 0 ACAEMP COCCC[N@H+]1C[C@H]2[C@H](C[NH3+])[C@H]2C1 259046226 573245050 /nfs/dbraw/zinc/24/50/50/573245050.db2.gz ARDFVHZGPKFUTN-OWUUHHOZSA-N 2 1 184.283 0.159 10 0 ACAEMP C[NH2+][C@H]([C@@H](C)O)[C@@H]1CCC[N@@H+](C)C1 259391171 573246445 /nfs/dbraw/zinc/24/64/45/573246445.db2.gz RORJWWMBGAVXCY-OPRDCNLKSA-N 2 1 186.299 0.297 10 0 ACAEMP C[NH+](C)[C@H](CO)[C@@H]1CCC[N@H+](C)C1 259049740 573248004 /nfs/dbraw/zinc/24/80/04/573248004.db2.gz LKVWIHDBFPKDNP-NXEZZACHSA-N 2 1 186.299 0.251 10 0 ACAEMP C[NH+](C)[C@H](CO)[C@@H]1CCC[N@@H+](C)C1 259049740 573248008 /nfs/dbraw/zinc/24/80/08/573248008.db2.gz LKVWIHDBFPKDNP-NXEZZACHSA-N 2 1 186.299 0.251 10 0 ACAEMP C[NH+](C)[C@@H](CO)[C@H]1CCC[N@H+](C)C1 259049741 573248122 /nfs/dbraw/zinc/24/81/22/573248122.db2.gz LKVWIHDBFPKDNP-UWVGGRQHSA-N 2 1 186.299 0.251 10 0 ACAEMP C[NH+](C)[C@@H](CO)[C@H]1CCC[N@@H+](C)C1 259049741 573248124 /nfs/dbraw/zinc/24/81/24/573248124.db2.gz LKVWIHDBFPKDNP-UWVGGRQHSA-N 2 1 186.299 0.251 10 0 ACAEMP C[C@H]1CC[N@H+](CCO[C@@H](C)C(N)=[NH2+])C1 308522558 573247896 /nfs/dbraw/zinc/24/78/96/573247896.db2.gz IGKBSJFLRMGOOT-IUCAKERBSA-N 2 1 199.298 0.669 10 0 ACAEMP CC[C@@H](C[N@@H+](C)CCC[NH3+])OC 219651329 573247966 /nfs/dbraw/zinc/24/79/66/573247966.db2.gz FKSDRCPMBOARSJ-VIFPVBQESA-N 2 1 174.288 0.692 10 0 ACAEMP C[N@H+]1CCN2CCC[C@@H](CC[NH3+])[C@@H]2C1 238317250 573248180 /nfs/dbraw/zinc/24/81/80/573248180.db2.gz VDIPDTUOAMPNJC-QWRGUYRKSA-N 2 1 197.326 0.361 10 0 ACAEMP CN1CC[N@@H+]2CCC[C@@H](CC[NH3+])[C@@H]2C1 238317250 573248187 /nfs/dbraw/zinc/24/81/87/573248187.db2.gz VDIPDTUOAMPNJC-QWRGUYRKSA-N 2 1 197.326 0.361 10 0 ACAEMP CN1CC[N@H+]2CCC[C@@H](CC[NH3+])[C@@H]2C1 238317250 573248192 /nfs/dbraw/zinc/24/81/92/573248192.db2.gz VDIPDTUOAMPNJC-QWRGUYRKSA-N 2 1 197.326 0.361 10 0 ACAEMP C[C@H]1CC[N@H+](CCO[C@H](C)C(N)=[NH2+])C1 308522557 573248517 /nfs/dbraw/zinc/24/85/17/573248517.db2.gz IGKBSJFLRMGOOT-DTWKUNHWSA-N 2 1 199.298 0.669 10 0 ACAEMP COC[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 259048267 573248778 /nfs/dbraw/zinc/24/87/78/573248778.db2.gz JRTIDDCVFTVGBF-JTQLQIEISA-N 2 1 186.299 0.912 10 0 ACAEMP C[C@H]([NH3+])C1([NH+](C)C)CC1 259048543 573249972 /nfs/dbraw/zinc/24/99/72/573249972.db2.gz ATLKWFPYSYKQTR-LURJTMIESA-N 2 1 128.219 0.428 10 0 ACAEMP [NH3+][C@H](CO)C[NH2+]CCC1CCCC1 259044930 573249852 /nfs/dbraw/zinc/24/98/52/573249852.db2.gz PMPHJJNGDAOZPZ-JTQLQIEISA-N 2 1 186.299 0.476 10 0 ACAEMP C[NH+](C)[C@H](CO)[C@H]1CCC[N@H+](C)C1 259049742 573249890 /nfs/dbraw/zinc/24/98/90/573249890.db2.gz LKVWIHDBFPKDNP-VHSXEESVSA-N 2 1 186.299 0.251 10 0 ACAEMP C[NH+](C)[C@H](CO)[C@H]1CCC[N@@H+](C)C1 259049742 573249895 /nfs/dbraw/zinc/24/98/95/573249895.db2.gz LKVWIHDBFPKDNP-VHSXEESVSA-N 2 1 186.299 0.251 10 0 ACAEMP [NH3+][C@@H](CO)C[NH2+]CCC1CCCC1 259044933 573249918 /nfs/dbraw/zinc/24/99/18/573249918.db2.gz PMPHJJNGDAOZPZ-SNVBAGLBSA-N 2 1 186.299 0.476 10 0 ACAEMP Cc1[nH+]cn(C[C@@H](C)[NH2+]CCO)c1C 129180232 573250062 /nfs/dbraw/zinc/25/00/62/573250062.db2.gz BKXDGKUDVRKUBO-MRVPVSSYSA-N 2 1 197.282 0.470 10 0 ACAEMP [NH3+][C@@H]1CCn2c(c[nH+]c2CCCO)C1 258245064 573250105 /nfs/dbraw/zinc/25/01/05/573250105.db2.gz MCLHSNJAMHICOS-MRVPVSSYSA-N 2 1 195.266 0.082 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H](O)C(C)(C)[NH3+])C1 259047647 573250806 /nfs/dbraw/zinc/25/08/06/573250806.db2.gz GBVIPCNUUKINMT-IUCAKERBSA-N 2 1 186.299 0.426 10 0 ACAEMP C[NH+](C)C[C@@H](O)[C@@H]1CCCC[NH2+]1 238318489 573252265 /nfs/dbraw/zinc/25/22/65/573252265.db2.gz WDSUVEPFCVCBFU-DTWKUNHWSA-N 2 1 172.272 0.051 10 0 ACAEMP C[NH2+][C@@H](c1cccnc1)C1C[NH2+]C1 259392311 573252360 /nfs/dbraw/zinc/25/23/60/573252360.db2.gz MIHSBCVRYCMIKL-JTQLQIEISA-N 2 1 177.251 0.562 10 0 ACAEMP C[NH2+][C@H](c1cccnc1)C1C[NH2+]C1 259392315 573252764 /nfs/dbraw/zinc/25/27/64/573252764.db2.gz MIHSBCVRYCMIKL-SNVBAGLBSA-N 2 1 177.251 0.562 10 0 ACAEMP C[N@H+]1CC[C@@H](NCC[C@@H]2CCC[NH2+]2)C1 259056195 573252851 /nfs/dbraw/zinc/25/28/51/573252851.db2.gz QTSFTYHLPKZSBU-WDEREUQCSA-N 2 1 197.326 0.422 10 0 ACAEMP CN1CC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]2)C1 259056195 573252857 /nfs/dbraw/zinc/25/28/57/573252857.db2.gz QTSFTYHLPKZSBU-WDEREUQCSA-N 2 1 197.326 0.422 10 0 ACAEMP C[N@H+]1CCCN([C@H]2CCC[NH2+]2)CC1 258251798 573252963 /nfs/dbraw/zinc/25/29/63/573252963.db2.gz SVFXTVWAWPJWGA-JTQLQIEISA-N 2 1 183.299 0.333 10 0 ACAEMP C[C@H]([NH3+])C[C@@H]1CCCC[N@@H+]1CC(N)=O 308530082 573253422 /nfs/dbraw/zinc/25/34/22/573253422.db2.gz CDICDFJXFIFGMT-IUCAKERBSA-N 2 1 199.298 0.064 10 0 ACAEMP C[C@H]([NH3+])C[C@@H]1CCCC[N@H+]1CC(N)=O 308530082 573253425 /nfs/dbraw/zinc/25/34/25/573253425.db2.gz CDICDFJXFIFGMT-IUCAKERBSA-N 2 1 199.298 0.064 10 0 ACAEMP C[N@@H+]1CC[NH2+]C[C@H](CC2CC2)C1 238317894 573253525 /nfs/dbraw/zinc/25/35/25/573253525.db2.gz MXUPWPLCQFBHLH-JTQLQIEISA-N 2 1 168.284 0.938 10 0 ACAEMP C[N@@H+]1CC[NH2+]C[C@@H](CC2CC2)C1 238317851 573253581 /nfs/dbraw/zinc/25/35/81/573253581.db2.gz MXUPWPLCQFBHLH-SNVBAGLBSA-N 2 1 168.284 0.938 10 0 ACAEMP C[N@H+]1CC[C@H](NCC[C@@H]2CCC[NH2+]2)C1 259056193 573254086 /nfs/dbraw/zinc/25/40/86/573254086.db2.gz QTSFTYHLPKZSBU-QWRGUYRKSA-N 2 1 197.326 0.422 10 0 ACAEMP CN1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]2)C1 259056193 573254090 /nfs/dbraw/zinc/25/40/90/573254090.db2.gz QTSFTYHLPKZSBU-QWRGUYRKSA-N 2 1 197.326 0.422 10 0 ACAEMP CC[N@@H+](C)C[C@H](C)CN1CC[NH2+]CC1 259052292 573254111 /nfs/dbraw/zinc/25/41/11/573254111.db2.gz SEYSFXUFTFWHOX-NSHDSACASA-N 2 1 199.342 0.479 10 0 ACAEMP C[N@H+]1CC[C@H](C2([NH3+])CC2)C12CC2 258611309 573254284 /nfs/dbraw/zinc/25/42/84/573254284.db2.gz VXGJZJVBWJPKHS-MRVPVSSYSA-N 2 1 166.268 0.962 10 0 ACAEMP C[C@@H](C[NH3+])C[NH2+]Cc1cccnn1 308328469 573254655 /nfs/dbraw/zinc/25/46/55/573254655.db2.gz IOTBYWHIXPIDQP-QMMMGPOBSA-N 2 1 180.255 0.161 10 0 ACAEMP C[N@H+]1CC[C@H](C(=O)CC(C)(C)[NH3+])C1 259053261 573254697 /nfs/dbraw/zinc/25/46/97/573254697.db2.gz CCEGVIYMDGYLSG-QMMMGPOBSA-N 2 1 184.283 0.635 10 0 ACAEMP C[NH+]1CCC([C@H]2CNCC[N@@H+]2C)CC1 259395473 573254736 /nfs/dbraw/zinc/25/47/36/573254736.db2.gz WPDIJRMDRAEYFP-LLVKDONJSA-N 2 1 197.326 0.232 10 0 ACAEMP C[NH+]1CCC([C@H]2CNCC[N@H+]2C)CC1 259395473 573254743 /nfs/dbraw/zinc/25/47/43/573254743.db2.gz WPDIJRMDRAEYFP-LLVKDONJSA-N 2 1 197.326 0.232 10 0 ACAEMP C[C@@H]([NH3+])C[C@@H]1CCCC[N@@H+]1CC(N)=O 308530080 573254766 /nfs/dbraw/zinc/25/47/66/573254766.db2.gz CDICDFJXFIFGMT-BDAKNGLRSA-N 2 1 199.298 0.064 10 0 ACAEMP C[C@@H]([NH3+])C[C@@H]1CCCC[N@H+]1CC(N)=O 308530080 573254770 /nfs/dbraw/zinc/25/47/70/573254770.db2.gz CDICDFJXFIFGMT-BDAKNGLRSA-N 2 1 199.298 0.064 10 0 ACAEMP COCC[N@H+](C)[C@]1(C[NH3+])CC[C@H]2C[C@H]21 308530485 573254833 /nfs/dbraw/zinc/25/48/33/573254833.db2.gz JZSYJQLZSKBKSS-AXFHLTTASA-N 2 1 198.310 0.692 10 0 ACAEMP COCC[N@@H+](C)[C@]1(C[NH3+])CC[C@H]2C[C@H]21 308530485 573254838 /nfs/dbraw/zinc/25/48/38/573254838.db2.gz JZSYJQLZSKBKSS-AXFHLTTASA-N 2 1 198.310 0.692 10 0 ACAEMP C[C@@H]([NH3+])C[C@H]1CCCC[N@@H+]1CC(N)=O 308530083 573255826 /nfs/dbraw/zinc/25/58/26/573255826.db2.gz CDICDFJXFIFGMT-RKDXNWHRSA-N 2 1 199.298 0.064 10 0 ACAEMP C[C@@H]([NH3+])C[C@H]1CCCC[N@H+]1CC(N)=O 308530083 573255829 /nfs/dbraw/zinc/25/58/29/573255829.db2.gz CDICDFJXFIFGMT-RKDXNWHRSA-N 2 1 199.298 0.064 10 0 ACAEMP C[N@H+]1CCCN([C@@H]2CCC[NH2+]2)CC1 258251801 573256071 /nfs/dbraw/zinc/25/60/71/573256071.db2.gz SVFXTVWAWPJWGA-SNVBAGLBSA-N 2 1 183.299 0.333 10 0 ACAEMP C[C@H](C[NH3+])C[NH2+]Cc1cccnn1 308328354 573256119 /nfs/dbraw/zinc/25/61/19/573256119.db2.gz IOTBYWHIXPIDQP-MRVPVSSYSA-N 2 1 180.255 0.161 10 0 ACAEMP C[C@H]([N@@H+](C)C[C@H](O)C[NH3+])C(C)(C)C 42746924 573256375 /nfs/dbraw/zinc/25/63/75/573256375.db2.gz QTZOUVDPFYHRGC-DTWKUNHWSA-N 2 1 188.315 0.672 10 0 ACAEMP CC[N@@H+](C)C[C@@H](C)CN1CC[NH2+]CC1 259052291 573256531 /nfs/dbraw/zinc/25/65/31/573256531.db2.gz SEYSFXUFTFWHOX-LLVKDONJSA-N 2 1 199.342 0.479 10 0 ACAEMP C[N@H+]1CC[C@@H](C2([NH3+])CC2)C12CC2 258611312 573256712 /nfs/dbraw/zinc/25/67/12/573256712.db2.gz VXGJZJVBWJPKHS-QMMMGPOBSA-N 2 1 166.268 0.962 10 0 ACAEMP CC[C@H](C[NH3+])CN[C@H]1CC[N@@H+](C)C1 259057637 573258653 /nfs/dbraw/zinc/25/86/53/573258653.db2.gz SPQDRANGFRKXBJ-ZJUUUORDSA-N 2 1 185.315 0.265 10 0 ACAEMP CC[C@H](C[NH3+])C[NH2+][C@H]1CCN(C)C1 259057637 573258657 /nfs/dbraw/zinc/25/86/57/573258657.db2.gz SPQDRANGFRKXBJ-ZJUUUORDSA-N 2 1 185.315 0.265 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H](O)C[NH+]2CCCC2)C1 258263541 573259429 /nfs/dbraw/zinc/25/94/29/573259429.db2.gz UEBIVWGHJUNXDA-MNOVXSKESA-N 2 1 198.310 0.395 10 0 ACAEMP C[N@H+]1CC[C@@H](CC[C@@H]2COCC[NH2+]2)C1 259058194 573259464 /nfs/dbraw/zinc/25/94/64/573259464.db2.gz FPNBOWWXZHZTJD-GHMZBOCLSA-N 2 1 198.310 0.707 10 0 ACAEMP COCCc1cn2c([nH+]1)CC[C@H]([NH3+])C2 258264181 573259480 /nfs/dbraw/zinc/25/94/80/573259480.db2.gz ICLNEGHGUBVTIY-QMMMGPOBSA-N 2 1 195.266 0.346 10 0 ACAEMP C[C@@H]1CC[C@H](C[NH2+]CC[NH3+])O1 116320960 573259765 /nfs/dbraw/zinc/25/97/65/573259765.db2.gz YXFJVGDVBSZBJF-HTQZYQBOSA-N 2 1 158.245 0.102 10 0 ACAEMP Cn1cc[nH+]c1CC[C@@H]1COC[C@@H]1[NH3+] 687968890 573260427 /nfs/dbraw/zinc/26/04/27/573260427.db2.gz GXZXAGGYTSOSGY-BDAKNGLRSA-N 2 1 195.266 0.326 10 0 ACAEMP CC[N@@H+](C)CCCC[C@](C)([NH3+])CO 82885681 573260049 /nfs/dbraw/zinc/26/00/49/573260049.db2.gz CBHCJXLHNUGBMR-JTQLQIEISA-N 2 1 188.315 0.818 10 0 ACAEMP COC[C@@H]1C[C@H]([C@@H]2CCC[N@H+]2C)C[NH2+]1 258262260 573260224 /nfs/dbraw/zinc/26/02/24/573260224.db2.gz RGWSHKXEQIFTJS-DCAQKATOSA-N 2 1 198.310 0.705 10 0 ACAEMP CC[C@@H](C[NH3+])CN[C@H]1CC[N@@H+](C)C1 259057628 573260452 /nfs/dbraw/zinc/26/04/52/573260452.db2.gz SPQDRANGFRKXBJ-UWVGGRQHSA-N 2 1 185.315 0.265 10 0 ACAEMP CC[C@@H](C[NH3+])C[NH2+][C@H]1CCN(C)C1 259057628 573260457 /nfs/dbraw/zinc/26/04/57/573260457.db2.gz SPQDRANGFRKXBJ-UWVGGRQHSA-N 2 1 185.315 0.265 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H](O)C[NH+]2CCCC2)C1 258263544 573260474 /nfs/dbraw/zinc/26/04/74/573260474.db2.gz UEBIVWGHJUNXDA-QWRGUYRKSA-N 2 1 198.310 0.395 10 0 ACAEMP COC[C@@H]1C[C@@H]([C@H]2CCC[N@H+]2C)C[NH2+]1 258262266 573260529 /nfs/dbraw/zinc/26/05/29/573260529.db2.gz RGWSHKXEQIFTJS-OUAUKWLOSA-N 2 1 198.310 0.705 10 0 ACAEMP CC(C)[NH+]1CC(N[C@@H](C)C2C[NH2+]C2)C1 686244063 573260641 /nfs/dbraw/zinc/26/06/41/573260641.db2.gz ZECOZEVXZKQWCN-VIFPVBQESA-N 2 1 197.326 0.277 10 0 ACAEMP CC(C)N1CC([NH2+][C@@H](C)C2C[NH2+]C2)C1 686244063 573260648 /nfs/dbraw/zinc/26/06/48/573260648.db2.gz ZECOZEVXZKQWCN-VIFPVBQESA-N 2 1 197.326 0.277 10 0 ACAEMP CC[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](C)C1 259057624 573260877 /nfs/dbraw/zinc/26/08/77/573260877.db2.gz SPQDRANGFRKXBJ-NXEZZACHSA-N 2 1 185.315 0.265 10 0 ACAEMP CC[C@H](C[NH3+])C[NH2+][C@@H]1CCN(C)C1 259057624 573260881 /nfs/dbraw/zinc/26/08/81/573260881.db2.gz SPQDRANGFRKXBJ-NXEZZACHSA-N 2 1 185.315 0.265 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@H](O)C[NH+]2CCCC2)C1 258263538 573261534 /nfs/dbraw/zinc/26/15/34/573261534.db2.gz UEBIVWGHJUNXDA-GHMZBOCLSA-N 2 1 198.310 0.395 10 0 ACAEMP Cn1cc[nH+]c1CC[C@H]1COC[C@@H]1[NH3+] 687968892 573261671 /nfs/dbraw/zinc/26/16/71/573261671.db2.gz GXZXAGGYTSOSGY-IUCAKERBSA-N 2 1 195.266 0.326 10 0 ACAEMP C[NH2+]C[C@@H](CO)[C@@H]1CCC[N@@H+](C)C1 259058535 573261830 /nfs/dbraw/zinc/26/18/30/573261830.db2.gz GUYRLONPGVVMEH-ZJUUUORDSA-N 2 1 186.299 0.156 10 0 ACAEMP CC[N@@H+](CC[C@](C)([NH3+])CO)C(C)C 82885791 573261933 /nfs/dbraw/zinc/26/19/33/573261933.db2.gz KNYVRHCXSCLIAN-JTQLQIEISA-N 2 1 188.315 0.817 10 0 ACAEMP C[NH2+]C[C@@H](CO)[C@H]1CCC[N@@H+](C)C1 259058527 573262009 /nfs/dbraw/zinc/26/20/09/573262009.db2.gz GUYRLONPGVVMEH-UWVGGRQHSA-N 2 1 186.299 0.156 10 0 ACAEMP C[N@H+]1CC[C@H](CC[C@H]2COCC[NH2+]2)C1 259058205 573262058 /nfs/dbraw/zinc/26/20/58/573262058.db2.gz FPNBOWWXZHZTJD-QWRGUYRKSA-N 2 1 198.310 0.707 10 0 ACAEMP C[NH2+]C[C@H](CO)[C@@H]1CCC[N@@H+](C)C1 259058522 573262154 /nfs/dbraw/zinc/26/21/54/573262154.db2.gz GUYRLONPGVVMEH-NXEZZACHSA-N 2 1 186.299 0.156 10 0 ACAEMP C[C@@]1(CC[NH+]2CCCC2)[NH2+]CCO1 258614313 573262163 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MSNSSKIAYMOWPP-GHMZBOCLSA-N 2 1 198.310 0.585 10 0 ACAEMP OC[C@H]1CCCC[N@H+]1[C@@H]1CCC[NH2+]C1 74236915 573269948 /nfs/dbraw/zinc/26/99/48/573269948.db2.gz MSNSSKIAYMOWPP-GHMZBOCLSA-N 2 1 198.310 0.585 10 0 ACAEMP Nc1ccc2c[nH+]c(C3C[NH2+]C3)n2c1 258270370 573269993 /nfs/dbraw/zinc/26/99/93/573269993.db2.gz MSXKCPPMUAEOIL-UHFFFAOYSA-N 2 1 188.234 0.603 10 0 ACAEMP CC[C@H](O)C[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40750467 573270657 /nfs/dbraw/zinc/27/06/57/573270657.db2.gz KXKUCKIEIRLGGM-GYIHNLGQSA-N 2 1 198.310 0.711 10 0 ACAEMP CCc1[nH+]ccn1CCC[C@H](O)C[NH3+] 308535570 573272630 /nfs/dbraw/zinc/27/26/30/573272630.db2.gz RUNUKTOVPBIZLB-VIFPVBQESA-N 2 1 197.282 0.545 10 0 ACAEMP CC[C@@H](CN1CCC[N@@H+](C)CC1)[NH2+]C 50179131 573272484 /nfs/dbraw/zinc/27/24/84/573272484.db2.gz OQBSGCXNYCEBLC-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP CC[N@H+]1CC[C@@H]([C@@H](C[NH3+])COC)C1 257987977 573272553 /nfs/dbraw/zinc/27/25/53/573272553.db2.gz CZCLHURJCBGZMO-ZJUUUORDSA-N 2 1 186.299 0.550 10 0 ACAEMP 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393580834 573277142 /nfs/dbraw/zinc/27/71/42/573277142.db2.gz GEUXILLSWAGJQV-HTQZYQBOSA-N 2 1 188.271 0.217 10 0 ACAEMP COC(=O)C[C@H](C)[N@H+](C)C[C@H](C)[NH3+] 393580837 573277024 /nfs/dbraw/zinc/27/70/24/573277024.db2.gz GEUXILLSWAGJQV-YUMQZZPRSA-N 2 1 188.271 0.217 10 0 ACAEMP COC(=O)C[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] 393580837 573277027 /nfs/dbraw/zinc/27/70/27/573277027.db2.gz GEUXILLSWAGJQV-YUMQZZPRSA-N 2 1 188.271 0.217 10 0 ACAEMP COC(=O)C[C@@H](C)[N@H+](C)C[C@@H](C)[NH3+] 393580834 573277136 /nfs/dbraw/zinc/27/71/36/573277136.db2.gz GEUXILLSWAGJQV-HTQZYQBOSA-N 2 1 188.271 0.217 10 0 ACAEMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@H](C)[NH3+] 308536918 573278486 /nfs/dbraw/zinc/27/84/86/573278486.db2.gz MKSDMXSMRUYXGB-GARJFASQSA-N 2 1 199.342 0.796 10 0 ACAEMP C[N@H+]1CCC[C@](C[NH3+])(N2CCCC2)C1 74238744 573278538 /nfs/dbraw/zinc/27/85/38/573278538.db2.gz WYYZKRGFGJZPRX-LLVKDONJSA-N 2 1 197.326 0.505 10 0 ACAEMP C[N@@H+]1CC2CCC1(C[NH3+])CC2 238330450 573278691 /nfs/dbraw/zinc/27/86/91/573278691.db2.gz GISOIPUZIXPMOZ-UHFFFAOYSA-N 2 1 154.257 0.820 10 0 ACAEMP C[N@H+]1CC2CCC1(C[NH3+])CC2 238330450 573278701 /nfs/dbraw/zinc/27/87/01/573278701.db2.gz GISOIPUZIXPMOZ-UHFFFAOYSA-N 2 1 154.257 0.820 10 0 ACAEMP C[C@@H]1CCCC[N@H+]1C[C@](C)(O)C[NH3+] 82915298 573279044 /nfs/dbraw/zinc/27/90/44/573279044.db2.gz WJAKCSGURCKGED-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@@H](C)[NH3+] 308536920 573279606 /nfs/dbraw/zinc/27/96/06/573279606.db2.gz MKSDMXSMRUYXGB-GMTAPVOTSA-N 2 1 199.342 0.796 10 0 ACAEMP [NH3+]C[C@@]1(c2ccc(O)cc2)CCC[NH2+]1 257991230 573279800 /nfs/dbraw/zinc/27/98/00/573279800.db2.gz DOABSTJUTSYKSY-LLVKDONJSA-N 2 1 192.262 0.930 10 0 ACAEMP C[NH2+]C/C=C\CCN1CC[NH+](C)CC1 257991276 573279846 /nfs/dbraw/zinc/27/98/46/573279846.db2.gz KSECMFGHAXHLCI-ARJAWSKDSA-N 2 1 197.326 0.400 10 0 ACAEMP CC(C)[C@H]1CN2CC[N@H+](C)C[C@@H]2C[NH2+]1 74238763 573279895 /nfs/dbraw/zinc/27/98/95/573279895.db2.gz LFGLCVFGBQNAJH-WDEREUQCSA-N 2 1 197.326 0.230 10 0 ACAEMP CC(C)[C@H]1CN2CC[N@@H+](C)C[C@@H]2C[NH2+]1 74238763 573279903 /nfs/dbraw/zinc/27/99/03/573279903.db2.gz LFGLCVFGBQNAJH-WDEREUQCSA-N 2 1 197.326 0.230 10 0 ACAEMP C[NH2+][C@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 238331203 573279923 /nfs/dbraw/zinc/27/99/23/573279923.db2.gz XLLPXIPKPNQZNN-VWYCJHECSA-N 2 1 198.310 0.584 10 0 ACAEMP C[NH2+][C@H]1CCCC[C@@H]1[N@H+]1CC[C@@H](O)C1 238331203 573279928 /nfs/dbraw/zinc/27/99/28/573279928.db2.gz XLLPXIPKPNQZNN-VWYCJHECSA-N 2 1 198.310 0.584 10 0 ACAEMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H](C)[NH3+] 308536925 573280199 /nfs/dbraw/zinc/28/01/99/573280199.db2.gz MKSDMXSMRUYXGB-OUAUKWLOSA-N 2 1 199.342 0.796 10 0 ACAEMP C[C@H](C[NH3+])[C@]1(O)CC[N@H+]2CCCC[C@@H]21 123967004 573280270 /nfs/dbraw/zinc/28/02/70/573280270.db2.gz PVGFBLZNRZGDIN-GMTAPVOTSA-N 2 1 198.310 0.571 10 0 ACAEMP C[C@H]1CCc2c([nH+]cn2CC[NH3+])C1 257990687 573280421 /nfs/dbraw/zinc/28/04/21/573280421.db2.gz KOIYUMBVNPZBOG-QMMMGPOBSA-N 2 1 179.267 0.967 10 0 ACAEMP C[C@@H](C[NH3+])C(=O)[C@H]1CC[N@@H+](C)C1 259065222 573280505 /nfs/dbraw/zinc/28/05/05/573280505.db2.gz DARWTXCXWOPHRQ-YUMQZZPRSA-N 2 1 170.256 0.102 10 0 ACAEMP Cn1cnc2c1[C@@H](CC[NH3+])[N@H+](C)CC2 74245978 573280722 /nfs/dbraw/zinc/28/07/22/573280722.db2.gz XQENRRPJAKFIFN-SECBINFHSA-N 2 1 194.282 0.298 10 0 ACAEMP Cn1cnc2c1[C@@H](CC[NH3+])[N@@H+](C)CC2 74245978 573280732 /nfs/dbraw/zinc/28/07/32/573280732.db2.gz XQENRRPJAKFIFN-SECBINFHSA-N 2 1 194.282 0.298 10 0 ACAEMP CC(C)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923138 573281326 /nfs/dbraw/zinc/28/13/26/573281326.db2.gz AHEIQSFHULLWAH-VHSXEESVSA-N 2 1 168.284 0.936 10 0 ACAEMP C[NH2+]CC1=CC[N@@H+](C)C1 238324841 573291385 /nfs/dbraw/zinc/29/13/85/573291385.db2.gz LPZMSDBGMFTCDR-UHFFFAOYSA-N 2 1 126.203 0.078 10 0 ACAEMP C[C@H](C[NH3+])C(=O)[C@H]1CC[N@@H+](C)C1 259065219 573281410 /nfs/dbraw/zinc/28/14/10/573281410.db2.gz DARWTXCXWOPHRQ-SFYZADRCSA-N 2 1 170.256 0.102 10 0 ACAEMP CN(C)c1nc(N[C@H]2C[C@@H]2[NH3+])cc[nH+]1 82924353 573282163 /nfs/dbraw/zinc/28/21/63/573282163.db2.gz YJWSMSAEHMRDTN-BQBZGAKWSA-N 2 1 193.254 0.054 10 0 ACAEMP C[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C)C1 393580524 573282249 /nfs/dbraw/zinc/28/22/49/573282249.db2.gz HCTXOCJFEPKCDK-VHSXEESVSA-N 2 1 186.299 0.251 10 0 ACAEMP C[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C)C1 393580524 573282254 /nfs/dbraw/zinc/28/22/54/573282254.db2.gz HCTXOCJFEPKCDK-VHSXEESVSA-N 2 1 186.299 0.251 10 0 ACAEMP C[N@@H+]1CCc2ocnc2[C@@H]1CCC[NH3+] 74244126 573282398 /nfs/dbraw/zinc/28/23/98/573282398.db2.gz FKSNKTCIZIRRDV-QMMMGPOBSA-N 2 1 195.266 0.943 10 0 ACAEMP C[N@H+]1CCc2ocnc2[C@@H]1CCC[NH3+] 74244126 573282403 /nfs/dbraw/zinc/28/24/03/573282403.db2.gz FKSNKTCIZIRRDV-QMMMGPOBSA-N 2 1 195.266 0.943 10 0 ACAEMP COCC[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238331612 573282415 /nfs/dbraw/zinc/28/24/15/573282415.db2.gz BRABITSTNVWVQJ-OWUUHHOZSA-N 2 1 184.283 0.587 10 0 ACAEMP C[N@H+]1CCc2ncn(CCC[NH3+])c2C1 74246018 573282628 /nfs/dbraw/zinc/28/26/28/573282628.db2.gz UUWNYROANZQLFK-UHFFFAOYSA-N 2 1 194.282 0.220 10 0 ACAEMP C1C[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2[NH2+]1 82923228 573282721 /nfs/dbraw/zinc/28/27/21/573282721.db2.gz XZWYBJBLASSQET-GARJFASQSA-N 2 1 196.294 0.317 10 0 ACAEMP C1C[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2[NH2+]1 82923228 573282731 /nfs/dbraw/zinc/28/27/31/573282731.db2.gz XZWYBJBLASSQET-GARJFASQSA-N 2 1 196.294 0.317 10 0 ACAEMP C[N@H+]1CCc2ncoc2[C@@H]1CCC[NH3+] 74244117 573282810 /nfs/dbraw/zinc/28/28/10/573282810.db2.gz OGQDKYPHBRMHGP-VIFPVBQESA-N 2 1 195.266 0.943 10 0 ACAEMP Cn1cnc2c1[C@H](CC[NH3+])[N@H+](C)CC2 74245976 573282834 /nfs/dbraw/zinc/28/28/34/573282834.db2.gz XQENRRPJAKFIFN-VIFPVBQESA-N 2 1 194.282 0.298 10 0 ACAEMP Cn1cnc2c1[C@H](CC[NH3+])[N@@H+](C)CC2 74245976 573282840 /nfs/dbraw/zinc/28/28/40/573282840.db2.gz XQENRRPJAKFIFN-VIFPVBQESA-N 2 1 194.282 0.298 10 0 ACAEMP Cn1cc[nH+]c1C[C@@H](O)CC(C)(C)[NH3+] 308539710 573283550 /nfs/dbraw/zinc/28/35/50/573283550.db2.gz NMIFJSZLETXFNX-MRVPVSSYSA-N 2 1 197.282 0.451 10 0 ACAEMP C[N@H+]1CCc2c(CCC[NH3+])n[nH]c2C1 74245996 573282989 /nfs/dbraw/zinc/28/29/89/573282989.db2.gz CUBPCOMARGWUKR-UHFFFAOYSA-N 2 1 194.282 0.289 10 0 ACAEMP C[N@@H+]1CCc2c(n[nH]c2CCC[NH3+])C1 74245996 573282994 /nfs/dbraw/zinc/28/29/94/573282994.db2.gz CUBPCOMARGWUKR-UHFFFAOYSA-N 2 1 194.282 0.289 10 0 ACAEMP C[N@H+]1CCc2c(n[nH]c2CCC[NH3+])C1 74245996 573282997 /nfs/dbraw/zinc/28/29/97/573282997.db2.gz CUBPCOMARGWUKR-UHFFFAOYSA-N 2 1 194.282 0.289 10 0 ACAEMP C[NH+]1CCC([C@H](N)C(C)(C)[NH3+])CC1 259402242 573283084 /nfs/dbraw/zinc/28/30/84/573283084.db2.gz OEMGBZOESVAOAU-VIFPVBQESA-N 2 1 185.315 0.393 10 0 ACAEMP Cn1ncc2c1CC[N@H+](C)[C@@H]2CC[NH3+] 74245983 573283210 /nfs/dbraw/zinc/28/32/10/573283210.db2.gz VYNZCTCPYSCLJJ-SECBINFHSA-N 2 1 194.282 0.298 10 0 ACAEMP Cn1ncc2c1CC[N@@H+](C)[C@@H]2CC[NH3+] 74245983 573283215 /nfs/dbraw/zinc/28/32/15/573283215.db2.gz VYNZCTCPYSCLJJ-SECBINFHSA-N 2 1 194.282 0.298 10 0 ACAEMP 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/nfs/dbraw/zinc/31/60/50/573316050.db2.gz RHXHLJCJMQHVGO-QWRGUYRKSA-N 2 1 197.326 0.280 10 0 ACAEMP C[N@@H+]1CC[C@H](CC[NH2+][C@H]2CC[NH2+]C2)C1 259083812 573316055 /nfs/dbraw/zinc/31/60/55/573316055.db2.gz RHXHLJCJMQHVGO-QWRGUYRKSA-N 3 1 197.326 0.280 10 0 ACAEMP C[N@H+]1CC[C@H](CC[NH2+][C@H]2CC[NH2+]C2)C1 259083812 573316059 /nfs/dbraw/zinc/31/60/59/573316059.db2.gz RHXHLJCJMQHVGO-QWRGUYRKSA-N 3 1 197.326 0.280 10 0 ACAEMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1C=CCCC1 717351305 573316398 /nfs/dbraw/zinc/31/63/98/573316398.db2.gz DAALADVYJRINNI-QWRGUYRKSA-N 2 1 198.310 0.607 10 0 ACAEMP C[N@H+]1CC[C@@H](CCN[C@H]2CC[NH2+]C2)C1 259083807 573316468 /nfs/dbraw/zinc/31/64/68/573316468.db2.gz RHXHLJCJMQHVGO-MNOVXSKESA-N 2 1 197.326 0.280 10 0 ACAEMP C[N@@H+]1CC[C@@H](CC[NH2+][C@H]2CC[NH2+]C2)C1 259083807 573316473 /nfs/dbraw/zinc/31/64/73/573316473.db2.gz RHXHLJCJMQHVGO-MNOVXSKESA-N 3 1 197.326 0.280 10 0 ACAEMP C[N@H+]1CC[C@@H](CC[NH2+][C@H]2CC[NH2+]C2)C1 259083807 573316477 /nfs/dbraw/zinc/31/64/77/573316477.db2.gz RHXHLJCJMQHVGO-MNOVXSKESA-N 3 1 197.326 0.280 10 0 ACAEMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1C=CCCC1 717351306 573316538 /nfs/dbraw/zinc/31/65/38/573316538.db2.gz DAALADVYJRINNI-WDEREUQCSA-N 2 1 198.310 0.607 10 0 ACAEMP C[N@H+]1C[C@H](CC2CC2)[C@@H]([NH3+])C1 238350496 573316578 /nfs/dbraw/zinc/31/65/78/573316578.db2.gz SXJMZKKRVFYXSI-IUCAKERBSA-N 2 1 154.257 0.675 10 0 ACAEMP C[N@@H+]1C[C@H](CC2CC2)[C@@H]([NH3+])C1 238350496 573316584 /nfs/dbraw/zinc/31/65/84/573316584.db2.gz SXJMZKKRVFYXSI-IUCAKERBSA-N 2 1 154.257 0.675 10 0 ACAEMP C[NH2+][C@H](CO)[C@H]1CCCC[N@@H+](C)C1 215146340 573316634 /nfs/dbraw/zinc/31/66/34/573316634.db2.gz SXHGQZKFJPJOCD-VHSXEESVSA-N 2 1 186.299 0.299 10 0 ACAEMP C[NH2+][C@H](CO)[C@H]1CCC[N@@H+](C)CC1 215146791 573316738 /nfs/dbraw/zinc/31/67/38/573316738.db2.gz YZCMNJLFPGHQIY-VHSXEESVSA-N 2 1 186.299 0.299 10 0 ACAEMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1C=CCCC1 717351304 573316785 /nfs/dbraw/zinc/31/67/85/573316785.db2.gz DAALADVYJRINNI-MNOVXSKESA-N 2 1 198.310 0.607 10 0 ACAEMP C[NH2+][C@H](CO)[C@@H]1CCC[N@@H+](C)CC1 215146698 573316825 /nfs/dbraw/zinc/31/68/25/573316825.db2.gz YZCMNJLFPGHQIY-NXEZZACHSA-N 2 1 186.299 0.299 10 0 ACAEMP CCC[C@@H]1CN2CC[N@H+](C)C[C@@H]2CN1 258492154 573317199 /nfs/dbraw/zinc/31/71/99/573317199.db2.gz BGTZJJVRLWLOFW-MNOVXSKESA-N 2 1 197.326 0.374 10 0 ACAEMP CCC[C@@H]1CN2CC[N@@H+](C)C[C@@H]2CN1 258492154 573317205 /nfs/dbraw/zinc/31/72/05/573317205.db2.gz BGTZJJVRLWLOFW-MNOVXSKESA-N 2 1 197.326 0.374 10 0 ACAEMP C[N@H+]1CCC[C@H](C[C@@H](O)C[NH3+])C1 238350946 573317366 /nfs/dbraw/zinc/31/73/66/573317366.db2.gz JWWOJJTYPDHABN-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP Cc1[nH+]cn(CCC[C@@H](O)C[NH3+])c1C 308552124 573317595 /nfs/dbraw/zinc/31/75/95/573317595.db2.gz XYBBZRGXMOOCGG-SNVBAGLBSA-N 2 1 197.282 0.600 10 0 ACAEMP Cc1[nH+]cn(CCC[C@H](O)C[NH3+])c1C 308552122 573317842 /nfs/dbraw/zinc/31/78/42/573317842.db2.gz XYBBZRGXMOOCGG-JTQLQIEISA-N 2 1 197.282 0.600 10 0 ACAEMP C[NH2+][C@@H](CO)[C@@H]1CCCC[N@@H+](C)C1 215146201 573317949 /nfs/dbraw/zinc/31/79/49/573317949.db2.gz SXHGQZKFJPJOCD-ZJUUUORDSA-N 2 1 186.299 0.299 10 0 ACAEMP C[NH2+][C@@H](CO)[C@@H]1CCC[N@@H+](C)CC1 215146649 573317988 /nfs/dbraw/zinc/31/79/88/573317988.db2.gz YZCMNJLFPGHQIY-ZJUUUORDSA-N 2 1 186.299 0.299 10 0 ACAEMP C[N@H+]1CC[C@H](CCN[C@@H]2CC[NH2+]C2)C1 259083816 573318029 /nfs/dbraw/zinc/31/80/29/573318029.db2.gz RHXHLJCJMQHVGO-WDEREUQCSA-N 2 1 197.326 0.280 10 0 ACAEMP C[N@@H+]1CC[C@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 259083816 573318035 /nfs/dbraw/zinc/31/80/35/573318035.db2.gz RHXHLJCJMQHVGO-WDEREUQCSA-N 3 1 197.326 0.280 10 0 ACAEMP C[N@H+]1CC[C@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 259083816 573318038 /nfs/dbraw/zinc/31/80/38/573318038.db2.gz RHXHLJCJMQHVGO-WDEREUQCSA-N 3 1 197.326 0.280 10 0 ACAEMP CCC[C@H]1CN2CC[N@H+](C)C[C@@H]2CN1 258492156 573318089 /nfs/dbraw/zinc/31/80/89/573318089.db2.gz BGTZJJVRLWLOFW-QWRGUYRKSA-N 2 1 197.326 0.374 10 0 ACAEMP CCC[C@H]1CN2CC[N@@H+](C)C[C@@H]2CN1 258492156 573318094 /nfs/dbraw/zinc/31/80/94/573318094.db2.gz BGTZJJVRLWLOFW-QWRGUYRKSA-N 2 1 197.326 0.374 10 0 ACAEMP CCC[C@@H]1CN2CC[N@H+](C)C[C@H]2CN1 258492151 573318178 /nfs/dbraw/zinc/31/81/78/573318178.db2.gz BGTZJJVRLWLOFW-GHMZBOCLSA-N 2 1 197.326 0.374 10 0 ACAEMP CCC[C@@H]1CN2CC[N@@H+](C)C[C@H]2CN1 258492151 573318181 /nfs/dbraw/zinc/31/81/81/573318181.db2.gz BGTZJJVRLWLOFW-GHMZBOCLSA-N 2 1 197.326 0.374 10 0 ACAEMP CCC[C@H]1CN2CC[N@H+](C)C[C@H]2CN1 258492159 573318257 /nfs/dbraw/zinc/31/82/57/573318257.db2.gz BGTZJJVRLWLOFW-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP CCC[C@H]1CN2CC[N@@H+](C)C[C@H]2CN1 258492159 573318261 /nfs/dbraw/zinc/31/82/61/573318261.db2.gz BGTZJJVRLWLOFW-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H](O)CC[NH3+])C1 238351543 573318825 /nfs/dbraw/zinc/31/88/25/573318825.db2.gz WWJYCVDFAQLXOX-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP CCC[C@@H](C[NH3+])[NH2+]CCc1cc[nH]n1 308551737 573318442 /nfs/dbraw/zinc/31/84/42/573318442.db2.gz SFCTZSNGMBJGTJ-JTQLQIEISA-N 2 1 196.298 0.669 10 0 ACAEMP Cn1nc([C@@H]2CCC[N@@H+]2C)cc1C[NH3+] 259416632 573318638 /nfs/dbraw/zinc/31/86/38/573318638.db2.gz YDYAYRJJUVTOJL-JTQLQIEISA-N 2 1 194.282 0.646 10 0 ACAEMP Cn1nc([C@@H]2CCC[N@H+]2C)cc1C[NH3+] 259416632 573318644 /nfs/dbraw/zinc/31/86/44/573318644.db2.gz YDYAYRJJUVTOJL-JTQLQIEISA-N 2 1 194.282 0.646 10 0 ACAEMP COCCC[NH2+][C@@H]1C[NH2+]C(C)(C)C1 258627357 573318754 /nfs/dbraw/zinc/31/87/54/573318754.db2.gz CPOYHMSYCNKWLY-VIFPVBQESA-N 2 1 186.299 0.753 10 0 ACAEMP C[NH2+][C@@H](CO)[C@H]1CCCC[N@@H+](C)C1 215146296 573318757 /nfs/dbraw/zinc/31/87/57/573318757.db2.gz SXHGQZKFJPJOCD-UWVGGRQHSA-N 2 1 186.299 0.299 10 0 ACAEMP C[NH2+]C1(C[NH2+][C@]2(C)CCOC2)CCC1 308551055 573319102 /nfs/dbraw/zinc/31/91/02/573319102.db2.gz XLPNRVZWNJSTBS-SNVBAGLBSA-N 2 1 198.310 0.897 10 0 ACAEMP [NH3+]C[C@@]1(C2CCC2)CCC[NH2+]1 258628596 573319126 /nfs/dbraw/zinc/31/91/26/573319126.db2.gz JPDUZNFJPPCJCP-SECBINFHSA-N 2 1 154.257 0.867 10 0 ACAEMP C[NH+]1CCC([N@H+]2CC[C@@H](CO)C2)CC1 82949439 573320680 /nfs/dbraw/zinc/32/06/80/573320680.db2.gz QCGRMLWGWFETLW-SNVBAGLBSA-N 2 1 198.310 0.395 10 0 ACAEMP [NH3+]C[C@H](C[NH+]1CCOCC1)C1CC1 258258310 573319471 /nfs/dbraw/zinc/31/94/71/573319471.db2.gz MGFXDQWGESVWMK-SNVBAGLBSA-N 2 1 184.283 0.304 10 0 ACAEMP C[C@H](OCC[N@@H+](C)CC1CC1)C(N)=[NH2+] 308553619 573321586 /nfs/dbraw/zinc/32/15/86/573321586.db2.gz RCTBAFVDQVDRGH-QMMMGPOBSA-N 2 1 199.298 0.669 10 0 ACAEMP C[NH2+][C@H](CO)[C@@H]1CCCC[N@@H+](C)C1 215146250 573319916 /nfs/dbraw/zinc/31/99/16/573319916.db2.gz SXHGQZKFJPJOCD-NXEZZACHSA-N 2 1 186.299 0.299 10 0 ACAEMP C/C=C/C[NH2+]C1CC[NH+](CCO)CC1 308552370 573319979 /nfs/dbraw/zinc/31/99/79/573319979.db2.gz YAUGBHLWMIRAPH-NSCUHMNNSA-N 2 1 198.310 0.609 10 0 ACAEMP CCCC[N@@H+]1CCOC[C@@H]1CC[NH3+] 259416608 573320217 /nfs/dbraw/zinc/32/02/17/573320217.db2.gz SQHNNYOTRPTDEO-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP CCCC[N@H+]1CCOC[C@@H]1CC[NH3+] 259416608 573320221 /nfs/dbraw/zinc/32/02/21/573320221.db2.gz SQHNNYOTRPTDEO-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H]2C[NH2+]C[C@H]2F)C1 259606615 573320260 /nfs/dbraw/zinc/32/02/60/573320260.db2.gz DIIFTRGGULNDSC-IVZWLZJFSA-N 2 1 186.274 0.886 10 0 ACAEMP C[NH2+][C@@H](CO)[C@H]1CCC[N@@H+](C)CC1 215146746 573320321 /nfs/dbraw/zinc/32/03/21/573320321.db2.gz YZCMNJLFPGHQIY-UWVGGRQHSA-N 2 1 186.299 0.299 10 0 ACAEMP C[NH2+]C1(C[NH2+][C@@]2(C)CCOC2)CCC1 308551054 573320417 /nfs/dbraw/zinc/32/04/17/573320417.db2.gz XLPNRVZWNJSTBS-JTQLQIEISA-N 2 1 198.310 0.897 10 0 ACAEMP C[N@H+]1[C@H]2CC[C@@H]1C[C@H](C[NH3+])C2 238342229 573320441 /nfs/dbraw/zinc/32/04/41/573320441.db2.gz JDLGJYZMVRWAQA-AYMMMOKOSA-N 2 1 154.257 0.818 10 0 ACAEMP C[NH+]1CCC([N@@H+]2CC[C@H](CO)C2)CC1 82949436 573320484 /nfs/dbraw/zinc/32/04/84/573320484.db2.gz QCGRMLWGWFETLW-JTQLQIEISA-N 2 1 198.310 0.395 10 0 ACAEMP C[NH+]1CCC([N@H+]2CC[C@H](CO)C2)CC1 82949436 573320488 /nfs/dbraw/zinc/32/04/88/573320488.db2.gz QCGRMLWGWFETLW-JTQLQIEISA-N 2 1 198.310 0.395 10 0 ACAEMP [NH3+]C[C@]1(C2CCC2)CCC[NH2+]1 258628598 573320642 /nfs/dbraw/zinc/32/06/42/573320642.db2.gz JPDUZNFJPPCJCP-VIFPVBQESA-N 2 1 154.257 0.867 10 0 ACAEMP CC(C)(O)CC[N@@H+]1CC[C@@H]([NH3+])C1 86236979 573320660 /nfs/dbraw/zinc/32/06/60/573320660.db2.gz JNEQKGUQQFIDMP-MRVPVSSYSA-N 2 1 172.272 0.180 10 0 ACAEMP CC(C)(O)CC[N@H+]1CC[C@@H]([NH3+])C1 86236979 573320664 /nfs/dbraw/zinc/32/06/64/573320664.db2.gz JNEQKGUQQFIDMP-MRVPVSSYSA-N 2 1 172.272 0.180 10 0 ACAEMP C[NH+]1CCC([N@@H+]2CC[C@@H](CO)C2)CC1 82949439 573320673 /nfs/dbraw/zinc/32/06/73/573320673.db2.gz QCGRMLWGWFETLW-SNVBAGLBSA-N 2 1 198.310 0.395 10 0 ACAEMP C[C@@H](OCC[N@@H+](C)CC1CC1)C(N)=[NH2+] 308553618 573321136 /nfs/dbraw/zinc/32/11/36/573321136.db2.gz RCTBAFVDQVDRGH-MRVPVSSYSA-N 2 1 199.298 0.669 10 0 ACAEMP CC[C@H](C)N(CC[NH3+])c1[nH+]ccn1C 308553528 573321264 /nfs/dbraw/zinc/32/12/64/573321264.db2.gz 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186.299 0.474 10 0 ACAEMP CNC[C@@H]([NH2+]C)C1CC[NH+](C)CC1 259427458 573364997 /nfs/dbraw/zinc/36/49/97/573364997.db2.gz MYVUUAFLOYFDCL-SNVBAGLBSA-N 2 1 185.315 0.136 10 0 ACAEMP C[N@H+]1CCC[C@H]1N1CCC[NH2+]CC1 258315613 573365075 /nfs/dbraw/zinc/36/50/75/573365075.db2.gz XGMSAJTWBFLXRA-SNVBAGLBSA-N 2 1 183.299 0.333 10 0 ACAEMP [NH3+][C@H]1CC[NH2+][C@H](c2cccnc2)C1 107126045 573365227 /nfs/dbraw/zinc/36/52/27/573365227.db2.gz PKKDJJNVEVZLSE-UWVGGRQHSA-N 2 1 177.251 0.833 10 0 ACAEMP C[C@H](O)[C@@H](C[NH3+])[C@@H]1CCC[N@@H+](C)C1 107132161 573367831 /nfs/dbraw/zinc/36/78/31/573367831.db2.gz OLBUOOIGRCQYNH-IVZWLZJFSA-N 2 1 186.299 0.284 10 0 ACAEMP C[C@H]([NH+]1CCOCC1)C(C)(C)C[NH3+] 259610112 573366924 /nfs/dbraw/zinc/36/69/24/573366924.db2.gz DQHDTTXFVVEEOX-VIFPVBQESA-N 2 1 186.299 0.692 10 0 ACAEMP C[NH2+]C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126130281 573367056 /nfs/dbraw/zinc/36/70/56/573367056.db2.gz BZSWSFHZPOJULW-AXFHLTTASA-N 2 1 198.310 0.299 10 0 ACAEMP 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QJVFIIMSTJDHGS-SSDOTTSWSA-N 2 1 151.213 0.404 10 0 ACAEMP C[C@@H](C[NH3+])CNC[C@@H]1CCCC[N@H+]1C 308567141 573385079 /nfs/dbraw/zinc/38/50/79/573385079.db2.gz IGMSVYVODJIDOJ-QWRGUYRKSA-N 2 1 199.342 0.655 10 0 ACAEMP C[C@@H](C[NH3+])C[NH2+]C[C@@H]1CCCCN1C 308567141 573385084 /nfs/dbraw/zinc/38/50/84/573385084.db2.gz IGMSVYVODJIDOJ-QWRGUYRKSA-N 2 1 199.342 0.655 10 0 ACAEMP C[C@H](C[NH3+])CNC[C@H]1CCCC[N@H+]1C 308567139 573385113 /nfs/dbraw/zinc/38/51/13/573385113.db2.gz IGMSVYVODJIDOJ-GHMZBOCLSA-N 2 1 199.342 0.655 10 0 ACAEMP C[C@H](C[NH3+])C[NH2+]C[C@H]1CCCCN1C 308567139 573385118 /nfs/dbraw/zinc/38/51/18/573385118.db2.gz IGMSVYVODJIDOJ-GHMZBOCLSA-N 2 1 199.342 0.655 10 0 ACAEMP C[N@H+]1CCC[C@@]2(C[C@@H]2C[NH3+])C1 107158216 573385141 /nfs/dbraw/zinc/38/51/41/573385141.db2.gz BFXOLKAOYWGNDX-RKDXNWHRSA-N 2 1 154.257 0.677 10 0 ACAEMP [NH3+]C[C@@H]1CCc2c[nH+]cn2C1 107157568 573386600 /nfs/dbraw/zinc/38/66/00/573386600.db2.gz QJVFIIMSTJDHGS-ZETCQYMHSA-N 2 1 151.213 0.404 10 0 ACAEMP C[N@H+]1CCC[C@H](C[C@H]2[NH2+]CCO2)C1 258019873 573386687 /nfs/dbraw/zinc/38/66/87/573386687.db2.gz BXDDDUGKHSNBIA-ZJUUUORDSA-N 2 1 184.283 0.664 10 0 ACAEMP C[N@H+](CC(C)(C)[NH3+])[C@H]1CCCOC1 401337615 573386866 /nfs/dbraw/zinc/38/68/66/573386866.db2.gz AHQVQMBIVJELHD-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@@H+](CC(C)(C)[NH3+])[C@H]1CCCOC1 401337615 573386868 /nfs/dbraw/zinc/38/68/68/573386868.db2.gz AHQVQMBIVJELHD-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@H](C[NH+](C)C)NCC[NH+](C)C 118236883 573387340 /nfs/dbraw/zinc/38/73/40/573387340.db2.gz TZIOVGORNHQMOO-SECBINFHSA-N 2 1 173.304 0.088 10 0 ACAEMP C[C@@H](O)[C@H]([NH3+])C[NH2+]C1CCCCC1 129808157 573387665 /nfs/dbraw/zinc/38/76/65/573387665.db2.gz DMBKEXZUVJEVSJ-PSASIEDQSA-N 2 1 186.299 0.617 10 0 ACAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@](C)(O)C[NH3+] 223281590 573387717 /nfs/dbraw/zinc/38/77/17/573387717.db2.gz GFCLDFQBEXSNRV-BBBLOLIVSA-N 2 1 186.299 0.284 10 0 ACAEMP COc1cc(C)cc([C@H]([NH3+])CN)c1 238376348 573387741 /nfs/dbraw/zinc/38/77/41/573387741.db2.gz AQJKCUNTPYIALY-SNVBAGLBSA-N 2 1 180.251 0.962 10 0 ACAEMP C[C@H]1OCC[C@@H]1[N@@H+](C)CCC[NH3+] 133276990 573388032 /nfs/dbraw/zinc/38/80/32/573388032.db2.gz BKGHRSVCWCTADF-BDAKNGLRSA-N 2 1 172.272 0.444 10 0 ACAEMP C[C@H](O)[C@H]([NH3+])C[NH2+]C1CCCC1 129806203 573388331 /nfs/dbraw/zinc/38/83/31/573388331.db2.gz GNRPRVXDDNTYCF-IONNQARKSA-N 2 1 172.272 0.227 10 0 ACAEMP C[C@H]1OCC[C@H]1[N@@H+](C)CCC[NH3+] 133276576 573389522 /nfs/dbraw/zinc/38/95/22/573389522.db2.gz BKGHRSVCWCTADF-RKDXNWHRSA-N 2 1 172.272 0.444 10 0 ACAEMP C[C@@H]1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C)C1 83086788 573389652 /nfs/dbraw/zinc/38/96/52/573389652.db2.gz CAVSQCPGBKHEJR-GHMZBOCLSA-N 2 1 197.326 0.374 10 0 ACAEMP Cc1[nH+]cn2c1C[C@@H](C[NH3+])CC2 107160826 573389662 /nfs/dbraw/zinc/38/96/62/573389662.db2.gz GVIFKHASWANBBM-QMMMGPOBSA-N 2 1 165.240 0.713 10 0 ACAEMP C[C@@H]1CN([C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 83061861 573389693 /nfs/dbraw/zinc/38/96/93/573389693.db2.gz GPKHGKAUWUCWLI-GHMZBOCLSA-N 2 1 197.326 0.374 10 0 ACAEMP C[C@H](O)[C@@H]([NH3+])C[NH2+]C1CCCC1 129806643 573389823 /nfs/dbraw/zinc/38/98/23/573389823.db2.gz GNRPRVXDDNTYCF-CBAPKCEASA-N 2 1 172.272 0.227 10 0 ACAEMP C[C@@H](O)[C@@H]([NH3+])C[NH2+]C1CCCCC1 129808556 573389904 /nfs/dbraw/zinc/38/99/04/573389904.db2.gz DMBKEXZUVJEVSJ-SCZZXKLOSA-N 2 1 186.299 0.617 10 0 ACAEMP C[C@@H](O)[C@H]([NH3+])C[NH2+]C1CCCC1 129806429 573391540 /nfs/dbraw/zinc/39/15/40/573391540.db2.gz GNRPRVXDDNTYCF-VXNVDRBHSA-N 2 1 172.272 0.227 10 0 ACAEMP C[C@H](O)[C@H]([NH3+])C[NH2+]C1CCCCC1 129807932 573390845 /nfs/dbraw/zinc/39/08/45/573390845.db2.gz DMBKEXZUVJEVSJ-WCBMZHEXSA-N 2 1 186.299 0.617 10 0 ACAEMP C[C@H]1CN([C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 83061862 573391128 /nfs/dbraw/zinc/39/11/28/573391128.db2.gz GPKHGKAUWUCWLI-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP C[C@H]1C[NH2+]CCN1C[C@@H]1CC[N@@H+](C)C1 83086757 573392132 /nfs/dbraw/zinc/39/21/32/573392132.db2.gz PPNQXFBAILNUDY-WDEREUQCSA-N 2 1 197.326 0.232 10 0 ACAEMP C[C@H]1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C)C1 83086789 573391606 /nfs/dbraw/zinc/39/16/06/573391606.db2.gz CAVSQCPGBKHEJR-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP CC[NH+](CC)[C@H]1CC[NH2+][C@H](CO)C1 215187561 573392151 /nfs/dbraw/zinc/39/21/51/573392151.db2.gz FYURERRRWYJOTA-UWVGGRQHSA-N 2 1 186.299 0.441 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 690183546 573392997 /nfs/dbraw/zinc/39/29/97/573392997.db2.gz ZFUNOXGTTYQMJS-XKSSXDPKSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)C[C@H](O)C1CC1 690183546 573392999 /nfs/dbraw/zinc/39/29/99/573392999.db2.gz ZFUNOXGTTYQMJS-XKSSXDPKSA-N 2 1 186.299 0.425 10 0 ACAEMP C[NH2+][C@H](OC)[C@H]1CCC[N@H+](C)C1 259438287 573393074 /nfs/dbraw/zinc/39/30/74/573393074.db2.gz ZQDMHYYKHRSDNW-DTWKUNHWSA-N 2 1 172.272 0.520 10 0 ACAEMP C[NH2+][C@H](OC)[C@H]1CCC[N@@H+](C)C1 259438287 573393078 /nfs/dbraw/zinc/39/30/78/573393078.db2.gz ZQDMHYYKHRSDNW-DTWKUNHWSA-N 2 1 172.272 0.520 10 0 ACAEMP COC[C@H]([NH3+])C[NH2+]C[C@H](C)C1CC1 133245052 573393096 /nfs/dbraw/zinc/39/30/96/573393096.db2.gz JSUTXKFVCQIINF-WCBMZHEXSA-N 2 1 186.299 0.596 10 0 ACAEMP C[N@@H+](CCC[NH3+])C(C)(C)CO 133333107 573393185 /nfs/dbraw/zinc/39/31/85/573393185.db2.gz RBXNYXRMKOVUMP-UHFFFAOYSA-N 2 1 160.261 0.038 10 0 ACAEMP C[NH2+][C@H](C)[C@@H](C)N(C)[C@@H]1CC[N@@H+](C)C1 308570632 573393271 /nfs/dbraw/zinc/39/32/71/573393271.db2.gz KCDMBQLMOYRETJ-GMTAPVOTSA-N 2 1 199.342 0.619 10 0 ACAEMP CC[NH+](CC)[C@@H]1CC[NH2+][C@@H](CO)C1 215187606 573393287 /nfs/dbraw/zinc/39/32/87/573393287.db2.gz FYURERRRWYJOTA-NXEZZACHSA-N 2 1 186.299 0.441 10 0 ACAEMP C[C@H]1C[N@H+](C)CCN1C[C@@H](C)C(N)=[NH2+] 235587410 573393319 /nfs/dbraw/zinc/39/33/19/573393319.db2.gz WGDXZIQFADKMMN-BDAKNGLRSA-N 2 1 198.314 0.194 10 0 ACAEMP C[C@H]1CN(C)CC[N@@H+]1C[C@@H](C)C(N)=[NH2+] 235587410 573393334 /nfs/dbraw/zinc/39/33/34/573393334.db2.gz WGDXZIQFADKMMN-BDAKNGLRSA-N 2 1 198.314 0.194 10 0 ACAEMP NC(=[NH2+])CCC[N@H+]1CCC[C@H]1CCO 308569916 573393449 /nfs/dbraw/zinc/39/34/49/573393449.db2.gz DKRLWOPVGQINQH-VIFPVBQESA-N 2 1 199.298 0.549 10 0 ACAEMP CCn1cc[nH+]c1C[C@H](O)[C@@H](C)C[NH3+] 308569687 573393485 /nfs/dbraw/zinc/39/34/85/573393485.db2.gz JNSJQHPQKLQINP-IUCAKERBSA-N 2 1 197.282 0.401 10 0 ACAEMP NC(=[NH2+])CCC[N@H+]1CCC[C@@H]1CCO 308569915 573394365 /nfs/dbraw/zinc/39/43/65/573394365.db2.gz DKRLWOPVGQINQH-SECBINFHSA-N 2 1 199.298 0.549 10 0 ACAEMP CCn1cc[nH+]c1C[C@@H](O)[C@@H](C)C[NH3+] 308569686 573394415 /nfs/dbraw/zinc/39/44/15/573394415.db2.gz JNSJQHPQKLQINP-DTWKUNHWSA-N 2 1 197.282 0.401 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)CN(C)[C@@H]1CC[N@@H+](C)C1 308570136 573394616 /nfs/dbraw/zinc/39/46/16/573394616.db2.gz JTDBWPYMQWVEQN-OUAUKWLOSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)C[N@H+](C)[C@@H]1CCN(C)C1 308570136 573394617 /nfs/dbraw/zinc/39/46/17/573394617.db2.gz JTDBWPYMQWVEQN-OUAUKWLOSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1 308570136 573394620 /nfs/dbraw/zinc/39/46/20/573394620.db2.gz JTDBWPYMQWVEQN-OUAUKWLOSA-N 2 1 199.342 0.606 10 0 ACAEMP CCn1cc[nH+]c1C[C@@H](O)[C@H](C)C[NH3+] 308569689 573394837 /nfs/dbraw/zinc/39/48/37/573394837.db2.gz JNSJQHPQKLQINP-RKDXNWHRSA-N 2 1 197.282 0.401 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@H+](C)C[C@@H](O)C1CC1 690183543 573394875 /nfs/dbraw/zinc/39/48/75/573394875.db2.gz ZFUNOXGTTYQMJS-OYNCUSHFSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CCC[NH2+]1 83093367 573394876 /nfs/dbraw/zinc/39/48/76/573394876.db2.gz GAGZSEZXBHCMRZ-GHMZBOCLSA-N 2 1 198.310 0.849 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@@H+](C)C[C@@H](O)C1CC1 690183543 573394882 /nfs/dbraw/zinc/39/48/82/573394882.db2.gz ZFUNOXGTTYQMJS-OYNCUSHFSA-N 2 1 186.299 0.425 10 0 ACAEMP CCn1cc[nH+]c1C[C@H](O)[C@H](C)C[NH3+] 308569685 573394997 /nfs/dbraw/zinc/39/49/97/573394997.db2.gz JNSJQHPQKLQINP-BDAKNGLRSA-N 2 1 197.282 0.401 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@](C)([NH3+])CCCO)C1 259095217 573401055 /nfs/dbraw/zinc/40/10/55/573401055.db2.gz CBJQJGLDDSIIFG-NXEZZACHSA-N 2 1 186.299 0.428 10 0 ACAEMP C1C[NH2+][C@@H](CC[NH+]2CCCC2)OC1 258343424 573401101 /nfs/dbraw/zinc/40/11/01/573401101.db2.gz FGWJDPIKCGECIK-SNVBAGLBSA-N 2 1 184.283 0.808 10 0 ACAEMP CNc1cc(N[C@@H]2CC[NH2+]C2)nc[nH+]1 258643002 573400770 /nfs/dbraw/zinc/40/07/70/573400770.db2.gz LYCNBSTXUCWFDN-SSDOTTSWSA-N 2 1 193.254 0.292 10 0 ACAEMP C[NH2+]CCC[C@H]([NH3+])[C@H]1CC[N@@H+](C)C1 259439966 573400792 /nfs/dbraw/zinc/40/07/92/573400792.db2.gz PWOBWLUSDVDLFV-UWVGGRQHSA-N 3 1 185.315 0.265 10 0 ACAEMP CNc1cc(N[C@H]2CC[NH2+]C2)nc[nH+]1 258643004 573400902 /nfs/dbraw/zinc/40/09/02/573400902.db2.gz LYCNBSTXUCWFDN-ZETCQYMHSA-N 2 1 193.254 0.292 10 0 ACAEMP CCCCC[NH2+]C[C@@H]([NH3+])CO 259094861 573400925 /nfs/dbraw/zinc/40/09/25/573400925.db2.gz ZGKUCYBLUWIBNU-MRVPVSSYSA-N 2 1 160.261 0.086 10 0 ACAEMP C1=C[NH2+][C@@H]2OC3=C(C[NH2+]CC3)C2=C1 118403585 573402636 /nfs/dbraw/zinc/40/26/36/573402636.db2.gz XEDBBRRKBURZKH-SNVBAGLBSA-N 2 1 176.219 0.633 10 0 ACAEMP C[NH2+]CCC[C@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259439969 573401929 /nfs/dbraw/zinc/40/19/29/573401929.db2.gz PWOBWLUSDVDLFV-ZJUUUORDSA-N 3 1 185.315 0.265 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@]2(C)C[NH2+]CCN2)C1 259096145 573402677 /nfs/dbraw/zinc/40/26/77/573402677.db2.gz PQWBXBAQJFUAIY-WDEREUQCSA-N 2 1 197.326 0.280 10 0 ACAEMP C[C@@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238387345 573402053 /nfs/dbraw/zinc/40/20/53/573402053.db2.gz SSYKFVMMELQRAZ-DOLQZWNJSA-N 2 1 184.283 0.321 10 0 ACAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCCO2)C1 248084311 573402594 /nfs/dbraw/zinc/40/25/94/573402594.db2.gz DHRSEFHEMFDQFZ-GHMZBOCLSA-N 2 1 198.310 0.707 10 0 ACAEMP [NH3+]C[C@]1(C2CCOCC2)CCCC[NH2+]1 258493902 573402342 /nfs/dbraw/zinc/40/23/42/573402342.db2.gz AODRQRQMPZFFDW-NSHDSACASA-N 2 1 198.310 0.884 10 0 ACAEMP COCC1(C[N@@H+]2CC[C@@H]([NH3+])C2)CCC1 308572303 573402396 /nfs/dbraw/zinc/40/23/96/573402396.db2.gz KYJXPBFTFMXXGJ-SNVBAGLBSA-N 2 1 198.310 0.836 10 0 ACAEMP COCC1(C[N@H+]2CC[C@@H]([NH3+])C2)CCC1 308572303 573402402 /nfs/dbraw/zinc/40/24/02/573402402.db2.gz KYJXPBFTFMXXGJ-SNVBAGLBSA-N 2 1 198.310 0.836 10 0 ACAEMP CC1=C[C@H](C)C[N@H+](CC[NH3+])C1 238389890 573404817 /nfs/dbraw/zinc/40/48/17/573404817.db2.gz LBJANDGGURXTNR-QMMMGPOBSA-N 2 1 154.257 0.843 10 0 ACAEMP C[N@H+]1CCC[C@H](C(=O)CCC[NH3+])C1 259095991 573403238 /nfs/dbraw/zinc/40/32/38/573403238.db2.gz GTWJEITXEZREEL-VIFPVBQESA-N 2 1 184.283 0.636 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@]2(C)C[NH2+]CCN2)C1 259096136 573403064 /nfs/dbraw/zinc/40/30/64/573403064.db2.gz PQWBXBAQJFUAIY-GHMZBOCLSA-N 2 1 197.326 0.280 10 0 ACAEMP CC[NH+]1CC(n2nccc2[C@@H](C)[NH3+])C1 257810539 573403397 /nfs/dbraw/zinc/40/33/97/573403397.db2.gz ALFMKVQOYQXNAR-MRVPVSSYSA-N 2 1 194.282 0.779 10 0 ACAEMP C[NH2+]C/C=C1\CCC[N@@H+](C)C1 259440053 573403286 /nfs/dbraw/zinc/40/32/86/573403286.db2.gz USGCAAIQOBZSGT-WEVVVXLNSA-N 2 1 154.257 0.858 10 0 ACAEMP C[C@H](CN[C@@H]1CC[N@@H+](C)C1)C[NH+](C)C 308576222 573403365 /nfs/dbraw/zinc/40/33/65/573403365.db2.gz MTXQMZJJSWVKLC-GHMZBOCLSA-N 2 1 199.342 0.478 10 0 ACAEMP C[C@H](C[NH2+][C@@H]1CCN(C)C1)C[NH+](C)C 308576222 573403368 /nfs/dbraw/zinc/40/33/68/573403368.db2.gz MTXQMZJJSWVKLC-GHMZBOCLSA-N 2 1 199.342 0.478 10 0 ACAEMP C[NH2+]CCC[C@@H]([NH3+])[C@H]1CC[N@@H+](C)C1 259439967 573403640 /nfs/dbraw/zinc/40/36/40/573403640.db2.gz PWOBWLUSDVDLFV-VHSXEESVSA-N 3 1 185.315 0.265 10 0 ACAEMP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ncc[nH]2)C1 86400929 573403915 /nfs/dbraw/zinc/40/39/15/573403915.db2.gz SGPKHOYAUJYMOE-YUMQZZPRSA-N 2 1 180.255 0.379 10 0 ACAEMP C[C@@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238387330 573403938 /nfs/dbraw/zinc/40/39/38/573403938.db2.gz SSYKFVMMELQRAZ-KYXWUPHJSA-N 2 1 184.283 0.321 10 0 ACAEMP C1=C[NH2+][C@H]2OC3=C(C[NH2+]CC3)C2=C1 118403586 573403945 /nfs/dbraw/zinc/40/39/45/573403945.db2.gz XEDBBRRKBURZKH-JTQLQIEISA-N 2 1 176.219 0.633 10 0 ACAEMP CC1=C[C@H](C)C[N@@H+](CC[NH3+])C1 238389890 573404821 /nfs/dbraw/zinc/40/48/21/573404821.db2.gz LBJANDGGURXTNR-QMMMGPOBSA-N 2 1 154.257 0.843 10 0 ACAEMP C[N@H+]1CC[C@H](CN[C@@H]2CC[C@H]([NH3+])C2)C1 86399184 573404741 /nfs/dbraw/zinc/40/47/41/573404741.db2.gz YRGCAAZTXNOJRP-OUAUKWLOSA-N 3 1 197.326 0.408 10 0 ACAEMP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]([NH3+])C2)C1 86399184 573404746 /nfs/dbraw/zinc/40/47/46/573404746.db2.gz YRGCAAZTXNOJRP-OUAUKWLOSA-N 3 1 197.326 0.408 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@]2(C)C[NH2+]CCN2)C1 259096143 573404748 /nfs/dbraw/zinc/40/47/48/573404748.db2.gz PQWBXBAQJFUAIY-QWRGUYRKSA-N 2 1 197.326 0.280 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]([NH3+])C2)C1 86399184 573404750 /nfs/dbraw/zinc/40/47/50/573404750.db2.gz YRGCAAZTXNOJRP-OUAUKWLOSA-N 3 1 197.326 0.408 10 0 ACAEMP C[N@@H+](C/C=C/C[NH3+])[C@@H]1CCOC1 133519109 573407731 /nfs/dbraw/zinc/40/77/31/573407731.db2.gz ZSJGSIDLJOGVOL-GKQMSVHHSA-N 2 1 170.256 0.222 10 0 ACAEMP 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/nfs/dbraw/zinc/40/73/23/573407323.db2.gz ZAKHXVQDUDCMHQ-UHFFFAOYSA-N 2 1 165.240 0.980 10 0 ACAEMP C[C@@H]1CN(c2[nH+]ccn2C)[C@H](C)C[NH2+]1 83119028 573407357 /nfs/dbraw/zinc/40/73/57/573407357.db2.gz HNLRZBKKHQVBQL-RKDXNWHRSA-N 2 1 194.282 0.607 10 0 ACAEMP Cc1cc(C[NH2+][C@H]2CC[C@@H]([NH3+])C2)on1 86400086 573407358 /nfs/dbraw/zinc/40/73/58/573407358.db2.gz PBWKXSYPINYFOH-BDAKNGLRSA-N 2 1 195.266 0.952 10 0 ACAEMP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2cnc[nH]2)C1 86401235 573407404 /nfs/dbraw/zinc/40/74/04/573407404.db2.gz SQEOQTTUGFLARF-HTQZYQBOSA-N 2 1 180.255 0.379 10 0 ACAEMP C[N@H+]1CC[C@H](C[C@@H]2COCC[NH2+]2)C1 259097774 573407777 /nfs/dbraw/zinc/40/77/77/573407777.db2.gz JTJBGTKERIGXME-NXEZZACHSA-N 2 1 184.283 0.317 10 0 ACAEMP CN1CCC([NH2+][C@@H]2CC[C@@H]([NH3+])C2)CC1 86398358 573407460 /nfs/dbraw/zinc/40/74/60/573407460.db2.gz ZZPPWTAJSNRWBP-MWLCHTKSSA-N 3 1 197.326 0.550 10 0 ACAEMP C[C@H](CN[C@H]1CC[N@@H+](C)C1)C[NH+](C)C 308576223 573407531 /nfs/dbraw/zinc/40/75/31/573407531.db2.gz MTXQMZJJSWVKLC-MNOVXSKESA-N 2 1 199.342 0.478 10 0 ACAEMP C[C@H](C[NH2+][C@H]1CCN(C)C1)C[NH+](C)C 308576223 573407536 /nfs/dbraw/zinc/40/75/36/573407536.db2.gz MTXQMZJJSWVKLC-MNOVXSKESA-N 2 1 199.342 0.478 10 0 ACAEMP CC[N@@H+](CC[C@@H](C)O)C[C@@H](C)C[NH3+] 133504664 573407560 /nfs/dbraw/zinc/40/75/60/573407560.db2.gz VCRQORNNQKPVBT-VHSXEESVSA-N 2 1 188.315 0.674 10 0 ACAEMP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2ncc[nH]2)C1 86400933 573407576 /nfs/dbraw/zinc/40/75/76/573407576.db2.gz SGPKHOYAUJYMOE-SFYZADRCSA-N 2 1 180.255 0.379 10 0 ACAEMP Cn1ccnc1C[NH2+][C@H]1CC[C@@H]([NH3+])C1 86400542 573407614 /nfs/dbraw/zinc/40/76/14/573407614.db2.gz AXFVPTJXVLZZRK-BDAKNGLRSA-N 2 1 194.282 0.390 10 0 ACAEMP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2cc[nH]n2)C1 86399702 573407622 /nfs/dbraw/zinc/40/76/22/573407622.db2.gz KQQXLKBPDYADMY-SFYZADRCSA-N 2 1 180.255 0.379 10 0 ACAEMP [NH3+][C@H](CCO)C[NH+]1C[C@H]2CCC[C@@H]2C1 126181167 573407632 /nfs/dbraw/zinc/40/76/32/573407632.db2.gz CXKCAIWXLZBUEJ-GMTAPVOTSA-N 2 1 198.310 0.428 10 0 ACAEMP Cc1cc(C[NH2+][C@@H]2CC[C@H]([NH3+])C2)on1 86400080 573407697 /nfs/dbraw/zinc/40/76/97/573407697.db2.gz PBWKXSYPINYFOH-DTWKUNHWSA-N 2 1 195.266 0.952 10 0 ACAEMP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cc[nH]n2)C1 86399698 573408141 /nfs/dbraw/zinc/40/81/41/573408141.db2.gz KQQXLKBPDYADMY-YUMQZZPRSA-N 2 1 180.255 0.379 10 0 ACAEMP C[C@H]1CN(c2[nH+]ccn2C)[C@@H](C)C[NH2+]1 83119032 573408179 /nfs/dbraw/zinc/40/81/79/573408179.db2.gz HNLRZBKKHQVBQL-IUCAKERBSA-N 2 1 194.282 0.607 10 0 ACAEMP C[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCOC1 133515763 573408469 /nfs/dbraw/zinc/40/84/69/573408469.db2.gz OZCIBNYCQOODHM-RKDXNWHRSA-N 2 1 172.272 0.444 10 0 ACAEMP C[C@H]1CN(c2[nH+]ccn2C)[C@H](C)C[NH2+]1 83119031 573408499 /nfs/dbraw/zinc/40/84/99/573408499.db2.gz HNLRZBKKHQVBQL-DTWKUNHWSA-N 2 1 194.282 0.607 10 0 ACAEMP C[NH+](C)C1CN(C2CCC([NH3+])CC2)C1 107188178 573408706 /nfs/dbraw/zinc/40/87/06/573408706.db2.gz ISVUGBSWEOUISP-UHFFFAOYSA-N 2 1 197.326 0.502 10 0 ACAEMP CCNc1cc(NC[C@@H](C)[NH3+])nc[nH+]1 258647054 573408739 /nfs/dbraw/zinc/40/87/39/573408739.db2.gz MILCWESUKFDFFC-SSDOTTSWSA-N 2 1 195.270 0.668 10 0 ACAEMP C[N@H+]1CC[C@H](C[C@H]2COCC[NH2+]2)C1 259097781 573408756 /nfs/dbraw/zinc/40/87/56/573408756.db2.gz JTJBGTKERIGXME-ZJUUUORDSA-N 2 1 184.283 0.317 10 0 ACAEMP CC[N@@H+](C[C@@H](C)O)CC(C)(C)[NH3+] 308384924 573408843 /nfs/dbraw/zinc/40/88/43/573408843.db2.gz SZDXYPAIYBYQAJ-MRVPVSSYSA-N 2 1 174.288 0.426 10 0 ACAEMP [NH3+][C@H](CCO)C[NH+]1C[C@@H]2CCC[C@H]2C1 126180967 573410003 /nfs/dbraw/zinc/41/00/03/573410003.db2.gz CXKCAIWXLZBUEJ-GARJFASQSA-N 2 1 198.310 0.428 10 0 ACAEMP C[C@H]1C[NH2+][C@H](C)CN1c1[nH+]ccn1C 83119030 573410029 /nfs/dbraw/zinc/41/00/29/573410029.db2.gz HNLRZBKKHQVBQL-BDAKNGLRSA-N 2 1 194.282 0.607 10 0 ACAEMP C[C@H](O)CC[N@H+]1CCC[C@H](C[NH3+])C1 133516570 573409915 /nfs/dbraw/zinc/40/99/15/573409915.db2.gz SPZHDOSZNLXEMW-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP CC[N@@H+](C[C@H](C)O)CC(C)(C)[NH3+] 308384927 573411607 /nfs/dbraw/zinc/41/16/07/573411607.db2.gz SZDXYPAIYBYQAJ-QMMMGPOBSA-N 2 1 174.288 0.426 10 0 ACAEMP C[C@H](C[N@@H+](C)C(C)(C)CO)C(N)=[NH2+] 133487565 573411023 /nfs/dbraw/zinc/41/10/23/573411023.db2.gz ZFHZUSCRENMVCS-SSDOTTSWSA-N 2 1 187.287 0.261 10 0 ACAEMP CCC[N@H+]1CC[C@@H](N(C)CC[NH3+])C1 258645849 573411177 /nfs/dbraw/zinc/41/11/77/573411177.db2.gz SNDVXLRGMPTLGG-SNVBAGLBSA-N 2 1 185.315 0.361 10 0 ACAEMP CC[NH2+][C@@H](CO)[C@@H]1CCC[N@H+](C)C1 259443441 573411213 /nfs/dbraw/zinc/41/12/13/573411213.db2.gz VJPCVXDBLFJYKE-ZJUUUORDSA-N 2 1 186.299 0.299 10 0 ACAEMP CC[NH2+][C@@H](CO)[C@@H]1CCC[N@@H+](C)C1 259443441 573411218 /nfs/dbraw/zinc/41/12/18/573411218.db2.gz VJPCVXDBLFJYKE-ZJUUUORDSA-N 2 1 186.299 0.299 10 0 ACAEMP C[N@H+]1CCC[C@H](N2CC[C@H]([NH3+])C2)CC1 107188157 573411625 /nfs/dbraw/zinc/41/16/25/573411625.db2.gz ZSQUYBOSDCEYDI-QWRGUYRKSA-N 2 1 197.326 0.504 10 0 ACAEMP CC[NH2+][C@H](CO)[C@H]1CCC[N@H+](C)C1 259443440 573411438 /nfs/dbraw/zinc/41/14/38/573411438.db2.gz VJPCVXDBLFJYKE-VHSXEESVSA-N 2 1 186.299 0.299 10 0 ACAEMP CC[NH2+][C@H](CO)[C@H]1CCC[N@@H+](C)C1 259443440 573411441 /nfs/dbraw/zinc/41/14/41/573411441.db2.gz VJPCVXDBLFJYKE-VHSXEESVSA-N 2 1 186.299 0.299 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C 107217068 573411920 /nfs/dbraw/zinc/41/19/20/573411920.db2.gz RJRPQETZPJBQBP-RITPCOANSA-N 2 1 114.192 0.038 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C 107217068 573411925 /nfs/dbraw/zinc/41/19/25/573411925.db2.gz RJRPQETZPJBQBP-RITPCOANSA-N 2 1 114.192 0.038 10 0 ACAEMP C[N@H+]1C[C@H](C[NH3+])CC1(C)C 107218246 573414570 /nfs/dbraw/zinc/41/45/70/573414570.db2.gz IBBQRPYNTSTOKE-ZETCQYMHSA-N 2 1 142.246 0.675 10 0 ACAEMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1C1CC1 107220040 573414496 /nfs/dbraw/zinc/41/44/96/573414496.db2.gz OBOHODNGQGVKRI-APPZFPTMSA-N 2 1 154.257 0.960 10 0 ACAEMP CC[NH2+][C@@H](CO)[C@H]1CCC[N@H+](C)C1 259443439 573413173 /nfs/dbraw/zinc/41/31/73/573413173.db2.gz VJPCVXDBLFJYKE-UWVGGRQHSA-N 2 1 186.299 0.299 10 0 ACAEMP CC[NH2+][C@@H](CO)[C@H]1CCC[N@@H+](C)C1 259443439 573413180 /nfs/dbraw/zinc/41/31/80/573413180.db2.gz VJPCVXDBLFJYKE-UWVGGRQHSA-N 2 1 186.299 0.299 10 0 ACAEMP COCCCn1c[nH+]cc1[C@H](C)C[NH3+] 308577474 573413446 /nfs/dbraw/zinc/41/34/46/573413446.db2.gz NLASGGMIAQPIPL-SECBINFHSA-N 2 1 197.282 0.982 10 0 ACAEMP C[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2C[N@H+]1C 107219834 573414590 /nfs/dbraw/zinc/41/45/90/573414590.db2.gz CFNCUWCMYHOYJP-HLTSFMKQSA-N 2 1 154.257 0.546 10 0 ACAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C1CC1 107219980 573413893 /nfs/dbraw/zinc/41/38/93/573413893.db2.gz PRIMYXZHKJTJBX-HTQZYQBOSA-N 2 1 154.257 0.818 10 0 ACAEMP CC[C@@H]1[C@@H]([NH2+]C)CC[N@@H+]1C 107218277 573413968 /nfs/dbraw/zinc/41/39/68/573413968.db2.gz RBCJPUJJDHOARM-JGVFFNPUSA-N 2 1 142.246 0.689 10 0 ACAEMP CC[C@@H]1[C@@H]([NH2+]C)CC[N@H+]1C 107218277 573413972 /nfs/dbraw/zinc/41/39/72/573413972.db2.gz RBCJPUJJDHOARM-JGVFFNPUSA-N 2 1 142.246 0.689 10 0 ACAEMP C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1(C)C 107219935 573414032 /nfs/dbraw/zinc/41/40/32/573414032.db2.gz CTTFYXJENNBQAL-YUMQZZPRSA-N 2 1 154.257 0.689 10 0 ACAEMP C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1(C)C 107219935 573414036 /nfs/dbraw/zinc/41/40/36/573414036.db2.gz CTTFYXJENNBQAL-YUMQZZPRSA-N 2 1 154.257 0.689 10 0 ACAEMP [NH3+][C@@H]1CCC[C@H]([N@H+]2CCC[C@H](O)C2)C1 86410456 573414343 /nfs/dbraw/zinc/41/43/43/573414343.db2.gz HCBYIFYGFBXXND-VWYCJHECSA-N 2 1 198.310 0.713 10 0 ACAEMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1C1CC1 107220043 573414364 /nfs/dbraw/zinc/41/43/64/573414364.db2.gz OBOHODNGQGVKRI-CBAPKCEASA-N 2 1 154.257 0.960 10 0 ACAEMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1C1CC1 107220043 573414369 /nfs/dbraw/zinc/41/43/69/573414369.db2.gz OBOHODNGQGVKRI-CBAPKCEASA-N 2 1 154.257 0.960 10 0 ACAEMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C1CC1 107220034 573414450 /nfs/dbraw/zinc/41/44/50/573414450.db2.gz OBOHODNGQGVKRI-VXNVDRBHSA-N 2 1 154.257 0.960 10 0 ACAEMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1C1CC1 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573437704 /nfs/dbraw/zinc/43/77/04/573437704.db2.gz BDSWXGSUBDKFLV-UHFFFAOYSA-N 2 1 141.218 0.117 10 0 ACAEMP C[C@@H]1C[NH2+]CCCC[N@H+]1C 238396183 573437854 /nfs/dbraw/zinc/43/78/54/573437854.db2.gz ULBBBYNSIPPTJB-MRVPVSSYSA-N 2 1 142.246 0.690 10 0 ACAEMP NC(=[NH2+])[C@@H]([NH3+])C1CCCCC1 86456403 573437910 /nfs/dbraw/zinc/43/79/10/573437910.db2.gz YAVPNYKUSJYSMS-ZETCQYMHSA-N 2 1 155.245 0.830 10 0 ACAEMP CC[N@H+]1CC[C@H]([C@H](CO)C[NH2+]C)C1 258344048 573438066 /nfs/dbraw/zinc/43/80/66/573438066.db2.gz ZKPDILSOGWETEG-UWVGGRQHSA-N 2 1 186.299 0.156 10 0 ACAEMP CCC[C@H]([NH3+])C(N)=[NH2+] 86456410 573438130 /nfs/dbraw/zinc/43/81/30/573438130.db2.gz BBTFKHWAMZOLMK-BYPYZUCNSA-N 2 1 115.180 0.050 10 0 ACAEMP C[NH+]1CCC([C@@H](N)C[NH2+]C2CC2)CC1 258022017 573438156 /nfs/dbraw/zinc/43/81/56/573438156.db2.gz FYZQGTSRBCMXBR-NSHDSACASA-N 2 1 197.326 0.408 10 0 ACAEMP C[NH+](C)CCc1n[nH]c2c1C[NH2+]CC2 107235507 573438275 /nfs/dbraw/zinc/43/82/75/573438275.db2.gz LZXKCOWNFNFSDA-UHFFFAOYSA-N 2 1 194.282 0.160 10 0 ACAEMP CC[C@](C)(C[NH3+])N(C)[C@@H]1CC[N@@H+](C)C1 308582098 573438383 /nfs/dbraw/zinc/43/83/83/573438383.db2.gz PVJPNCWOBPWRBL-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H](CNC1=[NH+]CCC1)[NH+](C)C 86455266 573438669 /nfs/dbraw/zinc/43/86/69/573438669.db2.gz BEOVIDFBUGCCBX-QMMMGPOBSA-N 2 1 169.272 0.718 10 0 ACAEMP NC(=[NH2+])C1([NH3+])CCCCC1 86456382 573438784 /nfs/dbraw/zinc/43/87/84/573438784.db2.gz GAITZPSSQDQXPO-UHFFFAOYSA-N 2 1 141.218 0.584 10 0 ACAEMP C[NH+](C)CCc1onc2c1CC[NH2+]C2 107236299 573439150 /nfs/dbraw/zinc/43/91/50/573439150.db2.gz LEXMSILRKVYTJR-UHFFFAOYSA-N 2 1 195.266 0.424 10 0 ACAEMP CCC[C@@H]([NH3+])C(N)=[NH2+] 86456411 573438990 /nfs/dbraw/zinc/43/89/90/573438990.db2.gz BBTFKHWAMZOLMK-SCSAIBSYSA-N 2 1 115.180 0.050 10 0 ACAEMP Cn1cc[nH+]c1CCNC1=[NH+]CCC1 86455278 573439006 /nfs/dbraw/zinc/43/90/06/573439006.db2.gz RPKBINAYWDHLNT-UHFFFAOYSA-N 2 1 192.266 0.745 10 0 ACAEMP CC[C@@](C)(C[NH3+])N(C)[C@@H]1CC[N@@H+](C)C1 308582099 573439060 /nfs/dbraw/zinc/43/90/60/573439060.db2.gz PVJPNCWOBPWRBL-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP CC[C@](C)(C[NH3+])N(C)[C@H]1CC[N@@H+](C)C1 308582101 573439550 /nfs/dbraw/zinc/43/95/50/573439550.db2.gz PVJPNCWOBPWRBL-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP C[N@@H+]1CC[NH2+]C[C@@H](CF)C1 258655447 573439615 /nfs/dbraw/zinc/43/96/15/573439615.db2.gz ZVTWQGRYZVDHHP-SSDOTTSWSA-N 2 1 146.209 0.107 10 0 ACAEMP C[N@H+]1CC[NH2+]C[C@@H](CF)C1 258655447 573439620 /nfs/dbraw/zinc/43/96/20/573439620.db2.gz ZVTWQGRYZVDHHP-SSDOTTSWSA-N 2 1 146.209 0.107 10 0 ACAEMP C[N@H+]1CC[C@@H](c2nc(C[NH3+])co2)C1 258020913 573440913 /nfs/dbraw/zinc/44/09/13/573440913.db2.gz JNOBVQHCBMDLOS-SSDOTTSWSA-N 2 1 181.239 0.552 10 0 ACAEMP C[N@@H+]1CC[NH2+]C[C@H](CF)C1 258655454 573441171 /nfs/dbraw/zinc/44/11/71/573441171.db2.gz ZVTWQGRYZVDHHP-ZETCQYMHSA-N 2 1 146.209 0.107 10 0 ACAEMP C[N@H+]1CC[NH2+]C[C@H](CF)C1 258655454 573441174 /nfs/dbraw/zinc/44/11/74/573441174.db2.gz ZVTWQGRYZVDHHP-ZETCQYMHSA-N 2 1 146.209 0.107 10 0 ACAEMP C[C@H]([NH3+])C[N@H+](CCO)CC1CC1 308390179 573441307 /nfs/dbraw/zinc/44/13/07/573441307.db2.gz XPDZJTWTURQEJO-QMMMGPOBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@H]([NH3+])C[N@@H+](CCO)CC1CC1 308390179 573441318 /nfs/dbraw/zinc/44/13/18/573441318.db2.gz XPDZJTWTURQEJO-QMMMGPOBSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[N@H+]1CCC[C@]2(CC1)C[NH+]=C(N)N2 86457377 573441333 /nfs/dbraw/zinc/44/13/33/573441333.db2.gz PBWOXFVJDJNJGD-JTQLQIEISA-N 2 1 196.298 0.149 10 0 ACAEMP C[C@H](O)C[N@@H+](C)CCCC[NH+](C)C 308390767 573441451 /nfs/dbraw/zinc/44/14/51/573441451.db2.gz YESYFXMLOKYIOM-JTQLQIEISA-N 2 1 188.315 0.641 10 0 ACAEMP CC[N@H+]1CCC[C@@]2(CC1)C[NH+]=C(N)N2 86457376 573442542 /nfs/dbraw/zinc/44/25/42/573442542.db2.gz PBWOXFVJDJNJGD-SNVBAGLBSA-N 2 1 196.298 0.149 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])C(C)(C)CC[NH3+])C1 259103115 573443808 /nfs/dbraw/zinc/44/38/08/573443808.db2.gz BCBWZLDPCUJUDZ-VHSXEESVSA-N 3 1 199.342 0.640 10 0 ACAEMP CC[C@@H](C(N)=[NH2+])N(C)[C@@H]1CC[N@@H+](C)C1 308587360 573443829 /nfs/dbraw/zinc/44/38/29/573443829.db2.gz STWTXMHXPOLYDY-BDAKNGLRSA-N 2 1 198.314 0.337 10 0 ACAEMP [NH3+]CC[NH2+]CC1(O)CCCCCC1 50523559 573444015 /nfs/dbraw/zinc/44/40/15/573444015.db2.gz PPYRMYMHVAMFIS-UHFFFAOYSA-N 2 1 186.299 0.620 10 0 ACAEMP C[C@@H](O)C[N@@H+](C)CCCC[NH+](C)C 308390777 573444063 /nfs/dbraw/zinc/44/40/63/573444063.db2.gz YESYFXMLOKYIOM-SNVBAGLBSA-N 2 1 188.315 0.641 10 0 ACAEMP C[C@@H]([NH3+])C[N@H+](CCO)CC1CC1 308390178 573444099 /nfs/dbraw/zinc/44/40/99/573444099.db2.gz XPDZJTWTURQEJO-MRVPVSSYSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H]([NH3+])C[N@@H+](CCO)CC1CC1 308390178 573444105 /nfs/dbraw/zinc/44/41/05/573444105.db2.gz XPDZJTWTURQEJO-MRVPVSSYSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@H](C[NH3+])C[NH2+]CCC[NH+](C)C 258654210 573444115 /nfs/dbraw/zinc/44/41/15/573444115.db2.gz NADLVECUWBHJJR-SNVBAGLBSA-N 3 1 187.331 0.513 10 0 ACAEMP C[NH2+]Cc1cnn([C@@H]2CC[N@@H+](C)C2)c1 257813617 573444228 /nfs/dbraw/zinc/44/42/28/573444228.db2.gz CFYFHZPFXLYWJY-SNVBAGLBSA-N 2 1 194.282 0.479 10 0 ACAEMP C[C@@H]1CN([C@H]2CCC[N@H+]2C)CCC[NH2+]1 258355674 573444726 /nfs/dbraw/zinc/44/47/26/573444726.db2.gz ZRFQQNLCVJDZTD-MNOVXSKESA-N 2 1 197.326 0.722 10 0 ACAEMP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)C)C1 259451474 573444483 /nfs/dbraw/zinc/44/44/83/573444483.db2.gz WDOKHTJEODOWSI-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP CCC[N@H+]1CCC[C@](C[NH3+])(N(C)C)C1 259451474 573444486 /nfs/dbraw/zinc/44/44/86/573444486.db2.gz WDOKHTJEODOWSI-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP COCC[N@@H+](C)CC[C@@H]([NH3+])C1CC1 130048954 573444734 /nfs/dbraw/zinc/44/47/34/573444734.db2.gz XGTGPCNFRGBAOW-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP CN1C(N)=[NH+]C[C@@]12CCC[N@@H+](C)CC2 86458745 573444610 /nfs/dbraw/zinc/44/46/10/573444610.db2.gz YZCRCPAHBWJYRT-JTQLQIEISA-N 2 1 196.298 0.101 10 0 ACAEMP CCCN1C(N)=[NH+]C[C@]12CC[N@@H+](C)C2 86460065 573445705 /nfs/dbraw/zinc/44/57/05/573445705.db2.gz QHBQZWPVOJOISS-JTQLQIEISA-N 2 1 196.298 0.101 10 0 ACAEMP CCCCOCC[NH2+]CC[NH3+] 50523752 573447975 /nfs/dbraw/zinc/44/79/75/573447975.db2.gz SDDVJKUWJDMAMX-UHFFFAOYSA-N 2 1 160.261 0.351 10 0 ACAEMP [NH3+]CCCC[N@H+]1CCC[C@]12CCOC2 308588825 573447198 /nfs/dbraw/zinc/44/71/98/573447198.db2.gz UEKRYFDOLVGZAA-LLVKDONJSA-N 2 1 198.310 0.980 10 0 ACAEMP CCC[N@@H+](CC1CC1)[C@@H](CN)CO 130059014 573447481 /nfs/dbraw/zinc/44/74/81/573447481.db2.gz BOHGTLTXXKTQAY-JTQLQIEISA-N 2 1 186.299 0.428 10 0 ACAEMP CCC[N@H+](CC1CC1)[C@@H](C[NH3+])CO 130059014 573447485 /nfs/dbraw/zinc/44/74/85/573447485.db2.gz BOHGTLTXXKTQAY-JTQLQIEISA-N 2 1 186.299 0.428 10 0 ACAEMP CCC[N@@H+](CC1CC1)[C@@H](C[NH3+])CO 130059014 573447488 /nfs/dbraw/zinc/44/74/88/573447488.db2.gz BOHGTLTXXKTQAY-JTQLQIEISA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@H]([NH3+])C[C@H]1CC[N@@H+](C)C1 83267792 573447575 /nfs/dbraw/zinc/44/75/75/573447575.db2.gz SXKGFWQEIZERLW-JGVFFNPUSA-N 2 1 142.246 0.675 10 0 ACAEMP C[C@@H]([NH3+])c1nc([C@@H]2CC[NH2+]C2)no1 238398695 573447616 /nfs/dbraw/zinc/44/76/16/573447616.db2.gz FBVSVRIMVYZFOH-PHDIDXHHSA-N 2 1 182.227 0.166 10 0 ACAEMP C[C@@H]([NH3+])c1nc([C@H]2CC[NH2+]C2)no1 238398715 573447639 /nfs/dbraw/zinc/44/76/39/573447639.db2.gz FBVSVRIMVYZFOH-RITPCOANSA-N 2 1 182.227 0.166 10 0 ACAEMP CC(C)[N@H+]1CC[C@]2(C[NH+]=C(N)N2C)C1 86458142 573447671 /nfs/dbraw/zinc/44/76/71/573447671.db2.gz KZAMCDUWRPOEFR-JTQLQIEISA-N 2 1 196.298 0.099 10 0 ACAEMP CC(=O)C[C@@H]([NH3+])[C@H]1CC[N@H+](C)C1 259452952 573447826 /nfs/dbraw/zinc/44/78/26/573447826.db2.gz OFLIOSFTYYMGDF-DTWKUNHWSA-N 2 1 170.256 0.245 10 0 ACAEMP C[NH2+]C/C=C\[C@@H]1CC[N@@H+](C)C1 258352190 573447907 /nfs/dbraw/zinc/44/79/07/573447907.db2.gz YNUVUKAAMXAKAO-ZBJFTSOASA-N 2 1 154.257 0.714 10 0 ACAEMP CC(C)[C@@H]([NH3+])CN(C)[C@@H]1CC[N@@H+](C)C1 308588077 573447982 /nfs/dbraw/zinc/44/79/82/573447982.db2.gz TWLXLMWILARCIB-MNOVXSKESA-N 2 1 199.342 0.606 10 0 ACAEMP CC(C)[N@H+]1CC[C@@]2(C[NH+]=C(N)N2C)C1 86458144 573448113 /nfs/dbraw/zinc/44/81/13/573448113.db2.gz KZAMCDUWRPOEFR-SNVBAGLBSA-N 2 1 196.298 0.099 10 0 ACAEMP CC(C)CC[N@H+](C)[C@H](CN)CO 130053312 573448159 /nfs/dbraw/zinc/44/81/59/573448159.db2.gz SKAFKFNPRLAONQ-SECBINFHSA-N 2 1 174.288 0.284 10 0 ACAEMP CC(C)CC[N@@H+](C)[C@H](CN)CO 130053312 573448163 /nfs/dbraw/zinc/44/81/63/573448163.db2.gz SKAFKFNPRLAONQ-SECBINFHSA-N 2 1 174.288 0.284 10 0 ACAEMP CC[C@H](C[NH3+])[C@@H]([NH3+])[C@H]1CC[N@@H+](C)C1 259449855 573448302 /nfs/dbraw/zinc/44/83/02/573448302.db2.gz OCEBEAKJTDLEGV-KXUCPTDWSA-N 3 1 185.315 0.250 10 0 ACAEMP CC[C@H](C[NH3+])[C@@H](N)[C@H]1CC[N@H+](C)C1 259449855 573448308 /nfs/dbraw/zinc/44/83/08/573448308.db2.gz OCEBEAKJTDLEGV-KXUCPTDWSA-N 2 1 185.315 0.250 10 0 ACAEMP CC[C@H](C[NH3+])[C@@H](N)[C@H]1CC[N@@H+](C)C1 259449855 573448312 /nfs/dbraw/zinc/44/83/12/573448312.db2.gz OCEBEAKJTDLEGV-KXUCPTDWSA-N 2 1 185.315 0.250 10 0 ACAEMP CC(=O)C[C@@H]([NH3+])[C@@H]1CC[N@H+](C)C1 259452955 573448353 /nfs/dbraw/zinc/44/83/53/573448353.db2.gz OFLIOSFTYYMGDF-RKDXNWHRSA-N 2 1 170.256 0.245 10 0 ACAEMP CCC[N@@H+](CC1CC1)[C@H](CN)CO 130059239 573448468 /nfs/dbraw/zinc/44/84/68/573448468.db2.gz BOHGTLTXXKTQAY-SNVBAGLBSA-N 2 1 186.299 0.428 10 0 ACAEMP CCC[N@H+](CC1CC1)[C@H](C[NH3+])CO 130059239 573448471 /nfs/dbraw/zinc/44/84/71/573448471.db2.gz BOHGTLTXXKTQAY-SNVBAGLBSA-N 2 1 186.299 0.428 10 0 ACAEMP CCC[N@@H+](CC1CC1)[C@H](C[NH3+])CO 130059239 573448476 /nfs/dbraw/zinc/44/84/76/573448476.db2.gz BOHGTLTXXKTQAY-SNVBAGLBSA-N 2 1 186.299 0.428 10 0 ACAEMP CC(C)CCOCC[NH2+]CC[NH3+] 50523707 573448586 /nfs/dbraw/zinc/44/85/86/573448586.db2.gz HOLYHEBLFADIBO-UHFFFAOYSA-N 2 1 174.288 0.597 10 0 ACAEMP Cc1[nH+]ccn1CCC[NH2+]CCC[NH3+] 308812155 573448757 /nfs/dbraw/zinc/44/87/57/573448757.db2.gz CVFQJPYFYNSLKQ-UHFFFAOYSA-N 3 1 196.298 0.520 10 0 ACAEMP [NH3+][C@@H](C[C@H]1COCC[NH2+]1)C1CCCC1 259452933 573448978 /nfs/dbraw/zinc/44/89/78/573448978.db2.gz OFENARZDLVQGMQ-QWRGUYRKSA-N 2 1 198.310 0.882 10 0 ACAEMP C[NH2+]C/C=C\[C@H]1CC[N@@H+](C)C1 258352188 573449532 /nfs/dbraw/zinc/44/95/32/573449532.db2.gz YNUVUKAAMXAKAO-TYRPZCRBSA-N 2 1 154.257 0.714 10 0 ACAEMP Cc1[nH+]c([C@@H]2CCOC2)[nH]c1CC[NH3+] 257811272 573449546 /nfs/dbraw/zinc/44/95/46/573449546.db2.gz BBMIKVDVGDWOSJ-MRVPVSSYSA-N 2 1 195.266 0.723 10 0 ACAEMP [NH3+]CCCC[N@H+]1CC[C@@H](F)C1 107260980 573449891 /nfs/dbraw/zinc/44/98/91/573449891.db2.gz JUAMOKLHAOSRFV-MRVPVSSYSA-N 2 1 160.236 0.769 10 0 ACAEMP [NH3+]CC[NH2+]CCOCC(F)(F)F 50523709 573450031 /nfs/dbraw/zinc/45/00/31/573450031.db2.gz LQJDEUIFMBWWTD-UHFFFAOYSA-N 2 1 186.177 0.114 10 0 ACAEMP [NH3+]C[C@@H](F)C[NH+]1CCCC1 107258175 573450191 /nfs/dbraw/zinc/45/01/91/573450191.db2.gz ODIBMMOYDJTRRY-SSDOTTSWSA-N 2 1 146.209 0.379 10 0 ACAEMP CC(C)C[N@H+](C1CC1)[C@@H](CN)CO 130070565 573450364 /nfs/dbraw/zinc/45/03/64/573450364.db2.gz WCKBLZLLJKMFDB-JTQLQIEISA-N 2 1 186.299 0.426 10 0 ACAEMP CC(C)CN(C1CC1)[C@@H](C[NH3+])CO 130070565 573450366 /nfs/dbraw/zinc/45/03/66/573450366.db2.gz WCKBLZLLJKMFDB-JTQLQIEISA-N 2 1 186.299 0.426 10 0 ACAEMP CCC[NH2+]C1(C[NH3+])CCC1 86475138 573450389 /nfs/dbraw/zinc/45/03/89/573450389.db2.gz MMTWZHOTRTVHND-UHFFFAOYSA-N 2 1 142.246 0.867 10 0 ACAEMP CC(C)[C@@H]([NH3+])CN(C)[C@H]1CC[N@@H+](C)C1 308588078 573450518 /nfs/dbraw/zinc/45/05/18/573450518.db2.gz TWLXLMWILARCIB-QWRGUYRKSA-N 2 1 199.342 0.606 10 0 ACAEMP CC(C)[N@@H+](CC1CC1)[C@@H](CN)CO 130072399 573450532 /nfs/dbraw/zinc/45/05/32/573450532.db2.gz WJEAWAMKBISFAS-JTQLQIEISA-N 2 1 186.299 0.426 10 0 ACAEMP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])CO 130072399 573450536 /nfs/dbraw/zinc/45/05/36/573450536.db2.gz WJEAWAMKBISFAS-JTQLQIEISA-N 2 1 186.299 0.426 10 0 ACAEMP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])CO 130072399 573450542 /nfs/dbraw/zinc/45/05/42/573450542.db2.gz WJEAWAMKBISFAS-JTQLQIEISA-N 2 1 186.299 0.426 10 0 ACAEMP CC[C@H](C[NH3+])[C@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259449852 573450544 /nfs/dbraw/zinc/45/05/44/573450544.db2.gz OCEBEAKJTDLEGV-BBBLOLIVSA-N 3 1 185.315 0.250 10 0 ACAEMP CC[C@H](C[NH3+])[C@H](N)[C@@H]1CC[N@H+](C)C1 259449852 573450547 /nfs/dbraw/zinc/45/05/47/573450547.db2.gz OCEBEAKJTDLEGV-BBBLOLIVSA-N 2 1 185.315 0.250 10 0 ACAEMP CC[C@H](C[NH3+])[C@H](N)[C@@H]1CC[N@@H+](C)C1 259449852 573450553 /nfs/dbraw/zinc/45/05/53/573450553.db2.gz OCEBEAKJTDLEGV-BBBLOLIVSA-N 2 1 185.315 0.250 10 0 ACAEMP [NH3+]C[C@H](F)C[NH+]1CCCC1 107258177 573450554 /nfs/dbraw/zinc/45/05/54/573450554.db2.gz ODIBMMOYDJTRRY-ZETCQYMHSA-N 2 1 146.209 0.379 10 0 ACAEMP [NH3+][C@H](C[C@H]1COCC[NH2+]1)C1CCCC1 259452934 573450745 /nfs/dbraw/zinc/45/07/45/573450745.db2.gz OFENARZDLVQGMQ-WDEREUQCSA-N 2 1 198.310 0.882 10 0 ACAEMP [NH3+][C@H](C[C@@H]1COCC[NH2+]1)C1CCCC1 259452929 573450807 /nfs/dbraw/zinc/45/08/07/573450807.db2.gz OFENARZDLVQGMQ-GHMZBOCLSA-N 2 1 198.310 0.882 10 0 ACAEMP [NH3+]CC1([NH2+]CC2CC2)CC1 236227250 573450851 /nfs/dbraw/zinc/45/08/51/573450851.db2.gz RNPKRAKKXYJWKI-UHFFFAOYSA-N 2 1 140.230 0.477 10 0 ACAEMP CC(=O)C[C@H]([NH3+])[C@@H]1CC[N@H+](C)C1 259452950 573450907 /nfs/dbraw/zinc/45/09/07/573450907.db2.gz OFLIOSFTYYMGDF-BDAKNGLRSA-N 2 1 170.256 0.245 10 0 ACAEMP CC(C)C[C@@H](C)N(C)[C@@H](C[NH3+])CO 130071042 573453161 /nfs/dbraw/zinc/45/31/61/573453161.db2.gz CKECRJBTQQYBBL-ZJUUUORDSA-N 2 1 188.315 0.672 10 0 ACAEMP [NH3+]C1CCC(CN[C@H]2CC[NH2+]C2)CC1 257817226 573451074 /nfs/dbraw/zinc/45/10/74/573451074.db2.gz DRWWGIAXVXQXIL-ILDUYXDCSA-N 2 1 197.326 0.455 10 0 ACAEMP CCn1nc2c(c1C[NH3+])CC[N@H+](C)C2 257816784 573451110 /nfs/dbraw/zinc/45/11/10/573451110.db2.gz DNPXOKQIYNBXPB-UHFFFAOYSA-N 2 1 194.282 0.350 10 0 ACAEMP [NH3+]CCCC[N@H+]1CCC[C@@]12CCOC2 308588830 573451128 /nfs/dbraw/zinc/45/11/28/573451128.db2.gz UEKRYFDOLVGZAA-NSHDSACASA-N 2 1 198.310 0.980 10 0 ACAEMP C[C@H]1CN(C2(C[NH3+])CCC2)CC[N@H+]1C 86475181 573451243 /nfs/dbraw/zinc/45/12/43/573451243.db2.gz VOMBHENRSCOWOO-JTQLQIEISA-N 2 1 197.326 0.504 10 0 ACAEMP CC(C)C[N@@H+](C(C)C)[C@H](CN)CO 130072162 573453282 /nfs/dbraw/zinc/45/32/82/573453282.db2.gz PYJYTRRZQKXQBK-SNVBAGLBSA-N 2 1 188.315 0.672 10 0 ACAEMP CC(=O)C[C@H]([NH3+])[C@H]1CC[N@H+](C)C1 259452953 573451319 /nfs/dbraw/zinc/45/13/19/573451319.db2.gz OFLIOSFTYYMGDF-IUCAKERBSA-N 2 1 170.256 0.245 10 0 ACAEMP [NH3+]CC1([NH2+]CC2CC2)CCC1 86475239 573451420 /nfs/dbraw/zinc/45/14/20/573451420.db2.gz LSDLKWUAIJDNGQ-UHFFFAOYSA-N 2 1 154.257 0.867 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H]2COCCC[NH2+]2)C1 83276153 573451488 /nfs/dbraw/zinc/45/14/88/573451488.db2.gz WXDULWHXLWKEEG-ZJUUUORDSA-N 2 1 184.283 0.317 10 0 ACAEMP CC(C)C[N@H+](C(C)C)[C@H](C[NH3+])CO 130072162 573453286 /nfs/dbraw/zinc/45/32/86/573453286.db2.gz PYJYTRRZQKXQBK-SNVBAGLBSA-N 2 1 188.315 0.672 10 0 ACAEMP CC(C)C[N@@H+](C(C)C)[C@H](C[NH3+])CO 130072162 573453290 /nfs/dbraw/zinc/45/32/90/573453290.db2.gz PYJYTRRZQKXQBK-SNVBAGLBSA-N 2 1 188.315 0.672 10 0 ACAEMP CC(C)N1C(N)=[NH+]C[C@@]12CC[N@@H+](C)C2 86473276 573453182 /nfs/dbraw/zinc/45/31/82/573453182.db2.gz BYVCCGVRESKCLY-SNVBAGLBSA-N 2 1 196.298 0.099 10 0 ACAEMP CC(C)[C@H]([NH3+])CN(C)[C@H]1CC[N@@H+](C)C1 308588080 573452243 /nfs/dbraw/zinc/45/22/43/573452243.db2.gz TWLXLMWILARCIB-WDEREUQCSA-N 2 1 199.342 0.606 10 0 ACAEMP CCO[C@@]1(C[NH3+])CC[N@H+](C2CC2)C1 257816992 573452365 /nfs/dbraw/zinc/45/23/65/573452365.db2.gz DLDLDKGSPRTNMN-SNVBAGLBSA-N 2 1 184.283 0.589 10 0 ACAEMP COCC[NH2+]C1(C[NH3+])CCC1 86475149 573452383 /nfs/dbraw/zinc/45/23/83/573452383.db2.gz XKMUDJRFAIHVSY-UHFFFAOYSA-N 2 1 158.245 0.104 10 0 ACAEMP CCO[C@]1(C[NH3+])CC[N@H+](C2CC2)C1 257816990 573452815 /nfs/dbraw/zinc/45/28/15/573452815.db2.gz DLDLDKGSPRTNMN-JTQLQIEISA-N 2 1 184.283 0.589 10 0 ACAEMP COC1CC[NH+](C2(C[NH3+])CCC2)CC1 86474964 573452914 /nfs/dbraw/zinc/45/29/14/573452914.db2.gz MBFDYDWTHKNOHJ-UHFFFAOYSA-N 2 1 198.310 0.979 10 0 ACAEMP C[N@H+]1CCCN(C2(C[NH3+])CCC2)CC1 86474935 573452998 /nfs/dbraw/zinc/45/29/98/573452998.db2.gz QYNMLEWUQZTYIV-UHFFFAOYSA-N 2 1 197.326 0.505 10 0 ACAEMP C[C@H]([NH3+])C[C@@H]1CC[N@@H+](C)C1 83267790 573453013 /nfs/dbraw/zinc/45/30/13/573453013.db2.gz SXKGFWQEIZERLW-YUMQZZPRSA-N 2 1 142.246 0.675 10 0 ACAEMP CC(C)[N@@H+](C)[C@@H](C)C[C@@](C)(O)C[NH3+] 223299875 573453033 /nfs/dbraw/zinc/45/30/33/573453033.db2.gz AQEYROKIEHZTMX-VHSXEESVSA-N 2 1 188.315 0.815 10 0 ACAEMP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](CN)CO 130071042 573453159 /nfs/dbraw/zinc/45/31/59/573453159.db2.gz CKECRJBTQQYBBL-ZJUUUORDSA-N 2 1 188.315 0.672 10 0 ACAEMP CC(C)[N@@H+](CC1CC1)[C@H](CN)CO 130072640 573454132 /nfs/dbraw/zinc/45/41/32/573454132.db2.gz WJEAWAMKBISFAS-SNVBAGLBSA-N 2 1 186.299 0.426 10 0 ACAEMP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])CO 130072640 573454136 /nfs/dbraw/zinc/45/41/36/573454136.db2.gz WJEAWAMKBISFAS-SNVBAGLBSA-N 2 1 186.299 0.426 10 0 ACAEMP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])CO 130072640 573454142 /nfs/dbraw/zinc/45/41/42/573454142.db2.gz WJEAWAMKBISFAS-SNVBAGLBSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@@H]1CN(C2(C[NH3+])CCC2)CC[N@H+]1C 86475180 573454209 /nfs/dbraw/zinc/45/42/09/573454209.db2.gz VOMBHENRSCOWOO-SNVBAGLBSA-N 2 1 197.326 0.504 10 0 ACAEMP CCN(CC[NH+](C)C)C(C)=[NH2+] 220298349 573454448 /nfs/dbraw/zinc/45/44/48/573454448.db2.gz RDYJYOCFUJFAIQ-UHFFFAOYSA-N 2 1 157.261 0.867 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1[C@H]1C[NH2+][C@H](CO)C1 258362479 573454478 /nfs/dbraw/zinc/45/44/78/573454478.db2.gz ZJYCZFODKSHUCL-OUAUKWLOSA-N 2 1 198.310 0.441 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1[C@@H]1C[NH2+][C@H](CO)C1 258362475 573454890 /nfs/dbraw/zinc/45/48/90/573454890.db2.gz ZJYCZFODKSHUCL-GARJFASQSA-N 2 1 198.310 0.441 10 0 ACAEMP C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCC[NH2+]C1 107265051 573454897 /nfs/dbraw/zinc/45/48/97/573454897.db2.gz NDBQQFHVVYMVBD-OPRDCNLKSA-N 2 1 184.283 0.051 10 0 ACAEMP C[C@@H]1CO[C@@H]([C@@H]2CCC[NH2+]C2)[NH2+]1 258364213 573455011 /nfs/dbraw/zinc/45/50/11/573455011.db2.gz GLCPXRYWCQWBCE-HLTSFMKQSA-N 2 1 170.256 0.320 10 0 ACAEMP C[NH+](C)C[C@]1(CF)CC[NH2+]C1 107265531 573455436 /nfs/dbraw/zinc/45/54/36/573455436.db2.gz YUVPYUUKTVRQIO-QMMMGPOBSA-N 2 1 160.236 0.497 10 0 ACAEMP COCC[N@H+]1CC[C@@H]([NH3+])CC1(C)C 259455368 573455461 /nfs/dbraw/zinc/45/54/61/573455461.db2.gz PRIZPBSYSHSASI-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@](C)([NH3+])CN(C)[C@H]1CC[N@@H+](C)C1 308591279 573455497 /nfs/dbraw/zinc/45/54/97/573455497.db2.gz VPQJWZKZWGHYHI-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H]1CO[C@H]([C@@H]2CCC[NH2+]C2)[NH2+]1 258364215 573455637 /nfs/dbraw/zinc/45/56/37/573455637.db2.gz GLCPXRYWCQWBCE-IWSPIJDZSA-N 2 1 170.256 0.320 10 0 ACAEMP CC[C@@H]1C[C@@]1(C[NH3+])[NH+](C)C 211771809 573455680 /nfs/dbraw/zinc/45/56/80/573455680.db2.gz ZTEQGSJHOXDBSF-SFYZADRCSA-N 2 1 142.246 0.675 10 0 ACAEMP CC[C@@H]1CC[C@H](C)[N@@H+]1[C@@H](C[NH3+])CO 130171518 573455732 /nfs/dbraw/zinc/45/57/32/573455732.db2.gz OOCRXVFDZZICGL-AEJSXWLSSA-N 2 1 186.299 0.569 10 0 ACAEMP CC[C@@H]1CC[C@H](C)[N@H+]1[C@@H](C[NH3+])CO 130171518 573455736 /nfs/dbraw/zinc/45/57/36/573455736.db2.gz OOCRXVFDZZICGL-AEJSXWLSSA-N 2 1 186.299 0.569 10 0 ACAEMP C[C@]1(C[C@H]2CCCC[NH2+]2)[NH2+]CCO1 258361022 573455817 /nfs/dbraw/zinc/45/58/17/573455817.db2.gz GGIGEIOIHQDQRT-ZJUUUORDSA-N 2 1 184.283 0.855 10 0 ACAEMP C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1[C@@H]1CCC[NH2+]C1 107265115 573455958 /nfs/dbraw/zinc/45/59/58/573455958.db2.gz XNBFYONNVYLJJI-HBNTYKKESA-N 3 1 197.326 0.265 10 0 ACAEMP C[N@H+]1C[C@H](C[NH3+])C[C@@H]1[C@@H]1CCC[NH2+]C1 107265115 573455966 /nfs/dbraw/zinc/45/59/66/573455966.db2.gz XNBFYONNVYLJJI-HBNTYKKESA-N 3 1 197.326 0.265 10 0 ACAEMP CN1CC[C@@H]([N@@H+](C)CCCC(N)=[NH2+])C1 308590974 573455988 /nfs/dbraw/zinc/45/59/88/573455988.db2.gz VJRPQHXRIXGLFZ-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP CC[C@](C)([NH3+])CN(C)[C@@H]1CC[N@@H+](C)C1 308591277 573456775 /nfs/dbraw/zinc/45/67/75/573456775.db2.gz VPQJWZKZWGHYHI-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP CN(CCCC(N)=[NH2+])[C@@H]1CC[N@H+](C)C1 308590974 573455995 /nfs/dbraw/zinc/45/59/95/573455995.db2.gz VJRPQHXRIXGLFZ-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP CN(CCCC(N)=[NH2+])[C@@H]1CC[N@@H+](C)C1 308590974 573456004 /nfs/dbraw/zinc/45/60/04/573456004.db2.gz VJRPQHXRIXGLFZ-SECBINFHSA-N 2 1 198.314 0.338 10 0 ACAEMP C[NH2+][C@H](C[C@H](C)C[NH3+])[C@@H]1CC[N@@H+](C)C1 259454491 573456175 /nfs/dbraw/zinc/45/61/75/573456175.db2.gz PEPBAZZQFUAHOA-HBNTYKKESA-N 3 1 199.342 0.511 10 0 ACAEMP C[NH2+][C@H](C[C@H](C)C[NH3+])[C@@H]1CCN(C)C1 259454491 573456181 /nfs/dbraw/zinc/45/61/81/573456181.db2.gz PEPBAZZQFUAHOA-HBNTYKKESA-N 2 1 199.342 0.511 10 0 ACAEMP C[C@@H]1CO[C@H]([C@H]2CCC[NH2+]C2)[NH2+]1 258364214 573456787 /nfs/dbraw/zinc/45/67/87/573456787.db2.gz GLCPXRYWCQWBCE-HRDYMLBCSA-N 2 1 170.256 0.320 10 0 ACAEMP COCC[N@H+]1CC[C@H]([NH3+])CC1(C)C 259455370 573456432 /nfs/dbraw/zinc/45/64/32/573456432.db2.gz PRIZPBSYSHSASI-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@H+]1CC[C@H](CO)[C@@H]1[C@@H]1CCC[NH2+]C1 107264937 573456597 /nfs/dbraw/zinc/45/65/97/573456597.db2.gz HNWPYYUAFDGYQF-MXWKQRLJSA-N 2 1 198.310 0.299 10 0 ACAEMP CC1(C)C[C@@H](N)C[N@H+]1C1CC1 259453816 573458152 /nfs/dbraw/zinc/45/81/52/573458152.db2.gz PKBRMSCOYAPUII-SSDOTTSWSA-N 2 1 154.257 0.960 10 0 ACAEMP CC1(C)C[C@@H]([NH3+])C[N@H+]1C1CC1 259453816 573458162 /nfs/dbraw/zinc/45/81/62/573458162.db2.gz PKBRMSCOYAPUII-SSDOTTSWSA-N 2 1 154.257 0.960 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1[C@H]1C[NH2+][C@@H](CO)C1 258362476 573457969 /nfs/dbraw/zinc/45/79/69/573457969.db2.gz ZJYCZFODKSHUCL-GMTAPVOTSA-N 2 1 198.310 0.441 10 0 ACAEMP C[NH2+][C@H](C[C@@H](C)C[NH3+])[C@@H]1CC[N@@H+](C)C1 259454487 573458074 /nfs/dbraw/zinc/45/80/74/573458074.db2.gz PEPBAZZQFUAHOA-GMTAPVOTSA-N 3 1 199.342 0.511 10 0 ACAEMP C[NH2+][C@H](C[C@@H](C)C[NH3+])[C@@H]1CCN(C)C1 259454487 573458078 /nfs/dbraw/zinc/45/80/78/573458078.db2.gz PEPBAZZQFUAHOA-GMTAPVOTSA-N 2 1 199.342 0.511 10 0 ACAEMP C[NH+](C)C[C@@]1(CF)CC[NH2+]C1 107265533 573459570 /nfs/dbraw/zinc/45/95/70/573459570.db2.gz YUVPYUUKTVRQIO-MRVPVSSYSA-N 2 1 160.236 0.497 10 0 ACAEMP [NH3+]Cc1c2c(nn1C1CCC1)C[NH2+]C2 257814246 573459578 /nfs/dbraw/zinc/45/95/78/573459578.db2.gz CMIOJEAONUKVBZ-UHFFFAOYSA-N 2 1 192.266 0.670 10 0 ACAEMP CO[C@@]1(CC[NH3+])CC[N@H+](C2CC2)C1 257814532 573461845 /nfs/dbraw/zinc/46/18/45/573461845.db2.gz CKPZQHHPFHWLDY-JTQLQIEISA-N 2 1 184.283 0.589 10 0 ACAEMP CC1(C)C[NH2+][C@@H]([C@@H]2CCC[NH2+]C2)OC1 258377611 573462327 /nfs/dbraw/zinc/46/23/27/573462327.db2.gz HBLPZYZQEHZQKT-NXEZZACHSA-N 2 1 198.310 0.958 10 0 ACAEMP CC(C)[C@@H]1CC[N@@H+]([C@@H](C[NH3+])CO)C1 130175552 573463194 /nfs/dbraw/zinc/46/31/94/573463194.db2.gz IYNBSYVEMMYABF-ZJUUUORDSA-N 2 1 186.299 0.284 10 0 ACAEMP C[C@H]([N@H+](C)[C@@H](C[NH3+])CO)C(C)(C)C 130076834 573461522 /nfs/dbraw/zinc/46/15/22/573461522.db2.gz IUBYNAAQOYTQCP-IUCAKERBSA-N 2 1 188.315 0.672 10 0 ACAEMP C[C@H]([N@@H+](C)[C@@H](C[NH3+])CO)C(C)(C)C 130076834 573461523 /nfs/dbraw/zinc/46/15/23/573461523.db2.gz IUBYNAAQOYTQCP-IUCAKERBSA-N 2 1 188.315 0.672 10 0 ACAEMP C[C@@H]1C[NH2+][C@@H]([C@@H]2CCC[NH2+]C2)OC1 258377586 573461629 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0.004 10 0 ACAEMP C[C@@H]1C[NH2+][C@@](C)(C[C@@H]2CCC[NH2+]2)O1 258399953 573465966 /nfs/dbraw/zinc/46/59/66/573465966.db2.gz IJHOOBKCEHLUND-KXUCPTDWSA-N 2 1 184.283 0.853 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@H]([NH3+])CC[NH3+])C1 259462043 573466155 /nfs/dbraw/zinc/46/61/55/573466155.db2.gz RCSBBTNDWADFRI-BDAKNGLRSA-N 3 1 171.288 0.004 10 0 ACAEMP C[N@@H+]1CCC[C@@H]([C@@H](N)CC[NH3+])C1 259462043 573466161 /nfs/dbraw/zinc/46/61/61/573466161.db2.gz RCSBBTNDWADFRI-BDAKNGLRSA-N 2 1 171.288 0.004 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@H](N)CC[NH3+])C1 259462043 573466168 /nfs/dbraw/zinc/46/61/68/573466168.db2.gz RCSBBTNDWADFRI-BDAKNGLRSA-N 2 1 171.288 0.004 10 0 ACAEMP C[N@@H+](CC1CCCC1)[C@H](CN)CO 130114509 573466295 /nfs/dbraw/zinc/46/62/95/573466295.db2.gz NACYSRHWKKVUID-SNVBAGLBSA-N 2 1 186.299 0.428 10 0 ACAEMP C[N@H+]1CCC[C@@H]1Cc1oncc1C[NH3+] 258393207 573466596 /nfs/dbraw/zinc/46/65/96/573466596.db2.gz BGWOJPAJCKOLHZ-SECBINFHSA-N 2 1 195.266 0.770 10 0 ACAEMP 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2 1 174.288 0.426 10 0 ACAEMP C[N@H+]1CCC[C@@H]([NH2+]C/C=C/CO)CC1 717479035 573547035 /nfs/dbraw/zinc/54/70/35/573547035.db2.gz SCDCLYXLZNQXTI-KXMPLOMGSA-N 2 1 198.310 0.609 10 0 ACAEMP C[C@H]1CCC[N@H+]1C1CC([NH3+])C1 86658223 573547074 /nfs/dbraw/zinc/54/70/74/573547074.db2.gz BEDVQWYSAYCJGF-UEJVZZJDSA-N 2 1 154.257 0.960 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H]([NH3+])[C@@H]2CC[NH2+]C2)C1 259502311 573547153 /nfs/dbraw/zinc/54/71/53/573547153.db2.gz UNTZOJOZKHHGBT-VWYCJHECSA-N 3 1 197.326 0.265 10 0 ACAEMP C[N@@H+]1CCC[C@H]([C@@H](N)[C@@H]2CC[NH2+]C2)C1 259502311 573547159 /nfs/dbraw/zinc/54/71/59/573547159.db2.gz UNTZOJOZKHHGBT-VWYCJHECSA-N 2 1 197.326 0.265 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H](N)[C@@H]2CC[NH2+]C2)C1 259502311 573547162 /nfs/dbraw/zinc/54/71/62/573547162.db2.gz UNTZOJOZKHHGBT-VWYCJHECSA-N 2 1 197.326 0.265 10 0 ACAEMP C[C@@H](CN(C)C)[NH2+]C[C@H]1CCC[NH2+]C1 130339971 573547204 /nfs/dbraw/zinc/54/72/04/573547204.db2.gz OKLYEAYZUZCWKH-QWRGUYRKSA-N 2 1 199.342 0.526 10 0 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ACAEMP C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 130335331 573547420 /nfs/dbraw/zinc/54/74/20/573547420.db2.gz QWCFOSQJSLCEEW-VWYCJHECSA-N 2 1 199.342 0.796 10 0 ACAEMP C[NH2+]C[C@@H]1C[N@H+](C2CCCC2)CCN1 259119390 573547516 /nfs/dbraw/zinc/54/75/16/573547516.db2.gz CAJWAWFPUCENGE-SNVBAGLBSA-N 2 1 197.326 0.422 10 0 ACAEMP NC(=[NH2+])[C@@H]1C[N@@H+](C2CCCC2)CCO1 86656788 573547554 /nfs/dbraw/zinc/54/75/54/573547554.db2.gz SMZVOYYCFPXYKM-VIFPVBQESA-N 2 1 197.282 0.566 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@H]([NH3+])C2(CO)CC2)C1 259502719 573547555 /nfs/dbraw/zinc/54/75/55/573547555.db2.gz RANIBJFHMYOXMK-ZJUUUORDSA-N 2 1 198.310 0.428 10 0 ACAEMP NC(=[NH2+])[C@@H]1C[N@H+](C2CCCC2)CCO1 86656788 573547559 /nfs/dbraw/zinc/54/75/59/573547559.db2.gz SMZVOYYCFPXYKM-VIFPVBQESA-N 2 1 197.282 0.566 10 0 ACAEMP CC[C@H](C)[N@@H+]1CCO[C@H](C(N)=[NH2+])C1 86656783 573547588 /nfs/dbraw/zinc/54/75/88/573547588.db2.gz LBMMOWOMEOJIBO-YUMQZZPRSA-N 2 1 185.271 0.422 10 0 ACAEMP CC[C@H](C)[N@H+]1CCO[C@H](C(N)=[NH2+])C1 86656783 573547596 /nfs/dbraw/zinc/54/75/96/573547596.db2.gz LBMMOWOMEOJIBO-YUMQZZPRSA-N 2 1 185.271 0.422 10 0 ACAEMP CC[N@@H+](C)CCO[C@@H](C)C(=[NH2+])NO 393534151 573547763 /nfs/dbraw/zinc/54/77/63/573547763.db2.gz FZFXNFQZWGHIRR-ZETCQYMHSA-N 2 1 189.259 0.299 10 0 ACAEMP CNc1cc(NC[C@@H](C)[NH3+])nc[nH+]1 258768419 573547944 /nfs/dbraw/zinc/54/79/44/573547944.db2.gz YMACNFJFFPEULO-ZCFIWIBFSA-N 2 1 181.243 0.277 10 0 ACAEMP C[C@@]12CCC[NH2+][C@@]1(C)C[NH2+]C2 238436075 573548139 /nfs/dbraw/zinc/54/81/39/573548139.db2.gz RECMPBLKHCTEQI-IUCAKERBSA-N 2 1 154.257 0.738 10 0 ACAEMP C[C@@H]1C[NH2+][C@H](C[C@@H]2CCC[N@@H+]2C)O1 258771795 573548157 /nfs/dbraw/zinc/54/81/57/573548157.db2.gz WZQXIFCQKKKTQH-UTLUCORTSA-N 2 1 184.283 0.805 10 0 ACAEMP C[C@@H]1C[NH2+][C@H](C[C@@H]2CCC[N@H+]2C)O1 258771795 573548165 /nfs/dbraw/zinc/54/81/65/573548165.db2.gz WZQXIFCQKKKTQH-UTLUCORTSA-N 2 1 184.283 0.805 10 0 ACAEMP 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259120115 573550500 /nfs/dbraw/zinc/55/05/00/573550500.db2.gz PVJDJTYEDNCDOJ-JTQLQIEISA-N 3 1 197.326 0.409 10 0 ACAEMP C[N@H+]1CC[C@H](CC[NH2+]CC2([NH3+])CC2)C1 259120115 573550506 /nfs/dbraw/zinc/55/05/06/573550506.db2.gz PVJDJTYEDNCDOJ-JTQLQIEISA-N 3 1 197.326 0.409 10 0 ACAEMP CCO[C@@]1(C[NH2+]C)CC[N@@H+](CC)C1 257825618 573550572 /nfs/dbraw/zinc/55/05/72/573550572.db2.gz HEYZPVALGSXKOG-SNVBAGLBSA-N 2 1 186.299 0.707 10 0 ACAEMP C1CC([NH+]2CC3(CC3)C2)CC[NH2+]1 86662946 573550783 /nfs/dbraw/zinc/55/07/83/573550783.db2.gz VQCMMMXVMPKLEF-UHFFFAOYSA-N 2 1 166.268 0.834 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H]([NH3+])[C@H]2CC[NH2+]C2)C1 259502303 573550870 /nfs/dbraw/zinc/55/08/70/573550870.db2.gz UNTZOJOZKHHGBT-DCAQKATOSA-N 3 1 197.326 0.265 10 0 ACAEMP C[N@@H+]1CCC[C@H]([C@@H](N)[C@H]2CC[NH2+]C2)C1 259502303 573550874 /nfs/dbraw/zinc/55/08/74/573550874.db2.gz UNTZOJOZKHHGBT-DCAQKATOSA-N 2 1 197.326 0.265 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H](N)[C@H]2CC[NH2+]C2)C1 259502303 573550882 /nfs/dbraw/zinc/55/08/82/573550882.db2.gz UNTZOJOZKHHGBT-DCAQKATOSA-N 2 1 197.326 0.265 10 0 ACAEMP CCO[C@]1(C[NH2+]C)CC[N@@H+](CC)C1 257825616 573551135 /nfs/dbraw/zinc/55/11/35/573551135.db2.gz HEYZPVALGSXKOG-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP C[C@@H]1CC[N@H+]1C1CC[NH2+]CC1 86662937 573551162 /nfs/dbraw/zinc/55/11/62/573551162.db2.gz RVBDFIHUTJRGNS-MRVPVSSYSA-N 2 1 154.257 0.833 10 0 ACAEMP C[NH2+]C[C@@H](C1CCOCC1)[NH+](C)C 259121780 573551530 /nfs/dbraw/zinc/55/15/30/573551530.db2.gz RUHKGGFUZORSHH-JTQLQIEISA-N 2 1 186.299 0.563 10 0 ACAEMP CC[N@H+]1CCC[C@@](CC[NH3+])(OC)C1 257825605 573551622 /nfs/dbraw/zinc/55/16/22/573551622.db2.gz HEOYLABGBUZWNQ-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP C[C@@H]1CC[N@H+]1CCC[NH3+] 86663363 573551985 /nfs/dbraw/zinc/55/19/85/573551985.db2.gz SOMCTBBLHKQCPE-SSDOTTSWSA-N 2 1 128.219 0.429 10 0 ACAEMP C[C@@H]1C[NH2+][C@@H](C[C@@H]2CCC[N@@H+]2C)O1 258771751 573552008 /nfs/dbraw/zinc/55/20/08/573552008.db2.gz WZQXIFCQKKKTQH-KXUCPTDWSA-N 2 1 184.283 0.805 10 0 ACAEMP C[C@@H]1C[NH2+][C@@H](C[C@@H]2CCC[N@H+]2C)O1 258771751 573552014 /nfs/dbraw/zinc/55/20/14/573552014.db2.gz WZQXIFCQKKKTQH-KXUCPTDWSA-N 2 1 184.283 0.805 10 0 ACAEMP COC1(CC[NH2+][C@@H]2CC[NH2+]C2)CCC1 310345925 573552108 /nfs/dbraw/zinc/55/21/08/573552108.db2.gz PHTXKDLQBSZIIX-SNVBAGLBSA-N 2 1 198.310 0.897 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H]([NH3+])C2(CO)CC2)C1 259502715 573552268 /nfs/dbraw/zinc/55/22/68/573552268.db2.gz RANIBJFHMYOXMK-UWVGGRQHSA-N 2 1 198.310 0.428 10 0 ACAEMP C[NH2+]CCC[N@H+]1CC[C@@H]1C 86662962 573552483 /nfs/dbraw/zinc/55/24/83/573552483.db2.gz OUGMMMZWNMOKKX-QMMMGPOBSA-N 2 1 142.246 0.690 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H]([NH3+])[C@@H]2CC[NH2+]C2)C1 259502308 573552582 /nfs/dbraw/zinc/55/25/82/573552582.db2.gz UNTZOJOZKHHGBT-OUAUKWLOSA-N 3 1 197.326 0.265 10 0 ACAEMP C[N@@H+]1CCC[C@H]([C@H](N)[C@@H]2CC[NH2+]C2)C1 259502308 573552588 /nfs/dbraw/zinc/55/25/88/573552588.db2.gz UNTZOJOZKHHGBT-OUAUKWLOSA-N 2 1 197.326 0.265 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H](N)[C@@H]2CC[NH2+]C2)C1 259502308 573552591 /nfs/dbraw/zinc/55/25/91/573552591.db2.gz UNTZOJOZKHHGBT-OUAUKWLOSA-N 2 1 197.326 0.265 10 0 ACAEMP C[C@@H]1[NH2+]CCN[C@@H]1[C@H]1CCC[N@@H+](C)C1 259122788 573552612 /nfs/dbraw/zinc/55/26/12/573552612.db2.gz IVRZVZDCJGFHRT-DCAQKATOSA-N 2 1 197.326 0.278 10 0 ACAEMP C[C@@H]1C[NH2+][C@H](C[C@H]2CCC[N@@H+]2C)O1 258771735 573552666 /nfs/dbraw/zinc/55/26/66/573552666.db2.gz WZQXIFCQKKKTQH-BBBLOLIVSA-N 2 1 184.283 0.805 10 0 ACAEMP C[C@@H]1C[NH2+][C@H](C[C@H]2CCC[N@H+]2C)O1 258771735 573552671 /nfs/dbraw/zinc/55/26/71/573552671.db2.gz WZQXIFCQKKKTQH-BBBLOLIVSA-N 2 1 184.283 0.805 10 0 ACAEMP C[C@H](CO)[N@@H+](C)CCC[NH2+]C1CC1 124618962 573552873 /nfs/dbraw/zinc/55/28/73/573552873.db2.gz UFLZRKIGBSEUFY-SECBINFHSA-N 2 1 186.299 0.441 10 0 ACAEMP [NH3+]C1CC([NH+]2CC3(CC3)C2)C1 86662794 573553211 /nfs/dbraw/zinc/55/32/11/573553211.db2.gz UBPZACQMLMURHR-UHFFFAOYSA-N 2 1 152.241 0.572 10 0 ACAEMP C[C@H]1CC[N@H+]1CCC[NH3+] 86663364 573553317 /nfs/dbraw/zinc/55/33/17/573553317.db2.gz SOMCTBBLHKQCPE-ZETCQYMHSA-N 2 1 128.219 0.429 10 0 ACAEMP C[C@H]1CC[N@H+]1C1CC([NH3+])C1 86662781 573553431 /nfs/dbraw/zinc/55/34/31/573553431.db2.gz TZQCOJKQWSWEBA-KKMMWDRVSA-N 2 1 140.230 0.570 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@H]([NH3+])CC(C)(C)[NH3+])C1 259505899 573553464 /nfs/dbraw/zinc/55/34/64/573553464.db2.gz UUNCZDUTWNKWSD-ZJUUUORDSA-N 3 1 199.342 0.783 10 0 ACAEMP C[N@@H+]1CCC[C@@H]([C@@H](N)CC(C)(C)[NH3+])C1 259505899 573553468 /nfs/dbraw/zinc/55/34/68/573553468.db2.gz UUNCZDUTWNKWSD-ZJUUUORDSA-N 2 1 199.342 0.783 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@H](N)CC(C)(C)[NH3+])C1 259505899 573553475 /nfs/dbraw/zinc/55/34/75/573553475.db2.gz UUNCZDUTWNKWSD-ZJUUUORDSA-N 2 1 199.342 0.783 10 0 ACAEMP C[C@H]1CC[N@H+]1C1CC[NH2+]CC1 86662938 573553541 /nfs/dbraw/zinc/55/35/41/573553541.db2.gz RVBDFIHUTJRGNS-QMMMGPOBSA-N 2 1 154.257 0.833 10 0 ACAEMP C[C@@H]1[NH2+]CCN[C@H]1[C@H]1CCC[N@@H+](C)C1 259122793 573554575 /nfs/dbraw/zinc/55/45/75/573554575.db2.gz IVRZVZDCJGFHRT-GARJFASQSA-N 2 1 197.326 0.278 10 0 ACAEMP C[C@@H]([NH3+])CC[NH2+]Cc1ccccn1 258775583 573553609 /nfs/dbraw/zinc/55/36/09/573553609.db2.gz QDYVNYMFGRCWKZ-SECBINFHSA-N 2 1 179.267 0.909 10 0 ACAEMP C[NH2+]CCC[NH+]1CC(C)(C)C1 86662972 573554103 /nfs/dbraw/zinc/55/41/03/573554103.db2.gz KEAMJIXPYLCXKF-UHFFFAOYSA-N 2 1 156.273 0.938 10 0 ACAEMP C[C@@H]1[NH2+]CCN[C@H]1[C@@H]1CCC[N@@H+](C)C1 259122796 573554119 /nfs/dbraw/zinc/55/41/19/573554119.db2.gz IVRZVZDCJGFHRT-HBNTYKKESA-N 2 1 197.326 0.278 10 0 ACAEMP [NH3+]CC1=CC[N@H+](C2CC2)CC1 259121303 573554175 /nfs/dbraw/zinc/55/41/75/573554175.db2.gz HDMDRFTXRSZWOV-UHFFFAOYSA-N 2 1 152.241 0.740 10 0 ACAEMP CCCn1cc[nH+]c1C[C@H](O)CC[NH3+] 130365439 573554286 /nfs/dbraw/zinc/55/42/86/573554286.db2.gz GPBLYKZGMJBUQI-SECBINFHSA-N 2 1 197.282 0.545 10 0 ACAEMP C[C@H]([NH3+])CC[NH2+]Cc1ccccn1 258775585 573554395 /nfs/dbraw/zinc/55/43/95/573554395.db2.gz QDYVNYMFGRCWKZ-VIFPVBQESA-N 2 1 179.267 0.909 10 0 ACAEMP CN(C)CC[NH2+]CC[C@@H]1CCCC[NH2+]1 258775700 573554477 /nfs/dbraw/zinc/55/44/77/573554477.db2.gz QHASAFMIVQTUKR-NSHDSACASA-N 2 1 199.342 0.670 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCCN1CC1([NH3+])CC1 235615388 573554612 /nfs/dbraw/zinc/55/46/12/573554612.db2.gz BEJVYIJOLKJYRT-JTQLQIEISA-N 2 1 197.326 0.504 10 0 ACAEMP C[C@@H](C[NH3+])[N@@H+]1CC[C@@H]1C 86678891 573563453 /nfs/dbraw/zinc/56/34/53/573563453.db2.gz CPTUDKSRYHAFFI-BQBZGAKWSA-N 2 1 128.219 0.428 10 0 ACAEMP CC1C[NH+](C[C@@H]([NH3+])C(C)C)C1 86679309 573563513 /nfs/dbraw/zinc/56/35/13/573563513.db2.gz USXUVAJDTHYYLM-SECBINFHSA-N 2 1 156.273 0.921 10 0 ACAEMP C[NH2+]C[C@H]1CC[N@@H+](C)C[C@@H]1C 107399595 573565249 /nfs/dbraw/zinc/56/52/49/573565249.db2.gz JDIIGZCWNWKTNB-DTWKUNHWSA-N 2 1 156.273 0.794 10 0 ACAEMP CC[C@@H]1C[N@@H+](CCC2C[NH2+]C2)CCO1 129498203 573556560 /nfs/dbraw/zinc/55/65/60/573556560.db2.gz NTKDDRLPJZWTHG-LLVKDONJSA-N 2 1 198.310 0.707 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H](O)C[NH2+]C2CC2)C1 258060666 573557367 /nfs/dbraw/zinc/55/73/67/573557367.db2.gz IBRFKBRTNFBDFC-WPRPVWTQSA-N 2 1 184.283 0.051 10 0 ACAEMP CC1C[NH+]([C@@H](C[NH3+])C2CC2)C1 86679565 573557684 /nfs/dbraw/zinc/55/76/84/573557684.db2.gz LUQOTLYHEPZOLG-VIFPVBQESA-N 2 1 154.257 0.675 10 0 ACAEMP C[N@H+]1CC[C@H](/C=C\C[NH3+])C1 258060971 573557693 /nfs/dbraw/zinc/55/76/93/573557693.db2.gz DRRWOXBVZAHTEI-KZUAUGPASA-N 2 1 140.230 0.453 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H](O)C[NH2+]C2CC2)C1 258060661 573557851 /nfs/dbraw/zinc/55/78/51/573557851.db2.gz IBRFKBRTNFBDFC-WCBMZHEXSA-N 2 1 184.283 0.051 10 0 ACAEMP C[C@H]1CC[N@@H+]1[C@@H](C[NH3+])C1CC1 86679574 573558006 /nfs/dbraw/zinc/55/80/06/573558006.db2.gz NTVWMPKJBOJBHZ-CBAPKCEASA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H]1CC[N@H+]1[C@@H](C[NH3+])C1CC1 86679574 573558011 /nfs/dbraw/zinc/55/80/11/573558011.db2.gz NTVWMPKJBOJBHZ-CBAPKCEASA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1CO[C@H](CC[NH+]2CCCC2)[NH2+]1 258777048 573558222 /nfs/dbraw/zinc/55/82/22/573558222.db2.gz XDQJULIILFJEMI-NXEZZACHSA-N 2 1 184.283 0.807 10 0 ACAEMP CC1C[NH+](C[C@H]([NH3+])C(C)C)C1 86679307 573558247 /nfs/dbraw/zinc/55/82/47/573558247.db2.gz USXUVAJDTHYYLM-VIFPVBQESA-N 2 1 156.273 0.921 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H](O)C[NH2+]C2CC2)C1 258060656 573558272 /nfs/dbraw/zinc/55/82/72/573558272.db2.gz IBRFKBRTNFBDFC-SCZZXKLOSA-N 2 1 184.283 0.051 10 0 ACAEMP CC1C[NH+]([C@@H]2CCC[C@H]2[NH3+])C1 86678272 573558424 /nfs/dbraw/zinc/55/84/24/573558424.db2.gz NQLRRWGESLHBDR-RKDXNWHRSA-N 2 1 154.257 0.818 10 0 ACAEMP CNc1cc(NCC[C@@H](C)[NH3+])nc[nH+]1 258777495 573558445 /nfs/dbraw/zinc/55/84/45/573558445.db2.gz ZGRUYJOSUBBTMY-SSDOTTSWSA-N 2 1 195.270 0.668 10 0 ACAEMP CNc1cc(NCC[C@@H](C)[NH3+])[nH+]cn1 258777495 573558454 /nfs/dbraw/zinc/55/84/54/573558454.db2.gz ZGRUYJOSUBBTMY-SSDOTTSWSA-N 2 1 195.270 0.668 10 0 ACAEMP C[C@H]1CO[C@H](CC[NH+]2CCCC2)[NH2+]1 258777090 573558482 /nfs/dbraw/zinc/55/84/82/573558482.db2.gz XDQJULIILFJEMI-VHSXEESVSA-N 2 1 184.283 0.807 10 0 ACAEMP CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H]1C 86678960 573559211 /nfs/dbraw/zinc/55/92/11/573559211.db2.gz BVLGGBKRUUDNDS-JGVFFNPUSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[C@@H]([NH3+])C[N@H+]1CC[C@@H]1C 86678960 573559220 /nfs/dbraw/zinc/55/92/20/573559220.db2.gz BVLGGBKRUUDNDS-JGVFFNPUSA-N 2 1 142.246 0.818 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])C2(CCC2)C1 107398834 573561653 /nfs/dbraw/zinc/56/16/53/573561653.db2.gz SZUHNMMGMOCPJV-QMMMGPOBSA-N 2 1 154.257 0.820 10 0 ACAEMP C[C@H]1CN([C@@H]2CCC[N@H+]2C)CC[NH2+]1 258061980 573560791 /nfs/dbraw/zinc/56/07/91/573560791.db2.gz IWDXITVFRMXZNY-VHSXEESVSA-N 2 1 183.299 0.332 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCCN1CCC(N)=[NH2+] 235617443 573560889 /nfs/dbraw/zinc/56/08/89/573560889.db2.gz WYMYXWYDPUYIRH-VIFPVBQESA-N 2 1 198.314 0.338 10 0 ACAEMP CC[C@@H](O)C[N@H+]1CCC[C@H]1CN 238270957 573560898 /nfs/dbraw/zinc/56/08/98/573560898.db2.gz ZBLFPCCXYPTSOH-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@@H](O)CN1CCC[C@H]1C[NH3+] 238270957 573560905 /nfs/dbraw/zinc/56/09/05/573560905.db2.gz ZBLFPCCXYPTSOH-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] 238270957 573560910 /nfs/dbraw/zinc/56/09/10/573560910.db2.gz ZBLFPCCXYPTSOH-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH3+] 238270957 573560915 /nfs/dbraw/zinc/56/09/15/573560915.db2.gz ZBLFPCCXYPTSOH-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP CC1C[NH+]([C@H]2CCC[C@H]2[NH3+])C1 86678274 573561041 /nfs/dbraw/zinc/56/10/41/573561041.db2.gz NQLRRWGESLHBDR-BDAKNGLRSA-N 2 1 154.257 0.818 10 0 ACAEMP C[N@H+]1CC[C@@H](C[NH3+])C(C)(C)C1 107399601 573561492 /nfs/dbraw/zinc/56/14/92/573561492.db2.gz GXQPWXBDFOWXFS-QMMMGPOBSA-N 2 1 156.273 0.923 10 0 ACAEMP [NH3+]CC[C@H]1C[C@H]2CCC[N@H+]2C1 107398771 573561559 /nfs/dbraw/zinc/56/15/59/573561559.db2.gz JRTXDYSHLNWUGX-DTWKUNHWSA-N 2 1 154.257 0.820 10 0 ACAEMP C[N@@H+]1CC[C@H]([C@@H](N)CC(C)(C)[NH3+])C1 259508741 573561867 /nfs/dbraw/zinc/56/18/67/573561867.db2.gz UXQJHARDKCAEIL-IUCAKERBSA-N 2 1 185.315 0.393 10 0 ACAEMP C[C@H]1CO[C@@H](CC[NH+]2CCCC2)[NH2+]1 258777067 573561868 /nfs/dbraw/zinc/56/18/68/573561868.db2.gz XDQJULIILFJEMI-UWVGGRQHSA-N 2 1 184.283 0.807 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H](N)CC(C)(C)[NH3+])C1 259508738 573561838 /nfs/dbraw/zinc/56/18/38/573561838.db2.gz UXQJHARDKCAEIL-BDAKNGLRSA-N 2 1 185.315 0.393 10 0 ACAEMP C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 107399553 573561850 /nfs/dbraw/zinc/56/18/50/573561850.db2.gz NAMJWBCXSXHJDV-SECBINFHSA-N 2 1 156.273 0.938 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])CC(C)(C)[NH3+])C1 259508741 573561863 /nfs/dbraw/zinc/56/18/63/573561863.db2.gz UXQJHARDKCAEIL-IUCAKERBSA-N 3 1 185.315 0.393 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H](N)CC(C)(C)[NH3+])C1 259508741 573561875 /nfs/dbraw/zinc/56/18/75/573561875.db2.gz UXQJHARDKCAEIL-IUCAKERBSA-N 2 1 185.315 0.393 10 0 ACAEMP CC[C@@H](C[NH3+])[NH+]1CC(C)C1 86679630 573561982 /nfs/dbraw/zinc/56/19/82/573561982.db2.gz YYCOIRTVTWXQIM-QMMMGPOBSA-N 2 1 142.246 0.675 10 0 ACAEMP CN([C@@H]1CC[N@@H+](C)C1)C(C)(C)CC[NH3+] 258776113 573562076 /nfs/dbraw/zinc/56/20/76/573562076.db2.gz IBOHLLBIMRHRNO-SNVBAGLBSA-N 2 1 199.342 0.750 10 0 ACAEMP CC1C[NH+]([C@H](C[NH3+])C2CC2)C1 86679566 573562238 /nfs/dbraw/zinc/56/22/38/573562238.db2.gz LUQOTLYHEPZOLG-SECBINFHSA-N 2 1 154.257 0.675 10 0 ACAEMP C[NH2+]C[C@H]1CC[N@@H+](C)[C@H](C)C1 107399559 573562256 /nfs/dbraw/zinc/56/22/56/573562256.db2.gz AQENMUKGGBMTSN-BDAKNGLRSA-N 2 1 156.273 0.936 10 0 ACAEMP C[NH2+][C@H](C)C[C@H]1CC[N@@H+](C)C1 107399539 573562354 /nfs/dbraw/zinc/56/23/54/573562354.db2.gz JWYQSQDWKSIFPN-RKDXNWHRSA-N 2 1 156.273 0.936 10 0 ACAEMP C[C@@H]1CN([C@H]2CCC[N@H+]2C)CC[NH2+]1 258061982 573562391 /nfs/dbraw/zinc/56/23/91/573562391.db2.gz IWDXITVFRMXZNY-ZJUUUORDSA-N 2 1 183.299 0.332 10 0 ACAEMP C[C@@H]1C[N@@H+](C)C[C@H]2CC[NH2+][C@H]12 107398767 573562410 /nfs/dbraw/zinc/56/24/10/573562410.db2.gz FYCODGYILQQRSY-IWSPIJDZSA-N 2 1 154.257 0.546 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1CC[NH3+] 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573566853 /nfs/dbraw/zinc/56/68/53/573566853.db2.gz JHGZJUKFKPOSIB-SECBINFHSA-N 2 1 195.266 0.595 10 0 ACAEMP C[NH2+]CCCNC[C@@H]1CCC[N@@H+](C)C1 258778165 573568149 /nfs/dbraw/zinc/56/81/49/573568149.db2.gz OWPSMFRTIKLWTO-NSHDSACASA-N 3 1 199.342 0.527 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+]1CC[C@H]1C 86682185 573567884 /nfs/dbraw/zinc/56/78/84/573567884.db2.gz QVKYFWOQDYRNGL-JGVFFNPUSA-N 2 1 142.246 0.675 10 0 ACAEMP C[NH2+]C1(CCO)CC[NH+](C)CC1 83617170 573567895 /nfs/dbraw/zinc/56/78/95/573567895.db2.gz BXHJULVKCHWYCQ-UHFFFAOYSA-N 2 1 172.272 0.053 10 0 ACAEMP C[NH2+]CCC[NH2+]C[C@@H]1CCC[N@H+](C)C1 258778165 573568157 /nfs/dbraw/zinc/56/81/57/573568157.db2.gz OWPSMFRTIKLWTO-NSHDSACASA-N 3 1 199.342 0.527 10 0 ACAEMP C[C@H]1CC[N@H+]1CCCC[NH3+] 86682106 573567979 /nfs/dbraw/zinc/56/79/79/573567979.db2.gz DFCBUKZDCGCSBC-QMMMGPOBSA-N 2 1 142.246 0.820 10 0 ACAEMP CC1(C)CCC[N@H+]1C[C@H](O)CC[NH3+] 393537069 573568006 /nfs/dbraw/zinc/56/80/06/573568006.db2.gz IJTHIWBWKPTYLL-SECBINFHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[NH2+][C@@]1(CCO)CCC[N@@H+](C)CC1 83617151 573569448 /nfs/dbraw/zinc/56/94/48/573569448.db2.gz MWQREHGEZZUNFF-JTQLQIEISA-N 2 1 186.299 0.443 10 0 ACAEMP C[C@@H](CC[NH3+])[N@H+]1CC[C@H]1C 86681967 573569183 /nfs/dbraw/zinc/56/91/83/573569183.db2.gz QHJJSKDTLULLBP-JGVFFNPUSA-N 2 1 142.246 0.818 10 0 ACAEMP C[NH2+]C(C)(C)CN(C)[C@@H]1CC[N@@H+](C)C1 258777814 573569329 /nfs/dbraw/zinc/56/93/29/573569329.db2.gz BENLARYKKOYULD-SNVBAGLBSA-N 2 1 199.342 0.620 10 0 ACAEMP C[NH2+]C/C=C1\CC[N@@H+](C)C1 259113990 573572705 /nfs/dbraw/zinc/57/27/05/573572705.db2.gz FJMUNMRHMSDDMQ-FPYGCLRLSA-N 2 1 140.230 0.468 10 0 ACAEMP C1C[C@H]2C[C@H]([NH2+]C3CC3)C[N@H+]2C1 107403195 573572669 /nfs/dbraw/zinc/57/26/69/573572669.db2.gz MDBKEESPHXWPHR-UWVGGRQHSA-N 2 1 166.268 0.975 10 0 ACAEMP C1C[C@H]2C[C@H]([NH2+]C3CC3)C[N@@H+]2C1 107403195 573572676 /nfs/dbraw/zinc/57/26/76/573572676.db2.gz MDBKEESPHXWPHR-UWVGGRQHSA-N 2 1 166.268 0.975 10 0 ACAEMP C[C@H](CN)[N@H+]1CC=CCC1 75423206 573570652 /nfs/dbraw/zinc/57/06/52/573570652.db2.gz KPUMGTGTCKPQEB-MRVPVSSYSA-N 2 1 140.230 0.596 10 0 ACAEMP C[N@H+]1CC[C@H](CNCC(C)(C)C[NH3+])C1 258778161 573570661 /nfs/dbraw/zinc/57/06/61/573570661.db2.gz OWLXGABGJOIWGG-SNVBAGLBSA-N 3 1 199.342 0.513 10 0 ACAEMP C[C@H](C[NH3+])[N@H+]1CC=CCC1 75423206 573570666 /nfs/dbraw/zinc/57/06/66/573570666.db2.gz KPUMGTGTCKPQEB-MRVPVSSYSA-N 2 1 140.230 0.596 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH2+]CC(C)(C)C[NH3+])C1 258778161 573570669 /nfs/dbraw/zinc/57/06/69/573570669.db2.gz OWLXGABGJOIWGG-SNVBAGLBSA-N 3 1 199.342 0.513 10 0 ACAEMP C[C@H](C[NH3+])[N@@H+]1CC=CCC1 75423206 573570670 /nfs/dbraw/zinc/57/06/70/573570670.db2.gz KPUMGTGTCKPQEB-MRVPVSSYSA-N 2 1 140.230 0.596 10 0 ACAEMP CC[C@H]([NH3+])C[N@H+]1CC=CCC1 75423208 573570937 /nfs/dbraw/zinc/57/09/37/573570937.db2.gz DNLTZJYJVAZBAP-VIFPVBQESA-N 2 1 154.257 0.986 10 0 ACAEMP CC[C@H]([NH3+])C[N@@H+]1CC=CCC1 75423208 573570940 /nfs/dbraw/zinc/57/09/40/573570940.db2.gz DNLTZJYJVAZBAP-VIFPVBQESA-N 2 1 154.257 0.986 10 0 ACAEMP C1C[C@@H]2C[C@@H]([NH2+]C3CC3)C[N@H+]2C1 107403197 573570981 /nfs/dbraw/zinc/57/09/81/573570981.db2.gz MDBKEESPHXWPHR-NXEZZACHSA-N 2 1 166.268 0.975 10 0 ACAEMP C1C[C@@H]2C[C@@H]([NH2+]C3CC3)C[N@@H+]2C1 107403197 573570985 /nfs/dbraw/zinc/57/09/85/573570985.db2.gz MDBKEESPHXWPHR-NXEZZACHSA-N 2 1 166.268 0.975 10 0 ACAEMP CC1=CC[N@H+]([C@H](C)CN)CC1 75423255 573571009 /nfs/dbraw/zinc/57/10/09/573571009.db2.gz FIBYCYVSILACRN-SECBINFHSA-N 2 1 154.257 0.986 10 0 ACAEMP CC1=CC[N@H+]([C@H](C)C[NH3+])CC1 75423255 573571021 /nfs/dbraw/zinc/57/10/21/573571021.db2.gz FIBYCYVSILACRN-SECBINFHSA-N 2 1 154.257 0.986 10 0 ACAEMP CC1=CC[N@@H+]([C@H](C)C[NH3+])CC1 75423255 573571024 /nfs/dbraw/zinc/57/10/24/573571024.db2.gz FIBYCYVSILACRN-SECBINFHSA-N 2 1 154.257 0.986 10 0 ACAEMP C1C[C@@H]2C[C@@H]3[NH2+]CC[C@H]3C[N@H+]2C1 107403166 573571427 /nfs/dbraw/zinc/57/14/27/573571427.db2.gz MTVVFKUQQHPIBP-AEJSXWLSSA-N 2 1 166.268 0.833 10 0 ACAEMP CC1=CC[N@H+]([C@@H](C)CN)CC1 75423254 573571616 /nfs/dbraw/zinc/57/16/16/573571616.db2.gz FIBYCYVSILACRN-VIFPVBQESA-N 2 1 154.257 0.986 10 0 ACAEMP CC1=CC[N@H+]([C@@H](C)C[NH3+])CC1 75423254 573571624 /nfs/dbraw/zinc/57/16/24/573571624.db2.gz FIBYCYVSILACRN-VIFPVBQESA-N 2 1 154.257 0.986 10 0 ACAEMP CC1=CC[N@@H+]([C@@H](C)C[NH3+])CC1 75423254 573571628 /nfs/dbraw/zinc/57/16/28/573571628.db2.gz FIBYCYVSILACRN-VIFPVBQESA-N 2 1 154.257 0.986 10 0 ACAEMP OCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 308634818 573571822 /nfs/dbraw/zinc/57/18/22/573571822.db2.gz AQEJJLWUVBHKRC-WDEREUQCSA-N 2 1 198.310 0.300 10 0 ACAEMP CC1=CC[N@@H+](CCC[NH3+])CC1 75423238 573572126 /nfs/dbraw/zinc/57/21/26/573572126.db2.gz SWYULFGXEDGDPP-UHFFFAOYSA-N 2 1 154.257 0.987 10 0 ACAEMP C1C[C@@H]2C[C@H]3[NH2+]CC[C@H]3C[N@H+]2C1 107403162 573572173 /nfs/dbraw/zinc/57/21/73/573572173.db2.gz MTVVFKUQQHPIBP-IVZWLZJFSA-N 2 1 166.268 0.833 10 0 ACAEMP C1C[C@@H]2C[C@H]([NH2+]C3CC3)C[N@H+]2C1 107403192 573572337 /nfs/dbraw/zinc/57/23/37/573572337.db2.gz MDBKEESPHXWPHR-VHSXEESVSA-N 2 1 166.268 0.975 10 0 ACAEMP CN[C@@H]([C@H]1CC[N@@H+](C)C1)[C@H](C)C[NH3+] 259514230 573572338 /nfs/dbraw/zinc/57/23/38/573572338.db2.gz RVDYVAYNZHDTLV-KXUCPTDWSA-N 3 1 185.315 0.121 10 0 ACAEMP C[NH2+][C@@H]([C@H]1CC[N@H+](C)C1)[C@H](C)C[NH3+] 259514230 573572342 /nfs/dbraw/zinc/57/23/42/573572342.db2.gz RVDYVAYNZHDTLV-KXUCPTDWSA-N 3 1 185.315 0.121 10 0 ACAEMP C1C[C@@H]2C[C@H]([NH2+]C3CC3)C[N@@H+]2C1 107403192 573572343 /nfs/dbraw/zinc/57/23/43/573572343.db2.gz MDBKEESPHXWPHR-VHSXEESVSA-N 2 1 166.268 0.975 10 0 ACAEMP C[NH2+][C@@H]([C@H]1CC[N@@H+](C)C1)[C@H](C)C[NH3+] 259514230 573572345 /nfs/dbraw/zinc/57/23/45/573572345.db2.gz RVDYVAYNZHDTLV-KXUCPTDWSA-N 3 1 185.315 0.121 10 0 ACAEMP CN[C@H]([C@@H](C)C[NH3+])[C@@H]1CC[N@@H+](C)C1 259514228 573572361 /nfs/dbraw/zinc/57/23/61/573572361.db2.gz RVDYVAYNZHDTLV-IVZWLZJFSA-N 3 1 185.315 0.121 10 0 ACAEMP C[NH2+][C@H]([C@@H](C)C[NH3+])[C@@H]1CC[N@H+](C)C1 259514228 573572365 /nfs/dbraw/zinc/57/23/65/573572365.db2.gz RVDYVAYNZHDTLV-IVZWLZJFSA-N 3 1 185.315 0.121 10 0 ACAEMP C[NH2+][C@H]([C@@H](C)C[NH3+])[C@@H]1CC[N@@H+](C)C1 259514228 573572370 /nfs/dbraw/zinc/57/23/70/573572370.db2.gz RVDYVAYNZHDTLV-IVZWLZJFSA-N 3 1 185.315 0.121 10 0 ACAEMP OCCCC[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]2C1 308634817 573572394 /nfs/dbraw/zinc/57/23/94/573572394.db2.gz AQEJJLWUVBHKRC-QWRGUYRKSA-N 2 1 198.310 0.300 10 0 ACAEMP C1C[C@@H]2C[C@@]3(CC[NH2+]C3)C[N@H+]2C1 107403172 573572473 /nfs/dbraw/zinc/57/24/73/573572473.db2.gz NRODXTDYNISAED-NXEZZACHSA-N 2 1 166.268 0.834 10 0 ACAEMP CC(C)[N@H+]1CC[C@@H](N2CC([NH3+])C2)C1 83634092 573572570 /nfs/dbraw/zinc/57/25/70/573572570.db2.gz VIDPHMPHBZMHDK-SNVBAGLBSA-N 2 1 183.299 0.112 10 0 ACAEMP C[N@H+]1CCC[C@@H](N2CC([NH3+])C2)CC1 83634512 573572803 /nfs/dbraw/zinc/57/28/03/573572803.db2.gz PYDPYPAFHATMSD-SNVBAGLBSA-N 2 1 183.299 0.114 10 0 ACAEMP OCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 308634816 573572609 /nfs/dbraw/zinc/57/26/09/573572609.db2.gz AQEJJLWUVBHKRC-MNOVXSKESA-N 2 1 198.310 0.300 10 0 ACAEMP C[NH2+][C@H]([C@H](C)C[NH3+])[C@@H]1CC[N@H+](C)C1 259515165 573574835 /nfs/dbraw/zinc/57/48/35/573574835.db2.gz RVDYVAYNZHDTLV-OPRDCNLKSA-N 3 1 185.315 0.121 10 0 ACAEMP C[NH2+][C@H]([C@H](C)C[NH3+])[C@@H]1CC[N@@H+](C)C1 259515165 573574836 /nfs/dbraw/zinc/57/48/36/573574836.db2.gz RVDYVAYNZHDTLV-OPRDCNLKSA-N 3 1 185.315 0.121 10 0 ACAEMP C1C[C@@H]2[C@H]([NH2+]C3CC3)CC[N@@H+]2C1 107403182 573574721 /nfs/dbraw/zinc/57/47/21/573574721.db2.gz QVVXNTAAMGFJLS-NXEZZACHSA-N 2 1 166.268 0.975 10 0 ACAEMP C1C[C@@H]2[C@H]([NH2+]C3CC3)CC[N@H+]2C1 107403182 573574724 /nfs/dbraw/zinc/57/47/24/573574724.db2.gz QVVXNTAAMGFJLS-NXEZZACHSA-N 2 1 166.268 0.975 10 0 ACAEMP C[N@@H+]1CCC[C@H]1NC[C@@H]1CCC[NH2+]C1 257832474 573574764 /nfs/dbraw/zinc/57/47/64/573574764.db2.gz JURWFMDIPSOXRX-MNOVXSKESA-N 2 1 197.326 0.627 10 0 ACAEMP C[N@H+]1CCC[C@H]1NC[C@@H]1CCC[NH2+]C1 257832474 573574771 /nfs/dbraw/zinc/57/47/71/573574771.db2.gz JURWFMDIPSOXRX-MNOVXSKESA-N 2 1 197.326 0.627 10 0 ACAEMP C[N@H+]1CCCC[C@H]1CCN1CC([NH3+])C1 83635873 573574053 /nfs/dbraw/zinc/57/40/53/573574053.db2.gz RRDPRWGDHQJZME-NSHDSACASA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@@H+]1CCC[C@@H]1NC[C@@H]1CCC[NH2+]C1 257832473 573574069 /nfs/dbraw/zinc/57/40/69/573574069.db2.gz JURWFMDIPSOXRX-GHMZBOCLSA-N 2 1 197.326 0.627 10 0 ACAEMP C[N@H+]1CCC[C@@H]1NC[C@@H]1CCC[NH2+]C1 257832473 573574074 /nfs/dbraw/zinc/57/40/74/573574074.db2.gz JURWFMDIPSOXRX-GHMZBOCLSA-N 2 1 197.326 0.627 10 0 ACAEMP CNc1cc(N(C)C[C@@H](C)[NH3+])nc[nH+]1 258783888 573574097 /nfs/dbraw/zinc/57/40/97/573574097.db2.gz RQXUJBLGNFXJTP-SSDOTTSWSA-N 2 1 195.270 0.302 10 0 ACAEMP C1C[C@H]2[C@H]([NH2+]C3CC3)CC[N@@H+]2C1 107403185 573574276 /nfs/dbraw/zinc/57/42/76/573574276.db2.gz QVVXNTAAMGFJLS-ZJUUUORDSA-N 2 1 166.268 0.975 10 0 ACAEMP C1C[C@H]2[C@H]([NH2+]C3CC3)CC[N@H+]2C1 107403185 573574281 /nfs/dbraw/zinc/57/42/81/573574281.db2.gz QVVXNTAAMGFJLS-ZJUUUORDSA-N 2 1 166.268 0.975 10 0 ACAEMP C1C[C@@H]2[C@@H]([NH2+]C3CC3)CC[N@@H+]2C1 107403188 573574328 /nfs/dbraw/zinc/57/43/28/573574328.db2.gz QVVXNTAAMGFJLS-VHSXEESVSA-N 2 1 166.268 0.975 10 0 ACAEMP C1C[C@@H]2[C@@H]([NH2+]C3CC3)CC[N@H+]2C1 107403188 573574331 /nfs/dbraw/zinc/57/43/31/573574331.db2.gz QVVXNTAAMGFJLS-VHSXEESVSA-N 2 1 166.268 0.975 10 0 ACAEMP C1C[C@H]2C[C@@]3(CC[NH2+]C3)C[N@H+]2C1 107403175 573574394 /nfs/dbraw/zinc/57/43/94/573574394.db2.gz NRODXTDYNISAED-VHSXEESVSA-N 2 1 166.268 0.834 10 0 ACAEMP C[N@H+]1CCC[C@H](N2CC([NH3+])C2)CC1 83634510 573574504 /nfs/dbraw/zinc/57/45/04/573574504.db2.gz PYDPYPAFHATMSD-JTQLQIEISA-N 2 1 183.299 0.114 10 0 ACAEMP C1C[C@H]2C[C@@H]([NH2+]C3CC3)C[N@H+]2C1 107403200 573574560 /nfs/dbraw/zinc/57/45/60/573574560.db2.gz MDBKEESPHXWPHR-ZJUUUORDSA-N 2 1 166.268 0.975 10 0 ACAEMP C1C[C@H]2C[C@@H]([NH2+]C3CC3)C[N@@H+]2C1 107403200 573574566 /nfs/dbraw/zinc/57/45/66/573574566.db2.gz MDBKEESPHXWPHR-ZJUUUORDSA-N 2 1 166.268 0.975 10 0 ACAEMP C[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]2[C@@H]1[NH3+] 238445096 573574586 /nfs/dbraw/zinc/57/45/86/573574586.db2.gz CKXILTLOVJUCJY-DOLQZWNJSA-N 2 1 168.284 0.921 10 0 ACAEMP CN[C@H]([C@@H](C)C[NH3+])[C@H]1CC[N@@H+](C)C1 259515162 573574640 /nfs/dbraw/zinc/57/46/40/573574640.db2.gz RVDYVAYNZHDTLV-LPEHRKFASA-N 2 1 185.315 0.121 10 0 ACAEMP C[NH2+][C@H]([C@@H](C)C[NH3+])[C@H]1CC[N@H+](C)C1 259515162 573574643 /nfs/dbraw/zinc/57/46/43/573574643.db2.gz RVDYVAYNZHDTLV-LPEHRKFASA-N 3 1 185.315 0.121 10 0 ACAEMP C[NH2+][C@H]([C@@H](C)C[NH3+])[C@H]1CC[N@@H+](C)C1 259515162 573574652 /nfs/dbraw/zinc/57/46/52/573574652.db2.gz RVDYVAYNZHDTLV-LPEHRKFASA-N 3 1 185.315 0.121 10 0 ACAEMP CN[C@H]([C@H](C)C[NH3+])[C@@H]1CC[N@@H+](C)C1 259515165 573574828 /nfs/dbraw/zinc/57/48/28/573574828.db2.gz RVDYVAYNZHDTLV-OPRDCNLKSA-N 2 1 185.315 0.121 10 0 ACAEMP C[N@H+]1C[C@H]2CC[NH2+][C@@H]2C(C)(C)C1 107404443 573575800 /nfs/dbraw/zinc/57/58/00/573575800.db2.gz ISYMPFVKEVQYDX-BDAKNGLRSA-N 2 1 168.284 0.936 10 0 ACAEMP c1nc(C[NH2+]CC2CC[NH2+]CC2)c[nH]1 86701469 573575829 /nfs/dbraw/zinc/57/58/29/573575829.db2.gz COUOFCTUUGEGMV-UHFFFAOYSA-N 3 1 194.282 0.499 10 0 ACAEMP C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])N1CCC1 214912302 573575833 /nfs/dbraw/zinc/57/58/33/573575833.db2.gz WLAPAXSJRVSPOI-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])N1CCC1 214912302 573575838 /nfs/dbraw/zinc/57/58/38/573575838.db2.gz WLAPAXSJRVSPOI-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP COC[C@H](C)C[N@@H+](C)CC[C@H](C)[NH3+] 308401954 573576624 /nfs/dbraw/zinc/57/66/24/573576624.db2.gz IWAPXDJPFVMZNC-ZJUUUORDSA-N 2 1 188.315 0.938 10 0 ACAEMP C[N@H+]1CCC[C@@H]1[C@@H](C[NH3+])N1CCCC1 214913144 573576066 /nfs/dbraw/zinc/57/60/66/573576066.db2.gz MASBQKZVQSZHNX-GHMZBOCLSA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@@H+]1CCC[C@@H]([C@@H]2[NH2+]CCO2)C1 258065413 573576192 /nfs/dbraw/zinc/57/61/92/573576192.db2.gz GUZMAWUGCWEGPC-RKDXNWHRSA-N 2 1 170.256 0.274 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@H]2[NH2+]CCO2)C1 258065413 573576199 /nfs/dbraw/zinc/57/61/99/573576199.db2.gz GUZMAWUGCWEGPC-RKDXNWHRSA-N 2 1 170.256 0.274 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H](C[NH3+])N2CCC2)C1 214912592 573576204 /nfs/dbraw/zinc/57/62/04/573576204.db2.gz MGTOBRSXKWQXOX-WDEREUQCSA-N 2 1 197.326 0.361 10 0 ACAEMP CC[N@H+]1CCC[C@@H](N2CC([NH3+])C2)CC1 83634729 573576238 /nfs/dbraw/zinc/57/62/38/573576238.db2.gz HUECQEHMFMBAGF-LLVKDONJSA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])N1CCC1 214912256 573576415 /nfs/dbraw/zinc/57/64/15/573576415.db2.gz WLAPAXSJRVSPOI-GHMZBOCLSA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])N1CCC1 214912256 573576422 /nfs/dbraw/zinc/57/64/22/573576422.db2.gz WLAPAXSJRVSPOI-GHMZBOCLSA-N 2 1 197.326 0.504 10 0 ACAEMP C[C@@H]1CC[C@@H](O)[C@@H]([NH2+]CC[NH3+])C1 238444820 573576479 /nfs/dbraw/zinc/57/64/79/573576479.db2.gz IHCCHKJGRWTTIT-HRDYMLBCSA-N 2 1 172.272 0.084 10 0 ACAEMP C[N@H+]1CC[C@@H](NCC(C)(C)C[NH3+])C1 258791405 573577719 /nfs/dbraw/zinc/57/77/19/573577719.db2.gz QEIJRGHJXWHXOG-SECBINFHSA-N 2 1 185.315 0.265 10 0 ACAEMP CN1CC[C@@H]([NH2+]CC(C)(C)C[NH3+])C1 258791405 573577723 /nfs/dbraw/zinc/57/77/23/573577723.db2.gz QEIJRGHJXWHXOG-SECBINFHSA-N 2 1 185.315 0.265 10 0 ACAEMP C[NH2+]CNC[C@H]1CCC[N@@H+](C)C1 258790884 573577995 /nfs/dbraw/zinc/57/79/95/573577995.db2.gz CJJOUTADYUTTII-SECBINFHSA-N 2 1 171.288 0.095 10 0 ACAEMP C[N@@H+]1CCC[C@@H](NCCC(C)(C)[NH3+])C1 258789565 573578028 /nfs/dbraw/zinc/57/80/28/573578028.db2.gz PXRQQSRMPNWMME-SNVBAGLBSA-N 2 1 199.342 0.798 10 0 ACAEMP C[N@H+]1CCC[C@@H](NCCC(C)(C)[NH3+])C1 258789565 573578031 /nfs/dbraw/zinc/57/80/31/573578031.db2.gz PXRQQSRMPNWMME-SNVBAGLBSA-N 2 1 199.342 0.798 10 0 ACAEMP CC[NH+]1CCC([C@@H]([NH3+])C[NH3+])CC1 258065586 573578161 /nfs/dbraw/zinc/57/81/61/573578161.db2.gz IHTCWCFSIJLGGU-VIFPVBQESA-N 3 1 171.288 0.004 10 0 ACAEMP COC[C@@H](C)C[N@@H+](C)CC[C@@H](C)[NH3+] 308401951 573578305 /nfs/dbraw/zinc/57/83/05/573578305.db2.gz IWAPXDJPFVMZNC-VHSXEESVSA-N 2 1 188.315 0.938 10 0 ACAEMP C[C@@H]1C[N@@H+](C)C[C@H]2CCC[NH2+][C@H]12 107404434 573578368 /nfs/dbraw/zinc/57/83/68/573578368.db2.gz PQMCJYUGLQUSCM-OPRDCNLKSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@@H]1C[NH2+][C@H](CCN(C)C)O1 258409347 573578384 /nfs/dbraw/zinc/57/83/84/573578384.db2.gz IQXZPMNJCLADCR-SFYZADRCSA-N 2 1 158.245 0.273 10 0 ACAEMP CC[NH+]1CCC([C@H]([NH3+])C[NH3+])CC1 258065584 573578408 /nfs/dbraw/zinc/57/84/08/573578408.db2.gz IHTCWCFSIJLGGU-SECBINFHSA-N 3 1 171.288 0.004 10 0 ACAEMP C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C(C)(C)C1 107404445 573578484 /nfs/dbraw/zinc/57/84/84/573578484.db2.gz ISYMPFVKEVQYDX-IUCAKERBSA-N 2 1 168.284 0.936 10 0 ACAEMP C[N@@H+]1CCC[C@H](NCCC(C)(C)[NH3+])C1 258789562 573578906 /nfs/dbraw/zinc/57/89/06/573578906.db2.gz PXRQQSRMPNWMME-JTQLQIEISA-N 2 1 199.342 0.798 10 0 ACAEMP C[N@H+]1CCC[C@H](NCCC(C)(C)[NH3+])C1 258789562 573578910 /nfs/dbraw/zinc/57/89/10/573578910.db2.gz PXRQQSRMPNWMME-JTQLQIEISA-N 2 1 199.342 0.798 10 0 ACAEMP C[C@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238440460 573579161 /nfs/dbraw/zinc/57/91/61/573579161.db2.gz SSYKFVMMELQRAZ-QEYWKRMJSA-N 2 1 184.283 0.321 10 0 ACAEMP C[NH2+]CN(C)CC[C@@H]1CC[N@@H+](C)C1 258795094 573579409 /nfs/dbraw/zinc/57/94/09/573579409.db2.gz CTWSOSQUCFTCLF-JTQLQIEISA-N 2 1 185.315 0.437 10 0 ACAEMP [NH3+]C1(C[NH2+]CC2CCC2)CC1 259114247 573579468 /nfs/dbraw/zinc/57/94/68/573579468.db2.gz PKVSOFJCOFQFHM-UHFFFAOYSA-N 2 1 154.257 0.867 10 0 ACAEMP C[N@@H+]1CCC[C@@H]([C@H]2[NH2+]CCO2)C1 258065396 573579593 /nfs/dbraw/zinc/57/95/93/573579593.db2.gz GUZMAWUGCWEGPC-BDAKNGLRSA-N 2 1 170.256 0.274 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@H]2[NH2+]CCO2)C1 258065396 573579599 /nfs/dbraw/zinc/57/95/99/573579599.db2.gz GUZMAWUGCWEGPC-BDAKNGLRSA-N 2 1 170.256 0.274 10 0 ACAEMP CC1(C)C[NH2+][C@H](C[C@@H]2CCC[NH2+]2)O1 258409507 573579798 /nfs/dbraw/zinc/57/97/98/573579798.db2.gz IRPFFNFKSJVHPK-IUCAKERBSA-N 2 1 184.283 0.853 10 0 ACAEMP C[C@H](CC[NH3+])C[NH2+]C[C@H]1CC[N@@H+](C)C1 258795224 573580054 /nfs/dbraw/zinc/58/00/54/573580054.db2.gz CHEDOYHRBZEDIO-GHMZBOCLSA-N 3 1 199.342 0.513 10 0 ACAEMP C[C@H](CC[NH3+])C[NH2+]C[C@H]1CCN(C)C1 258795224 573580059 /nfs/dbraw/zinc/58/00/59/573580059.db2.gz CHEDOYHRBZEDIO-GHMZBOCLSA-N 2 1 199.342 0.513 10 0 ACAEMP CC1(C)C[NH2+][C@H](C[C@H]2CCC[NH2+]2)O1 258409473 573580188 /nfs/dbraw/zinc/58/01/88/573580188.db2.gz IRPFFNFKSJVHPK-BDAKNGLRSA-N 2 1 184.283 0.853 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@H](C[NH3+])N2CCC2)C1 214912636 573580244 /nfs/dbraw/zinc/58/02/44/573580244.db2.gz MGTOBRSXKWQXOX-GHMZBOCLSA-N 2 1 197.326 0.361 10 0 ACAEMP CCn1cc[nH+]c1C[C@H](O)C(C)(C)[NH3+] 308639707 573580331 /nfs/dbraw/zinc/58/03/31/573580331.db2.gz COIWKKXNADBYRJ-QMMMGPOBSA-N 2 1 197.282 0.544 10 0 ACAEMP COC[C@@H](C)C[N@@H+](C)CC[C@H](C)[NH3+] 308401678 573580389 /nfs/dbraw/zinc/58/03/89/573580389.db2.gz IWAPXDJPFVMZNC-UWVGGRQHSA-N 2 1 188.315 0.938 10 0 ACAEMP C[NH2+]C(C)(C)CN[C@@H]1CC[N@@H+](C)C1 258789350 573580410 /nfs/dbraw/zinc/58/04/10/573580410.db2.gz CIIQSYKDFXYNIS-SECBINFHSA-N 2 1 185.315 0.278 10 0 ACAEMP OCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 308639666 573580644 /nfs/dbraw/zinc/58/06/44/573580644.db2.gz CMCVEMNYVPTNGM-GHMZBOCLSA-N 2 1 198.310 0.300 10 0 ACAEMP CC1(C)C[NH2+][C@@H](C[C@@H]2CCC[NH2+]2)O1 258409486 573580719 /nfs/dbraw/zinc/58/07/19/573580719.db2.gz IRPFFNFKSJVHPK-DTWKUNHWSA-N 2 1 184.283 0.853 10 0 ACAEMP C[NH2+]C[C@@H]([C@H]1CCC[N@@H+](C)C1)N(C)C 259115665 573582973 /nfs/dbraw/zinc/58/29/73/573582973.db2.gz RKGTUDQFMUNFPT-QWRGUYRKSA-N 2 1 199.342 0.478 10 0 ACAEMP C[C@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238440443 573580980 /nfs/dbraw/zinc/58/09/80/573580980.db2.gz SSYKFVMMELQRAZ-AATLWQCWSA-N 2 1 184.283 0.321 10 0 ACAEMP C[C@H](C[NH3+])CN(C)[C@@H]1CC[N@@H+](C)C1 258803312 573580999 /nfs/dbraw/zinc/58/09/99/573580999.db2.gz RPPAMHWDVZIYKS-NXEZZACHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1CCN(C)C1 258803312 573581007 /nfs/dbraw/zinc/58/10/07/573581007.db2.gz RPPAMHWDVZIYKS-NXEZZACHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCN(C)C1 258803312 573581013 /nfs/dbraw/zinc/58/10/13/573581013.db2.gz RPPAMHWDVZIYKS-NXEZZACHSA-N 2 1 185.315 0.217 10 0 ACAEMP CC1(C)CO[C@H](C[C@H]2CCC[NH2+]2)[NH2+]1 258799304 573581062 /nfs/dbraw/zinc/58/10/62/573581062.db2.gz YAOVMMGDMMHRCS-RKDXNWHRSA-N 2 1 184.283 0.853 10 0 ACAEMP CNCC[NH2+]CC[C@H]1CCC[N@@H+](C)C1 258803388 573581113 /nfs/dbraw/zinc/58/11/13/573581113.db2.gz RQMJEFQYBSJVQL-LLVKDONJSA-N 2 1 199.342 0.527 10 0 ACAEMP C[NH2+]CC[NH2+]CC[C@H]1CCC[N@H+](C)C1 258803388 573581119 /nfs/dbraw/zinc/58/11/19/573581119.db2.gz RQMJEFQYBSJVQL-LLVKDONJSA-N 3 1 199.342 0.527 10 0 ACAEMP C[NH2+]CC[NH2+]CC[C@H]1CCC[N@@H+](C)C1 258803388 573581126 /nfs/dbraw/zinc/58/11/26/573581126.db2.gz RQMJEFQYBSJVQL-LLVKDONJSA-N 3 1 199.342 0.527 10 0 ACAEMP C[NH2+]CCNCC[C@H]1CCC[N@H+](C)C1 258803388 573581130 /nfs/dbraw/zinc/58/11/30/573581130.db2.gz RQMJEFQYBSJVQL-LLVKDONJSA-N 2 1 199.342 0.527 10 0 ACAEMP C[NH2+]CCNCC[C@H]1CCC[N@@H+](C)C1 258803388 573581136 /nfs/dbraw/zinc/58/11/36/573581136.db2.gz RQMJEFQYBSJVQL-LLVKDONJSA-N 2 1 199.342 0.527 10 0 ACAEMP C[NH2+][C@H](CCC[NH3+])[C@@H]1CC[N@@H+](C)C1 259115837 573581164 /nfs/dbraw/zinc/58/11/64/573581164.db2.gz BASSMQNVDJCPGV-NXEZZACHSA-N 3 1 185.315 0.265 10 0 ACAEMP C[NH2+][C@H](CCC[NH3+])[C@@H]1CCN(C)C1 259115837 573581170 /nfs/dbraw/zinc/58/11/70/573581170.db2.gz BASSMQNVDJCPGV-NXEZZACHSA-N 2 1 185.315 0.265 10 0 ACAEMP CC1(C)C[NH2+][C@@H](C[C@H]2CCC[NH2+]2)O1 258409519 573581214 /nfs/dbraw/zinc/58/12/14/573581214.db2.gz IRPFFNFKSJVHPK-RKDXNWHRSA-N 2 1 184.283 0.853 10 0 ACAEMP C[NH2+]C[C@@H]([C@@H]1CCC[N@@H+](C)C1)N(C)C 259115663 573583451 /nfs/dbraw/zinc/58/34/51/573583451.db2.gz RKGTUDQFMUNFPT-MNOVXSKESA-N 2 1 199.342 0.478 10 0 ACAEMP C[C@@H](C[NH3+])CN(C)[C@H]1CC[N@@H+](C)C1 258803317 573581267 /nfs/dbraw/zinc/58/12/67/573581267.db2.gz RPPAMHWDVZIYKS-UWVGGRQHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1CCN(C)C1 258803317 573581273 /nfs/dbraw/zinc/58/12/73/573581273.db2.gz RPPAMHWDVZIYKS-UWVGGRQHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCN(C)C1 258803317 573581277 /nfs/dbraw/zinc/58/12/77/573581277.db2.gz RPPAMHWDVZIYKS-UWVGGRQHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])C1 258804510 573581325 /nfs/dbraw/zinc/58/13/25/573581325.db2.gz CHBOTCGSJILXTH-OUAUKWLOSA-N 2 1 197.326 0.408 10 0 ACAEMP C[C@H](C[NH3+])C[C@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 259115274 573581727 /nfs/dbraw/zinc/58/17/27/573581727.db2.gz BQHPIUCSZPYZCY-DCAQKATOSA-N 3 1 199.342 0.640 10 0 ACAEMP C[C@H]1C[NH2+][C@@H](CCN(C)C)O1 258409341 573581917 /nfs/dbraw/zinc/58/19/17/573581917.db2.gz IQXZPMNJCLADCR-JGVFFNPUSA-N 2 1 158.245 0.273 10 0 ACAEMP C[C@@H]1[C@@H]2COCC[C@@H]2[NH2+]CC[N@H+]1C 238441070 573581956 /nfs/dbraw/zinc/58/19/56/573581956.db2.gz OFQJGIVFQNKVER-UTLUCORTSA-N 2 1 184.283 0.315 10 0 ACAEMP C[C@H]1C[NH2+][C@H](CCN(C)C)O1 258409353 573582011 /nfs/dbraw/zinc/58/20/11/573582011.db2.gz IQXZPMNJCLADCR-YUMQZZPRSA-N 2 1 158.245 0.273 10 0 ACAEMP C[N@H+]1CC[C@H](CN[C@H]2CCC[C@@H]2[NH3+])C1 258804513 573582143 /nfs/dbraw/zinc/58/21/43/573582143.db2.gz CHBOTCGSJILXTH-VWYCJHECSA-N 2 1 197.326 0.408 10 0 ACAEMP CN1CC[NH2+]C[C@H]1C[NH2+]CC1CCC1 258807442 573583492 /nfs/dbraw/zinc/58/34/92/573583492.db2.gz BEUSWXNYOLRWCF-NSHDSACASA-N 2 1 197.326 0.280 10 0 ACAEMP C[C@H]([NH3+])C[NH2+]CC[C@H]1CC[N@@H+](C)C1 258807031 573582197 /nfs/dbraw/zinc/58/21/97/573582197.db2.gz SAAVXZUPKCXJSS-UWVGGRQHSA-N 3 1 185.315 0.265 10 0 ACAEMP C[C@H](N)C[NH2+]CC[C@H]1CC[N@H+](C)C1 258807031 573582201 /nfs/dbraw/zinc/58/22/01/573582201.db2.gz SAAVXZUPKCXJSS-UWVGGRQHSA-N 2 1 185.315 0.265 10 0 ACAEMP C[C@H](N)C[NH2+]CC[C@H]1CC[N@@H+](C)C1 258807031 573582206 /nfs/dbraw/zinc/58/22/06/573582206.db2.gz SAAVXZUPKCXJSS-UWVGGRQHSA-N 2 1 185.315 0.265 10 0 ACAEMP OCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 308639667 573582451 /nfs/dbraw/zinc/58/24/51/573582451.db2.gz CMCVEMNYVPTNGM-MNOVXSKESA-N 2 1 198.310 0.300 10 0 ACAEMP C[N@H+]1CC[C@H](CN[C@H]2CCC[C@H]2[NH3+])C1 258804506 573582506 /nfs/dbraw/zinc/58/25/06/573582506.db2.gz CHBOTCGSJILXTH-MXWKQRLJSA-N 2 1 197.326 0.408 10 0 ACAEMP C[C@H](C[NH3+])C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 259115272 573582629 /nfs/dbraw/zinc/58/26/29/573582629.db2.gz BQHPIUCSZPYZCY-AXFHLTTASA-N 3 1 199.342 0.640 10 0 ACAEMP C[NH2+][C@@H](CCC[NH3+])[C@H]1CC[N@@H+](C)C1 259115840 573582711 /nfs/dbraw/zinc/58/27/11/573582711.db2.gz BASSMQNVDJCPGV-UWVGGRQHSA-N 3 1 185.315 0.265 10 0 ACAEMP C[NH2+][C@@H](CCC[NH3+])[C@H]1CCN(C)C1 259115840 573582716 /nfs/dbraw/zinc/58/27/16/573582716.db2.gz BASSMQNVDJCPGV-UWVGGRQHSA-N 2 1 185.315 0.265 10 0 ACAEMP CCC[N@H+](CC1([NH3+])CC1)[C@@H]1CCOC1 308639288 573582728 /nfs/dbraw/zinc/58/27/28/573582728.db2.gz CCAQMKAIMHWNNJ-SNVBAGLBSA-N 2 1 198.310 0.979 10 0 ACAEMP C[C@H](C[NH3+])C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 259115278 573582729 /nfs/dbraw/zinc/58/27/29/573582729.db2.gz BQHPIUCSZPYZCY-HBNTYKKESA-N 3 1 199.342 0.640 10 0 ACAEMP CCC[N@@H+](CC1([NH3+])CC1)[C@@H]1CCOC1 308639288 573582732 /nfs/dbraw/zinc/58/27/32/573582732.db2.gz CCAQMKAIMHWNNJ-SNVBAGLBSA-N 2 1 198.310 0.979 10 0 ACAEMP C[C@@H]([NH3+])C[NH2+]CC[C@H]1CC[N@@H+](C)C1 258807033 573582790 /nfs/dbraw/zinc/58/27/90/573582790.db2.gz SAAVXZUPKCXJSS-ZJUUUORDSA-N 3 1 185.315 0.265 10 0 ACAEMP C[C@@H](N)C[NH2+]CC[C@H]1CC[N@H+](C)C1 258807033 573582792 /nfs/dbraw/zinc/58/27/92/573582792.db2.gz SAAVXZUPKCXJSS-ZJUUUORDSA-N 2 1 185.315 0.265 10 0 ACAEMP C[NH2+][C@@H](CCC[NH3+])[C@@H]1CC[N@@H+](C)C1 259115846 573582794 /nfs/dbraw/zinc/58/27/94/573582794.db2.gz BASSMQNVDJCPGV-ZJUUUORDSA-N 3 1 185.315 0.265 10 0 ACAEMP C[C@@H](N)C[NH2+]CC[C@H]1CC[N@@H+](C)C1 258807033 573582796 /nfs/dbraw/zinc/58/27/96/573582796.db2.gz SAAVXZUPKCXJSS-ZJUUUORDSA-N 2 1 185.315 0.265 10 0 ACAEMP C[NH2+][C@@H](CCC[NH3+])[C@@H]1CCN(C)C1 259115846 573582799 /nfs/dbraw/zinc/58/27/99/573582799.db2.gz BASSMQNVDJCPGV-ZJUUUORDSA-N 2 1 185.315 0.265 10 0 ACAEMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]c1 258808111 573582831 /nfs/dbraw/zinc/58/28/31/573582831.db2.gz CLHREEXRWRYNNF-UWVGGRQHSA-N 2 1 179.267 0.984 10 0 ACAEMP C[C@@H]1CO[C@@](C)([C@H]2CC[N@H+](C)C2)[NH2+]1 258799229 573582929 /nfs/dbraw/zinc/58/29/29/573582929.db2.gz XZUMQWDCJUDSFA-UTLUCORTSA-N 2 1 184.283 0.663 10 0 ACAEMP C[C@@H]1CO[C@@](C)([C@H]2CC[N@@H+](C)C2)[NH2+]1 258799229 573582934 /nfs/dbraw/zinc/58/29/34/573582934.db2.gz XZUMQWDCJUDSFA-UTLUCORTSA-N 2 1 184.283 0.663 10 0 ACAEMP CCC[N@H+](CC1([NH3+])CC1)[C@H]1CCOC1 308639286 573583003 /nfs/dbraw/zinc/58/30/03/573583003.db2.gz CCAQMKAIMHWNNJ-JTQLQIEISA-N 2 1 198.310 0.979 10 0 ACAEMP CCC[N@@H+](CC1([NH3+])CC1)[C@H]1CCOC1 308639286 573583008 /nfs/dbraw/zinc/58/30/08/573583008.db2.gz CCAQMKAIMHWNNJ-JTQLQIEISA-N 2 1 198.310 0.979 10 0 ACAEMP C[N@@H+]1CC[C@@H](NCCC(C)(C)[NH3+])C1 258796594 573583101 /nfs/dbraw/zinc/58/31/01/573583101.db2.gz QTJOJXGOEKTPGX-SECBINFHSA-N 2 1 185.315 0.408 10 0 ACAEMP C[N@H+]1CC[C@@H](NCCC(C)(C)[NH3+])C1 258796594 573583104 /nfs/dbraw/zinc/58/31/04/573583104.db2.gz QTJOJXGOEKTPGX-SECBINFHSA-N 2 1 185.315 0.408 10 0 ACAEMP OCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 308639668 573583130 /nfs/dbraw/zinc/58/31/30/573583130.db2.gz CMCVEMNYVPTNGM-QWRGUYRKSA-N 2 1 198.310 0.300 10 0 ACAEMP C[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])C1 258804504 573583236 /nfs/dbraw/zinc/58/32/36/573583236.db2.gz CHBOTCGSJILXTH-GMTAPVOTSA-N 2 1 197.326 0.408 10 0 ACAEMP C[C@H](CCC[NH3+])[NH2+]CCc1nc[nH]n1 308639615 573583245 /nfs/dbraw/zinc/58/32/45/573583245.db2.gz CJCTVEYDMYFBQS-MRVPVSSYSA-N 2 1 197.286 0.064 10 0 ACAEMP CN1CC[NH2+]C[C@@H]1C[NH2+]CC1CCC1 258807438 573583563 /nfs/dbraw/zinc/58/35/63/573583563.db2.gz BEUSWXNYOLRWCF-LLVKDONJSA-N 2 1 197.326 0.280 10 0 ACAEMP CC1(C)CO[C@@H](C[C@@H]2CCC[NH2+]2)[NH2+]1 258799294 573584466 /nfs/dbraw/zinc/58/44/66/573584466.db2.gz YAOVMMGDMMHRCS-IUCAKERBSA-N 2 1 184.283 0.853 10 0 ACAEMP CCC(CC)C[NH2+]C[C@H]([NH3+])COC 130456702 573584470 /nfs/dbraw/zinc/58/44/70/573584470.db2.gz NWSFBGNHBIJJLI-JTQLQIEISA-N 2 1 188.315 0.986 10 0 ACAEMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]c1 258808116 573584507 /nfs/dbraw/zinc/58/45/07/573584507.db2.gz CLHREEXRWRYNNF-ZJUUUORDSA-N 2 1 179.267 0.984 10 0 ACAEMP C[C@H](C[NH3+])C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 259115276 573584667 /nfs/dbraw/zinc/58/46/67/573584667.db2.gz BQHPIUCSZPYZCY-GARJFASQSA-N 3 1 199.342 0.640 10 0 ACAEMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc[nH]c1 258808113 573584724 /nfs/dbraw/zinc/58/47/24/573584724.db2.gz CLHREEXRWRYNNF-VHSXEESVSA-N 2 1 179.267 0.984 10 0 ACAEMP C[C@@H]([NH3+])C[NH2+]CC[C@@H]1CC[N@@H+](C)C1 258807030 573584862 /nfs/dbraw/zinc/58/48/62/573584862.db2.gz SAAVXZUPKCXJSS-NXEZZACHSA-N 3 1 185.315 0.265 10 0 ACAEMP C[C@@H](N)C[NH2+]CC[C@@H]1CC[N@H+](C)C1 258807030 573584866 /nfs/dbraw/zinc/58/48/66/573584866.db2.gz SAAVXZUPKCXJSS-NXEZZACHSA-N 2 1 185.315 0.265 10 0 ACAEMP C[C@@H](N)C[NH2+]CC[C@@H]1CC[N@@H+](C)C1 258807030 573584872 /nfs/dbraw/zinc/58/48/72/573584872.db2.gz SAAVXZUPKCXJSS-NXEZZACHSA-N 2 1 185.315 0.265 10 0 ACAEMP C[NH2+]C[C@H]([C@H]1CCC[N@@H+](C)C1)N(C)C 259115666 573584986 /nfs/dbraw/zinc/58/49/86/573584986.db2.gz RKGTUDQFMUNFPT-WDEREUQCSA-N 2 1 199.342 0.478 10 0 ACAEMP C[NH2+][C@H](CCC[NH3+])[C@H]1CC[N@@H+](C)C1 259115843 573585187 /nfs/dbraw/zinc/58/51/87/573585187.db2.gz BASSMQNVDJCPGV-VHSXEESVSA-N 3 1 185.315 0.265 10 0 ACAEMP C[NH2+][C@H](CCC[NH3+])[C@H]1CCN(C)C1 259115843 573585192 /nfs/dbraw/zinc/58/51/92/573585192.db2.gz BASSMQNVDJCPGV-VHSXEESVSA-N 2 1 185.315 0.265 10 0 ACAEMP C[C@@H](CCC[NH3+])[NH2+]CCc1nc[nH]n1 308639616 573585269 /nfs/dbraw/zinc/58/52/69/573585269.db2.gz CJCTVEYDMYFBQS-QMMMGPOBSA-N 2 1 197.286 0.064 10 0 ACAEMP CCC(CC)C[NH2+]C[C@@H]([NH3+])COC 130456924 573587034 /nfs/dbraw/zinc/58/70/34/573587034.db2.gz NWSFBGNHBIJJLI-SNVBAGLBSA-N 2 1 188.315 0.986 10 0 ACAEMP C[C@H]([NH3+])C[NH2+]CC[C@@H]1CC[N@@H+](C)C1 258807032 573586551 /nfs/dbraw/zinc/58/65/51/573586551.db2.gz SAAVXZUPKCXJSS-VHSXEESVSA-N 3 1 185.315 0.265 10 0 ACAEMP C[C@H](N)C[NH2+]CC[C@@H]1CC[N@H+](C)C1 258807032 573586555 /nfs/dbraw/zinc/58/65/55/573586555.db2.gz SAAVXZUPKCXJSS-VHSXEESVSA-N 2 1 185.315 0.265 10 0 ACAEMP C[C@H](N)C[NH2+]CC[C@@H]1CC[N@@H+](C)C1 258807032 573586561 /nfs/dbraw/zinc/58/65/61/573586561.db2.gz SAAVXZUPKCXJSS-VHSXEESVSA-N 2 1 185.315 0.265 10 0 ACAEMP C[C@@H]1[C@@H](N)[C@@H](C[NH3+])C[N@H+]1C(C)(C)C 238442504 573586654 /nfs/dbraw/zinc/58/66/54/573586654.db2.gz DQANXHIRDMHOQQ-HRDYMLBCSA-N 2 1 185.315 0.391 10 0 ACAEMP C[C@@H]1[C@@H]([NH3+])[C@@H](C[NH3+])CN1C(C)(C)C 238442504 573586661 /nfs/dbraw/zinc/58/66/61/573586661.db2.gz DQANXHIRDMHOQQ-HRDYMLBCSA-N 2 1 185.315 0.391 10 0 ACAEMP CCC[N@H+](CCN)C[C@H](C)O 83676535 573586826 /nfs/dbraw/zinc/58/68/26/573586826.db2.gz CLZDRZKECZECKN-QMMMGPOBSA-N 2 1 160.261 0.038 10 0 ACAEMP CCC[N@@H+](CCN)C[C@H](C)O 83676535 573586832 /nfs/dbraw/zinc/58/68/32/573586832.db2.gz CLZDRZKECZECKN-QMMMGPOBSA-N 2 1 160.261 0.038 10 0 ACAEMP CCC[N@H+](CC[NH3+])C[C@H](C)O 83676535 573586836 /nfs/dbraw/zinc/58/68/36/573586836.db2.gz CLZDRZKECZECKN-QMMMGPOBSA-N 2 1 160.261 0.038 10 0 ACAEMP CCC[N@@H+](CC[NH3+])C[C@H](C)O 83676535 573586840 /nfs/dbraw/zinc/58/68/40/573586840.db2.gz CLZDRZKECZECKN-QMMMGPOBSA-N 2 1 160.261 0.038 10 0 ACAEMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc[nH]c1 258808108 573586893 /nfs/dbraw/zinc/58/68/93/573586893.db2.gz CLHREEXRWRYNNF-NXEZZACHSA-N 2 1 179.267 0.984 10 0 ACAEMP [NH3+]C[C@]1(O)CC[N@H+]2CCCC[C@H]2C1 107416973 573587006 /nfs/dbraw/zinc/58/70/06/573587006.db2.gz QIFOGPJZOFYVNH-UWVGGRQHSA-N 2 1 184.283 0.325 10 0 ACAEMP CC[C@H](C[NH3+])[C@@H](N)[C@H]1CCC[N@H+](C)C1 259117253 573590074 /nfs/dbraw/zinc/59/00/74/573590074.db2.gz AFSXQRWBEZGWFT-OUAUKWLOSA-N 2 1 199.342 0.640 10 0 ACAEMP CC[C@@H](C[NH2+]C)C(=O)[C@H]1CC[N@@H+](C)C1 259117108 573588186 /nfs/dbraw/zinc/58/81/86/573588186.db2.gz LIFLIRRRSYRJBL-UWVGGRQHSA-N 2 1 198.310 0.753 10 0 ACAEMP CNCC[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 258803392 573588194 /nfs/dbraw/zinc/58/81/94/573588194.db2.gz RQMJEFQYBSJVQL-NSHDSACASA-N 2 1 199.342 0.527 10 0 ACAEMP C[NH2+]CC[NH2+]CC[C@@H]1CCC[N@H+](C)C1 258803392 573588198 /nfs/dbraw/zinc/58/81/98/573588198.db2.gz RQMJEFQYBSJVQL-NSHDSACASA-N 3 1 199.342 0.527 10 0 ACAEMP C[C@@H]1CO[C@](C)([C@@H]2CC[N@H+](C)C2)[NH2+]1 258799228 573588405 /nfs/dbraw/zinc/58/84/05/573588405.db2.gz XZUMQWDCJUDSFA-OPRDCNLKSA-N 2 1 184.283 0.663 10 0 ACAEMP C[C@@H]1CO[C@](C)([C@@H]2CC[N@@H+](C)C2)[NH2+]1 258799228 573588411 /nfs/dbraw/zinc/58/84/11/573588411.db2.gz XZUMQWDCJUDSFA-OPRDCNLKSA-N 2 1 184.283 0.663 10 0 ACAEMP CC[C@H](C[NH2+]C)C(=O)[C@H]1CC[N@@H+](C)C1 259117113 573588504 /nfs/dbraw/zinc/58/85/04/573588504.db2.gz LIFLIRRRSYRJBL-ZJUUUORDSA-N 2 1 198.310 0.753 10 0 ACAEMP C[C@H]1CC[C@H]([NH3+])[C@@H](C)[N@H+]1C 238443606 573588556 /nfs/dbraw/zinc/58/85/56/573588556.db2.gz ZVQIGWHBPACQQI-RNJXMRFFSA-N 2 1 142.246 0.816 10 0 ACAEMP C[C@@H]1C[C@@](C)(O)[C@@H](C[NH3+])C[N@H+]1C 238443118 573589771 /nfs/dbraw/zinc/58/97/71/573589771.db2.gz JLXNQGGMWBUTOH-HRDYMLBCSA-N 2 1 172.272 0.036 10 0 ACAEMP CC1(C)C[NH2+][C@@H]([C@H]2CC[NH2+]C2)OC1 258812574 573589773 /nfs/dbraw/zinc/58/97/73/573589773.db2.gz YJMVLBLXTCRPHP-DTWKUNHWSA-N 2 1 184.283 0.568 10 0 ACAEMP [NH3+]C[C@@]1(O)CC[N@H+]2CCCC[C@H]2C1 107416971 573589785 /nfs/dbraw/zinc/58/97/85/573589785.db2.gz QIFOGPJZOFYVNH-VHSXEESVSA-N 2 1 184.283 0.325 10 0 ACAEMP CCC[C@@H]([NH3+])C[C@@H]1C[N@@H+](C)CCN1 259117446 573590018 /nfs/dbraw/zinc/59/00/18/573590018.db2.gz AHZBMZDZKBSETL-NXEZZACHSA-N 2 1 185.315 0.408 10 0 ACAEMP CC[C@H](C[NH3+])[C@@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 259117253 573590072 /nfs/dbraw/zinc/59/00/72/573590072.db2.gz AFSXQRWBEZGWFT-OUAUKWLOSA-N 3 1 199.342 0.640 10 0 ACAEMP CC[C@H](C[NH3+])[C@@H](N)[C@H]1CCC[N@@H+](C)C1 259117253 573590079 /nfs/dbraw/zinc/59/00/79/573590079.db2.gz AFSXQRWBEZGWFT-OUAUKWLOSA-N 2 1 199.342 0.640 10 0 ACAEMP C[NH+]1CCN(C2=NCCS2)CC1 95952724 573590132 /nfs/dbraw/zinc/59/01/32/573590132.db2.gz RNJSZFASZAZFGB-UHFFFAOYSA-N 2 1 185.296 0.337 10 0 ACAEMP [NH3+]C[C@]1(O)CCC[N@H+]2CCCC[C@H]21 107416979 573590992 /nfs/dbraw/zinc/59/09/92/573590992.db2.gz XCVUGMFHMYDVKV-VHSXEESVSA-N 2 1 184.283 0.325 10 0 ACAEMP C[N@@H+]1CCC[C@H]1c1c[nH+]c(N)[nH]1 259521272 573591515 /nfs/dbraw/zinc/59/15/15/573591515.db2.gz AJHLZHOLDRXKTH-ZETCQYMHSA-N 2 1 166.228 0.759 10 0 ACAEMP C[N@H+]1CCC[C@H]1c1c[nH+]c(N)[nH]1 259521272 573591516 /nfs/dbraw/zinc/59/15/16/573591516.db2.gz AJHLZHOLDRXKTH-ZETCQYMHSA-N 2 1 166.228 0.759 10 0 ACAEMP CN(C[NH3+])CC[C@H]1CCC[N@@H+](C)C1 258810859 573591711 /nfs/dbraw/zinc/59/17/11/573591711.db2.gz FJASUNDXOCBUEB-SNVBAGLBSA-N 2 1 185.315 0.566 10 0 ACAEMP C[C@H]1C[N@@H+](C)[C@H](C)C[C@@]1(N)C[NH3+] 238443448 573591743 /nfs/dbraw/zinc/59/17/43/573591743.db2.gz KFQVFNJBPFQYJK-DJLDLDEBSA-N 2 1 171.288 0.003 10 0 ACAEMP C[C@@H]1S[C@@]2(CC[N@@H+](C)C2)C[C@H]1[NH3+] 82391959 573593644 /nfs/dbraw/zinc/59/36/44/573593644.db2.gz QLMRXPKQWNSAGI-YIZRAAEISA-N 2 1 186.324 0.913 10 0 ACAEMP CC[C@@](C)([NH3+])C(N)=[NH2+] 78724692 573593839 /nfs/dbraw/zinc/59/38/39/573593839.db2.gz CTGDFAJJKLOIHW-RXMQYKEDSA-N 2 1 115.180 0.050 10 0 ACAEMP C1C[C@@H](N[C@H]2CC[N@H+](C3CC3)C2)C[NH2+]1 86729516 573594756 /nfs/dbraw/zinc/59/47/56/573594756.db2.gz QRWLRSLLXHZBEP-ZJUUUORDSA-N 2 1 195.310 0.175 10 0 ACAEMP CN(C[NH3+])CC[C@@H]1CCC[N@@H+](C)C1 258810858 573594787 /nfs/dbraw/zinc/59/47/87/573594787.db2.gz FJASUNDXOCBUEB-JTQLQIEISA-N 2 1 185.315 0.566 10 0 ACAEMP CC1(C)C[NH2+][C@@H]([C@@H]2CC[NH2+]C2)OC1 258812576 573594843 /nfs/dbraw/zinc/59/48/43/573594843.db2.gz YJMVLBLXTCRPHP-RKDXNWHRSA-N 2 1 184.283 0.568 10 0 ACAEMP [NH3+][C@H](CO)CC[N@@H+]1C[C@H]2CCC[C@H]2C1 126641276 573594872 /nfs/dbraw/zinc/59/48/72/573594872.db2.gz NQPXCELSICOFLN-AXFHLTTASA-N 2 1 198.310 0.428 10 0 ACAEMP C[N@H+]1CCCC[C@H]1CN[C@@H]1CC[NH2+]C1 86729501 573594919 /nfs/dbraw/zinc/59/49/19/573594919.db2.gz KSEYZROOWSEDNF-MNOVXSKESA-N 2 1 197.326 0.422 10 0 ACAEMP CCOCCC[NH2+][C@H]1CC[NH2+]C1 86724946 573594957 /nfs/dbraw/zinc/59/49/57/573594957.db2.gz NYAYZKVMZOTQAJ-VIFPVBQESA-N 2 1 172.272 0.365 10 0 ACAEMP CC1(C)C[NH2+][C@H]([C@@H]2CC[NH2+]C2)OC1 258812573 573595030 /nfs/dbraw/zinc/59/50/30/573595030.db2.gz YJMVLBLXTCRPHP-BDAKNGLRSA-N 2 1 184.283 0.568 10 0 ACAEMP Nc1cc[nH+]cc1[C@H]([NH3+])[C@@H]1CCCO1 83712593 573595364 /nfs/dbraw/zinc/59/53/64/573595364.db2.gz BZKSSQRJUPRHJW-UWVGGRQHSA-N 2 1 193.250 0.843 10 0 ACAEMP C1CC([NH2+][C@@H]2CC[NH2+]C2)C1 86729769 573595569 /nfs/dbraw/zinc/59/55/69/573595569.db2.gz CJHBYAGBGGYSEN-MRVPVSSYSA-N 2 1 140.230 0.490 10 0 ACAEMP CC[NH2+]CCNC[C@H]1CCC[N@@H+](C)C1 258818601 573595617 /nfs/dbraw/zinc/59/56/17/573595617.db2.gz FDBUEUSXHJSETD-LLVKDONJSA-N 2 1 199.342 0.527 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])C2(CO)CC2)C1 259524587 573595688 /nfs/dbraw/zinc/59/56/88/573595688.db2.gz SKSYLVLNVYHOGB-RKDXNWHRSA-N 2 1 184.283 0.038 10 0 ACAEMP CC[C@@](C)([NH3+])C[NH+](C)C 78724428 573595737 /nfs/dbraw/zinc/59/57/37/573595737.db2.gz VITVAJJRDHHUEF-SSDOTTSWSA-N 2 1 130.235 0.675 10 0 ACAEMP CC[C@](C)([NH3+])C(N)=[NH2+] 78724691 573595782 /nfs/dbraw/zinc/59/57/82/573595782.db2.gz CTGDFAJJKLOIHW-YFKPBYRVSA-N 2 1 115.180 0.050 10 0 ACAEMP C[N@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C2)C1 86729164 573595880 /nfs/dbraw/zinc/59/58/80/573595880.db2.gz QLYDKZKCIIHXGV-NXEZZACHSA-N 2 1 183.299 0.032 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])C2(CO)CC2)C1 259524583 573596182 /nfs/dbraw/zinc/59/61/82/573596182.db2.gz SKSYLVLNVYHOGB-DTWKUNHWSA-N 2 1 184.283 0.038 10 0 ACAEMP Nc1ccc2c(c1)CC[C@H]2[NH2+]CC[NH3+] 86728272 573596200 /nfs/dbraw/zinc/59/62/00/573596200.db2.gz LGWULTWAWXJHBY-LLVKDONJSA-N 2 1 191.278 0.804 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H](N)C2(C[NH3+])CC2)C1 259522937 573596561 /nfs/dbraw/zinc/59/65/61/573596561.db2.gz SHJDRBDKOVJESX-RKDXNWHRSA-N 2 1 183.299 0.004 10 0 ACAEMP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])C2(C[NH3+])CC2)C1 259522937 573596567 /nfs/dbraw/zinc/59/65/67/573596567.db2.gz SHJDRBDKOVJESX-RKDXNWHRSA-N 3 1 183.299 0.004 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])C2(C[NH3+])CC2)C1 259522937 573596569 /nfs/dbraw/zinc/59/65/69/573596569.db2.gz SHJDRBDKOVJESX-RKDXNWHRSA-N 3 1 183.299 0.004 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H]([NH3+])C2(CO)CC2)C1 259524585 573596594 /nfs/dbraw/zinc/59/65/94/573596594.db2.gz SKSYLVLNVYHOGB-IUCAKERBSA-N 2 1 184.283 0.038 10 0 ACAEMP C[C@H]1[C@@H](C)[N@@H+](C)[C@H](C)[C@@H](C)N1CC[NH3+] 238455768 573596642 /nfs/dbraw/zinc/59/66/42/573596642.db2.gz JKTDWZPWLUATFI-DBIOUOCHSA-N 2 1 199.342 0.747 10 0 ACAEMP CC[C@H](C[NH3+])C(=O)[C@H]1CC[N@@H+](C)C1 259137878 573597759 /nfs/dbraw/zinc/59/77/59/573597759.db2.gz NARRZFZVNQTITI-BDAKNGLRSA-N 2 1 184.283 0.492 10 0 ACAEMP C[N@H+]1CC[C@@](CC[NH3+])(C(F)F)C1 259523549 573597633 /nfs/dbraw/zinc/59/76/33/573597633.db2.gz APAHUNJDIOJNNH-MRVPVSSYSA-N 2 1 178.226 0.922 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H](N)C2(C[NH3+])CC2)C1 259522934 573598784 /nfs/dbraw/zinc/59/87/84/573598784.db2.gz SHJDRBDKOVJESX-DTWKUNHWSA-N 2 1 183.299 0.004 10 0 ACAEMP C[N@@H+]1CC[C@H]([C@@H]([NH3+])C2(C[NH3+])CC2)C1 259522934 573598788 /nfs/dbraw/zinc/59/87/88/573598788.db2.gz SHJDRBDKOVJESX-DTWKUNHWSA-N 3 1 183.299 0.004 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])C2(C[NH3+])CC2)C1 259522934 573598794 /nfs/dbraw/zinc/59/87/94/573598794.db2.gz SHJDRBDKOVJESX-DTWKUNHWSA-N 3 1 183.299 0.004 10 0 ACAEMP CC[C@@]1(C[NH2+]CCOC)CCC[NH2+]1 215368015 573598935 /nfs/dbraw/zinc/59/89/35/573598935.db2.gz DFPQJAGDFZKLNL-JTQLQIEISA-N 2 1 186.299 0.755 10 0 ACAEMP CC[C@@H](C[NH3+])C(=O)[C@H]1CC[N@@H+](C)C1 259137881 573599006 /nfs/dbraw/zinc/59/90/06/573599006.db2.gz NARRZFZVNQTITI-IUCAKERBSA-N 2 1 184.283 0.492 10 0 ACAEMP Cc1[nH+]c[nH]c1[C@@H](C)C[NH3+] 75527223 573599873 /nfs/dbraw/zinc/59/98/73/573599873.db2.gz GSVAIHUPKSDXGA-YFKPBYRVSA-N 2 1 139.202 0.780 10 0 ACAEMP Nc1cc[nH+]cc1[C@@H]([NH3+])[C@@H]1CCCO1 83712595 573600072 /nfs/dbraw/zinc/60/00/72/573600072.db2.gz BZKSSQRJUPRHJW-VHSXEESVSA-N 2 1 193.250 0.843 10 0 ACAEMP Cc1c[nH]c(CC[C@H](C)[NH3+])[nH+]1 259139438 573600143 /nfs/dbraw/zinc/60/01/43/573600143.db2.gz RSRXINSABFBSEY-LURJTMIESA-N 2 1 153.229 0.998 10 0 ACAEMP Cn1ccc(C[NH2+][C@@H]2CC[C@H]([NH3+])C2)n1 124721395 573600290 /nfs/dbraw/zinc/60/02/90/573600290.db2.gz GFHKBKJTYNIVAY-DTWKUNHWSA-N 2 1 194.282 0.390 10 0 ACAEMP CN1CC[C@H]([N@@H+](C)CCCC[NH3+])C1 258815966 573600301 /nfs/dbraw/zinc/60/03/01/573600301.db2.gz DYLKJNQMWGHAHP-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP Cc1c[nH]c(CC[C@@H](C)[NH3+])[nH+]1 259139441 573600856 /nfs/dbraw/zinc/60/08/56/573600856.db2.gz RSRXINSABFBSEY-ZCFIWIBFSA-N 2 1 153.229 0.998 10 0 ACAEMP CC[NH2+]CCNC[C@@H]1CCC[N@@H+](C)C1 258818606 573601274 /nfs/dbraw/zinc/60/12/74/573601274.db2.gz FDBUEUSXHJSETD-NSHDSACASA-N 2 1 199.342 0.527 10 0 ACAEMP Cn1ccnc1C[C@]1(O)CC[N@@H+](C)C1 86749657 573601000 /nfs/dbraw/zinc/60/10/00/573601000.db2.gz XLTPJWHLRAEULR-SNVBAGLBSA-N 2 1 195.266 0.029 10 0 ACAEMP C[NH2+][C@H](C(C)C)[C@H]1C[NH2+]CCN1C 259524972 573601059 /nfs/dbraw/zinc/60/10/59/573601059.db2.gz UHCNQJCZCSQBJB-NXEZZACHSA-N 2 1 185.315 0.134 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@H]([NH3+])C(C)(C)O)C1 259139378 573601078 /nfs/dbraw/zinc/60/10/78/573601078.db2.gz BCFKGCXVQOBKCB-BDAKNGLRSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@@]1(O)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 259527796 573601187 /nfs/dbraw/zinc/60/11/87/573601187.db2.gz AWGCXWYYADVGNN-VHSXEESVSA-N 2 1 184.283 0.053 10 0 ACAEMP CN1CC[C@@H]([N@@H+](C)CCCC[NH3+])C1 258815967 573601230 /nfs/dbraw/zinc/60/12/30/573601230.db2.gz DYLKJNQMWGHAHP-SNVBAGLBSA-N 2 1 185.315 0.361 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@@H]([NH3+])C(C)(C)O)C1 259139380 573601338 /nfs/dbraw/zinc/60/13/38/573601338.db2.gz BCFKGCXVQOBKCB-DTWKUNHWSA-N 2 1 186.299 0.426 10 0 ACAEMP Cn1ccc(C[NH2+][C@H]2CC[C@H]([NH3+])C2)n1 124721622 573601700 /nfs/dbraw/zinc/60/17/00/573601700.db2.gz GFHKBKJTYNIVAY-IUCAKERBSA-N 2 1 194.282 0.390 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H]([NH3+])C(C)(C)O)C1 259139383 573601620 /nfs/dbraw/zinc/60/16/20/573601620.db2.gz BCFKGCXVQOBKCB-IUCAKERBSA-N 2 1 186.299 0.426 10 0 ACAEMP Cc1ccsc1N(C)C[C@@H](N)C[NH3+] 259123324 573603231 /nfs/dbraw/zinc/60/32/31/573603231.db2.gz TWHSZFCTPRRWIT-QMMMGPOBSA-N 2 1 199.323 0.779 10 0 ACAEMP C[NH2+][C@H]([C@@H](C)CC[NH3+])[C@H]1CC[N@@H+](C)C1 259125059 573606230 /nfs/dbraw/zinc/60/62/30/573606230.db2.gz BKAQFFXMBKEXSE-GARJFASQSA-N 2 1 199.342 0.511 10 0 ACAEMP C[NH2+][C@H]([C@@H](C)CC[NH3+])[C@H]1CCN(C)C1 259125059 573606237 /nfs/dbraw/zinc/60/62/37/573606237.db2.gz BKAQFFXMBKEXSE-GARJFASQSA-N 2 1 199.342 0.511 10 0 ACAEMP Cn1ccnc1C[C@@]1(O)CC[N@@H+](C)C1 86749660 573602665 /nfs/dbraw/zinc/60/26/65/573602665.db2.gz XLTPJWHLRAEULR-JTQLQIEISA-N 2 1 195.266 0.029 10 0 ACAEMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC[NH3+])C1 258817976 573602687 /nfs/dbraw/zinc/60/26/87/573602687.db2.gz TZFLNIXTYOVYDK-NSHDSACASA-N 3 1 199.342 0.657 10 0 ACAEMP C[NH2+][C@H]([C@H](C)CC[NH3+])[C@@H]1CC[N@@H+](C)C1 259125063 573602690 /nfs/dbraw/zinc/60/26/90/573602690.db2.gz BKAQFFXMBKEXSE-GMTAPVOTSA-N 2 1 199.342 0.511 10 0 ACAEMP C[NH2+][C@H]([C@H](C)CC[NH3+])[C@@H]1CCN(C)C1 259125063 573602696 /nfs/dbraw/zinc/60/26/96/573602696.db2.gz BKAQFFXMBKEXSE-GMTAPVOTSA-N 2 1 199.342 0.511 10 0 ACAEMP CN1C(NCC[NH3+])=[NH+][C@@H]2CCCC[C@@H]21 258066950 573602866 /nfs/dbraw/zinc/60/28/66/573602866.db2.gz LBTJDGOCQJATRO-BDAKNGLRSA-N 2 1 196.298 0.147 10 0 ACAEMP C[NH2+][C@@H]([C@H]1CC[N@@H+](C)C1)[C@H](C)CC[NH3+] 259125070 573602936 /nfs/dbraw/zinc/60/29/36/573602936.db2.gz BKAQFFXMBKEXSE-OUAUKWLOSA-N 2 1 199.342 0.511 10 0 ACAEMP C[NH2+][C@@H]([C@H]1CCN(C)C1)[C@H](C)CC[NH3+] 259125070 573602945 /nfs/dbraw/zinc/60/29/45/573602945.db2.gz BKAQFFXMBKEXSE-OUAUKWLOSA-N 2 1 199.342 0.511 10 0 ACAEMP Nc1cc[nH+]cc1[C@@H]([NH3+])[C@@H]1CCOC1 83716774 573602963 /nfs/dbraw/zinc/60/29/63/573602963.db2.gz HRIQYZABDVBALZ-XCBNKYQSSA-N 2 1 193.250 0.700 10 0 ACAEMP C[NH2+][C@@H](C(C)C)[C@@H]1C[NH2+]CCN1C 259524974 573603159 /nfs/dbraw/zinc/60/31/59/573603159.db2.gz UHCNQJCZCSQBJB-UWVGGRQHSA-N 2 1 185.315 0.134 10 0 ACAEMP [NH3+]CC[C@]1(O)CC[N@H+]2CCCC[C@H]2C1 107434759 573603218 /nfs/dbraw/zinc/60/32/18/573603218.db2.gz WQVSZOIUOOJNLQ-QWRGUYRKSA-N 2 1 198.310 0.715 10 0 ACAEMP C[C@@H]([NH3+])C[N@H+](C)CCc1cc[nH]c1 258817908 573603259 /nfs/dbraw/zinc/60/32/59/573603259.db2.gz TXYQLXMSGNSYQS-SECBINFHSA-N 2 1 181.283 0.836 10 0 ACAEMP C[C@@H]([NH3+])C[N@@H+](C)CCc1cc[nH]c1 258817908 573603265 /nfs/dbraw/zinc/60/32/65/573603265.db2.gz TXYQLXMSGNSYQS-SECBINFHSA-N 2 1 181.283 0.836 10 0 ACAEMP C[C@@]1(O)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 259527785 573603282 /nfs/dbraw/zinc/60/32/82/573603282.db2.gz AWGCXWYYADVGNN-NXEZZACHSA-N 2 1 184.283 0.053 10 0 ACAEMP CN[C@H](c1ccc[nH]1)[C@H]1C[NH2+]CCO1 259140699 573603354 /nfs/dbraw/zinc/60/33/54/573603354.db2.gz CCAXOIYFMPDMMT-NXEZZACHSA-N 2 1 195.266 0.264 10 0 ACAEMP [NH3+]CC[C@]1(O)CCC[N@H+]2CCCC[C@H]21 107434769 573603378 /nfs/dbraw/zinc/60/33/78/573603378.db2.gz FLVUBLHUWSBQCA-WDEREUQCSA-N 2 1 198.310 0.715 10 0 ACAEMP C[N@H+]1CCC[C@H](CC[NH2+]CCC[NH3+])C1 258817974 573603382 /nfs/dbraw/zinc/60/33/82/573603382.db2.gz TZFLNIXTYOVYDK-LLVKDONJSA-N 3 1 199.342 0.657 10 0 ACAEMP Cc1ccsc1N(C)C[C@H](N)C[NH3+] 259123320 573603443 /nfs/dbraw/zinc/60/34/43/573603443.db2.gz TWHSZFCTPRRWIT-MRVPVSSYSA-N 2 1 199.323 0.779 10 0 ACAEMP Nc1[nH+]cccc1C[C@@H](F)CC[NH3+] 130489400 573603653 /nfs/dbraw/zinc/60/36/53/573603653.db2.gz SIVUVJGKGLNZKH-QMMMGPOBSA-N 2 1 183.230 0.893 10 0 ACAEMP CC[NH+](CC)Cc1ncc(C[NH3+])cn1 257836552 573603861 /nfs/dbraw/zinc/60/38/61/573603861.db2.gz KTWUFSLDAJZLKP-UHFFFAOYSA-N 2 1 194.282 0.777 10 0 ACAEMP C[NH2+]Cc1c[nH]c([C@H]2CCOC2)n1 83718299 573603886 /nfs/dbraw/zinc/60/38/86/573603886.db2.gz MDKCEAGDBUSPPS-ZETCQYMHSA-N 2 1 181.239 0.633 10 0 ACAEMP CN[C@@H](c1ccc[nH]1)[C@H]1C[NH2+]CCO1 259140707 573604105 /nfs/dbraw/zinc/60/41/05/573604105.db2.gz CCAXOIYFMPDMMT-ZJUUUORDSA-N 2 1 195.266 0.264 10 0 ACAEMP C[NH2+]Cc1c[nH]c([C@@H]2CCOC2)n1 83718298 573604152 /nfs/dbraw/zinc/60/41/52/573604152.db2.gz MDKCEAGDBUSPPS-SSDOTTSWSA-N 2 1 181.239 0.633 10 0 ACAEMP C[NH2+][C@H]([C@@H](C)CC[NH3+])[C@@H]1CC[N@@H+](C)C1 259125067 573604174 /nfs/dbraw/zinc/60/41/74/573604174.db2.gz BKAQFFXMBKEXSE-HBNTYKKESA-N 2 1 199.342 0.511 10 0 ACAEMP C[NH2+][C@H]([C@@H](C)CC[NH3+])[C@@H]1CCN(C)C1 259125067 573604179 /nfs/dbraw/zinc/60/41/79/573604179.db2.gz BKAQFFXMBKEXSE-HBNTYKKESA-N 2 1 199.342 0.511 10 0 ACAEMP CC[N@@H+](CCNCC(C)(C)[NH3+])C1CC1 308647201 573604375 /nfs/dbraw/zinc/60/43/75/573604375.db2.gz HXSNSQXQOOBWTG-UHFFFAOYSA-N 2 1 199.342 0.798 10 0 ACAEMP CN[C@@H](c1ccc[nH]1)[C@@H]1C[NH2+]CCO1 259140702 573604503 /nfs/dbraw/zinc/60/45/03/573604503.db2.gz CCAXOIYFMPDMMT-UWVGGRQHSA-N 2 1 195.266 0.264 10 0 ACAEMP CN[C@H](c1ccc[nH]1)[C@@H]1C[NH2+]CCO1 259140704 573604536 /nfs/dbraw/zinc/60/45/36/573604536.db2.gz CCAXOIYFMPDMMT-VHSXEESVSA-N 2 1 195.266 0.264 10 0 ACAEMP C[NH2+][C@H](C(C)C)[C@@H]1C[NH2+]CCN1C 259524975 573604572 /nfs/dbraw/zinc/60/45/72/573604572.db2.gz UHCNQJCZCSQBJB-VHSXEESVSA-N 2 1 185.315 0.134 10 0 ACAEMP [NH3+]C[C@]1(O)CCC[N@H+](C2CCC2)C1 259525526 573604952 /nfs/dbraw/zinc/60/49/52/573604952.db2.gz ARPJHSHGXUZJEY-SNVBAGLBSA-N 2 1 184.283 0.325 10 0 ACAEMP CCC[C@H]([NH3+])CCC[NH+]1CCNCC1 259525916 573605578 /nfs/dbraw/zinc/60/55/78/573605578.db2.gz SLKFIUYVBMVBEO-NSHDSACASA-N 2 1 199.342 0.799 10 0 ACAEMP Nc1cc[nH+]cc1[C@H]([NH3+])[C@@H]1CCOC1 83716772 573605726 /nfs/dbraw/zinc/60/57/26/573605726.db2.gz HRIQYZABDVBALZ-GMSGAONNSA-N 2 1 193.250 0.700 10 0 ACAEMP C/C=C\C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 215477644 573605855 /nfs/dbraw/zinc/60/58/55/573605855.db2.gz FULSIUARQUCZPP-CSGBJPQYSA-N 2 1 166.268 0.714 10 0 ACAEMP [NH3+]CC[C@@]1(O)CCC[N@H+]2CCCC[C@H]21 107434764 573605940 /nfs/dbraw/zinc/60/59/40/573605940.db2.gz FLVUBLHUWSBQCA-QWRGUYRKSA-N 2 1 198.310 0.715 10 0 ACAEMP CC[N@H+](C)C[C@@H](C)NCC[NH+](C)C 233463911 573606010 /nfs/dbraw/zinc/60/60/10/573606010.db2.gz CAXDDKWUYNRLOA-SNVBAGLBSA-N 2 1 187.331 0.478 10 0 ACAEMP CC[N@@H+](C)C[C@@H](C)NCC[NH+](C)C 233463911 573606014 /nfs/dbraw/zinc/60/60/14/573606014.db2.gz CAXDDKWUYNRLOA-SNVBAGLBSA-N 2 1 187.331 0.478 10 0 ACAEMP C[C@H]([NH3+])C[N@H+](C)CCc1cc[nH]c1 258817911 573606151 /nfs/dbraw/zinc/60/61/51/573606151.db2.gz TXYQLXMSGNSYQS-VIFPVBQESA-N 2 1 181.283 0.836 10 0 ACAEMP C[C@H]([NH3+])C[N@@H+](C)CCc1cc[nH]c1 258817911 573606159 /nfs/dbraw/zinc/60/61/59/573606159.db2.gz TXYQLXMSGNSYQS-VIFPVBQESA-N 2 1 181.283 0.836 10 0 ACAEMP CN(CCC(N)=[NH2+])c1[nH+]ccn1C 50605546 573607695 /nfs/dbraw/zinc/60/76/95/573607695.db2.gz UHUVJAIJZGFKMT-UHFFFAOYSA-N 2 1 181.243 0.182 10 0 ACAEMP C[C@@H]1[NH2+]CCN[C@@H]1C1CC[NH+](C)CC1 259129703 573608043 /nfs/dbraw/zinc/60/80/43/573608043.db2.gz JELNYFNYKJXLHU-ONGXEEELSA-N 2 1 197.326 0.278 10 0 ACAEMP CCn1cc[nH+]c1N(C)CCC[NH3+] 50607868 573608290 /nfs/dbraw/zinc/60/82/90/573608290.db2.gz VUHRRVDXXMERRQ-UHFFFAOYSA-N 2 1 182.271 0.688 10 0 ACAEMP C[NH2+][C@@H](CCO)[C@H]1CCC[N@@H+](C)C1 259129395 573608480 /nfs/dbraw/zinc/60/84/80/573608480.db2.gz BOQIJSLLEWJIAB-UWVGGRQHSA-N 2 1 186.299 0.299 10 0 ACAEMP [NH3+]Cc1cnc([C@H]2CCCOC2)[nH]1 83722644 573608549 /nfs/dbraw/zinc/60/85/49/573608549.db2.gz DPILGXXVYDTXPX-ZETCQYMHSA-N 2 1 181.239 0.762 10 0 ACAEMP CCC[N@@H+](C)C[C@H](C)N1CC[NH2+]CC1 259130150 573608765 /nfs/dbraw/zinc/60/87/65/573608765.db2.gz YYDXGUUKYLXFJR-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])C2CC([NH3+])C2)C1 259127747 573609046 /nfs/dbraw/zinc/60/90/46/573609046.db2.gz CGXQCXGTJAXYDB-SEZDTBSWSA-N 3 1 183.299 0.003 10 0 ACAEMP CC(=O)CC(C)(C)[NH2+]CC[NH3+] 75543881 573609134 /nfs/dbraw/zinc/60/91/34/573609134.db2.gz HZJOEXUSGRAAQQ-UHFFFAOYSA-N 2 1 158.245 0.292 10 0 ACAEMP C[N@@H+](CN1CC[NH2+]CC1)CC(C)(C)C 258821194 573609220 /nfs/dbraw/zinc/60/92/20/573609220.db2.gz ADSUBAZWVFDIHP-UHFFFAOYSA-N 2 1 199.342 0.827 10 0 ACAEMP [NH3+][C@@H](C1CCCC1)[C@H]1C[NH2+]CCO1 259127844 573609281 /nfs/dbraw/zinc/60/92/81/573609281.db2.gz ASBBZLMCLXSELU-ZJUUUORDSA-N 2 1 184.283 0.492 10 0 ACAEMP CCC[N@@H+](C)C[C@@H](C)N1CC[NH2+]CC1 259130146 573609625 /nfs/dbraw/zinc/60/96/25/573609625.db2.gz YYDXGUUKYLXFJR-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP [NH3+]Cc1cnc([C@@H]2CCCOC2)[nH]1 83722642 573611007 /nfs/dbraw/zinc/61/10/07/573611007.db2.gz DPILGXXVYDTXPX-SSDOTTSWSA-N 2 1 181.239 0.762 10 0 ACAEMP [NH3+][C@@H](C1CCCC1)[C@@H]1C[NH2+]CCO1 259127841 573610532 /nfs/dbraw/zinc/61/05/32/573610532.db2.gz ASBBZLMCLXSELU-UWVGGRQHSA-N 2 1 184.283 0.492 10 0 ACAEMP C[NH2+][C@H](CCO)[C@H]1CCC[N@@H+](C)C1 259129401 573610638 /nfs/dbraw/zinc/61/06/38/573610638.db2.gz BOQIJSLLEWJIAB-VHSXEESVSA-N 2 1 186.299 0.299 10 0 ACAEMP CN(CCC[NH3+])c1[nH+]ccn1C 50605299 573610976 /nfs/dbraw/zinc/61/09/76/573610976.db2.gz JCYKRHJUNKKXBM-UHFFFAOYSA-N 2 1 168.244 0.205 10 0 ACAEMP CC[N@H+]1CCC=C([C@@H](C)[NH3+])C1 258068338 573610717 /nfs/dbraw/zinc/61/07/17/573610717.db2.gz MCFMMEMIPAREKO-MRVPVSSYSA-N 2 1 154.257 0.986 10 0 ACAEMP C[NH+](C)[C@@H](c1cc[nH]c1)C1C[NH2+]C1 259526810 573610910 /nfs/dbraw/zinc/61/09/10/573610910.db2.gz NAUWMQQKGDGXMD-JTQLQIEISA-N 2 1 179.267 0.837 10 0 ACAEMP C[N@H+]1CCC[C@H](C2(C[NH3+])CC(O)C2)C1 258069136 573610933 /nfs/dbraw/zinc/61/09/33/573610933.db2.gz LJBGLTYRXWJSSS-WHXUTIOJSA-N 2 1 198.310 0.428 10 0 ACAEMP [NH3+][C@H](C1CCCC1)[C@@H]1C[NH2+]CCO1 259127842 573610935 /nfs/dbraw/zinc/61/09/35/573610935.db2.gz ASBBZLMCLXSELU-VHSXEESVSA-N 2 1 184.283 0.492 10 0 ACAEMP C[N@H+]1CC[C@@H](C2(C3([NH3+])CC3)COC2)C1 259126669 573611844 /nfs/dbraw/zinc/61/18/44/573611844.db2.gz GZBZZMBUPIAZJB-SECBINFHSA-N 2 1 196.294 0.446 10 0 ACAEMP C[N@H+]1CC[C@]2(C[C@H]([NH3+])CS2)C1 82399855 573611903 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/nfs/dbraw/zinc/69/26/45/573692645.db2.gz KOWJMBRNWNLYDG-LLVKDONJSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[NH+]1CCC([C@@H](N)C[NH2+]C)CC1 258085071 573692737 /nfs/dbraw/zinc/69/27/37/573692737.db2.gz JKDVCFAGSWOVAE-JTQLQIEISA-N 2 1 185.315 0.265 10 0 ACAEMP CNc1cc(N2CC[C@@H]([NH3+])C2)nc[nH+]1 258883082 573692899 /nfs/dbraw/zinc/69/28/99/573692899.db2.gz DYZTUWUIYOLZGO-SSDOTTSWSA-N 2 1 193.254 0.056 10 0 ACAEMP CCN(CC)[C@]1(C[NH3+])C[C@H](C)[N@@H+](C)C1 126834716 573694141 /nfs/dbraw/zinc/69/41/41/573694141.db2.gz JRKFHWMCFWYGOH-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP C[N@@H+](CC1CCCCC1)C[C@@H](N)C[NH3+] 259163137 573693825 /nfs/dbraw/zinc/69/38/25/573693825.db2.gz VLTDNZYTUUPSHR-NSHDSACASA-N 2 1 199.342 0.785 10 0 ACAEMP C[N@H+](CC1CCCCC1)C[C@@H](N)C[NH3+] 259163137 573693830 /nfs/dbraw/zinc/69/38/30/573693830.db2.gz VLTDNZYTUUPSHR-NSHDSACASA-N 2 1 199.342 0.785 10 0 ACAEMP CCCCC[N@H+]1CCN(C)[C@H](C[NH3+])C1 259170509 573693879 /nfs/dbraw/zinc/69/38/79/573693879.db2.gz GSNNMZYRSARTOK-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP C[NH2+][C@@H](c1cc[nH]c1)N1CC[NH2+]CC1 259164069 573694037 /nfs/dbraw/zinc/69/40/37/573694037.db2.gz CXQKXVWMJSFPGQ-SNVBAGLBSA-N 2 1 194.282 0.138 10 0 ACAEMP C[NH2+]CCCC(=O)[C@@H]1CC[N@@H+](C)C1 259170404 573695445 /nfs/dbraw/zinc/69/54/45/573695445.db2.gz MJEBHTFULSCWHU-SECBINFHSA-N 2 1 184.283 0.507 10 0 ACAEMP C[N@H+]1CC[C@@H](C/C=C\C[NH3+])C1 258088114 573694248 /nfs/dbraw/zinc/69/42/48/573694248.db2.gz GHKUMTQLCUFPAS-PKRMOACSSA-N 2 1 154.257 0.843 10 0 ACAEMP C[N@H+]1CC[C@H](C/C=C\C[NH3+])C1 258088117 573694282 /nfs/dbraw/zinc/69/42/82/573694282.db2.gz GHKUMTQLCUFPAS-XADBCAIWSA-N 2 1 154.257 0.843 10 0 ACAEMP C[NH2+]CCC(=O)[C@@H]1CC[N@@H+](C)C1 259163851 573695884 /nfs/dbraw/zinc/69/58/84/573695884.db2.gz LWHMZYNQCNSXFF-MRVPVSSYSA-N 2 1 170.256 0.117 10 0 ACAEMP C[N@@H+](CC1CCCCC1)C[C@H](N)C[NH3+] 259163133 573695184 /nfs/dbraw/zinc/69/51/84/573695184.db2.gz VLTDNZYTUUPSHR-LLVKDONJSA-N 2 1 199.342 0.785 10 0 ACAEMP C[N@H+](CC1CCCCC1)C[C@H](N)C[NH3+] 259163133 573695191 /nfs/dbraw/zinc/69/51/91/573695191.db2.gz VLTDNZYTUUPSHR-LLVKDONJSA-N 2 1 199.342 0.785 10 0 ACAEMP C[C@@H]1CCC[C@](CO)([NH2+]CC[NH3+])C1 393588891 573695351 /nfs/dbraw/zinc/69/53/51/573695351.db2.gz IAPJJINWWQJIFU-ZJUUUORDSA-N 2 1 186.299 0.476 10 0 ACAEMP [NH3+]CC[C@@H](O)C[N@@H+](CC1CC1)C1CC1 393668143 573695705 /nfs/dbraw/zinc/69/57/05/573695705.db2.gz OYYOYWWMFXYBPQ-LLVKDONJSA-N 2 1 198.310 0.571 10 0 ACAEMP CC(C)[NH2+]CC(=O)[C@@H]1CC[N@@H+](C)C1 259170439 573695718 /nfs/dbraw/zinc/69/57/18/573695718.db2.gz MJIWSZGEFFNHAY-SECBINFHSA-N 2 1 184.283 0.505 10 0 ACAEMP C[C@H]1CCC[C@](CO)([NH2+]CC[NH3+])C1 393588888 573695866 /nfs/dbraw/zinc/69/58/66/573695866.db2.gz IAPJJINWWQJIFU-UWVGGRQHSA-N 2 1 186.299 0.476 10 0 ACAEMP CNC(=[NH2+])N1C[C@H]2CCC[N@H+]2C[C@@H]1C 86932823 573699692 /nfs/dbraw/zinc/69/96/92/573699692.db2.gz PFDXPMSIZLRTIP-DTWKUNHWSA-N 2 1 196.298 0.309 10 0 ACAEMP C[C@H]([NH3+])C[N@@H+](CCO)C1CCCC1 308685639 573700015 /nfs/dbraw/zinc/70/00/15/573700015.db2.gz ZIZOOWVFQCINMY-VIFPVBQESA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@H]([NH3+])CCN1CC[N@H+]2CCC[C@@H]2C1 86932335 573700824 /nfs/dbraw/zinc/70/08/24/573700824.db2.gz HSCGKDMBGQRTLC-GHMZBOCLSA-N 2 1 197.326 0.504 10 0 ACAEMP C[NH2+][C@]1(C[NH3+])CC(C)(C)OC1(C)C 86927633 573699228 /nfs/dbraw/zinc/69/92/28/573699228.db2.gz DFTXDHROABCSDE-JTQLQIEISA-N 2 1 186.299 0.881 10 0 ACAEMP C1C[C@@H]2CN([C@@H]3CC[NH2+]C3)CC[N@H+]2C1 86932574 573699259 /nfs/dbraw/zinc/69/92/59/573699259.db2.gz XBVJMIKMWHGHCT-GHMZBOCLSA-N 2 1 195.310 0.128 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])C[C@@H]2CC[NH2+]C2)C1 259558437 573699299 /nfs/dbraw/zinc/69/92/99/573699299.db2.gz XWKGIECRSODZIB-DCAQKATOSA-N 3 1 197.326 0.265 10 0 ACAEMP [NH3+]C1(CN2CC[N@H+]3CCC[C@@H]3C2)CC1 86932985 573699344 /nfs/dbraw/zinc/69/93/44/573699344.db2.gz FEIUFBJLQYOXQM-SNVBAGLBSA-N 2 1 195.310 0.258 10 0 ACAEMP CC1(C)C[C@@]([NH3+])(C[NH3+])C(C)(C)O1 86927625 573699401 /nfs/dbraw/zinc/69/94/01/573699401.db2.gz HNJAVCJYXRDLGP-SECBINFHSA-N 2 1 172.272 0.620 10 0 ACAEMP CC(C)(C[NH3+])N1CC[N@H+]2CCC[C@@H]2C1 86931977 573699436 /nfs/dbraw/zinc/69/94/36/573699436.db2.gz GXIKLUJSVPSLPT-SNVBAGLBSA-N 2 1 197.326 0.504 10 0 ACAEMP NC(=[NH2+])N1CC[N@H+]2CCCC[C@H]2C1 86930102 573699472 /nfs/dbraw/zinc/69/94/72/573699472.db2.gz QRSLWMCCJNIDLY-QMMMGPOBSA-N 2 1 182.271 0.050 10 0 ACAEMP C[C@H](C[NH3+])N1CC[N@H+]2CCC[C@@H]2C1 86931911 573699588 /nfs/dbraw/zinc/69/95/88/573699588.db2.gz UAVYNTCCLLPSGM-NXEZZACHSA-N 2 1 183.299 0.114 10 0 ACAEMP CCC[C@@H](O)C[NH2+]CC(C)(C)[NH2+]C 393551566 573699620 /nfs/dbraw/zinc/69/96/20/573699620.db2.gz GREXWLPVWVDZEK-SECBINFHSA-N 2 1 188.315 0.735 10 0 ACAEMP Cn1nc([C@@H]2CC[N@@H+](C)C2)cc1C[NH3+] 257848335 573699744 /nfs/dbraw/zinc/69/97/44/573699744.db2.gz ATZSOMOAEIURPU-MRVPVSSYSA-N 2 1 194.282 0.298 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)N1CC[N@H+]2CCC[C@@H]2C1 86932314 573699876 /nfs/dbraw/zinc/69/98/76/573699876.db2.gz JCWDVSRMXGWOJI-GARJFASQSA-N 2 1 197.326 0.502 10 0 ACAEMP CC[C@H]([NH3+])CN1CC[N@H+]2CCC[C@@H]2C1 86932328 573700152 /nfs/dbraw/zinc/70/01/52/573700152.db2.gz HGIFOYFAIYQHMB-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP OC[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]2)C1 236504947 573700226 /nfs/dbraw/zinc/70/02/26/573700226.db2.gz XWUCOUCHJVYSOE-MNOVXSKESA-N 2 1 198.310 0.443 10 0 ACAEMP OC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]2)C1 236504947 573700231 /nfs/dbraw/zinc/70/02/31/573700231.db2.gz XWUCOUCHJVYSOE-MNOVXSKESA-N 2 1 198.310 0.443 10 0 ACAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(N)=[NH2+] 86932825 573700916 /nfs/dbraw/zinc/70/09/16/573700916.db2.gz WSYLKZCPVNNDAQ-HTQZYQBOSA-N 2 1 182.271 0.048 10 0 ACAEMP [NH3+][C@H]1CC[N@H+](CCC2CC2)C1 83895165 573700296 /nfs/dbraw/zinc/70/02/96/573700296.db2.gz VTIIHJKTGANOBS-VIFPVBQESA-N 2 1 154.257 0.820 10 0 ACAEMP [NH3+][C@H]1CC[N@@H+](CCC2CC2)C1 83895165 573700299 /nfs/dbraw/zinc/70/02/99/573700299.db2.gz VTIIHJKTGANOBS-VIFPVBQESA-N 2 1 154.257 0.820 10 0 ACAEMP C[C@@H](CC[NH3+])N1CC[N@H+]2CCC[C@@H]2C1 86931868 573700455 /nfs/dbraw/zinc/70/04/55/573700455.db2.gz KQKKHLLKTZOLBJ-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP C[NH2+]C[C@H](C)N1CC[N@H+]2CCC[C@@H]2C1 86933406 573700579 /nfs/dbraw/zinc/70/05/79/573700579.db2.gz LBYOCXXBTGWRNT-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP [NH3+]CC[NH2+]CC(C1CC1)C1CC1 83910874 573700608 /nfs/dbraw/zinc/70/06/08/573700608.db2.gz BFDJINYOMPSSAG-UHFFFAOYSA-N 2 1 168.284 0.971 10 0 ACAEMP Cn1nc([C@H]2CC[N@@H+](C)C2)cc1C[NH3+] 257848336 573700674 /nfs/dbraw/zinc/70/06/74/573700674.db2.gz ATZSOMOAEIURPU-QMMMGPOBSA-N 2 1 194.282 0.298 10 0 ACAEMP C[C@@H]([NH3+])CN1C[C@H]2CCC[N@H+]2C[C@H]1C 86932144 573700683 /nfs/dbraw/zinc/70/06/83/573700683.db2.gz QVVPTYPWYAXECM-GMTAPVOTSA-N 2 1 197.326 0.502 10 0 ACAEMP [NH3+]C/C=C/CN1CC[N@H+]2CCC[C@H]2C1 86932603 573700937 /nfs/dbraw/zinc/70/09/37/573700937.db2.gz NTNPPPASINVMTP-GXFZAYBSSA-N 2 1 195.310 0.281 10 0 ACAEMP CC(C)[NH2+]C[C@@H](N)[C@H]1CCC[N@@H+](C)C1 259168563 573701016 /nfs/dbraw/zinc/70/10/16/573701016.db2.gz DVIZTONFVCTGAC-WDEREUQCSA-N 2 1 199.342 0.654 10 0 ACAEMP [NH3+]CC[NH2+][C@@H](CO)Cc1ccccc1 308687433 573701056 /nfs/dbraw/zinc/70/10/56/573701056.db2.gz QHKOJFWSNBRAJH-LLVKDONJSA-N 2 1 194.278 0.138 10 0 ACAEMP C[C@@H](C[NH3+])CN1CC[N@H+]2CCC[C@@H]2C1 86931906 573701057 /nfs/dbraw/zinc/70/10/57/573701057.db2.gz MPBXACICJOFKRJ-WDEREUQCSA-N 2 1 197.326 0.361 10 0 ACAEMP NC(=[NH2+])CCN1CC[N@H+]2CCC[C@H]2C1 86932659 573701159 /nfs/dbraw/zinc/70/11/59/573701159.db2.gz FWIYWPJPXUFRQG-VIFPVBQESA-N 2 1 196.298 0.092 10 0 ACAEMP CC1(C)C[C@]([NH3+])(C[NH3+])C(C)(C)O1 86927624 573701425 /nfs/dbraw/zinc/70/14/25/573701425.db2.gz HNJAVCJYXRDLGP-VIFPVBQESA-N 2 1 172.272 0.620 10 0 ACAEMP CCCN(C)[C@]1(C[NH3+])C[C@H](C)[N@@H+](C)C1 126871071 573701565 /nfs/dbraw/zinc/70/15/65/573701565.db2.gz KHBLVMCSCJIJMH-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP C[NH2+]CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C 86932211 573701591 /nfs/dbraw/zinc/70/15/91/573701591.db2.gz DJZAFZQUZHCYHS-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(N)=[NH2+] 86932641 573701658 /nfs/dbraw/zinc/70/16/58/573701658.db2.gz FIRMAXPRKXNAJQ-RKDXNWHRSA-N 2 1 196.298 0.091 10 0 ACAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C1C[NH2+]C1 86932552 573701738 /nfs/dbraw/zinc/70/17/38/573701738.db2.gz DTLDMYXBIPGTHR-NXEZZACHSA-N 2 1 195.310 0.127 10 0 ACAEMP CC(C)[NH2+]C[C@@H](N)[C@@H]1CCC[N@@H+](C)C1 259168550 573701826 /nfs/dbraw/zinc/70/18/26/573701826.db2.gz DVIZTONFVCTGAC-GHMZBOCLSA-N 2 1 199.342 0.654 10 0 ACAEMP CC1(C)C[C@@H]([NH2+]CC[NH3+])C(C)(C)O1 86927211 573701832 /nfs/dbraw/zinc/70/18/32/573701832.db2.gz CFNQHDHUQAHQCO-MRVPVSSYSA-N 2 1 186.299 0.881 10 0 ACAEMP C[C@@H](C[NH3+])N1CC[N@H+]2CCC[C@@H]2C1 86931909 573701861 /nfs/dbraw/zinc/70/18/61/573701861.db2.gz UAVYNTCCLLPSGM-VHSXEESVSA-N 2 1 183.299 0.114 10 0 ACAEMP C1C[C@H]2CN([C@@H]3CC[NH2+]C3)CC[N@H+]2C1 86932577 573701871 /nfs/dbraw/zinc/70/18/71/573701871.db2.gz XBVJMIKMWHGHCT-MNOVXSKESA-N 2 1 195.310 0.128 10 0 ACAEMP C[NH2+][C@H](C)CN1CC[N@H+]2CCC[C@@H]2C1 86932372 573701885 /nfs/dbraw/zinc/70/18/85/573701885.db2.gz XJWCZVZUKHFWOE-GHMZBOCLSA-N 2 1 197.326 0.374 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H]([NH3+])C[C@H]2CC[NH2+]C2)C1 259558442 573701931 /nfs/dbraw/zinc/70/19/31/573701931.db2.gz XWKGIECRSODZIB-OUAUKWLOSA-N 3 1 197.326 0.265 10 0 ACAEMP [NH3+]C1(CN2CC[N@H+]3CCC[C@H]3C2)CC1 86932987 573702015 /nfs/dbraw/zinc/70/20/15/573702015.db2.gz FEIUFBJLQYOXQM-JTQLQIEISA-N 2 1 195.310 0.258 10 0 ACAEMP C[NH2+]CCN1C[C@H]2CCC[N@H+]2C[C@H]1C 86932209 573702093 /nfs/dbraw/zinc/70/20/93/573702093.db2.gz DJZAFZQUZHCYHS-GHMZBOCLSA-N 2 1 197.326 0.374 10 0 ACAEMP c1cc(-n2ncc3c2C[NH2+]C3)cc[nH+]1 237998200 573702109 /nfs/dbraw/zinc/70/21/09/573702109.db2.gz WMFWSLXAUHCHJL-UHFFFAOYSA-N 2 1 186.218 0.871 10 0 ACAEMP CNC(=[NH2+])N1C[C@H]2CCC[N@H+]2C[C@H]1C 86932822 573702149 /nfs/dbraw/zinc/70/21/49/573702149.db2.gz PFDXPMSIZLRTIP-RKDXNWHRSA-N 2 1 196.298 0.309 10 0 ACAEMP C[C@@H]([NH3+])C[N@@H+](CCO)C1CCCC1 308685638 573702183 /nfs/dbraw/zinc/70/21/83/573702183.db2.gz ZIZOOWVFQCINMY-SECBINFHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[NH2+][C@@]1(C[NH3+])CS[C@@H](C)C1 86936775 573703129 /nfs/dbraw/zinc/70/31/29/573703129.db2.gz UNMXDHHUJHQKNM-BQBZGAKWSA-N 2 1 160.286 0.429 10 0 ACAEMP C[C@H]1C[C@@H]([NH2+]CC[NH3+])CS1 86935251 573703359 /nfs/dbraw/zinc/70/33/59/573703359.db2.gz XWZVFGWEJRKVBG-NKWVEPMBSA-N 2 1 160.286 0.429 10 0 ACAEMP C[NH2+][C@]1(C[NH3+])CS[C@@H](C)C1 86936777 573703372 /nfs/dbraw/zinc/70/33/72/573703372.db2.gz UNMXDHHUJHQKNM-NKWVEPMBSA-N 2 1 160.286 0.429 10 0 ACAEMP [NH3+]CC[NH2+][C@H](CO)Cc1ccccc1 308687437 573703453 /nfs/dbraw/zinc/70/34/53/573703453.db2.gz QHKOJFWSNBRAJH-NSHDSACASA-N 2 1 194.278 0.138 10 0 ACAEMP CC[NH2+][C@]1(C[NH3+])CS[C@@H](C)C1 86936779 573703488 /nfs/dbraw/zinc/70/34/88/573703488.db2.gz HRUWMDSWGCMJKO-JGVFFNPUSA-N 2 1 174.313 0.819 10 0 ACAEMP 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259171202 573704897 /nfs/dbraw/zinc/70/48/97/573704897.db2.gz DWFDCHVECOKJQR-BBBLOLIVSA-N 2 1 185.315 0.250 10 0 ACAEMP C[C@H](C[NH3+])[C@H](N)[C@@H]1CCC[N@@H+](C)C1 259171202 573704902 /nfs/dbraw/zinc/70/49/02/573704902.db2.gz DWFDCHVECOKJQR-BBBLOLIVSA-N 2 1 185.315 0.250 10 0 ACAEMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](C)N 308690092 573704985 /nfs/dbraw/zinc/70/49/85/573704985.db2.gz RDMUMOLNQDIYSH-ZJUUUORDSA-N 2 1 199.342 0.654 10 0 ACAEMP [NH3+]CC1([C@H]([NH3+])c2cccs2)COC1 259171965 573705723 /nfs/dbraw/zinc/70/57/23/573705723.db2.gz CKBLMWNIVJFCAU-MRVPVSSYSA-N 2 1 198.291 0.723 10 0 ACAEMP C[C@H](N)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 308690087 573705550 /nfs/dbraw/zinc/70/55/50/573705550.db2.gz RDMUMOLNQDIYSH-UWVGGRQHSA-N 2 1 199.342 0.654 10 0 ACAEMP C[C@H]1C[C@](C[NH3+])([NH2+]C2CC2)CS1 86936793 573707347 /nfs/dbraw/zinc/70/73/47/573707347.db2.gz PSLNAWWMRYLXGT-IONNQARKSA-N 2 1 186.324 0.961 10 0 ACAEMP C[C@H](C[NH3+])[C@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 259171207 573707486 /nfs/dbraw/zinc/70/74/86/573707486.db2.gz DWFDCHVECOKJQR-UTLUCORTSA-N 3 1 185.315 0.250 10 0 ACAEMP C[C@H](C[NH3+])[C@H](N)[C@H]1CCC[N@H+](C)C1 259171207 573707491 /nfs/dbraw/zinc/70/74/91/573707491.db2.gz DWFDCHVECOKJQR-UTLUCORTSA-N 2 1 185.315 0.250 10 0 ACAEMP C[C@H](C[NH3+])[C@H](N)[C@H]1CCC[N@@H+](C)C1 259171207 573707495 /nfs/dbraw/zinc/70/74/95/573707495.db2.gz DWFDCHVECOKJQR-UTLUCORTSA-N 2 1 185.315 0.250 10 0 ACAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])C2)CS1 86937560 573707582 /nfs/dbraw/zinc/70/75/82/573707582.db2.gz GZKJNNMPUDUDIM-VGMNWLOBSA-N 2 1 186.324 0.913 10 0 ACAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])C2)CS1 86937560 573707587 /nfs/dbraw/zinc/70/75/87/573707587.db2.gz GZKJNNMPUDUDIM-VGMNWLOBSA-N 2 1 186.324 0.913 10 0 ACAEMP C[N@H+]1CC[C@@H](CNCC2(C[NH3+])CC2)C1 258888486 573707827 /nfs/dbraw/zinc/70/78/27/573707827.db2.gz JSTHHDGIQHGRJL-JTQLQIEISA-N 2 1 197.326 0.267 10 0 ACAEMP C[N@@H+]1CC[C@@H](C[NH2+]CC2(C[NH3+])CC2)C1 258888486 573707831 /nfs/dbraw/zinc/70/78/31/573707831.db2.gz JSTHHDGIQHGRJL-JTQLQIEISA-N 3 1 197.326 0.267 10 0 ACAEMP C[N@H+]1CC[C@@H](C[NH2+]CC2(C[NH3+])CC2)C1 258888486 573707833 /nfs/dbraw/zinc/70/78/33/573707833.db2.gz JSTHHDGIQHGRJL-JTQLQIEISA-N 3 1 197.326 0.267 10 0 ACAEMP C[N@H+]1CCC[C@@H]1C[C@@H]1NCCO1 258100939 573707838 /nfs/dbraw/zinc/70/78/38/573707838.db2.gz KNTDRBKGKDIWPS-RKDXNWHRSA-N 2 1 170.256 0.417 10 0 ACAEMP C[N@@H+]1CCC[C@@H]1C[C@@H]1[NH2+]CCO1 258100939 573707842 /nfs/dbraw/zinc/70/78/42/573707842.db2.gz KNTDRBKGKDIWPS-RKDXNWHRSA-N 2 1 170.256 0.417 10 0 ACAEMP C[N@H+]1CCC[C@@H]1C[C@@H]1[NH2+]CCO1 258100939 573707845 /nfs/dbraw/zinc/70/78/45/573707845.db2.gz KNTDRBKGKDIWPS-RKDXNWHRSA-N 2 1 170.256 0.417 10 0 ACAEMP C[C@H](C1CC1)[N@@H+](C)C[C@@H](O)CC[NH3+] 393554830 573708087 /nfs/dbraw/zinc/70/80/87/573708087.db2.gz NVRRHOGMHNNRGZ-SCZZXKLOSA-N 2 1 186.299 0.426 10 0 ACAEMP C[NH2+]C(C)(C)C[NH2+]C1(CO)CCC1 393553880 573708206 /nfs/dbraw/zinc/70/82/06/573708206.db2.gz LEYNLMLNXYFJQL-UHFFFAOYSA-N 2 1 186.299 0.489 10 0 ACAEMP C[C@H](C1CC1)[N@@H+](C)C[C@H](O)CC[NH3+] 393554827 573708264 /nfs/dbraw/zinc/70/82/64/573708264.db2.gz NVRRHOGMHNNRGZ-PSASIEDQSA-N 2 1 186.299 0.426 10 0 ACAEMP C[NH2+][C@]1(C[NH3+])CCCS[C@@H]1C 86946230 573708388 /nfs/dbraw/zinc/70/83/88/573708388.db2.gz KUGDSIYGDNFOCK-SFYZADRCSA-N 2 1 174.313 0.819 10 0 ACAEMP C[C@@H](N)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 308690084 573708441 /nfs/dbraw/zinc/70/84/41/573708441.db2.gz RDMUMOLNQDIYSH-NXEZZACHSA-N 2 1 199.342 0.654 10 0 ACAEMP C[N@H+]1CCC[C@@H]1C[C@H]1NCCO1 258100865 573708559 /nfs/dbraw/zinc/70/85/59/573708559.db2.gz KNTDRBKGKDIWPS-BDAKNGLRSA-N 2 1 170.256 0.417 10 0 ACAEMP C[N@@H+]1CCC[C@@H]1C[C@H]1[NH2+]CCO1 258100865 573708566 /nfs/dbraw/zinc/70/85/66/573708566.db2.gz KNTDRBKGKDIWPS-BDAKNGLRSA-N 2 1 170.256 0.417 10 0 ACAEMP C[N@H+]1CCC[C@@H]1C[C@H]1[NH2+]CCO1 258100865 573708569 /nfs/dbraw/zinc/70/85/69/573708569.db2.gz KNTDRBKGKDIWPS-BDAKNGLRSA-N 2 1 170.256 0.417 10 0 ACAEMP 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174.313 0.819 10 0 ACAEMP C[N@H+]1CCOC[C@H]1CCC[NH3+] 108284443 573722922 /nfs/dbraw/zinc/72/29/22/573722922.db2.gz MZNPTDKMTOUQDV-MRVPVSSYSA-N 2 1 158.245 0.056 10 0 ACAEMP CC[N@@H+]1CC[C@@H]([C@H]2[NH2+]CCCO2)C1 258095132 573712906 /nfs/dbraw/zinc/71/29/06/573712906.db2.gz KEKOZZCLTPKSMU-ZJUUUORDSA-N 2 1 184.283 0.664 10 0 ACAEMP CC[N@H+]1CC[C@@H]([C@H]2[NH2+]CCCO2)C1 258095132 573712910 /nfs/dbraw/zinc/71/29/10/573712910.db2.gz KEKOZZCLTPKSMU-ZJUUUORDSA-N 2 1 184.283 0.664 10 0 ACAEMP CC[N@@H+]1CC[C@@H]([C@@H]2[NH2+]CCCO2)C1 258095105 573713178 /nfs/dbraw/zinc/71/31/78/573713178.db2.gz KEKOZZCLTPKSMU-NXEZZACHSA-N 2 1 184.283 0.664 10 0 ACAEMP CC[N@H+]1CC[C@@H]([C@@H]2[NH2+]CCCO2)C1 258095105 573713184 /nfs/dbraw/zinc/71/31/84/573713184.db2.gz KEKOZZCLTPKSMU-NXEZZACHSA-N 2 1 184.283 0.664 10 0 ACAEMP CC(C)([NH3+])C[NH+]1CCC1 108280291 573715562 /nfs/dbraw/zinc/71/55/62/573715562.db2.gz UUCWJQWEPSFGSP-UHFFFAOYSA-N 2 1 128.219 0.429 10 0 ACAEMP C[N@@H+]1CCC[C@]2(CC1)COC(N)=[NH+]2 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308693610 573722214 /nfs/dbraw/zinc/72/22/14/573722214.db2.gz SENYHSUHRLCVLR-SNVBAGLBSA-N 2 1 199.342 0.655 10 0 ACAEMP CN1CC[NH2+]C[C@H]1C[NH2+]CC(C)(C)C 258891614 573722543 /nfs/dbraw/zinc/72/25/43/573722543.db2.gz KBNXRIIHHOSOIT-JTQLQIEISA-N 2 1 199.342 0.526 10 0 ACAEMP C1C[NH2+][C@H](CC[NH+]2CCC2)C1 108282968 573722900 /nfs/dbraw/zinc/72/29/00/573722900.db2.gz RHRQKDVFZVOKFS-VIFPVBQESA-N 2 1 154.257 0.834 10 0 ACAEMP CC[N@@H+]1CCC[C@]2(CC1)COC(N)=[NH+]2 83965098 573722946 /nfs/dbraw/zinc/72/29/46/573722946.db2.gz JUVIKFXIHXKHBZ-JTQLQIEISA-N 2 1 197.282 0.576 10 0 ACAEMP CC[N@H+]1CCC[C@]2(CC1)COC(N)=[NH+]2 83965098 573722950 /nfs/dbraw/zinc/72/29/50/573722950.db2.gz JUVIKFXIHXKHBZ-JTQLQIEISA-N 2 1 197.282 0.576 10 0 ACAEMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2C[NH3+] 108282988 573723175 /nfs/dbraw/zinc/72/31/75/573723175.db2.gz UGRZFHMIDSVNPX-JVHMLUBASA-N 2 1 154.257 0.533 10 0 ACAEMP CN1CC[NH2+]C[C@@H]1C[NH2+]CC(C)(C)C 258891616 573723319 /nfs/dbraw/zinc/72/33/19/573723319.db2.gz 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2 1 192.262 0.888 10 0 ACAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCO 126940761 573726672 /nfs/dbraw/zinc/72/66/72/573726672.db2.gz GZVBKHBFRSUWOV-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP COC[C@H](C)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 393556563 573726887 /nfs/dbraw/zinc/72/68/87/573726887.db2.gz OYZUHZZARAKUOR-LPEHRKFASA-N 2 1 186.299 0.690 10 0 ACAEMP COC[C@H](C)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 393556563 573726892 /nfs/dbraw/zinc/72/68/92/573726892.db2.gz OYZUHZZARAKUOR-LPEHRKFASA-N 2 1 186.299 0.690 10 0 ACAEMP C[N@H+]1CCC[C@]2(CC1)C[NH+]=C(N)O2 83967198 573726981 /nfs/dbraw/zinc/72/69/81/573726981.db2.gz YGLYUDLGUHXFJS-VIFPVBQESA-N 2 1 183.255 0.186 10 0 ACAEMP C[C@H]([NH3+])c1nc([C@H]2CCC[NH2+]C2)no1 258108299 573727297 /nfs/dbraw/zinc/72/72/97/573727297.db2.gz SOGPJLBTWPKWNK-BQBZGAKWSA-N 2 1 196.254 0.556 10 0 ACAEMP COC[C@H](C)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 393556559 573728689 /nfs/dbraw/zinc/72/86/89/573728689.db2.gz OYZUHZZARAKUOR-AEJSXWLSSA-N 2 1 186.299 0.690 10 0 ACAEMP COC[C@H](C)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 393556559 573728693 /nfs/dbraw/zinc/72/86/93/573728693.db2.gz OYZUHZZARAKUOR-AEJSXWLSSA-N 2 1 186.299 0.690 10 0 ACAEMP C[C@H]([NH3+])c1nc([C@@H]2CCC[NH2+]C2)no1 258108300 573728725 /nfs/dbraw/zinc/72/87/25/573728725.db2.gz SOGPJLBTWPKWNK-NKWVEPMBSA-N 2 1 196.254 0.556 10 0 ACAEMP COC[C@H](C)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 393556562 573728909 /nfs/dbraw/zinc/72/89/09/573728909.db2.gz OYZUHZZARAKUOR-IVZWLZJFSA-N 2 1 186.299 0.690 10 0 ACAEMP COC[C@H](C)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 393556562 573728913 /nfs/dbraw/zinc/72/89/13/573728913.db2.gz OYZUHZZARAKUOR-IVZWLZJFSA-N 2 1 186.299 0.690 10 0 ACAEMP C[NH+]1CCN(CC/C=C\C[NH3+])CC1 258107927 573729035 /nfs/dbraw/zinc/72/90/35/573729035.db2.gz YPOLUVMDKIFABA-IHWYPQMZSA-N 2 1 183.299 0.139 10 0 ACAEMP [NH3+]C1CC(C[NH+]2C[C@H](F)[C@@H](F)C2)C1 714735018 573729129 /nfs/dbraw/zinc/72/91/29/573729129.db2.gz NDTDLTQRHCEVAD-PEBLOWIWSA-N 2 1 190.237 0.716 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C/C=C\CO 717547187 573729276 /nfs/dbraw/zinc/72/92/76/573729276.db2.gz JYNONXUPPUVQET-CJOPTALJSA-N 2 1 198.310 0.465 10 0 ACAEMP C[C@@H]([NH3+])c1nc([C@H]2CCC[NH2+]C2)no1 258108302 573729337 /nfs/dbraw/zinc/72/93/37/573729337.db2.gz SOGPJLBTWPKWNK-RQJHMYQMSA-N 2 1 196.254 0.556 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C/C=C/CO 717547192 573729477 /nfs/dbraw/zinc/72/94/77/573729477.db2.gz JYNONXUPPUVQET-YIZUVKHSSA-N 2 1 198.310 0.465 10 0 ACAEMP COCCCC[N@@H+](C)CCC(N)=[NH2+] 130914240 573729655 /nfs/dbraw/zinc/72/96/55/573729655.db2.gz NFAZZAXZVXYODH-UHFFFAOYSA-N 2 1 187.287 0.671 10 0 ACAEMP C1CCC(C2=[NH+][C@@H]3C[NH2+]C[C@H]3N2)C1 257851734 573730004 /nfs/dbraw/zinc/73/00/04/573730004.db2.gz BIBMWMSLPRQJGO-RKDXNWHRSA-N 2 1 179.267 0.519 10 0 ACAEMP [NH3+]C1CC(C[NH+]2C[C@@H](F)[C@H](F)C2)C1 714735017 573730099 /nfs/dbraw/zinc/73/00/99/573730099.db2.gz NDTDLTQRHCEVAD-GEPGNKONSA-N 2 1 190.237 0.716 10 0 ACAEMP Cc1[nH+]c2n(c1CC[NH3+])CCC2 108285720 573730208 /nfs/dbraw/zinc/73/02/08/573730208.db2.gz CDYLGPPODDPDLE-UHFFFAOYSA-N 2 1 165.240 0.639 10 0 ACAEMP C[C@@H](O)CC[N@@H+]1CCC[NH2+]CC1 108290149 573732692 /nfs/dbraw/zinc/73/26/92/573732692.db2.gz OXHMCHDHJANUFV-SECBINFHSA-N 2 1 172.272 0.053 10 0 ACAEMP C[C@@H](O)CC[N@H+]1CCC[NH2+]CC1 108290149 573732695 /nfs/dbraw/zinc/73/26/95/573732695.db2.gz OXHMCHDHJANUFV-SECBINFHSA-N 2 1 172.272 0.053 10 0 ACAEMP C[C@@H]([NH3+])c1cnn([C@H]2CC[N@@H+](C)C2)c1 257851922 573732725 /nfs/dbraw/zinc/73/27/25/573732725.db2.gz PEZZDDUNQOUTHN-SCZZXKLOSA-N 2 1 194.282 0.779 10 0 ACAEMP O=C1CCC[N@H+](CC2CC[NH2+]CC2)C1 258109641 573732999 /nfs/dbraw/zinc/73/29/99/573732999.db2.gz OOUFJTOEWONANG-UHFFFAOYSA-N 2 1 196.294 0.651 10 0 ACAEMP O=C1CCC[N@@H+](CC2CC[NH2+]CC2)C1 258109641 573733002 /nfs/dbraw/zinc/73/30/02/573733002.db2.gz OOUFJTOEWONANG-UHFFFAOYSA-N 2 1 196.294 0.651 10 0 ACAEMP CCCC1=[NH+][C@@H]2C[NH2+]C[C@H]2N1 258112597 573733301 /nfs/dbraw/zinc/73/33/01/573733301.db2.gz VSQCLCBCERDBSS-RNFRBKRXSA-N 2 1 153.229 0.129 10 0 ACAEMP CCCC1=[NH+][C@H]2C[NH2+]C[C@@H]2N1 258112591 573733510 /nfs/dbraw/zinc/73/35/10/573733510.db2.gz VSQCLCBCERDBSS-BQBZGAKWSA-N 2 1 153.229 0.129 10 0 ACAEMP CC[N@@H+]1C[C@H]2CC[C@@H](C1)C2C[NH3+] 108287610 573734515 /nfs/dbraw/zinc/73/45/15/573734515.db2.gz KWJQNWZOCLGLON-ULKQDVFKSA-N 2 1 168.284 0.923 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC12CC(CO1)C2 716133806 573734257 /nfs/dbraw/zinc/73/42/57/573734257.db2.gz WCOXMJWYAQXFIV-VKAADOFISA-N 2 1 196.294 0.587 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC12CC(CO1)C2 716133806 573734262 /nfs/dbraw/zinc/73/42/62/573734262.db2.gz WCOXMJWYAQXFIV-VKAADOFISA-N 2 1 196.294 0.587 10 0 ACAEMP CCCC1=[NH+][C@H]2C[NH2+]C[C@H]2N1 258112595 573734284 /nfs/dbraw/zinc/73/42/84/573734284.db2.gz VSQCLCBCERDBSS-KNVOCYPGSA-N 2 1 153.229 0.129 10 0 ACAEMP C[NH2+]CCCC[NH2+]C1CC[NH+](C)CC1 258896312 573734298 /nfs/dbraw/zinc/73/42/98/573734298.db2.gz LXEDLDLUNPJRNX-UHFFFAOYSA-N 3 1 199.342 0.670 10 0 ACAEMP CC[N@H+]1CC[C@@H](n2nccc2C[NH3+])C1 257853438 573734338 /nfs/dbraw/zinc/73/43/38/573734338.db2.gz PMSYVBXCYCEQKG-SNVBAGLBSA-N 2 1 194.282 0.609 10 0 ACAEMP C[C@H](O)CC[N@@H+]1CCC[NH2+]CC1 108290146 573734847 /nfs/dbraw/zinc/73/48/47/573734847.db2.gz OXHMCHDHJANUFV-VIFPVBQESA-N 2 1 172.272 0.053 10 0 ACAEMP C[C@H](O)CC[N@H+]1CCC[NH2+]CC1 108290146 573734853 /nfs/dbraw/zinc/73/48/53/573734853.db2.gz OXHMCHDHJANUFV-VIFPVBQESA-N 2 1 172.272 0.053 10 0 ACAEMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2CC[NH3+] 108287598 573735878 /nfs/dbraw/zinc/73/58/78/573735878.db2.gz JFINDVLYWGEFJU-ULKQDVFKSA-N 2 1 168.284 0.923 10 0 ACAEMP C[N@@H+]1CCC[C@H]([C@H]2[NH2+]CCCO2)C1 258113793 573735755 /nfs/dbraw/zinc/73/57/55/573735755.db2.gz LQYHMUZUMIMFQC-UWVGGRQHSA-N 2 1 184.283 0.664 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H]2[NH2+]CCCO2)C1 258113793 573735759 /nfs/dbraw/zinc/73/57/59/573735759.db2.gz LQYHMUZUMIMFQC-UWVGGRQHSA-N 2 1 184.283 0.664 10 0 ACAEMP CN1CC[C@H]([N@@H+](C)CC2CC([NH3+])C2)C1 258896484 573735921 /nfs/dbraw/zinc/73/59/21/573735921.db2.gz CYZVKNLCBZRFNA-ILDUYXDCSA-N 2 1 197.326 0.360 10 0 ACAEMP C[N@H+]1CC[C@H](C[C@H]2C[NH2+][C@@H](CO)C2)C1 258114313 573736939 /nfs/dbraw/zinc/73/69/39/573736939.db2.gz HXUAKOKSEGAOEH-GMTAPVOTSA-N 2 1 198.310 0.299 10 0 ACAEMP [NH3+]C1(c2nc([C@@H]3CC[NH2+]C3)co2)CC1 257858511 573737118 /nfs/dbraw/zinc/73/71/18/573737118.db2.gz QLQFQBBFXCKUAT-SSDOTTSWSA-N 2 1 193.250 0.699 10 0 ACAEMP CC[C@@H](C1C[NH2+]C1)[N@H+]1CC[C@@H](CO)C1 716144991 573737217 /nfs/dbraw/zinc/73/72/17/573737217.db2.gz OMFJLWUFXNIMBH-KOLCDFICSA-N 2 1 198.310 0.299 10 0 ACAEMP C[C@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 715006852 573737235 /nfs/dbraw/zinc/73/72/35/573737235.db2.gz LBURTEIUYLNHOK-HBNTYKKESA-N 2 1 198.310 0.441 10 0 ACAEMP [NH3+][C@H](Cc1c[nH]cn1)C(F)F 143275461 573737395 /nfs/dbraw/zinc/73/73/95/573737395.db2.gz KEEZVRAORFFYPZ-RXMQYKEDSA-N 2 1 161.155 0.545 10 0 ACAEMP C[N@H+]1CC[C@H](C[C@@H]2C[NH2+][C@H](CO)C2)C1 258114323 573737443 /nfs/dbraw/zinc/73/74/43/573737443.db2.gz HXUAKOKSEGAOEH-VWYCJHECSA-N 2 1 198.310 0.299 10 0 ACAEMP CC[C@H](C[NH3+])C[N@@H+](C)C[C@H](C)OC 393559713 573737780 /nfs/dbraw/zinc/73/77/80/573737780.db2.gz YCCXYYOLROCMBJ-VHSXEESVSA-N 2 1 188.315 0.938 10 0 ACAEMP CO[C@H](C[NH3+])C[N@@H+](C)CCCF 716773645 573737585 /nfs/dbraw/zinc/73/75/85/573737585.db2.gz VRHXUENHPVKCOY-MRVPVSSYSA-N 2 1 178.251 0.252 10 0 ACAEMP C[C@@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 715006894 573737591 /nfs/dbraw/zinc/73/75/91/573737591.db2.gz LBURTEIUYLNHOK-VWYCJHECSA-N 2 1 198.310 0.441 10 0 ACAEMP CC[C@H](C[NH3+])C[N@@H+](C)C[C@@H](C)OC 393559710 573737807 /nfs/dbraw/zinc/73/78/07/573737807.db2.gz YCCXYYOLROCMBJ-NXEZZACHSA-N 2 1 188.315 0.938 10 0 ACAEMP C[N@H+]1CC[C@H](C[C@@H]2C[NH2+][C@@H](CO)C2)C1 258114321 573738241 /nfs/dbraw/zinc/73/82/41/573738241.db2.gz HXUAKOKSEGAOEH-OUAUKWLOSA-N 2 1 198.310 0.299 10 0 ACAEMP CC[N@H+]1CC[C@H](n2nccc2C[NH3+])C1 257853434 573737857 /nfs/dbraw/zinc/73/78/57/573737857.db2.gz PMSYVBXCYCEQKG-JTQLQIEISA-N 2 1 194.282 0.609 10 0 ACAEMP Nc1nc2[nH]cc(CC[NH3+])c2c[nH+]1 108291515 573738069 /nfs/dbraw/zinc/73/80/69/573738069.db2.gz WYCHSBSKINKHCN-UHFFFAOYSA-N 2 1 177.211 0.041 10 0 ACAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCO 126914542 573740981 /nfs/dbraw/zinc/74/09/81/573740981.db2.gz URPPKUJQZMVPLD-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCO 126915006 573739963 /nfs/dbraw/zinc/73/99/63/573739963.db2.gz URPPKUJQZMVPLD-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP CC(C)N1[C@H](C)C[N@H+](C)C[C@H]1C[NH3+] 251630510 573740098 /nfs/dbraw/zinc/74/00/98/573740098.db2.gz IIJYBKRMAQFEKS-NXEZZACHSA-N 2 1 185.315 0.358 10 0 ACAEMP CC(C)N1[C@H](C)C[N@@H+](C)C[C@H]1C[NH3+] 251630510 573740103 /nfs/dbraw/zinc/74/01/03/573740103.db2.gz IIJYBKRMAQFEKS-NXEZZACHSA-N 2 1 185.315 0.358 10 0 ACAEMP CC[C@H](C1C[NH2+]C1)[N@H+]1CC[C@@H](CO)C1 716144993 573740175 /nfs/dbraw/zinc/74/01/75/573740175.db2.gz OMFJLWUFXNIMBH-MWLCHTKSSA-N 2 1 198.310 0.299 10 0 ACAEMP [NH3+]Cc1cc(CC[NH+]2CCCC2)[nH]n1 258420379 573740298 /nfs/dbraw/zinc/74/02/98/573740298.db2.gz DTHFEDQTEMORSY-UHFFFAOYSA-N 2 1 194.282 0.507 10 0 ACAEMP CC[C@@H]([NH3+])C[C@H]1C[N@@H+](C)CCN1 259619837 573740335 /nfs/dbraw/zinc/74/03/35/573740335.db2.gz XWCNPEJFIFDNKW-BDAKNGLRSA-N 2 1 171.288 0.017 10 0 ACAEMP CC(C)N1[C@@H](C)C[N@H+](C)C[C@H]1C[NH3+] 251630514 573740367 /nfs/dbraw/zinc/74/03/67/573740367.db2.gz IIJYBKRMAQFEKS-VHSXEESVSA-N 2 1 185.315 0.358 10 0 ACAEMP CC(C)N1[C@@H](C)C[N@@H+](C)C[C@H]1C[NH3+] 251630514 573740371 /nfs/dbraw/zinc/74/03/71/573740371.db2.gz IIJYBKRMAQFEKS-VHSXEESVSA-N 2 1 185.315 0.358 10 0 ACAEMP [NH3+][C@@H](Cc1c[nH]cn1)C(F)F 143275258 573740667 /nfs/dbraw/zinc/74/06/67/573740667.db2.gz KEEZVRAORFFYPZ-YFKPBYRVSA-N 2 1 161.155 0.545 10 0 ACAEMP CC(C)[N@H+]1CC[C@H]([C@@H](N)C[NH3+])C1 258103523 573740739 /nfs/dbraw/zinc/74/07/39/573740739.db2.gz KLWAONRSWQEZSC-IUCAKERBSA-N 2 1 171.288 0.003 10 0 ACAEMP CCC[N@@H+](C)CCCN1CC[NH2+]CC1 258899621 573741333 /nfs/dbraw/zinc/74/13/33/573741333.db2.gz KSCNFRLKSZRNEQ-UHFFFAOYSA-N 2 1 199.342 0.624 10 0 ACAEMP CC[C@H]([NH3+])C[C@H]1C[N@@H+](C)CCN1 259619845 573741367 /nfs/dbraw/zinc/74/13/67/573741367.db2.gz XWCNPEJFIFDNKW-IUCAKERBSA-N 2 1 171.288 0.017 10 0 ACAEMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCO 126914784 573741524 /nfs/dbraw/zinc/74/15/24/573741524.db2.gz URPPKUJQZMVPLD-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@H](C1C[NH2+]C1)[N@H+]1CC[C@H](CO)C1 716144988 573741976 /nfs/dbraw/zinc/74/19/76/573741976.db2.gz OMFJLWUFXNIMBH-GXSJLCMTSA-N 2 1 198.310 0.299 10 0 ACAEMP CC[C@@H]([NH3+])C[C@@H]1C[N@@H+](C)CCN1 259619849 573742001 /nfs/dbraw/zinc/74/20/01/573742001.db2.gz XWCNPEJFIFDNKW-RKDXNWHRSA-N 2 1 171.288 0.017 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H]2CC[NH2+][C@H](CO)C2)C1 258513757 573742074 /nfs/dbraw/zinc/74/20/74/573742074.db2.gz LBISCUUHZBHQHC-DCAQKATOSA-N 2 1 198.310 0.299 10 0 ACAEMP CC(C)[N@H+]1CC[C@@H]([C@@H](N)C[NH3+])C1 258103518 573743261 /nfs/dbraw/zinc/74/32/61/573743261.db2.gz KLWAONRSWQEZSC-BDAKNGLRSA-N 2 1 171.288 0.003 10 0 ACAEMP CC(C)[N@H+]1CC[C@@H]([C@H](N)C[NH3+])C1 258103526 573743737 /nfs/dbraw/zinc/74/37/37/573743737.db2.gz KLWAONRSWQEZSC-RKDXNWHRSA-N 2 1 171.288 0.003 10 0 ACAEMP CC(C)[N@H+]1CC[C@H]([C@H](N)C[NH3+])C1 258103521 573743759 /nfs/dbraw/zinc/74/37/59/573743759.db2.gz KLWAONRSWQEZSC-DTWKUNHWSA-N 2 1 171.288 0.003 10 0 ACAEMP CC[C@@H](C1C[NH2+]C1)[N@H+]1CC[C@H](CO)C1 716144997 573744318 /nfs/dbraw/zinc/74/43/18/573744318.db2.gz OMFJLWUFXNIMBH-ONGXEEELSA-N 2 1 198.310 0.299 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H]2CC[NH2+][C@@H](CO)C2)C1 258513762 573744237 /nfs/dbraw/zinc/74/42/37/573744237.db2.gz LBISCUUHZBHQHC-OUAUKWLOSA-N 2 1 198.310 0.299 10 0 ACAEMP CC[N@H+]1CCCN([C@@H](C)C[NH3+])CC1 108298497 573746647 /nfs/dbraw/zinc/74/66/47/573746647.db2.gz UYGGTNPWHOPBMK-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP CCn1nc(C[NH3+])c2c1CC[N@@H+](C)C2 257863127 573746831 /nfs/dbraw/zinc/74/68/31/573746831.db2.gz RLJBHYHVHDMLNJ-UHFFFAOYSA-N 2 1 194.282 0.350 10 0 ACAEMP Nc1nc(N)c(CCC2([NH3+])CC2)c[nH+]1 257863145 573746919 /nfs/dbraw/zinc/74/69/19/573746919.db2.gz RMDLIQFTOLBCJT-UHFFFAOYSA-N 2 1 193.254 0.065 10 0 ACAEMP C1CC(C2=[NH+][C@H]3C[NH2+]C[C@H]3N2)C1 257863719 573746947 /nfs/dbraw/zinc/74/69/47/573746947.db2.gz CXGYBSGXGWEXHD-OCAPTIKFSA-N 2 1 165.240 0.129 10 0 ACAEMP C[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87042375 573749850 /nfs/dbraw/zinc/74/98/50/573749850.db2.gz XYTNXGHAWKZPPE-HLTSFMKQSA-N 2 1 172.272 0.036 10 0 ACAEMP C1CC(C2=[NH+][C@@H]3C[NH2+]C[C@H]3N2)C1 257863718 573748486 /nfs/dbraw/zinc/74/84/86/573748486.db2.gz CXGYBSGXGWEXHD-HTQZYQBOSA-N 2 1 165.240 0.129 10 0 ACAEMP C[N@H+]1CC[C@H](C2(CC[NH3+])COC2)C1 259181731 573748503 /nfs/dbraw/zinc/74/85/03/573748503.db2.gz JYXABMNREVNNGJ-VIFPVBQESA-N 2 1 184.283 0.304 10 0 ACAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+](CCCO)C1 87041619 573748532 /nfs/dbraw/zinc/74/85/32/573748532.db2.gz RWZOHMOFNZYUIW-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 87042379 573749907 /nfs/dbraw/zinc/74/99/07/573749907.db2.gz XYTNXGHAWKZPPE-IWSPIJDZSA-N 2 1 172.272 0.036 10 0 ACAEMP CC(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]([NH3+])[C@@H]12 238063510 573748762 /nfs/dbraw/zinc/74/87/62/573748762.db2.gz DKSUKPLTJHGMRT-BBBLOLIVSA-N 2 1 198.266 0.114 10 0 ACAEMP CC(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]([NH3+])[C@@H]12 238063510 573748767 /nfs/dbraw/zinc/74/87/67/573748767.db2.gz DKSUKPLTJHGMRT-BBBLOLIVSA-N 2 1 198.266 0.114 10 0 ACAEMP C[C@@H]([NH3+])CN1CCC[N@H+](C2CC2)CC1 108308945 573748891 /nfs/dbraw/zinc/74/88/91/573748891.db2.gz JUUBXDUIJJEMMG-SNVBAGLBSA-N 2 1 197.326 0.504 10 0 ACAEMP CC(C)[C@](C)(O)C[N@@H+](C)C[C@H](C)[NH3+] 393589329 573748917 /nfs/dbraw/zinc/74/89/17/573748917.db2.gz JTCLVJLXCYZDLB-VHSXEESVSA-N 2 1 188.315 0.672 10 0 ACAEMP C[C@H]([NH3+])CN1CCC[N@H+](C2CC2)CC1 108308943 573748971 /nfs/dbraw/zinc/74/89/71/573748971.db2.gz JUUBXDUIJJEMMG-JTQLQIEISA-N 2 1 197.326 0.504 10 0 ACAEMP COC[C@H](C)[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87039502 573749085 /nfs/dbraw/zinc/74/90/85/573749085.db2.gz FIXQSXSFDHQIBT-UTLUCORTSA-N 2 1 186.299 0.690 10 0 ACAEMP COC[C@H](C)[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87039502 573749091 /nfs/dbraw/zinc/74/90/91/573749091.db2.gz FIXQSXSFDHQIBT-UTLUCORTSA-N 2 1 186.299 0.690 10 0 ACAEMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)C[NH3+])C1 84046118 573749140 /nfs/dbraw/zinc/74/91/40/573749140.db2.gz HQIAIUJLYPUTKI-OPRDCNLKSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+](CCCCO)C1 87041455 573749213 /nfs/dbraw/zinc/74/92/13/573749213.db2.gz YBCKWMCFENICIR-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@H](O)C[NH3+] 84046110 573749217 /nfs/dbraw/zinc/74/92/17/573749217.db2.gz HQIAIUJLYPUTKI-KXUCPTDWSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])CN(Cc2cnc[nH]2)C1 87041458 573749260 /nfs/dbraw/zinc/74/92/60/573749260.db2.gz AVSAAIIWQIVWID-BDAKNGLRSA-N 2 1 194.282 0.579 10 0 ACAEMP C[C@H]1CC[C@H](C)[N@@H+](C[C@H](O)C[NH3+])C1 84046114 573749526 /nfs/dbraw/zinc/74/95/26/573749526.db2.gz HQIAIUJLYPUTKI-LPEHRKFASA-N 2 1 186.299 0.426 10 0 ACAEMP CC[N@H+]1CCC[C@@H]1CNCC(C)(C)[NH3+] 308706557 573749603 /nfs/dbraw/zinc/74/96/03/573749603.db2.gz WYOOFUOIQLGMQI-SNVBAGLBSA-N 2 1 199.342 0.798 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+](C[C@@H]2CCCO2)C1 87041858 573749687 /nfs/dbraw/zinc/74/96/87/573749687.db2.gz MCKRLROGGIXYBO-VWYCJHECSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](C[C@@H]2CCCO2)C1 87041858 573749688 /nfs/dbraw/zinc/74/96/88/573749688.db2.gz MCKRLROGGIXYBO-VWYCJHECSA-N 2 1 198.310 0.835 10 0 ACAEMP COC[C@H](C)[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87039504 573749733 /nfs/dbraw/zinc/74/97/33/573749733.db2.gz FIXQSXSFDHQIBT-GUBZILKMSA-N 2 1 186.299 0.690 10 0 ACAEMP COC[C@H](C)[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87039504 573749738 /nfs/dbraw/zinc/74/97/38/573749738.db2.gz FIXQSXSFDHQIBT-GUBZILKMSA-N 2 1 186.299 0.690 10 0 ACAEMP COC[C@H](C)[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 87039506 573749772 /nfs/dbraw/zinc/74/97/72/573749772.db2.gz FIXQSXSFDHQIBT-KXUCPTDWSA-N 2 1 186.299 0.690 10 0 ACAEMP COC[C@H](C)[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 87039506 573749779 /nfs/dbraw/zinc/74/97/79/573749779.db2.gz FIXQSXSFDHQIBT-KXUCPTDWSA-N 2 1 186.299 0.690 10 0 ACAEMP CC[C@@H](C[NH3+])CN[C@@H]1CCC[N@H+](C)C1 258919952 573752699 /nfs/dbraw/zinc/75/26/99/573752699.db2.gz GSFCFAYQGUGLOD-WDEREUQCSA-N 2 1 199.342 0.655 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]([C@@H]2CCCOC2)C1 87039652 573751880 /nfs/dbraw/zinc/75/18/80/573751880.db2.gz IETUFVGYIJEUTK-GMTAPVOTSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]([C@@H]2CCCOC2)C1 87039652 573751886 /nfs/dbraw/zinc/75/18/86/573751886.db2.gz IETUFVGYIJEUTK-GMTAPVOTSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](C[C@@H]2CCCO2)C1 87041861 573751953 /nfs/dbraw/zinc/75/19/53/573751953.db2.gz MCKRLROGGIXYBO-MXWKQRLJSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](C[C@@H]2CCCO2)C1 87041861 573751958 /nfs/dbraw/zinc/75/19/58/573751958.db2.gz MCKRLROGGIXYBO-MXWKQRLJSA-N 2 1 198.310 0.835 10 0 ACAEMP COC[C@H](C)[N@@H+]1C[C@@H](C)C[C@@H]([NH3+])C1 87039508 573751970 /nfs/dbraw/zinc/75/19/70/573751970.db2.gz FIXQSXSFDHQIBT-LPEHRKFASA-N 2 1 186.299 0.690 10 0 ACAEMP COC[C@H](C)[N@H+]1C[C@@H](C)C[C@@H]([NH3+])C1 87039508 573751975 /nfs/dbraw/zinc/75/19/75/573751975.db2.gz FIXQSXSFDHQIBT-LPEHRKFASA-N 2 1 186.299 0.690 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)NC[C@H]1CCCC[N@H+]1C 308704217 573753191 /nfs/dbraw/zinc/75/31/91/573753191.db2.gz WDOKBXREPBKRGT-GARJFASQSA-N 2 1 199.342 0.796 10 0 ACAEMP C[C@@H]1C[C@@](C[NH3+])([NH2+]CC2CC2)CN1C 127057883 573752013 /nfs/dbraw/zinc/75/20/13/573752013.db2.gz KATBVSRJJVVEPI-KOLCDFICSA-N 2 1 197.326 0.408 10 0 ACAEMP C[NH2+]C[C@@H](C)[NH2+]CCCn1cccn1 308707624 573752031 /nfs/dbraw/zinc/75/20/31/573752031.db2.gz XJUFTMQSBCSNQW-SNVBAGLBSA-N 2 1 196.298 0.471 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@H]1CCCCN1C 308704217 573753198 /nfs/dbraw/zinc/75/31/98/573753198.db2.gz WDOKBXREPBKRGT-GARJFASQSA-N 2 1 199.342 0.796 10 0 ACAEMP CC[C@H](C[NH3+])CN[C@H]1CCC[N@H+](C)C1 258919944 573752046 /nfs/dbraw/zinc/75/20/46/573752046.db2.gz GSFCFAYQGUGLOD-MNOVXSKESA-N 2 1 199.342 0.655 10 0 ACAEMP CC[C@H](C[NH3+])CN[C@H]1CCC[N@@H+](C)C1 258919944 573752050 /nfs/dbraw/zinc/75/20/50/573752050.db2.gz GSFCFAYQGUGLOD-MNOVXSKESA-N 2 1 199.342 0.655 10 0 ACAEMP CC(C)[C@@](C)(O)C[N@@H+](C)C[C@@H](C)[NH3+] 393589330 573752060 /nfs/dbraw/zinc/75/20/60/573752060.db2.gz JTCLVJLXCYZDLB-ZJUUUORDSA-N 2 1 188.315 0.672 10 0 ACAEMP C[C@H]1C[C@H]([NH3+])C[N@H+](C[C@@H](C)O)C1 87042377 573752173 /nfs/dbraw/zinc/75/21/73/573752173.db2.gz XYTNXGHAWKZPPE-YIZRAAEISA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](CCCO)C1 87041617 573752221 /nfs/dbraw/zinc/75/22/21/573752221.db2.gz RWZOHMOFNZYUIW-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP [NH3+]CC[NH2+][C@H]1CCC[C@H]1n1ccnc1 308703765 573752316 /nfs/dbraw/zinc/75/23/16/573752316.db2.gz VXFQNKYDVNIZGG-VHSXEESVSA-N 2 1 194.282 0.525 10 0 ACAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])C[C@H](C)N(C)C1 127054216 573752391 /nfs/dbraw/zinc/75/23/91/573752391.db2.gz MBECEXORWSOCPL-DCAQKATOSA-N 2 1 199.342 0.796 10 0 ACAEMP [NH3+]CC[NH2+][C@@H]1CCC[C@H]1n1ccnc1 308703758 573752420 /nfs/dbraw/zinc/75/24/20/573752420.db2.gz VXFQNKYDVNIZGG-NXEZZACHSA-N 2 1 194.282 0.525 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])CN(Cc2cnc[nH]2)C1 87041461 573752434 /nfs/dbraw/zinc/75/24/34/573752434.db2.gz AVSAAIIWQIVWID-RKDXNWHRSA-N 2 1 194.282 0.579 10 0 ACAEMP CC(C)[C@](C)(O)C[N@@H+](C)C[C@@H](C)[NH3+] 393589327 573752671 /nfs/dbraw/zinc/75/26/71/573752671.db2.gz JTCLVJLXCYZDLB-NXEZZACHSA-N 2 1 188.315 0.672 10 0 ACAEMP CC[C@@H](C[NH3+])CN[C@@H]1CCC[N@@H+](C)C1 258919952 573752708 /nfs/dbraw/zinc/75/27/08/573752708.db2.gz GSFCFAYQGUGLOD-WDEREUQCSA-N 2 1 199.342 0.655 10 0 ACAEMP [NH3+]CC[NH2+][C@@H]1CCC[C@@H]1n1ccnc1 308703768 573752731 /nfs/dbraw/zinc/75/27/31/573752731.db2.gz VXFQNKYDVNIZGG-ZJUUUORDSA-N 2 1 194.282 0.525 10 0 ACAEMP C[NH2+]C1CCC([N@H+]2CC[C@@H](O)C2)CC1 108309968 573752853 /nfs/dbraw/zinc/75/28/53/573752853.db2.gz WSGHROWMMKVHRX-VQXHTEKXSA-N 2 1 198.310 0.584 10 0 ACAEMP CC(=O)CCC[NH2+]C[C@H]1CC[N@@H+](C)C1 258907140 573752894 /nfs/dbraw/zinc/75/28/94/573752894.db2.gz LOJZTEIDMRJUPD-LLVKDONJSA-N 2 1 198.310 0.897 10 0 ACAEMP CC(=O)CCC[NH2+]C[C@H]1CC[N@H+](C)C1 258907140 573752899 /nfs/dbraw/zinc/75/28/99/573752899.db2.gz LOJZTEIDMRJUPD-LLVKDONJSA-N 2 1 198.310 0.897 10 0 ACAEMP Cc1nc(CC[NH2+][C@H](C)[C@@H](C)[NH3+])no1 308706076 573752916 /nfs/dbraw/zinc/75/29/16/573752916.db2.gz WVDLQRZWEUGGOF-RNFRBKRXSA-N 2 1 198.270 0.246 10 0 ACAEMP COCC[N@H+]1CC[C@H](C[NH3+])C1(C)C 259175868 573752959 /nfs/dbraw/zinc/75/29/59/573752959.db2.gz AVAYGYYFMDMXLK-SECBINFHSA-N 2 1 186.299 0.692 10 0 ACAEMP CC[C@@H](C[NH3+])CN[C@H]1CCC[N@H+](C)C1 258919947 573753027 /nfs/dbraw/zinc/75/30/27/573753027.db2.gz GSFCFAYQGUGLOD-QWRGUYRKSA-N 2 1 199.342 0.655 10 0 ACAEMP C[NH2+]C[C@H](C)[NH2+]CCCn1cccn1 308707623 573753028 /nfs/dbraw/zinc/75/30/28/573753028.db2.gz XJUFTMQSBCSNQW-JTQLQIEISA-N 2 1 196.298 0.471 10 0 ACAEMP CC[C@@H](C[NH3+])CN[C@H]1CCC[N@@H+](C)C1 258919947 573753035 /nfs/dbraw/zinc/75/30/35/573753035.db2.gz GSFCFAYQGUGLOD-QWRGUYRKSA-N 2 1 199.342 0.655 10 0 ACAEMP C[NH2+]CCCC[NH2+]C[C@H]1CC[N@@H+](C)C1 258904189 573753075 /nfs/dbraw/zinc/75/30/75/573753075.db2.gz MPPXKNMFLGBNNA-LLVKDONJSA-N 3 1 199.342 0.527 10 0 ACAEMP C[NH2+]CCCC[NH2+]C[C@H]1CCN(C)C1 258904189 573753079 /nfs/dbraw/zinc/75/30/79/573753079.db2.gz MPPXKNMFLGBNNA-LLVKDONJSA-N 2 1 199.342 0.527 10 0 ACAEMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCC1 258918031 573758324 /nfs/dbraw/zinc/75/83/24/573758324.db2.gz MXIVEIZRVPBGAS-JTQLQIEISA-N 2 1 183.299 0.032 10 0 ACAEMP C[N@H+]1CC[C@@H](C(=O)C[C@H]2CCC[NH2+]2)C1 259182824 573758771 /nfs/dbraw/zinc/75/87/71/573758771.db2.gz NIGXPVRDYWYGOQ-NXEZZACHSA-N 2 1 196.294 0.649 10 0 ACAEMP [NH3+][C@H](c1cccnc1)[C@H]1CC[NH2+]C1 259182651 573757665 /nfs/dbraw/zinc/75/76/65/573757665.db2.gz FHOMNEGGYAUROF-VHSXEESVSA-N 2 1 177.251 0.691 10 0 ACAEMP C[C@H]1C[C@@](C[NH3+])([NH2+]CC2CC2)CN1C 127058110 573757720 /nfs/dbraw/zinc/75/77/20/573757720.db2.gz KATBVSRJJVVEPI-ONGXEEELSA-N 2 1 197.326 0.408 10 0 ACAEMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CCC[NH+](C)C 308708227 573757737 /nfs/dbraw/zinc/75/77/37/573757737.db2.gz XNIPMSQQYKTCCB-GHMZBOCLSA-N 3 1 199.342 0.526 10 0 ACAEMP CN(C[C@H](N)C[NH3+])c1ccccc1 258914650 573757776 /nfs/dbraw/zinc/75/77/76/573757776.db2.gz HWVNDLVYSIPLFW-SECBINFHSA-N 2 1 179.267 0.409 10 0 ACAEMP CC[N@@H+](C)CCCCN1CC[NH2+]CC1 258913173 573757829 /nfs/dbraw/zinc/75/78/29/573757829.db2.gz MJNOCUFPSBBWJO-UHFFFAOYSA-N 2 1 199.342 0.624 10 0 ACAEMP CC[N@H+](C)CCCC[NH+]1CCNCC1 258913173 573757833 /nfs/dbraw/zinc/75/78/33/573757833.db2.gz MJNOCUFPSBBWJO-UHFFFAOYSA-N 2 1 199.342 0.624 10 0 ACAEMP CC[N@@H+](C)CCCC[NH+]1CCNCC1 258913173 573757834 /nfs/dbraw/zinc/75/78/34/573757834.db2.gz MJNOCUFPSBBWJO-UHFFFAOYSA-N 2 1 199.342 0.624 10 0 ACAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN(C)C 126968879 573757907 /nfs/dbraw/zinc/75/79/07/573757907.db2.gz JEBMIOKGPREDIG-ZJUUUORDSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCN(C)C 126968879 573757913 /nfs/dbraw/zinc/75/79/13/573757913.db2.gz JEBMIOKGPREDIG-ZJUUUORDSA-N 2 1 185.315 0.217 10 0 ACAEMP CC[C@H]1C[C@H]([NH3+])C[N@@H+]1C1CC1 108331455 573757927 /nfs/dbraw/zinc/75/79/27/573757927.db2.gz YDEKIWLDIQXGNA-YUMQZZPRSA-N 2 1 154.257 0.960 10 0 ACAEMP CC[C@H]1C[C@H]([NH3+])C[N@H+]1C1CC1 108331455 573757936 /nfs/dbraw/zinc/75/79/36/573757936.db2.gz YDEKIWLDIQXGNA-YUMQZZPRSA-N 2 1 154.257 0.960 10 0 ACAEMP CCC[N@@H+](C)CC[C@H]1C[NH+](C)CCN1 258913498 573758119 /nfs/dbraw/zinc/75/81/19/573758119.db2.gz MMVWAFCQGOXTIS-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP CCC[NH+](C)CC[C@H]1C[N@H+](C)CCN1 258913498 573758125 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186.299 0.835 10 0 ACAEMP COC[C@](C)(C[NH3+])[N@@H+](C)C1CCC1 127226103 573797438 /nfs/dbraw/zinc/79/74/38/573797438.db2.gz MCKKRYBXDNUKBL-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@@H]([C@@H](C)O)[N@@H+](C)C1CC[NH2+]CC1 87140360 573797840 /nfs/dbraw/zinc/79/78/40/573797840.db2.gz SNJBSSOUGCNAOF-DTWKUNHWSA-N 2 1 186.299 0.440 10 0 ACAEMP COC[C@@](C)(CN)[N@@H+](C)C1CCC1 127225881 573797868 /nfs/dbraw/zinc/79/78/68/573797868.db2.gz MCKKRYBXDNUKBL-SNVBAGLBSA-N 2 1 186.299 0.835 10 0 ACAEMP COC[C@@](C)(C[NH3+])[N@H+](C)C1CCC1 127225881 573797874 /nfs/dbraw/zinc/79/78/74/573797874.db2.gz MCKKRYBXDNUKBL-SNVBAGLBSA-N 2 1 186.299 0.835 10 0 ACAEMP COC[C@@](C)(C[NH3+])[N@@H+](C)C1CCC1 127225881 573797876 /nfs/dbraw/zinc/79/78/76/573797876.db2.gz MCKKRYBXDNUKBL-SNVBAGLBSA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)Cc1[nH+]ccn1C 87147075 573797979 /nfs/dbraw/zinc/79/79/79/573797979.db2.gz LEJHYTXBURELBX-SFYZADRCSA-N 2 1 167.256 0.946 10 0 ACAEMP 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CCC[N@@H+](CCO)[C@H](C)C[NH3+] 43513672 573829241 /nfs/dbraw/zinc/82/92/41/573829241.db2.gz BPZSIRAVFQNHHP-MRVPVSSYSA-N 2 1 160.261 0.038 10 0 ACAEMP C[NH+](C)[C@H](CCO)[C@@H]1CC[N@@H+](C)C1 259573340 573832814 /nfs/dbraw/zinc/83/28/14/573832814.db2.gz PHSLTJBEGPBSJH-NXEZZACHSA-N 2 1 186.299 0.251 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H](O)C[NH2+]C2CCC2)C1 258144650 573833004 /nfs/dbraw/zinc/83/30/04/573833004.db2.gz MPFJNIQFLRTNLV-GXSJLCMTSA-N 2 1 198.310 0.441 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H](N)C2(C[NH3+])CCC2)C1 259207381 573833790 /nfs/dbraw/zinc/83/37/90/573833790.db2.gz DSYAOVIJOHXFBT-VHSXEESVSA-N 3 1 197.326 0.394 10 0 ACAEMP C[N@@H+]1CC[C@H]([C@@H]([NH3+])C2(C[NH3+])CCC2)C1 259207381 573833796 /nfs/dbraw/zinc/83/37/96/573833796.db2.gz DSYAOVIJOHXFBT-VHSXEESVSA-N 3 1 197.326 0.394 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])C2(C[NH3+])CCC2)C1 259207381 573833802 /nfs/dbraw/zinc/83/38/02/573833802.db2.gz DSYAOVIJOHXFBT-VHSXEESVSA-N 3 1 197.326 0.394 10 0 ACAEMP 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ACAEMP CC[C@H](C[C@@H]1C[N@@H+](C)CCN1)[NH+](C)C 259573590 573837048 /nfs/dbraw/zinc/83/70/48/573837048.db2.gz PKHXWTWMSZLMDJ-GHMZBOCLSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[C@@H](C[C@@H]1C[N@@H+](C)CCN1)[NH+](C)C 259573593 573837242 /nfs/dbraw/zinc/83/72/42/573837242.db2.gz PKHXWTWMSZLMDJ-MNOVXSKESA-N 2 1 199.342 0.620 10 0 ACAEMP CC[C@@H](C[C@H]1C[N@@H+](C)CCN1)[NH+](C)C 259573595 573837279 /nfs/dbraw/zinc/83/72/79/573837279.db2.gz PKHXWTWMSZLMDJ-QWRGUYRKSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[C@H](C[NH3+])[N@@H+]1CCC[C@@H]1CO 43539985 573838119 /nfs/dbraw/zinc/83/81/19/573838119.db2.gz ALZYHZHJBKXAPD-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@H](C[NH3+])[N@H+]1CCC[C@@H]1CO 43539985 573838122 /nfs/dbraw/zinc/83/81/22/573838122.db2.gz ALZYHZHJBKXAPD-RKDXNWHRSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@@H](C[NH3+])[N@H+](CCO)C(C)C 43540462 573839374 /nfs/dbraw/zinc/83/93/74/573839374.db2.gz BLYDNACNNSGMKI-VIFPVBQESA-N 2 1 174.288 0.426 10 0 ACAEMP CC[C@@H](C[NH3+])[N@@H+](CCO)C(C)C 43540462 573839379 /nfs/dbraw/zinc/83/93/79/573839379.db2.gz BLYDNACNNSGMKI-VIFPVBQESA-N 2 1 174.288 0.426 10 0 ACAEMP CC[C@H](C[NH3+])[N@H+](CCO)C1CC1 43540471 573839791 /nfs/dbraw/zinc/83/97/91/573839791.db2.gz FXOSZQHPCMLINU-MRVPVSSYSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@H](C[NH3+])[N@@H+](CCO)C1CC1 43540471 573839799 /nfs/dbraw/zinc/83/97/99/573839799.db2.gz FXOSZQHPCMLINU-MRVPVSSYSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@]1([NH2+]CCc2cn[nH]c2)CC[NH2+]C1 308449606 573840899 /nfs/dbraw/zinc/84/08/99/573840899.db2.gz AUUQBDOCZBQDRL-SNVBAGLBSA-N 2 1 194.282 0.294 10 0 ACAEMP CC[C@H](C[NH3+])[N@H+](CC)CCO 43539905 573841106 /nfs/dbraw/zinc/84/11/06/573841106.db2.gz MVOYKYPYAQZNLQ-MRVPVSSYSA-N 2 1 160.261 0.038 10 0 ACAEMP CC[C@H](C[NH3+])[N@@H+](CC)CCO 43539905 573841113 /nfs/dbraw/zinc/84/11/13/573841113.db2.gz MVOYKYPYAQZNLQ-MRVPVSSYSA-N 2 1 160.261 0.038 10 0 ACAEMP C[N@@H+](CCCF)CC[C@](C)(O)C[NH3+] 716809343 573841303 /nfs/dbraw/zinc/84/13/03/573841303.db2.gz PDVHKHWAVPMBQA-VIFPVBQESA-N 2 1 192.278 0.378 10 0 ACAEMP CC[C@@H](C[NH3+])[N@@H+]1CCC[C@@H]1CO 43539984 573841328 /nfs/dbraw/zinc/84/13/28/573841328.db2.gz ALZYHZHJBKXAPD-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP CC[C@@H](C[NH3+])[N@H+]1CCC[C@@H]1CO 43539984 573841332 /nfs/dbraw/zinc/84/13/32/573841332.db2.gz ALZYHZHJBKXAPD-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@]1([NH2+]CCc2cn[nH]c2)CC[NH2+]C1 308449605 573842520 /nfs/dbraw/zinc/84/25/20/573842520.db2.gz AUUQBDOCZBQDRL-JTQLQIEISA-N 2 1 194.282 0.294 10 0 ACAEMP CC[C@H](C[NH3+])[N@H+](CCO)C(C)C 43540463 573842819 /nfs/dbraw/zinc/84/28/19/573842819.db2.gz BLYDNACNNSGMKI-SECBINFHSA-N 2 1 174.288 0.426 10 0 ACAEMP CC[C@H](C[NH3+])[N@@H+](CCO)C(C)C 43540463 573842822 /nfs/dbraw/zinc/84/28/22/573842822.db2.gz BLYDNACNNSGMKI-SECBINFHSA-N 2 1 174.288 0.426 10 0 ACAEMP C[NH2+]CC(C)(C)N[C@@H]1CCC[N@@H+](C)C1 258966941 573842938 /nfs/dbraw/zinc/84/29/38/573842938.db2.gz YKKZZNTXJGQXMX-SNVBAGLBSA-N 2 1 199.342 0.668 10 0 ACAEMP CN(C)CC1=CC[N@H+](C)C1 258150424 573843043 /nfs/dbraw/zinc/84/30/43/573843043.db2.gz QZYLQFWOKDEUBH-UHFFFAOYSA-N 2 1 140.230 0.420 10 0 ACAEMP CN(C)CC1=CC[N@@H+](C)C1 258150424 573843047 /nfs/dbraw/zinc/84/30/47/573843047.db2.gz QZYLQFWOKDEUBH-UHFFFAOYSA-N 2 1 140.230 0.420 10 0 ACAEMP C[N@H+]1CCC[C@@H](c2c[nH]c(N)[nH+]2)C1 259211530 573843431 /nfs/dbraw/zinc/84/34/31/573843431.db2.gz YKHJGYBUJAKVQQ-SSDOTTSWSA-N 2 1 180.255 0.801 10 0 ACAEMP C[NH2+]Cc1cnc([C@@H]2CC[N@@H+](C)C2)o1 257886051 573843777 /nfs/dbraw/zinc/84/37/77/573843777.db2.gz AQRVGANTLSXFNO-MRVPVSSYSA-N 2 1 195.266 0.813 10 0 ACAEMP CN[C@H](C(C)=O)[C@@H]1CCC[N@H+](C)C1 259209950 573845026 /nfs/dbraw/zinc/84/50/26/573845026.db2.gz FTVZOTWXAMJECV-NXEZZACHSA-N 2 1 184.283 0.505 10 0 ACAEMP CN[C@H](C(C)=O)[C@@H]1CCC[N@@H+](C)C1 259209950 573845030 /nfs/dbraw/zinc/84/50/30/573845030.db2.gz FTVZOTWXAMJECV-NXEZZACHSA-N 2 1 184.283 0.505 10 0 ACAEMP CC[N@H+]1CCC[C@H]1N1CC[NH2+]CC1 258160318 573845062 /nfs/dbraw/zinc/84/50/62/573845062.db2.gz NQADFPAXRSTANZ-SNVBAGLBSA-N 2 1 183.299 0.333 10 0 ACAEMP CC[NH2+]C[C@H]([C@H]1CC[N@@H+](C)C1)N(C)C 259209467 573845133 /nfs/dbraw/zinc/84/51/33/573845133.db2.gz ACUJEOOKDSJXBU-WDEREUQCSA-N 2 1 199.342 0.478 10 0 ACAEMP CC[N@H+]1CCC[C@](C[NH2+]C)(OC)C1 257888147 573845262 /nfs/dbraw/zinc/84/52/62/573845262.db2.gz MYHDHUOZQPZAGU-SNVBAGLBSA-N 2 1 186.299 0.707 10 0 ACAEMP CC1(C)CC[N@@H+]([C@@]2(CN)CCOC2)C1 87251412 573845417 /nfs/dbraw/zinc/84/54/17/573845417.db2.gz VCTHEELDCSTFTA-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP CC1(C)CC[N@H+]([C@@]2(CN)CCOC2)C1 87251412 573845423 /nfs/dbraw/zinc/84/54/23/573845423.db2.gz VCTHEELDCSTFTA-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP CC1(C)CC[N@@H+]([C@@]2(C[NH3+])CCOC2)C1 87251412 573845430 /nfs/dbraw/zinc/84/54/30/573845430.db2.gz VCTHEELDCSTFTA-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP CC1(C)CC[N@H+]([C@@]2(C[NH3+])CCOC2)C1 87251412 573845438 /nfs/dbraw/zinc/84/54/38/573845438.db2.gz VCTHEELDCSTFTA-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP C[C@]1(F)CC[N@H+](CCC[NH3+])C1 258159620 573848627 /nfs/dbraw/zinc/84/86/27/573848627.db2.gz SPYPAAYNUOAXBX-QMMMGPOBSA-N 2 1 160.236 0.769 10 0 ACAEMP C[C@]1(F)CC[N@@H+](CCC[NH3+])C1 258159620 573848631 /nfs/dbraw/zinc/84/86/31/573848631.db2.gz SPYPAAYNUOAXBX-QMMMGPOBSA-N 2 1 160.236 0.769 10 0 ACAEMP C[NH2+]CC[N@@H+]1CCC(C)(C)C1 87251989 573848900 /nfs/dbraw/zinc/84/89/00/573848900.db2.gz SQBRGJXFDTUXIJ-UHFFFAOYSA-N 2 1 156.273 0.938 10 0 ACAEMP CC[N@H+]1CCC[C@@H]1N1CC[NH2+]CC1 258160315 573847958 /nfs/dbraw/zinc/84/79/58/573847958.db2.gz NQADFPAXRSTANZ-JTQLQIEISA-N 2 1 183.299 0.333 10 0 ACAEMP CC[N@@H+]1CC[C@@H](c2nc(C[NH3+])no2)C1 257888376 573848177 /nfs/dbraw/zinc/84/81/77/573848177.db2.gz CEOUTTXQZRMJDG-SSDOTTSWSA-N 2 1 196.254 0.338 10 0 ACAEMP CC[N@H+]1CC[C@@H](c2nc(C[NH3+])no2)C1 257888376 573848183 /nfs/dbraw/zinc/84/81/83/573848183.db2.gz CEOUTTXQZRMJDG-SSDOTTSWSA-N 2 1 196.254 0.338 10 0 ACAEMP C[C@@]1(C[NH2+]CC[NH3+])CCCO1 87251852 573848414 /nfs/dbraw/zinc/84/84/14/573848414.db2.gz SHTYPMLBDWKODC-QMMMGPOBSA-N 2 1 158.245 0.104 10 0 ACAEMP CC[N@H+]1CCC[C@@](C[NH3+])(OC)CC1 257888281 573848417 /nfs/dbraw/zinc/84/84/17/573848417.db2.gz NBWVXJJAPRGWMC-SNVBAGLBSA-N 2 1 186.299 0.836 10 0 ACAEMP C[NH2+]CC[N@H+]1CCC(C)(C)C1 87251989 573848906 /nfs/dbraw/zinc/84/89/06/573848906.db2.gz SQBRGJXFDTUXIJ-UHFFFAOYSA-N 2 1 156.273 0.938 10 0 ACAEMP C[C@]1(C[NH2+]CC[NH3+])CCCO1 87251849 573848716 /nfs/dbraw/zinc/84/87/16/573848716.db2.gz SHTYPMLBDWKODC-MRVPVSSYSA-N 2 1 158.245 0.104 10 0 ACAEMP C[N@H+]1CC[C@@H](C(C)(C)C[NH2+]CO)C1 258972363 573848720 /nfs/dbraw/zinc/84/87/20/573848720.db2.gz VIMWUCSVPOIRNJ-SECBINFHSA-N 2 1 186.299 0.504 10 0 ACAEMP C[C@@H](N)[C@H](CO)[N@H+]1CCC(C)(C)C1 87251999 573849889 /nfs/dbraw/zinc/84/98/89/573849889.db2.gz WJQSCFJQIXHSJT-BDAKNGLRSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@@H]([NH3+])[C@H](CO)N1CCC(C)(C)C1 87251999 573849895 /nfs/dbraw/zinc/84/98/95/573849895.db2.gz WJQSCFJQIXHSJT-BDAKNGLRSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@@H]([NH3+])[C@H](CO)[N@@H+]1CCC(C)(C)C1 87251999 573849900 /nfs/dbraw/zinc/84/99/00/573849900.db2.gz WJQSCFJQIXHSJT-BDAKNGLRSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@@H]([NH3+])[C@H](CO)[N@H+]1CCC(C)(C)C1 87251999 573849906 /nfs/dbraw/zinc/84/99/06/573849906.db2.gz WJQSCFJQIXHSJT-BDAKNGLRSA-N 2 1 186.299 0.426 10 0 ACAEMP CC(C)C[N@H+]1CCC[C@](O)(C[NH3+])C1 238150775 573850024 /nfs/dbraw/zinc/85/00/24/573850024.db2.gz DJNFGCGQWHWKPP-JTQLQIEISA-N 2 1 186.299 0.428 10 0 ACAEMP CC(C)[C@@H](CO)[N@@H+]1CC[C@@H]([NH3+])C1 238151955 573850515 /nfs/dbraw/zinc/85/05/15/573850515.db2.gz IRFSKIIQFLYGLZ-RKDXNWHRSA-N 2 1 172.272 0.036 10 0 ACAEMP CC(C)[C@@H](CO)[N@H+]1CC[C@@H]([NH3+])C1 238151955 573850520 /nfs/dbraw/zinc/85/05/20/573850520.db2.gz IRFSKIIQFLYGLZ-RKDXNWHRSA-N 2 1 172.272 0.036 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H](F)CC[NH3+])C1 258437055 573850538 /nfs/dbraw/zinc/85/05/38/573850538.db2.gz DQTOSCBPSKBPMG-JGVFFNPUSA-N 2 1 160.236 0.625 10 0 ACAEMP CC(C)C[N@H+]1CCC[C@@](O)(C[NH3+])C1 238150583 573851621 /nfs/dbraw/zinc/85/16/21/573851621.db2.gz DJNFGCGQWHWKPP-SNVBAGLBSA-N 2 1 186.299 0.428 10 0 ACAEMP CCC[C@@]1([NH3+])CC[N@H+](C)C1 84327717 573851690 /nfs/dbraw/zinc/85/16/90/573851690.db2.gz UTFUMVZFRDWXSQ-MRVPVSSYSA-N 2 1 142.246 0.820 10 0 ACAEMP CCC[C@@]1([NH3+])CC[N@@H+](C)C1 84327717 573851696 /nfs/dbraw/zinc/85/16/96/573851696.db2.gz UTFUMVZFRDWXSQ-MRVPVSSYSA-N 2 1 142.246 0.820 10 0 ACAEMP CC(C)[C@@H](CO)[N@H+]1CCC[C@@H]([NH3+])C1 238151910 573851843 /nfs/dbraw/zinc/85/18/43/573851843.db2.gz BEXJQBMZWXRYBJ-NXEZZACHSA-N 2 1 186.299 0.426 10 0 ACAEMP C[NH2+][C@@H](C)[C@H]1CCC[N@@H+]1C 84327727 573851881 /nfs/dbraw/zinc/85/18/81/573851881.db2.gz KPMCERYFBNJWAC-JGVFFNPUSA-N 2 1 142.246 0.689 10 0 ACAEMP C[NH2+][C@@H](C)[C@H]1CCC[N@H+]1C 84327727 573851886 /nfs/dbraw/zinc/85/18/86/573851886.db2.gz KPMCERYFBNJWAC-JGVFFNPUSA-N 2 1 142.246 0.689 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@H](F)CC[NH3+])C1 258437053 573851972 /nfs/dbraw/zinc/85/19/72/573851972.db2.gz DQTOSCBPSKBPMG-HTQZYQBOSA-N 2 1 160.236 0.625 10 0 ACAEMP C[N@H+]1CCC[C@H](c2cc(C[NH3+])no2)C1 259212305 573852196 /nfs/dbraw/zinc/85/21/96/573852196.db2.gz LHXSNZCKQJRMQZ-QMMMGPOBSA-N 2 1 195.266 0.943 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H](F)CC[NH3+])C1 258437059 573852581 /nfs/dbraw/zinc/85/25/81/573852581.db2.gz DQTOSCBPSKBPMG-YUMQZZPRSA-N 2 1 160.236 0.625 10 0 ACAEMP COC[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](C)C1 393565468 573854510 /nfs/dbraw/zinc/85/45/10/573854510.db2.gz JHZBMJVKTZCLRF-GUBZILKMSA-N 2 1 186.299 0.738 10 0 ACAEMP C[N@@H+]1CCC[C@@H]1c1cc(C[NH3+])[nH]n1 258437238 573853537 /nfs/dbraw/zinc/85/35/37/573853537.db2.gz GHJVKWZPWLRFFM-SECBINFHSA-N 2 1 180.255 0.635 10 0 ACAEMP C[N@H+]1CCC[C@@H]1c1cc(C[NH3+])[nH]n1 258437238 573853540 /nfs/dbraw/zinc/85/35/40/573853540.db2.gz GHJVKWZPWLRFFM-SECBINFHSA-N 2 1 180.255 0.635 10 0 ACAEMP C[N@H+]1CCC[C@@H](c2cc(C[NH3+])no2)C1 259212300 573853571 /nfs/dbraw/zinc/85/35/71/573853571.db2.gz LHXSNZCKQJRMQZ-MRVPVSSYSA-N 2 1 195.266 0.943 10 0 ACAEMP COC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](C)C1 393565464 573853663 /nfs/dbraw/zinc/85/36/63/573853663.db2.gz JHZBMJVKTZCLRF-AEJSXWLSSA-N 2 1 186.299 0.738 10 0 ACAEMP C[C@H]([NH3+])CCC(=O)[C@@H]1CC[N@@H+](C)C1 259211877 573853814 /nfs/dbraw/zinc/85/38/14/573853814.db2.gz PJZUSPGPDJMENG-DTWKUNHWSA-N 2 1 184.283 0.635 10 0 ACAEMP CC(C)[C@@]1([NH3+])CC[N@H+](C)C1 84327713 573853821 /nfs/dbraw/zinc/85/38/21/573853821.db2.gz CWOABVDHUGONSM-MRVPVSSYSA-N 2 1 142.246 0.675 10 0 ACAEMP CC(C)[C@@]1([NH3+])CC[N@@H+](C)C1 84327713 573853826 /nfs/dbraw/zinc/85/38/26/573853826.db2.gz CWOABVDHUGONSM-MRVPVSSYSA-N 2 1 142.246 0.675 10 0 ACAEMP C[C@@H]([NH3+])CCC(=O)[C@H]1CC[N@@H+](C)C1 259211873 573854070 /nfs/dbraw/zinc/85/40/70/573854070.db2.gz PJZUSPGPDJMENG-BDAKNGLRSA-N 2 1 184.283 0.635 10 0 ACAEMP CC(C)[C@]1([NH3+])CC[N@H+](C)C1 84327712 573854088 /nfs/dbraw/zinc/85/40/88/573854088.db2.gz CWOABVDHUGONSM-QMMMGPOBSA-N 2 1 142.246 0.675 10 0 ACAEMP CC(C)[C@]1([NH3+])CC[N@@H+](C)C1 84327712 573854090 /nfs/dbraw/zinc/85/40/90/573854090.db2.gz CWOABVDHUGONSM-QMMMGPOBSA-N 2 1 142.246 0.675 10 0 ACAEMP C[C@@]1(C[N@@H+]2CCC[C@H]([NH3+])C2)CCCO1 87259636 573854130 /nfs/dbraw/zinc/85/41/30/573854130.db2.gz NGYTUUNHIKUCAX-QWRGUYRKSA-N 2 1 198.310 0.979 10 0 ACAEMP C[C@@]1(C[N@H+]2CCC[C@H]([NH3+])C2)CCCO1 87259636 573854136 /nfs/dbraw/zinc/85/41/36/573854136.db2.gz NGYTUUNHIKUCAX-QWRGUYRKSA-N 2 1 198.310 0.979 10 0 ACAEMP COC[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](C)C1 393565472 573855500 /nfs/dbraw/zinc/85/55/00/573855500.db2.gz JHZBMJVKTZCLRF-UTLUCORTSA-N 2 1 186.299 0.738 10 0 ACAEMP COCCc1[nH+]cc2n1CC[C@@H]([NH3+])C2 258156784 573855751 /nfs/dbraw/zinc/85/57/51/573855751.db2.gz IBILJCOCSMHEON-MRVPVSSYSA-N 2 1 195.266 0.346 10 0 ACAEMP C(\C[NH+]1CCOCC1)=C1\CCC[NH2+]C1 258163686 573855964 /nfs/dbraw/zinc/85/59/64/573855964.db2.gz SXHXGBREXDACNY-QDEBKDIKSA-N 2 1 196.294 0.628 10 0 ACAEMP C[C@]1(C[N@@H+]2CCC[C@H]([NH3+])C2)CCCO1 87259635 573856115 /nfs/dbraw/zinc/85/61/15/573856115.db2.gz NGYTUUNHIKUCAX-WDEREUQCSA-N 2 1 198.310 0.979 10 0 ACAEMP C[C@]1(C[N@H+]2CCC[C@H]([NH3+])C2)CCCO1 87259635 573856121 /nfs/dbraw/zinc/85/61/21/573856121.db2.gz NGYTUUNHIKUCAX-WDEREUQCSA-N 2 1 198.310 0.979 10 0 ACAEMP COC[C@@H](C[NH3+])[N@@H+]1CC2CCC1CC2 308456589 573856138 /nfs/dbraw/zinc/85/61/38/573856138.db2.gz BYHWPEXGZBKZIS-VQXHTEKXSA-N 2 1 198.310 0.835 10 0 ACAEMP COC[C@@H](C[NH3+])[N@H+]1CC2CCC1CC2 308456589 573856145 /nfs/dbraw/zinc/85/61/45/573856145.db2.gz BYHWPEXGZBKZIS-VQXHTEKXSA-N 2 1 198.310 0.835 10 0 ACAEMP CCn1cc[nH+]c1N1CC([NH3+])(CC)C1 84361050 573857913 /nfs/dbraw/zinc/85/79/13/573857913.db2.gz AAPXBNGTZKERAV-UHFFFAOYSA-N 2 1 194.282 0.831 10 0 ACAEMP [NH3+]CCc1noc([C@@H]2CCCC[NH2+]2)n1 257889942 573859498 /nfs/dbraw/zinc/85/94/98/573859498.db2.gz CKQOBYWDORAFFU-ZETCQYMHSA-N 2 1 196.254 0.385 10 0 ACAEMP Cc1oc(CN)nc1[C@@H]1CC[N@H+](C)C1 258163791 573859623 /nfs/dbraw/zinc/85/96/23/573859623.db2.gz SZGVNYJOCDIWOR-MRVPVSSYSA-N 2 1 195.266 0.861 10 0 ACAEMP Cc1oc(C[NH3+])nc1[C@@H]1CC[N@@H+](C)C1 258163791 573859629 /nfs/dbraw/zinc/85/96/29/573859629.db2.gz SZGVNYJOCDIWOR-MRVPVSSYSA-N 2 1 195.266 0.861 10 0 ACAEMP COC[C@H](C[NH3+])[N@@H+]1CC2CCC1CC2 308456588 573859826 /nfs/dbraw/zinc/85/98/26/573859826.db2.gz BYHWPEXGZBKZIS-ILDUYXDCSA-N 2 1 198.310 0.835 10 0 ACAEMP COC[C@H](C[NH3+])[N@H+]1CC2CCC1CC2 308456588 573859828 /nfs/dbraw/zinc/85/98/28/573859828.db2.gz BYHWPEXGZBKZIS-ILDUYXDCSA-N 2 1 198.310 0.835 10 0 ACAEMP CC[C@H]([NH2+]C)[C@@H]1CC[N@@H+](C)C1 84329097 573860258 /nfs/dbraw/zinc/86/02/58/573860258.db2.gz XIVMHCAWCLKNQK-BDAKNGLRSA-N 2 1 156.273 0.936 10 0 ACAEMP CC[C@@H]([NH2+]C)[C@@H]1CC[N@@H+](C)C1 84329099 573860512 /nfs/dbraw/zinc/86/05/12/573860512.db2.gz XIVMHCAWCLKNQK-RKDXNWHRSA-N 2 1 156.273 0.936 10 0 ACAEMP CCO[C@@]1(C[NH2+]C)CCC[N@@H+](C)C1 257891182 573860656 /nfs/dbraw/zinc/86/06/56/573860656.db2.gz NLGDHKQONFVURQ-SNVBAGLBSA-N 2 1 186.299 0.707 10 0 ACAEMP C[N@H+]1CCC[C@H](n2cc(C[NH3+])cn2)C1 257890843 573860721 /nfs/dbraw/zinc/86/07/21/573860721.db2.gz XBZZSHMRIIFZRJ-JTQLQIEISA-N 2 1 194.282 0.609 10 0 ACAEMP C[N@@H+]1C[C@H]2CC(O)C[C@@H](C1)C2CC[NH3+] 258163893 573863371 /nfs/dbraw/zinc/86/33/71/573863371.db2.gz TUWUSJWOLHANGA-IXBNRNDTSA-N 2 1 198.310 0.284 10 0 ACAEMP C[N@H+]1CCC[C@@H](n2cc(C[NH3+])cn2)C1 257890846 573863418 /nfs/dbraw/zinc/86/34/18/573863418.db2.gz XBZZSHMRIIFZRJ-SNVBAGLBSA-N 2 1 194.282 0.609 10 0 ACAEMP CCO[C@]1(C[NH2+]C)CCC[N@@H+](C)C1 257891181 573864103 /nfs/dbraw/zinc/86/41/03/573864103.db2.gz NLGDHKQONFVURQ-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP C[C@@H]([NH2+][C@H]1CCCN(C)C1)C1C[NH2+]C1 686239337 573862803 /nfs/dbraw/zinc/86/28/03/573862803.db2.gz VRFGKPKTFXKMRD-KOLCDFICSA-N 2 1 197.326 0.278 10 0 ACAEMP C[NH+]1CCC([C@H]([NH3+])C2(N)CC2)CC1 259214597 573862992 /nfs/dbraw/zinc/86/29/92/573862992.db2.gz DYEMWDLTSGFGHI-VIFPVBQESA-N 2 1 183.299 0.147 10 0 ACAEMP Cn1cc[nH+]c1N1CC([NH3+])(C2CC2)C1 84376048 573863169 /nfs/dbraw/zinc/86/31/69/573863169.db2.gz YQIFHNQKWOKWOI-UHFFFAOYSA-N 2 1 192.266 0.348 10 0 ACAEMP CC[NH2+]CC[C@@H]1C[N@@H+](C)CCN1C 393566478 573863633 /nfs/dbraw/zinc/86/36/33/573863633.db2.gz LTISTYGALJNCFE-SNVBAGLBSA-N 2 1 185.315 0.232 10 0 ACAEMP C[C@@H](NCC[NH+]1CC=CC1)C1C[NH2+]C1 686251163 573864121 /nfs/dbraw/zinc/86/41/21/573864121.db2.gz UQTQBAXFAATWFL-SNVBAGLBSA-N 2 1 195.310 0.056 10 0 ACAEMP [NH3+]CC1CCN(C2CC[NH2+]CC2)CC1 238548214 573863765 /nfs/dbraw/zinc/86/37/65/573863765.db2.gz PJEQDSVHKJTUTM-UHFFFAOYSA-N 2 1 197.326 0.409 10 0 ACAEMP CCN(CC)[C@H](C[NH3+])[C@@H]1CCC[N@H+]1C 214992193 573863942 /nfs/dbraw/zinc/86/39/42/573863942.db2.gz WXIPNGCWIXKUJG-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP CCN(CC)[C@@H](C[NH3+])[C@@H]1CCC[N@H+]1C 214992147 573864062 /nfs/dbraw/zinc/86/40/62/573864062.db2.gz WXIPNGCWIXKUJG-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP F[C@H]1CC[C@@H](C2C[NH2+]C2)[NH2+]C1 238549156 573867496 /nfs/dbraw/zinc/86/74/96/573867496.db2.gz ODKKLZZLWPATGV-YUMQZZPRSA-N 2 1 158.220 0.296 10 0 ACAEMP C[NH2+]C[C@H](C1CC[NH+](C)CC1)[NH+](C)C 258975524 573867411 /nfs/dbraw/zinc/86/74/11/573867411.db2.gz DNPAZZUKIMGJJO-LLVKDONJSA-N 3 1 199.342 0.478 10 0 ACAEMP COC[C@@H](C[NH3+])[NH2+]C[C@H](C)C1CC1 393566588 573867657 /nfs/dbraw/zinc/86/76/57/573867657.db2.gz MRHINFHIXFHOOU-WCBMZHEXSA-N 2 1 186.299 0.596 10 0 ACAEMP COCC[N@@H+](C(C)C)C1CC([NH3+])C1 131506919 573867670 /nfs/dbraw/zinc/86/76/70/573867670.db2.gz KTAHHCKAKYKMSU-UHFFFAOYSA-N 2 1 186.299 0.833 10 0 ACAEMP C[NH2+][C@@H](c1ccc[nH]1)N1CC[NH2+]CC1 259215007 573870843 /nfs/dbraw/zinc/87/08/43/573870843.db2.gz FWROSADJPUPVIR-SNVBAGLBSA-N 2 1 194.282 0.138 10 0 ACAEMP CC[C@H](C[NH3+])CN(C)[C@@H]1CC[N@@H+](C)C1 258974690 573868029 /nfs/dbraw/zinc/86/80/29/573868029.db2.gz LPOQTDUGCZQFJA-GHMZBOCLSA-N 2 1 199.342 0.607 10 0 ACAEMP CC[C@@H](C[NH3+])CN(C)[C@H]1CC[N@@H+](C)C1 258974694 573868239 /nfs/dbraw/zinc/86/82/39/573868239.db2.gz LPOQTDUGCZQFJA-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP Cc1c[nH]c(C2CC([NH3+])C2)[nH+]1 259216453 573868555 /nfs/dbraw/zinc/86/85/55/573868555.db2.gz YWBWCBFOGZJZFC-UHFFFAOYSA-N 2 1 151.213 0.923 10 0 ACAEMP C[NH2+][C@@H](C)CC[N@@H+](C)[C@@H](C)COC 43969139 573868670 /nfs/dbraw/zinc/86/86/70/573868670.db2.gz YIRLQJHBSBQUHG-UWVGGRQHSA-N 2 1 188.315 0.951 10 0 ACAEMP COC[C@H](C[NH3+])[NH2+]C[C@@H](C)C1CC1 393566586 573868863 /nfs/dbraw/zinc/86/88/63/573868863.db2.gz MRHINFHIXFHOOU-SCZZXKLOSA-N 2 1 186.299 0.596 10 0 ACAEMP C1COCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 84385793 573868913 /nfs/dbraw/zinc/86/89/13/573868913.db2.gz ZWZUAVAMBMUVRH-NSHDSACASA-N 2 1 198.310 0.708 10 0 ACAEMP C[N@H+]1CC[C@@H](CC2(C[NH3+])COC2)C1 259575523 573868960 /nfs/dbraw/zinc/86/89/60/573868960.db2.gz YWSBWNAKGKMXTN-VIFPVBQESA-N 2 1 184.283 0.304 10 0 ACAEMP [NH3+]C[C@@H]([NH2+]C1CCC1)C1CC1 258440754 573869060 /nfs/dbraw/zinc/86/90/60/573869060.db2.gz DZCNXWVODIZYCM-SECBINFHSA-N 2 1 154.257 0.866 10 0 ACAEMP C1COCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 84385798 573869262 /nfs/dbraw/zinc/86/92/62/573869262.db2.gz ZWZUAVAMBMUVRH-LLVKDONJSA-N 2 1 198.310 0.708 10 0 ACAEMP C[NH2+][C@H](C)CC[N@@H+](C)[C@@H](C)COC 43969140 573869348 /nfs/dbraw/zinc/86/93/48/573869348.db2.gz YIRLQJHBSBQUHG-ZJUUUORDSA-N 2 1 188.315 0.951 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H](N)C2([NH3+])CC2)C1 259624552 573869446 /nfs/dbraw/zinc/86/94/46/573869446.db2.gz YBNIYHBRSFSMAT-IUCAKERBSA-N 2 1 183.299 0.147 10 0 ACAEMP [NH3+]CCc1c[nH+]cn1CC(F)F 131438454 573869739 /nfs/dbraw/zinc/86/97/39/573869739.db2.gz KLVQXNRWBXZTTJ-UHFFFAOYSA-N 2 1 175.182 0.649 10 0 ACAEMP C[NH2+]C(C)(C)CNC[C@H]1CC[N@@H+](C)C1 258978670 573870121 /nfs/dbraw/zinc/87/01/21/573870121.db2.gz XUSLZTRULKQTJR-SNVBAGLBSA-N 2 1 199.342 0.526 10 0 ACAEMP C[NH2+][C@@H](C)CC[N@H+](C)CCOC 43915611 573870243 /nfs/dbraw/zinc/87/02/43/573870243.db2.gz GLFSZQGXJZZTQI-VIFPVBQESA-N 2 1 174.288 0.563 10 0 ACAEMP C[NH2+][C@@H](C)CC[N@@H+](C)CCOC 43915611 573870248 /nfs/dbraw/zinc/87/02/48/573870248.db2.gz GLFSZQGXJZZTQI-VIFPVBQESA-N 2 1 174.288 0.563 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@@H](N)C2([NH3+])CC2)C1 259624553 573870258 /nfs/dbraw/zinc/87/02/58/573870258.db2.gz YBNIYHBRSFSMAT-RKDXNWHRSA-N 2 1 183.299 0.147 10 0 ACAEMP CN1CC[NH2+][C@@H](C[C@@H]2CC[N@@H+](C)C2)C1 259215142 573870615 /nfs/dbraw/zinc/87/06/15/573870615.db2.gz TUWVLEAPPHHQPB-QWRGUYRKSA-N 2 1 197.326 0.232 10 0 ACAEMP CC[NH2+][C@](C)(C[NH3+])C[C@@H]1CCCO1 689862149 573872099 /nfs/dbraw/zinc/87/20/99/573872099.db2.gz FOOSSPDUACVJDB-UWVGGRQHSA-N 2 1 186.299 0.882 10 0 ACAEMP C[NH2+]CCCN(C)[C@H]1C[C@H](C)[N@@H+](C)C1 127390570 573871883 /nfs/dbraw/zinc/87/18/83/573871883.db2.gz VALAETKWVVIKOJ-QWRGUYRKSA-N 2 1 199.342 0.620 10 0 ACAEMP C[N@H+]1CC[C@@H](CC[NH2+]CCCO)C1 258978361 573872080 /nfs/dbraw/zinc/87/20/80/573872080.db2.gz KXUFCIKBUKUBCG-SNVBAGLBSA-N 2 1 186.299 0.300 10 0 ACAEMP CN1CC[NH2+][C@H](C[C@H]2CC[N@@H+](C)C2)C1 259215140 573873165 /nfs/dbraw/zinc/87/31/65/573873165.db2.gz TUWVLEAPPHHQPB-GHMZBOCLSA-N 2 1 197.326 0.232 10 0 ACAEMP C1C[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@@H]32)CO1 686255793 573873248 /nfs/dbraw/zinc/87/32/48/573873248.db2.gz UGPJCRUNCPVHCN-GUBZILKMSA-N 2 1 182.267 0.069 10 0 ACAEMP C1C[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@@H]32)CO1 686255793 573873254 /nfs/dbraw/zinc/87/32/54/573873254.db2.gz UGPJCRUNCPVHCN-GUBZILKMSA-N 2 1 182.267 0.069 10 0 ACAEMP CC[N@H+]1CCC[C@H](O[C@H]2CC[NH2+]C2)C1 109689258 573873284 /nfs/dbraw/zinc/87/32/84/573873284.db2.gz HGPFABWOKQKAES-QWRGUYRKSA-N 2 1 198.310 0.849 10 0 ACAEMP C[NH2+]CCCN(C)[C@@H]1C[C@H](C)[N@@H+](C)C1 127390994 573873478 /nfs/dbraw/zinc/87/34/78/573873478.db2.gz VALAETKWVVIKOJ-WDEREUQCSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[N@@H+](CCOC)CC[C@@H](C)[NH2+]C 43968577 573873490 /nfs/dbraw/zinc/87/34/90/573873490.db2.gz QFNAWYBLZZAPPU-SNVBAGLBSA-N 2 1 188.315 0.953 10 0 ACAEMP CC[NH2+][C@@](C)(C[NH3+])C[C@H]1CCCO1 689862144 573873523 /nfs/dbraw/zinc/87/35/23/573873523.db2.gz FOOSSPDUACVJDB-NXEZZACHSA-N 2 1 186.299 0.882 10 0 ACAEMP C[NH2+][C@H](C)CCN1CCC[N@@H+](C)CC1 43818257 573873581 /nfs/dbraw/zinc/87/35/81/573873581.db2.gz RKZBMECGZLGESD-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP C[C@H](CCO)[N@H+]1CC[C@H](C[NH3+])C1 215004781 573873624 /nfs/dbraw/zinc/87/36/24/573873624.db2.gz UILJMCYLZPNOTN-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[NH2+][C@](C)(C[NH3+])C[C@H]1CCCO1 689862158 573876494 /nfs/dbraw/zinc/87/64/94/573876494.db2.gz FOOSSPDUACVJDB-ZJUUUORDSA-N 2 1 186.299 0.882 10 0 ACAEMP CN(CC1(C[NH3+])CC1)[C@@H]1CC[N@@H+](C)C1 258980422 573876599 /nfs/dbraw/zinc/87/65/99/573876599.db2.gz UOGJTVHAIVVHJB-SNVBAGLBSA-N 2 1 197.326 0.361 10 0 ACAEMP CC[N@H+]1CCC[C@H](NC2C[NH2+]C2)C1 84418520 573876730 /nfs/dbraw/zinc/87/67/30/573876730.db2.gz TYPDEEBOYTVPMC-VIFPVBQESA-N 2 1 183.299 0.032 10 0 ACAEMP C[N@H+]1CCCC[C@@H]1CNC1C[NH2+]C1 84418619 573876988 /nfs/dbraw/zinc/87/69/88/573876988.db2.gz XOZYKKUBENHJOV-SNVBAGLBSA-N 2 1 183.299 0.032 10 0 ACAEMP C[NH+]1CCC(NC(C)(C)CC[NH3+])CC1 258981702 573878755 /nfs/dbraw/zinc/87/87/55/573878755.db2.gz ZVVABHVJYGTFNH-UHFFFAOYSA-N 2 1 199.342 0.798 10 0 ACAEMP C[N@H+]1CCCC[C@H]1CNC1C[NH2+]C1 84418620 573878860 /nfs/dbraw/zinc/87/88/60/573878860.db2.gz XOZYKKUBENHJOV-JTQLQIEISA-N 2 1 183.299 0.032 10 0 ACAEMP C[N@H+]1[C@@H]2CC[C@H]([NH3+])[C@H]1CC2 101788201 573880268 /nfs/dbraw/zinc/88/02/68/573880268.db2.gz DVWWFIRHFFEWAP-GJMOJQLCSA-N 2 1 140.230 0.570 10 0 ACAEMP C[C@H](C[NH3+])CC[N@@H+](C)[C@H]1CCN(C)C1 258984858 573882086 /nfs/dbraw/zinc/88/20/86/573882086.db2.gz VGGZTJOGIMZDRI-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP CC(C)[N@H+]1CC[C@H](CNC2C[NH2+]C2)C1 84418525 573881297 /nfs/dbraw/zinc/88/12/97/573881297.db2.gz JVICNQFSAFCWHS-SNVBAGLBSA-N 2 1 197.326 0.278 10 0 ACAEMP C1C[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@H]32)CO1 686255885 573881432 /nfs/dbraw/zinc/88/14/32/573881432.db2.gz UGPJCRUNCPVHCN-KXUCPTDWSA-N 2 1 182.267 0.069 10 0 ACAEMP C1C[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@H]32)CO1 686255885 573881438 /nfs/dbraw/zinc/88/14/38/573881438.db2.gz UGPJCRUNCPVHCN-KXUCPTDWSA-N 2 1 182.267 0.069 10 0 ACAEMP COC[N@@H+](C)CC1CC[NH+](C)CC1 259218603 573881581 /nfs/dbraw/zinc/88/15/81/573881581.db2.gz XNOHJTTYIGXDJP-UHFFFAOYSA-N 2 1 186.299 0.864 10 0 ACAEMP C[N@H+]1CCC[C@H](CNCC2([NH3+])CC2)C1 259218821 573882885 /nfs/dbraw/zinc/88/28/85/573882885.db2.gz XROADPPAYWONSA-SNVBAGLBSA-N 2 1 197.326 0.409 10 0 ACAEMP [NH3+]CC[C@@H]1COC[C@@H]2CCCC[N@@H+]21 238553232 573882024 /nfs/dbraw/zinc/88/20/24/573882024.db2.gz XSDWWGWWXOSLJW-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP [NH3+]CC[C@@H]1COC[C@@H]2CCCC[N@H+]21 238553232 573882027 /nfs/dbraw/zinc/88/20/27/573882027.db2.gz XSDWWGWWXOSLJW-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP C[N@H+]1CC[C@@H](C2CC([NH3+])C2)C1 259219226 573882348 /nfs/dbraw/zinc/88/23/48/573882348.db2.gz LWXHEBBGCLOTBS-AFPNSQJFSA-N 2 1 154.257 0.675 10 0 ACAEMP C[NH+](C)C[C@H](N)Cc1ccoc1 131580360 573882687 /nfs/dbraw/zinc/88/26/87/573882687.db2.gz HJWJBJXSPAVXDA-SECBINFHSA-N 2 1 168.240 0.711 10 0 ACAEMP C[NH+](C)C[C@@H](N)Cc1ccoc1 131580561 573882814 /nfs/dbraw/zinc/88/28/14/573882814.db2.gz HJWJBJXSPAVXDA-VIFPVBQESA-N 2 1 168.240 0.711 10 0 ACAEMP CC(C)[C@@H]1[C@H](N)[C@@H](C[NH3+])C[N@H+]1C(C)C 238177471 573883103 /nfs/dbraw/zinc/88/31/03/573883103.db2.gz YCGISEQHLZWXSC-HBNTYKKESA-N 2 1 199.342 0.637 10 0 ACAEMP CC(C)[C@@H]1[C@H]([NH3+])[C@@H](C[NH3+])CN1C(C)C 238177471 573883106 /nfs/dbraw/zinc/88/31/06/573883106.db2.gz YCGISEQHLZWXSC-HBNTYKKESA-N 2 1 199.342 0.637 10 0 ACAEMP C[N@H+]1CC[C@H](C[C@@]2(CO)CCC[NH2+]2)C1 258172489 573885152 /nfs/dbraw/zinc/88/51/52/573885152.db2.gz OIICGNQFQBJUCS-GHMZBOCLSA-N 2 1 198.310 0.443 10 0 ACAEMP C[N@H+]1CC[C@@H]2C[C@@H]([NH3+])CC[C@@H]21 76590269 573884770 /nfs/dbraw/zinc/88/47/70/573884770.db2.gz SWOGASBWQBEYHL-VGMNWLOBSA-N 2 1 154.257 0.818 10 0 ACAEMP C[NH2+][C@H](c1cccnc1)[C@H]1CC[NH2+]C1 259220228 573884818 /nfs/dbraw/zinc/88/48/18/573884818.db2.gz GBWHJMPQZXHKJL-WDEREUQCSA-N 2 1 191.278 0.952 10 0 ACAEMP [NH3+]CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1 238555097 573884855 /nfs/dbraw/zinc/88/48/55/573884855.db2.gz VMDAILBYWLXENM-NXEZZACHSA-N 2 1 183.299 0.162 10 0 ACAEMP C[NH+]1CCC([NH2+]C2CC(O)C2)CC1 84421805 573884930 /nfs/dbraw/zinc/88/49/30/573884930.db2.gz PRQYOEQOAQOBHD-UHFFFAOYSA-N 2 1 184.283 0.194 10 0 ACAEMP C[N@H+]1CC[C@@H]2C[C@H]([NH3+])C[C@@H]2C1 76590369 573884968 /nfs/dbraw/zinc/88/49/68/573884968.db2.gz SWWNWNFBWBXVSL-HLTSFMKQSA-N 2 1 154.257 0.675 10 0 ACAEMP CCC[N@@H+]1C[C@@H]2C[C@@H]2[C@H]1C[NH3+] 258445513 573889276 /nfs/dbraw/zinc/88/92/76/573889276.db2.gz FKQWZHGOMJZRSX-XHNCKOQMSA-N 2 1 154.257 0.675 10 0 ACAEMP CCC[N@H+]1C[C@@H]2C[C@@H]2[C@H]1C[NH3+] 258445513 573889279 /nfs/dbraw/zinc/88/92/79/573889279.db2.gz FKQWZHGOMJZRSX-XHNCKOQMSA-N 2 1 154.257 0.675 10 0 ACAEMP CCn1ccnc1-n1ccnc1CN 87343356 573889310 /nfs/dbraw/zinc/88/93/10/573889310.db2.gz FUOCZHVAIRMXID-UHFFFAOYSA-N 2 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[NH3+][C@@]1(CO)CCCC[N@@H+]2CCC[C@H]21 257913957 573948983 /nfs/dbraw/zinc/94/89/83/573948983.db2.gz QQJVEBKEDIRJKY-VHSXEESVSA-N 2 1 184.283 0.325 10 0 ACAEMP [NH3+][C@@]1(CO)CCCC[N@H+]2CCC[C@H]21 257913957 573948987 /nfs/dbraw/zinc/94/89/87/573948987.db2.gz QQJVEBKEDIRJKY-VHSXEESVSA-N 2 1 184.283 0.325 10 0 ACAEMP CC(C)(C)[NH2+][C@]1(C[NH3+])CCCOC1 257913971 573949004 /nfs/dbraw/zinc/94/90/04/573949004.db2.gz QQTZAHYYYBBJHV-JTQLQIEISA-N 2 1 186.299 0.882 10 0 ACAEMP Cc1c[nH+]c(N)c([C@@](C)(O)CC[NH3+])c1 84997235 573949180 /nfs/dbraw/zinc/94/91/80/573949180.db2.gz KNEGCSZJUADXJI-JTQLQIEISA-N 2 1 195.266 0.529 10 0 ACAEMP C[C@H](CC[NH3+])[N@H+]1CCCC[C@@H]1CO 42432178 573949203 /nfs/dbraw/zinc/94/92/03/573949203.db2.gz PLUWDCWUPPFBBI-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[NH2+]C[C@@H]([C@H]1CC[N@@H+](C)C1)N(C)C 259025515 573949331 /nfs/dbraw/zinc/94/93/31/573949331.db2.gz JEMHKJYCKNTHDE-UWVGGRQHSA-N 2 1 185.315 0.088 10 0 ACAEMP Cc1cc[nH+]c(N)c1[C@](C)(O)CC[NH3+] 84997161 573949349 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FXQZWNODCRHGJI-JTQLQIEISA-N 2 1 197.282 0.470 10 0 ACAEMP [NH3+]CCCC[N@H+]1CCCC[C@H]1CO 42432113 573949838 /nfs/dbraw/zinc/94/98/38/573949838.db2.gz VQUZZPFFEGIQLF-JTQLQIEISA-N 2 1 186.299 0.572 10 0 ACAEMP C[C@H](CC(N)=[NH2+])[N@H+]1CCCC[C@@H]1CO 42432300 573949876 /nfs/dbraw/zinc/94/98/76/573949876.db2.gz NUNQAVOBQHVCBW-RKDXNWHRSA-N 2 1 199.298 0.548 10 0 ACAEMP CC[C@H](CC(N)=[NH2+])[N@H+]1CCC[C@@H]1CO 42432933 573949967 /nfs/dbraw/zinc/94/99/67/573949967.db2.gz XRZLWWUQSUQQPX-RKDXNWHRSA-N 2 1 199.298 0.548 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@H](N)C[NH2+]C2CCC2)C1 258186831 573949988 /nfs/dbraw/zinc/94/99/88/573949988.db2.gz OSWXWXOXKWPFDC-MWLCHTKSSA-N 2 1 197.326 0.408 10 0 ACAEMP C[C@H](C[NH3+])C[N@H+]1CCCC[C@@H]1CO 42432120 573950023 /nfs/dbraw/zinc/95/00/23/573950023.db2.gz DSXBFDMIMSKCLS-NXEZZACHSA-N 2 1 186.299 0.428 10 0 ACAEMP CC[C@@H](CC(N)=[NH2+])[N@H+]1CCC[C@@H]1CO 42432932 573950255 /nfs/dbraw/zinc/95/02/55/573950255.db2.gz XRZLWWUQSUQQPX-DTWKUNHWSA-N 2 1 199.298 0.548 10 0 ACAEMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CC1(C)C 45119265 573950282 /nfs/dbraw/zinc/95/02/82/573950282.db2.gz BIHNFLZKEUTEPE-IUCAKERBSA-N 2 1 186.299 0.297 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@](C)(F)C[NH3+])C1 258461978 573950390 /nfs/dbraw/zinc/95/03/90/573950390.db2.gz HEECORQAVYUUFP-HTQZYQBOSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@@H](C[N@H+]1CCCC[C@@H]1CO)C(N)=[NH2+] 42432297 573950397 /nfs/dbraw/zinc/95/03/97/573950397.db2.gz LZCFOOWHDZIHHF-DTWKUNHWSA-N 2 1 199.298 0.405 10 0 ACAEMP C[C@H](C[N@H+]1CCCC[C@@H]1CO)C(N)=[NH2+] 42432298 573950524 /nfs/dbraw/zinc/95/05/24/573950524.db2.gz LZCFOOWHDZIHHF-RKDXNWHRSA-N 2 1 199.298 0.405 10 0 ACAEMP NC(=[NH2+])CCC[N@H+]1CCC[C@@H]1CO 42432927 573950592 /nfs/dbraw/zinc/95/05/92/573950592.db2.gz RRPWCQBJGSPPMN-MRVPVSSYSA-N 2 1 185.271 0.159 10 0 ACAEMP C[N@H+]1CC[C@H]([C@](C)(F)C[NH3+])C1 258461981 573950659 /nfs/dbraw/zinc/95/06/59/573950659.db2.gz HEECORQAVYUUFP-JGVFFNPUSA-N 2 1 160.236 0.625 10 0 ACAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCO)C1 45134693 573950684 /nfs/dbraw/zinc/95/06/84/573950684.db2.gz YGNHGRLPEYDRBP-JTQLQIEISA-N 2 1 186.299 0.299 10 0 ACAEMP OC[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 42433521 573950720 /nfs/dbraw/zinc/95/07/20/573950720.db2.gz KWIIOZNYFQXYEB-LLVKDONJSA-N 2 1 198.310 0.585 10 0 ACAEMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC1(C)C 45119269 573950723 /nfs/dbraw/zinc/95/07/23/573950723.db2.gz BIHNFLZKEUTEPE-BDAKNGLRSA-N 2 1 186.299 0.297 10 0 ACAEMP C[NH2+]C[C@H]([C@H]1CC[N@@H+](C)C1)N(C)C 259025517 573950945 /nfs/dbraw/zinc/95/09/45/573950945.db2.gz JEMHKJYCKNTHDE-VHSXEESVSA-N 2 1 185.315 0.088 10 0 ACAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCO)C1 45134692 573953085 /nfs/dbraw/zinc/95/30/85/573953085.db2.gz YGNHGRLPEYDRBP-SNVBAGLBSA-N 2 1 186.299 0.299 10 0 ACAEMP C[N@@H+](CCc1cc[nH]c1)CC1C[NH2+]C1 259027020 573953072 /nfs/dbraw/zinc/95/30/72/573953072.db2.gz ZHZIADVOHGEEPO-UHFFFAOYSA-N 2 1 193.294 0.708 10 0 ACAEMP CCC[N@@H+](CCO)CCC(N)=[NH2+] 42452850 573956845 /nfs/dbraw/zinc/95/68/45/573956845.db2.gz OBKNNUOGIQKNHD-UHFFFAOYSA-N 2 1 173.260 0.017 10 0 ACAEMP CC[N@@H+](CCCOC)C[C@H](C)C[NH3+] 42443072 573954073 /nfs/dbraw/zinc/95/40/73/573954073.db2.gz YCOVENUMELJZEP-SNVBAGLBSA-N 2 1 188.315 0.940 10 0 ACAEMP [NH3+]C[C@@H](C1CCC1)[N@@H+]1CCCOCC1 87584978 573954182 /nfs/dbraw/zinc/95/41/82/573954182.db2.gz RZSBLCJTDRMUJH-NSHDSACASA-N 2 1 198.310 0.836 10 0 ACAEMP [NH3+]C[C@@H](C1CCC1)[N@H+]1CCCOCC1 87584978 573954186 /nfs/dbraw/zinc/95/41/86/573954186.db2.gz RZSBLCJTDRMUJH-NSHDSACASA-N 2 1 198.310 0.836 10 0 ACAEMP CCOCC[N@@H+](CC)C[C@H](C)C[NH3+] 42443001 573954235 /nfs/dbraw/zinc/95/42/35/573954235.db2.gz CJMFWRMPNRSRPD-SNVBAGLBSA-N 2 1 188.315 0.940 10 0 ACAEMP C[NH2+]C[C@]1(OC)CCC[N@@H+](C)C1 257910107 573954264 /nfs/dbraw/zinc/95/42/64/573954264.db2.gz QDUODGDCKBWWSD-SECBINFHSA-N 2 1 172.272 0.317 10 0 ACAEMP CCC[N@@H+](CCO)[C@@H]1CCC[C@@H]1[NH3+] 42453178 573956242 /nfs/dbraw/zinc/95/62/42/573956242.db2.gz ZGBYIUCGXXHJRV-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP 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/nfs/dbraw/zinc/95/63/82/573956382.db2.gz FRQKTRZVMGPQIP-UHFFFAOYSA-N 2 1 174.288 0.300 10 0 ACAEMP CC(C)CC1=[NH+][C@@H]2C[NH2+]C[C@@H]2N1 258188755 573956448 /nfs/dbraw/zinc/95/64/48/573956448.db2.gz ZXTUTMJJWMNZHI-OCAPTIKFSA-N 2 1 167.256 0.375 10 0 ACAEMP CCC[N@@H+](CCO)CCCC(N)=[NH2+] 42452852 573956488 /nfs/dbraw/zinc/95/64/88/573956488.db2.gz ZVVOZCWYAGMXJB-UHFFFAOYSA-N 2 1 187.287 0.407 10 0 ACAEMP CCC[N@@H+](CCO)[C@H](CC)CC[NH3+] 42452545 573956673 /nfs/dbraw/zinc/95/66/73/573956673.db2.gz WRYMFOQYKJCMSM-SNVBAGLBSA-N 2 1 188.315 0.818 10 0 ACAEMP CCC[N@@H+](CCO)[C@@H](CC)CC[NH3+] 42452543 573956908 /nfs/dbraw/zinc/95/69/08/573956908.db2.gz WRYMFOQYKJCMSM-JTQLQIEISA-N 2 1 188.315 0.818 10 0 ACAEMP CCC[N@@H+](CCO)C[C@@H](C)C[NH3+] 42452539 573956926 /nfs/dbraw/zinc/95/69/26/573956926.db2.gz BYRHKUHUOWJCSX-VIFPVBQESA-N 2 1 174.288 0.286 10 0 ACAEMP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)CCOC 42458944 573958127 /nfs/dbraw/zinc/95/81/27/573958127.db2.gz IEGMGUPWGOBFIK-BDAKNGLRSA-N 2 1 174.288 0.690 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCCN1[C@@H]1CC[NH2+]C1 235675486 573958128 /nfs/dbraw/zinc/95/81/28/573958128.db2.gz SEXLHQYKCLXEST-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)CCOC 42458944 573958137 /nfs/dbraw/zinc/95/81/37/573958137.db2.gz IEGMGUPWGOBFIK-BDAKNGLRSA-N 2 1 174.288 0.690 10 0 ACAEMP C[NH2+]CC(F)(F)C1CC[NH2+]CC1 257911503 573958170 /nfs/dbraw/zinc/95/81/70/573958170.db2.gz QJAKARRAZWIIJS-UHFFFAOYSA-N 2 1 178.226 0.841 10 0 ACAEMP CC[C@@H](CC[NH3+])[N@@H+](C)CCOC 42458442 573958181 /nfs/dbraw/zinc/95/81/81/573958181.db2.gz RVUZAMRZGKBMST-VIFPVBQESA-N 2 1 174.288 0.692 10 0 ACAEMP [NH3+]C[C@H]1C2CC(C2)[N@@H+]1C1CCC1 257911506 573958200 /nfs/dbraw/zinc/95/82/00/573958200.db2.gz AKZWMYKPKRUBBY-GDRRJGKNSA-N 2 1 166.268 0.960 10 0 ACAEMP C[C@H]1C[NH2+]CC[N@H+]([C@]2(C)CCOC2)C1 123196206 573958201 /nfs/dbraw/zinc/95/82/01/573958201.db2.gz JCMJHADDAFOTLB-WDEREUQCSA-N 2 1 198.310 0.707 10 0 ACAEMP [NH3+]C[C@H]1C2CC(C2)[N@H+]1C1CCC1 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C[NH2+]Cc1coc([C@@H]2CC[N@@H+](C)C2)n1 258198322 574003574 /nfs/dbraw/zinc/00/35/74/574003574.db2.gz SXKWWBFAGMZFRM-MRVPVSSYSA-N 2 1 195.266 0.813 10 0 ACAEMP CCn1c[nH+]cc1[C@@H]1C[C@H]1C[NH3+] 85185472 574004560 /nfs/dbraw/zinc/00/45/60/574004560.db2.gz ISXLLGVIQDFZBT-JGVFFNPUSA-N 2 1 165.240 0.965 10 0 ACAEMP C[C@H](O)C[NH2+]C[C@H]1CCC[C@H](C)[NH2+]1 247864325 574004576 /nfs/dbraw/zinc/00/45/76/574004576.db2.gz HSQPYWCVTMHJGH-LPEHRKFASA-N 2 1 186.299 0.487 10 0 ACAEMP C[C@H](CC[NH3+])[N@H+](C)C1CCN(C)CC1 48247965 574006723 /nfs/dbraw/zinc/00/67/23/574006723.db2.gz ZHKZJOBPLYDXQT-SNVBAGLBSA-N 3 1 199.342 0.750 10 0 ACAEMP CCn1c[nH+]cc1[C@H]1C[C@@H]1[NH3+] 85185281 574006580 /nfs/dbraw/zinc/00/65/80/574006580.db2.gz MXGPCCIMVDKOCA-BQBZGAKWSA-N 2 1 151.213 0.718 10 0 ACAEMP C[C@H](CC[NH3+])[N@@H+](C)C1CCN(C)CC1 48247965 574006725 /nfs/dbraw/zinc/00/67/25/574006725.db2.gz ZHKZJOBPLYDXQT-SNVBAGLBSA-N 3 1 199.342 0.750 10 0 ACAEMP C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](C)[NH2+]1 247864324 574006211 /nfs/dbraw/zinc/00/62/11/574006211.db2.gz HSQPYWCVTMHJGH-KXUCPTDWSA-N 2 1 186.299 0.487 10 0 ACAEMP C[C@H]1C[N@@H+](C[C@@H]2C[C@@H]2C[NH3+])C[C@@H](C)O1 715115095 574006283 /nfs/dbraw/zinc/00/62/83/574006283.db2.gz OFMCKZOTUIIBNA-YTWAJWBKSA-N 2 1 198.310 0.690 10 0 ACAEMP C[N@H+]1CCC[C@@H](C2C[NH2+]C2)C1 259270473 574006474 /nfs/dbraw/zinc/00/64/74/574006474.db2.gz OTCMRGLMJBQBPG-MRVPVSSYSA-N 2 1 154.257 0.548 10 0 ACAEMP CCn1c[nH+]cc1[C@@H]1C[C@@H]1C[NH3+] 85185468 574006499 /nfs/dbraw/zinc/00/64/99/574006499.db2.gz ISXLLGVIQDFZBT-HTQZYQBOSA-N 2 1 165.240 0.965 10 0 ACAEMP C[N@H+]1CC[C@H](Cc2cc(C[NH3+])[nH]n2)C1 259272696 574010721 /nfs/dbraw/zinc/01/07/21/574010721.db2.gz PCZVCNFPCBYTAA-MRVPVSSYSA-N 2 1 194.282 0.363 10 0 ACAEMP C[C@H]1CN([C@H](C)[NH3+])CCC[N@H+]1C 258201174 574009993 /nfs/dbraw/zinc/00/99/93/574009993.db2.gz PUYSKQZNTUKLGY-DTWKUNHWSA-N 2 1 171.288 0.317 10 0 ACAEMP C[C@@H]([NH3+])N1CCC[N@@H+](C)[C@H](C)C1 258201171 574010053 /nfs/dbraw/zinc/01/00/53/574010053.db2.gz PUYSKQZNTUKLGY-BDAKNGLRSA-N 2 1 171.288 0.317 10 0 ACAEMP C[C@H]([NH3+])N1CCC[N@@H+](C)[C@H](C)C1 258201179 574010185 /nfs/dbraw/zinc/01/01/85/574010185.db2.gz PUYSKQZNTUKLGY-RKDXNWHRSA-N 2 1 171.288 0.317 10 0 ACAEMP C[N@H+]1CCC[C@@H](n2cncc2C[NH3+])C1 85197412 574010202 /nfs/dbraw/zinc/01/02/02/574010202.db2.gz LFHHFOGNSLWVEW-SECBINFHSA-N 2 1 194.282 0.609 10 0 ACAEMP C[NH2+]Cc1nc(C[C@H]2CCC[NH2+]2)no1 258202247 574010211 /nfs/dbraw/zinc/01/02/11/574010211.db2.gz ZIYMUSPTKAGHRB-SSDOTTSWSA-N 2 1 196.254 0.084 10 0 ACAEMP C[N@H+]1CC[C@H](Cc2cc(C[NH3+])n[nH]2)C1 259272696 574010727 /nfs/dbraw/zinc/01/07/27/574010727.db2.gz PCZVCNFPCBYTAA-MRVPVSSYSA-N 2 1 194.282 0.363 10 0 ACAEMP C[N@@H+]1CC[C@H](Cc2cc(C[NH3+])n[nH]2)C1 259272696 574010723 /nfs/dbraw/zinc/01/07/23/574010723.db2.gz PCZVCNFPCBYTAA-MRVPVSSYSA-N 2 1 194.282 0.363 10 0 ACAEMP C[N@H+]1CC[C@@H](Cc2cc(C[NH3+])[nH]n2)C1 259272700 574011552 /nfs/dbraw/zinc/01/15/52/574011552.db2.gz PCZVCNFPCBYTAA-QMMMGPOBSA-N 2 1 194.282 0.363 10 0 ACAEMP C[N@@H+]1CC[C@@H](Cc2cc(C[NH3+])n[nH]2)C1 259272700 574011554 /nfs/dbraw/zinc/01/15/54/574011554.db2.gz PCZVCNFPCBYTAA-QMMMGPOBSA-N 2 1 194.282 0.363 10 0 ACAEMP C[N@H+]1CC[C@@H](Cc2cc(C[NH3+])n[nH]2)C1 259272700 574011558 /nfs/dbraw/zinc/01/15/58/574011558.db2.gz PCZVCNFPCBYTAA-QMMMGPOBSA-N 2 1 194.282 0.363 10 0 ACAEMP OCC[NH+]1C[C@H]2C[NH+](C3CC3)C[C@@H]2C1 585382709 574012786 /nfs/dbraw/zinc/01/27/86/574012786.db2.gz RGSFPUKOMIMCKD-UWVGGRQHSA-N 2 1 196.294 0.005 10 0 ACAEMP CC(C)[NH2+]CC(=O)[C@@H]1CCC[N@@H+](C)C1 259274018 574012797 /nfs/dbraw/zinc/01/27/97/574012797.db2.gz UJVRIWCUPHZPGK-SNVBAGLBSA-N 2 1 198.310 0.895 10 0 ACAEMP C[N@@H+]1CCC[C@@H]1C[C@@]1(C)[NH2+]CCO1 258524532 574012539 /nfs/dbraw/zinc/01/25/39/574012539.db2.gz NGNVQUACCNUPHU-ZJUUUORDSA-N 2 1 184.283 0.807 10 0 ACAEMP C[N@H+]1CCC[C@@H]1C[C@@]1(C)[NH2+]CCO1 258524532 574012544 /nfs/dbraw/zinc/01/25/44/574012544.db2.gz NGNVQUACCNUPHU-ZJUUUORDSA-N 2 1 184.283 0.807 10 0 ACAEMP OCC[NH+]1C[C@@H]2C[NH+](C3CC3)C[C@H]2C1 585382708 574013663 /nfs/dbraw/zinc/01/36/63/574013663.db2.gz RGSFPUKOMIMCKD-NXEZZACHSA-N 2 1 196.294 0.005 10 0 ACAEMP CNC(=[NH2+])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 111366826 574013954 /nfs/dbraw/zinc/01/39/54/574013954.db2.gz XONNKQWXHPREDS-DTWKUNHWSA-N 2 1 196.298 0.357 10 0 ACAEMP OCC[N@@H+]1C[C@H]2C[NH+](C3CC3)C[C@H]2C1 585382651 574015125 /nfs/dbraw/zinc/01/51/25/574015125.db2.gz RGSFPUKOMIMCKD-AOOOYVTPSA-N 2 1 196.294 0.005 10 0 ACAEMP OCC[N@H+]1C[C@H]2C[NH+](C3CC3)C[C@H]2C1 585382651 574015129 /nfs/dbraw/zinc/01/51/29/574015129.db2.gz RGSFPUKOMIMCKD-AOOOYVTPSA-N 2 1 196.294 0.005 10 0 ACAEMP OCC[NH+]1C[C@H]2C[N@@H+](C3CC3)C[C@H]2C1 585382651 574015134 /nfs/dbraw/zinc/01/51/34/574015134.db2.gz RGSFPUKOMIMCKD-AOOOYVTPSA-N 2 1 196.294 0.005 10 0 ACAEMP OCC[NH+]1C[C@H]2C[N@H+](C3CC3)C[C@H]2C1 585382651 574015136 /nfs/dbraw/zinc/01/51/36/574015136.db2.gz RGSFPUKOMIMCKD-AOOOYVTPSA-N 2 1 196.294 0.005 10 0 ACAEMP [NH3+]C/C=C1/CC[N@H+]2CCC[C@H]12 123398301 574015150 /nfs/dbraw/zinc/01/51/50/574015150.db2.gz RXVVLLUHCFDPLS-PTDYZRSTSA-N 2 1 152.241 0.740 10 0 ACAEMP [NH3+]C/C=C1/CC[N@H+]2CCC[C@@H]12 123398469 574015411 /nfs/dbraw/zinc/01/54/11/574015411.db2.gz RXVVLLUHCFDPLS-CHDHTGKKSA-N 2 1 152.241 0.740 10 0 ACAEMP C[C@H]([NH3+])CC(=O)[C@H]1CCC[N@@H+](C)C1 259274143 574019519 /nfs/dbraw/zinc/01/95/19/574019519.db2.gz UMVJRPRPNPRKBJ-IUCAKERBSA-N 2 1 184.283 0.635 10 0 ACAEMP Cc1cc([C@H]([NH3+])CN)cnc1F 104508013 574019300 /nfs/dbraw/zinc/01/93/00/574019300.db2.gz MGEDHXXTZHVVSE-SSDOTTSWSA-N 2 1 169.203 0.488 10 0 ACAEMP Cc1cncc([C@H]([NH3+])CN)c1 104509454 574019361 /nfs/dbraw/zinc/01/93/61/574019361.db2.gz MLWQNSLDHLNWJS-MRVPVSSYSA-N 2 1 151.213 0.349 10 0 ACAEMP C[C@H]([NH3+])CC(=O)[C@@H]1CCC[N@@H+](C)C1 259274141 574021079 /nfs/dbraw/zinc/02/10/79/574021079.db2.gz UMVJRPRPNPRKBJ-DTWKUNHWSA-N 2 1 184.283 0.635 10 0 ACAEMP C[C@@H]([NH3+])CC(=O)[C@@H]1CCC[N@@H+](C)C1 259274145 574021133 /nfs/dbraw/zinc/02/11/33/574021133.db2.gz UMVJRPRPNPRKBJ-RKDXNWHRSA-N 2 1 184.283 0.635 10 0 ACAEMP CN(C1C[NH2+]C1)[C@H]1CCC[N@@H+](C)CC1 85257256 574021159 /nfs/dbraw/zinc/02/11/59/574021159.db2.gz LVXGCXWVNPWBNN-JTQLQIEISA-N 2 1 197.326 0.374 10 0 ACAEMP [NH3+]Cc1cc(C[C@@H]2CCC[NH2+]2)[nH]n1 259277207 574023446 /nfs/dbraw/zinc/02/34/46/574023446.db2.gz PKDHFBPMBZMXLV-ZETCQYMHSA-N 2 1 180.255 0.163 10 0 ACAEMP [NH3+]Cc1cc(C[C@H]2CCC[NH2+]2)[nH]n1 259277201 574023224 /nfs/dbraw/zinc/02/32/24/574023224.db2.gz PKDHFBPMBZMXLV-SSDOTTSWSA-N 2 1 180.255 0.163 10 0 ACAEMP CCN(c1[nH+]ccn1C)C1C[NH2+]C1 85270487 574024617 /nfs/dbraw/zinc/02/46/17/574024617.db2.gz HJBRBALWSZNSQY-UHFFFAOYSA-N 2 1 180.255 0.218 10 0 ACAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C 85287295 574027516 /nfs/dbraw/zinc/02/75/16/574027516.db2.gz UQPGZGIIDFYVHD-IWSPIJDZSA-N 2 1 154.257 0.546 10 0 ACAEMP C[N@H+]1CCC[C@@H](CC2C[NH2+]C2)C1 259280267 574025822 /nfs/dbraw/zinc/02/58/22/574025822.db2.gz YYNRIMYMSMYRRX-VIFPVBQESA-N 2 1 168.284 0.938 10 0 ACAEMP C1C[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CS1 85282324 574027534 /nfs/dbraw/zinc/02/75/34/574027534.db2.gz PDHXJXALSZISMG-AEJSXWLSSA-N 2 1 198.335 0.643 10 0 ACAEMP CC(C)OCC[N@H+](C)CCC(N)=[NH2+] 49259744 574026359 /nfs/dbraw/zinc/02/63/59/574026359.db2.gz MTCQNWFEZVFBJC-UHFFFAOYSA-N 2 1 187.287 0.669 10 0 ACAEMP CC(C)OCC[N@@H+](C)CCC(N)=[NH2+] 49259744 574026362 /nfs/dbraw/zinc/02/63/62/574026362.db2.gz MTCQNWFEZVFBJC-UHFFFAOYSA-N 2 1 187.287 0.669 10 0 ACAEMP Cn1cc[nH+]c1N1C[C@@H]2C[NH2+]C[C@@H]2C1 85283715 574026645 /nfs/dbraw/zinc/02/66/45/574026645.db2.gz HETLFVDXPZPAOG-DTORHVGOSA-N 2 1 192.266 0.076 10 0 ACAEMP C/C=C/C[NH+]1CC(N2CC[NH2+]CC2)C1 85280118 574026764 /nfs/dbraw/zinc/02/67/64/574026764.db2.gz KQWCNCFTRZFCRA-NSCUHMNNSA-N 2 1 195.310 0.152 10 0 ACAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC 85286570 574026815 /nfs/dbraw/zinc/02/68/15/574026815.db2.gz BOXYGQHOKABVGF-OPRDCNLKSA-N 2 1 168.284 0.936 10 0 ACAEMP CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85284039 574026848 /nfs/dbraw/zinc/02/68/48/574026848.db2.gz MISIOWVQOKRPQS-XHNCKOQMSA-N 2 1 154.257 0.546 10 0 ACAEMP C1CC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 85282242 574027039 /nfs/dbraw/zinc/02/70/39/574027039.db2.gz GQJNMUPVFYMCNQ-AOOOYVTPSA-N 2 1 196.294 0.317 10 0 ACAEMP C[C@H](C1CC1)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282239 574027067 /nfs/dbraw/zinc/02/70/67/574027067.db2.gz UYVNBXSACDXMBZ-IEBDPFPHSA-N 2 1 180.295 0.936 10 0 ACAEMP CC(C)[N@H+]1C2CC(C2)[C@@H]1CN 258467096 574027071 /nfs/dbraw/zinc/02/70/71/574027071.db2.gz HULRYZQPICTNBF-HACHORDNSA-N 2 1 154.257 0.816 10 0 ACAEMP CC(C)[N@H+]1C2CC(C2)[C@@H]1C[NH3+] 258467096 574027074 /nfs/dbraw/zinc/02/70/74/574027074.db2.gz HULRYZQPICTNBF-HACHORDNSA-N 2 1 154.257 0.816 10 0 ACAEMP c1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)co1 85282030 574027088 /nfs/dbraw/zinc/02/70/88/574027088.db2.gz OCFXLBLOOHNGGP-PHIMTYICSA-N 2 1 192.262 0.931 10 0 ACAEMP c1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)co1 85282030 574027091 /nfs/dbraw/zinc/02/70/91/574027091.db2.gz OCFXLBLOOHNGGP-PHIMTYICSA-N 2 1 192.262 0.931 10 0 ACAEMP C1C[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CS1 85282323 574027441 /nfs/dbraw/zinc/02/74/41/574027441.db2.gz PDHXJXALSZISMG-KXUCPTDWSA-N 2 1 198.335 0.643 10 0 ACAEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(C)(C)O 85285594 574027316 /nfs/dbraw/zinc/02/73/16/574027316.db2.gz MDIBXCSRMIYLSS-OPRDCNLKSA-N 2 1 198.310 0.297 10 0 ACAEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC1CC1 85284249 574027334 /nfs/dbraw/zinc/02/73/34/574027334.db2.gz AWEPGCPVNZKMHW-FBIMIBRVSA-N 2 1 180.295 0.936 10 0 ACAEMP Cn1cc[nH+]c1N1C[C@H]2C[NH2+]C[C@@H]2C1 85283717 574027367 /nfs/dbraw/zinc/02/73/67/574027367.db2.gz HETLFVDXPZPAOG-RKDXNWHRSA-N 2 1 192.266 0.076 10 0 ACAEMP CC[N@H+]1CCc2[nH+]c(N)[nH]c2C1 85279403 574027372 /nfs/dbraw/zinc/02/73/72/574027372.db2.gz VJXSZYFVDHGMPN-UHFFFAOYSA-N 2 1 166.228 0.370 10 0 ACAEMP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)co1 85282032 574027398 /nfs/dbraw/zinc/02/73/98/574027398.db2.gz OCFXLBLOOHNGGP-QWRGUYRKSA-N 2 1 192.262 0.931 10 0 ACAEMP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1CCCO 85289347 574028985 /nfs/dbraw/zinc/02/89/85/574028985.db2.gz QHSJTDXPHAHFMS-VHSXEESVSA-N 2 1 198.310 0.299 10 0 ACAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC1CC1 85284245 574028562 /nfs/dbraw/zinc/02/85/62/574028562.db2.gz AWEPGCPVNZKMHW-IEBDPFPHSA-N 2 1 180.295 0.936 10 0 ACAEMP C1CC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 85282036 574028573 /nfs/dbraw/zinc/02/85/73/574028573.db2.gz DGDAYAAJFLRPGL-DTORHVGOSA-N 2 1 166.268 0.690 10 0 ACAEMP CCC[N@H+]1CCc2[nH+]c(N)[nH]c2C1 85279342 574028578 /nfs/dbraw/zinc/02/85/78/574028578.db2.gz PXQXALVIPFGUMA-UHFFFAOYSA-N 2 1 180.255 0.760 10 0 ACAEMP CCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85284337 574028597 /nfs/dbraw/zinc/02/85/97/574028597.db2.gz ZGTXLPWOOSVEHG-LPEHRKFASA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1[C@@H]1CCOC1 85284272 574028623 /nfs/dbraw/zinc/02/86/23/574028623.db2.gz FPTNSSNDFMLGDE-DBIOUOCHSA-N 2 1 196.294 0.315 10 0 ACAEMP CCC[C@@H]([NH2+]C)[C@@H]1C[NH2+]CCN1C 259284040 574028640 /nfs/dbraw/zinc/02/86/40/574028640.db2.gz IKWDIMPRLXSRTG-ZJUUUORDSA-N 2 1 185.315 0.278 10 0 ACAEMP C[C@H]([NH3+])COCC[C@@H]1CCC[N@H+]1C 111936306 574028666 /nfs/dbraw/zinc/02/86/66/574028666.db2.gz NKEAIHJEABDHJQ-UWVGGRQHSA-N 2 1 186.299 0.835 10 0 ACAEMP [NH3+]CC[C@H]1[NH2+]Cc2cc(O)ccc21 223777448 574028779 /nfs/dbraw/zinc/02/87/79/574028779.db2.gz HVFURNTUANRYQI-SNVBAGLBSA-N 2 1 178.235 0.885 10 0 ACAEMP [NH3+]CC[C@H]1[NH2+]Cc2ccc(O)cc21 223777703 574028811 /nfs/dbraw/zinc/02/88/11/574028811.db2.gz JXDURTNHMBPDIH-SNVBAGLBSA-N 2 1 178.235 0.885 10 0 ACAEMP C[C@@H](CC[NH3+])[N@H+](C)CCF 87774513 574030083 /nfs/dbraw/zinc/03/00/83/574030083.db2.gz GHUKEFFLQGTKEO-ZETCQYMHSA-N 2 1 148.225 0.625 10 0 ACAEMP C[C@@H](CC[NH3+])[N@@H+](C)CCF 87774513 574030086 /nfs/dbraw/zinc/03/00/86/574030086.db2.gz GHUKEFFLQGTKEO-ZETCQYMHSA-N 2 1 148.225 0.625 10 0 ACAEMP C[C@H](C[NH3+])C[N@H+](C)CCF 87774476 574030091 /nfs/dbraw/zinc/03/00/91/574030091.db2.gz JDOMDAVYSRJAIZ-SSDOTTSWSA-N 2 1 148.225 0.483 10 0 ACAEMP C[C@H](C[NH3+])C[N@@H+](C)CCF 87774476 574030094 /nfs/dbraw/zinc/03/00/94/574030094.db2.gz JDOMDAVYSRJAIZ-SSDOTTSWSA-N 2 1 148.225 0.483 10 0 ACAEMP Cc1nccn1CC[N@@H+](C)CCC[NH3+] 49329562 574030098 /nfs/dbraw/zinc/03/00/98/574030098.db2.gz DYOCFVPWHZHOTM-UHFFFAOYSA-N 2 1 196.298 0.472 10 0 ACAEMP CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85288073 574030100 /nfs/dbraw/zinc/03/01/00/574030100.db2.gz JANWFBSAUNNVPZ-IUCAKERBSA-N 2 1 168.284 0.936 10 0 ACAEMP C[N@@H+]1CC[C@@H](C[NH2+]CCF)C1 87774797 574030305 /nfs/dbraw/zinc/03/03/05/574030305.db2.gz QOHFWBOSLNZBID-QMMMGPOBSA-N 2 1 160.236 0.497 10 0 ACAEMP C[N@H+]1CC[C@@H](C[NH2+]CCF)C1 87774797 574030308 /nfs/dbraw/zinc/03/03/08/574030308.db2.gz QOHFWBOSLNZBID-QMMMGPOBSA-N 2 1 160.236 0.497 10 0 ACAEMP NC(=[NH2+])[C@@H]1CCC[N@H+](CCF)C1 87775712 574030379 /nfs/dbraw/zinc/03/03/79/574030379.db2.gz KBVLMHJVRCJQRH-SSDOTTSWSA-N 2 1 173.235 0.604 10 0 ACAEMP NC(=[NH2+])[C@@H]1CCC[N@@H+](CCF)C1 87775712 574030381 /nfs/dbraw/zinc/03/03/81/574030381.db2.gz KBVLMHJVRCJQRH-SSDOTTSWSA-N 2 1 173.235 0.604 10 0 ACAEMP C[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85289173 574030403 /nfs/dbraw/zinc/03/04/03/574030403.db2.gz JQZXYQQVMWAYES-GUBZILKMSA-N 2 1 198.310 0.297 10 0 ACAEMP NC(=[NH2+])[C@H]1CCC[N@H+](CCF)C1 87775711 574030408 /nfs/dbraw/zinc/03/04/08/574030408.db2.gz KBVLMHJVRCJQRH-ZETCQYMHSA-N 2 1 173.235 0.604 10 0 ACAEMP NC(=[NH2+])[C@H]1CCC[N@@H+](CCF)C1 87775711 574030409 /nfs/dbraw/zinc/03/04/09/574030409.db2.gz KBVLMHJVRCJQRH-ZETCQYMHSA-N 2 1 173.235 0.604 10 0 ACAEMP COCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85289285 574030456 /nfs/dbraw/zinc/03/04/56/574030456.db2.gz BWODYQZDNNZJKA-UWVGGRQHSA-N 2 1 198.310 0.563 10 0 ACAEMP COCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1(C)C 85289277 574030488 /nfs/dbraw/zinc/03/04/88/574030488.db2.gz BWODYQZDNNZJKA-NXEZZACHSA-N 2 1 198.310 0.563 10 0 ACAEMP CC[N@H+]1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 85288076 574030595 /nfs/dbraw/zinc/03/05/95/574030595.db2.gz JANWFBSAUNNVPZ-BDAKNGLRSA-N 2 1 168.284 0.936 10 0 ACAEMP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CCCO 85289341 574030645 /nfs/dbraw/zinc/03/06/45/574030645.db2.gz QHSJTDXPHAHFMS-NXEZZACHSA-N 2 1 198.310 0.299 10 0 ACAEMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CO 49330096 574030698 /nfs/dbraw/zinc/03/06/98/574030698.db2.gz NEYFALRPCJKFQB-MRVPVSSYSA-N 2 1 183.255 0.162 10 0 ACAEMP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CCCO 85289344 574030781 /nfs/dbraw/zinc/03/07/81/574030781.db2.gz QHSJTDXPHAHFMS-ZJUUUORDSA-N 2 1 198.310 0.299 10 0 ACAEMP Cc1[nH+]ccn1CC[NH2+]CCN(C)C 49329973 574030968 /nfs/dbraw/zinc/03/09/68/574030968.db2.gz OBRMZTBZOWIOFT-UHFFFAOYSA-N 3 1 196.298 0.343 10 0 ACAEMP C[N@@H+]1CC[C@H](C[NH2+]CCF)C1 87774796 574031264 /nfs/dbraw/zinc/03/12/64/574031264.db2.gz QOHFWBOSLNZBID-MRVPVSSYSA-N 2 1 160.236 0.497 10 0 ACAEMP C[N@H+]1CC[C@H](C[NH2+]CCF)C1 87774796 574031267 /nfs/dbraw/zinc/03/12/67/574031267.db2.gz QOHFWBOSLNZBID-MRVPVSSYSA-N 2 1 160.236 0.497 10 0 ACAEMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)CO 49330086 574031285 /nfs/dbraw/zinc/03/12/85/574031285.db2.gz NAMQVGGTQIEAMW-UHFFFAOYSA-N 2 1 197.282 0.552 10 0 ACAEMP Cc1[nH+]ccn1CC[NH2+]CCCO 49330098 574031441 /nfs/dbraw/zinc/03/14/41/574031441.db2.gz WTQMJYXGFYGNRI-UHFFFAOYSA-N 2 1 183.255 0.164 10 0 ACAEMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CO 49330095 574031359 /nfs/dbraw/zinc/03/13/59/574031359.db2.gz NEYFALRPCJKFQB-QMMMGPOBSA-N 2 1 183.255 0.162 10 0 ACAEMP C[NH2+]CCN(C)CCn1cc[nH+]c1C 49330742 574031365 /nfs/dbraw/zinc/03/13/65/574031365.db2.gz SDXZEUBNILTBIG-UHFFFAOYSA-N 2 1 196.298 0.343 10 0 ACAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCOC2)[C@H](C)C1 87787556 574035127 /nfs/dbraw/zinc/03/51/27/574035127.db2.gz COACFBSACICZEY-GMTAPVOTSA-N 2 1 198.310 0.848 10 0 ACAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCOC2)[C@H](C)C1 87787556 574035129 /nfs/dbraw/zinc/03/51/29/574035129.db2.gz COACFBSACICZEY-GMTAPVOTSA-N 2 1 198.310 0.848 10 0 ACAEMP C[C@H]1C[NH2+]CCC[N@H+]([C@@H]2CCOC2)C1 87789248 574034959 /nfs/dbraw/zinc/03/49/59/574034959.db2.gz PJMWREFDINGDSD-WDEREUQCSA-N 2 1 198.310 0.707 10 0 ACAEMP C[C@H]1C[NH2+]CC[N@@H+]([C@@H]2CCOC2)C1 87789272 574035298 /nfs/dbraw/zinc/03/52/98/574035298.db2.gz BEWRRPBFGLPSPT-VHSXEESVSA-N 2 1 184.283 0.317 10 0 ACAEMP C[C@H]1C[NH2+]CC[N@H+]([C@@H]2CCOC2)C1 87789272 574035299 /nfs/dbraw/zinc/03/52/99/574035299.db2.gz BEWRRPBFGLPSPT-VHSXEESVSA-N 2 1 184.283 0.317 10 0 ACAEMP C[C@@H]1CC[N@@H+]([C@@H]2CCOC2)CC[NH2+]1 87789254 574035559 /nfs/dbraw/zinc/03/55/59/574035559.db2.gz UANIWTOTTJOVLD-NXEZZACHSA-N 2 1 184.283 0.459 10 0 ACAEMP C[C@@H]1CC[N@H+]([C@@H]2CCOC2)CC[NH2+]1 87789254 574035561 /nfs/dbraw/zinc/03/55/61/574035561.db2.gz UANIWTOTTJOVLD-NXEZZACHSA-N 2 1 184.283 0.459 10 0 ACAEMP C[C@@H]1C[NH2+]CCC[N@H+]([C@@H]2CCOC2)C1 87789245 574035633 /nfs/dbraw/zinc/03/56/33/574035633.db2.gz PJMWREFDINGDSD-GHMZBOCLSA-N 2 1 198.310 0.707 10 0 ACAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCOC2)[C@@H](C)C1 87787558 574035645 /nfs/dbraw/zinc/03/56/45/574035645.db2.gz COACFBSACICZEY-HBNTYKKESA-N 2 1 198.310 0.848 10 0 ACAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCOC2)[C@@H](C)C1 87787558 574035648 /nfs/dbraw/zinc/03/56/48/574035648.db2.gz COACFBSACICZEY-HBNTYKKESA-N 2 1 198.310 0.848 10 0 ACAEMP CC[C@@H]1CC[N@@H+]([C@@H]2CCOC2)CC[NH2+]1 87789274 574035806 /nfs/dbraw/zinc/03/58/06/574035806.db2.gz IGLXSZYCMIXBGY-GHMZBOCLSA-N 2 1 198.310 0.849 10 0 ACAEMP CC[C@@H]1CC[N@H+]([C@@H]2CCOC2)CC[NH2+]1 87789274 574035808 /nfs/dbraw/zinc/03/58/08/574035808.db2.gz IGLXSZYCMIXBGY-GHMZBOCLSA-N 2 1 198.310 0.849 10 0 ACAEMP C[C@H]1CC[N@H+]([C@@H]2CCOC2)CCC[NH2+]1 87789233 574035899 /nfs/dbraw/zinc/03/58/99/574035899.db2.gz KSZUZWGJLSNJPM-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP C[C@@H]1C[NH2+][C@H]1[C@@H]1CC[N@@H+](C)C1 259300248 574046989 /nfs/dbraw/zinc/04/69/89/574046989.db2.gz SJFRDRQMRKMRFB-IWSPIJDZSA-N 2 1 154.257 0.546 10 0 ACAEMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCOC2)CC1 87784975 574035983 /nfs/dbraw/zinc/03/59/83/574035983.db2.gz XWISNMLKZHHXTO-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP C[C@@H]1C[NH2+]CC[N@@H+]([C@@H]2CCOC2)C1 87789270 574036148 /nfs/dbraw/zinc/03/61/48/574036148.db2.gz BEWRRPBFGLPSPT-NXEZZACHSA-N 2 1 184.283 0.317 10 0 ACAEMP C[C@@H]1C[NH2+]CC[N@H+]([C@@H]2CCOC2)C1 87789270 574036150 /nfs/dbraw/zinc/03/61/50/574036150.db2.gz BEWRRPBFGLPSPT-NXEZZACHSA-N 2 1 184.283 0.317 10 0 ACAEMP C[C@@H]1CC[N@H+]([C@@H]2CCOC2)CCC[NH2+]1 87789231 574036285 /nfs/dbraw/zinc/03/62/85/574036285.db2.gz KSZUZWGJLSNJPM-GHMZBOCLSA-N 2 1 198.310 0.849 10 0 ACAEMP CN[C@H]([C@@H]1CC[N@@H+](C)C1)C(C)(C)[NH3+] 259292580 574037303 /nfs/dbraw/zinc/03/73/03/574037303.db2.gz HUWQVPLSDWDHCR-RKDXNWHRSA-N 2 1 185.315 0.263 10 0 ACAEMP CN[C@H]([C@H]1CC[N@@H+](C)C1)C(C)(C)[NH3+] 259292572 574037375 /nfs/dbraw/zinc/03/73/75/574037375.db2.gz HUWQVPLSDWDHCR-DTWKUNHWSA-N 2 1 185.315 0.263 10 0 ACAEMP CCCC[N@@H+]1CCN(C)[C@H](C[NH2+]C)C1 259290458 574037532 /nfs/dbraw/zinc/03/75/32/574037532.db2.gz OZDFKFYWSJYZEI-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP CCCC[N@H+]1CCN(C)[C@H](C[NH2+]C)C1 259290458 574037534 /nfs/dbraw/zinc/03/75/34/574037534.db2.gz OZDFKFYWSJYZEI-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP C[C@@H]1C[NH2+][C@@H](C[C@H]2CCCC[NH2+]2)O1 258468007 574038176 /nfs/dbraw/zinc/03/81/76/574038176.db2.gz KUFHDWIKIVNZNO-OPRDCNLKSA-N 2 1 184.283 0.853 10 0 ACAEMP C[N@H+]1CC[C@H](c2cc(C[NH3+])[nH]n2)C1 259290838 574037583 /nfs/dbraw/zinc/03/75/83/574037583.db2.gz QEMDWASZBWRCRR-ZETCQYMHSA-N 2 1 180.255 0.288 10 0 ACAEMP CCCC[N@@H+]1CCN(C)[C@@H](C[NH2+]C)C1 259290459 574037608 /nfs/dbraw/zinc/03/76/08/574037608.db2.gz OZDFKFYWSJYZEI-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP CCCC[N@H+]1CCN(C)[C@@H](C[NH2+]C)C1 259290459 574037610 /nfs/dbraw/zinc/03/76/10/574037610.db2.gz OZDFKFYWSJYZEI-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP CN[C@@H]([C@H]1CC[N@@H+](C)C1)C(C)(C)[NH3+] 259292575 574037680 /nfs/dbraw/zinc/03/76/80/574037680.db2.gz HUWQVPLSDWDHCR-IUCAKERBSA-N 2 1 185.315 0.263 10 0 ACAEMP C[N@H+]1CCC[C@@H](C(=O)C2C[NH2+]C2)C1 259292510 574037834 /nfs/dbraw/zinc/03/78/34/574037834.db2.gz VUZPRGHPNXLORU-MRVPVSSYSA-N 2 1 182.267 0.117 10 0 ACAEMP C[NH+]1CCN[C@H]([C@@H]2CCC[N@H+](C)C2)C1 259296313 574041082 /nfs/dbraw/zinc/04/10/82/574041082.db2.gz QFQFHVWDXSZBAY-MNOVXSKESA-N 2 1 197.326 0.232 10 0 ACAEMP C[NH+]1CCC[C@@H]([C@@H]2C[N@H+](C)CCN2)C1 259296313 574041085 /nfs/dbraw/zinc/04/10/85/574041085.db2.gz QFQFHVWDXSZBAY-MNOVXSKESA-N 2 1 197.326 0.232 10 0 ACAEMP C[NH+]1CCC[C@@H]([C@@H]2C[N@@H+](C)CCN2)C1 259296313 574041088 /nfs/dbraw/zinc/04/10/88/574041088.db2.gz QFQFHVWDXSZBAY-MNOVXSKESA-N 2 1 197.326 0.232 10 0 ACAEMP C[NH2+]CC[C@@H]([NH3+])c1cccnc1 259294083 574040359 /nfs/dbraw/zinc/04/03/59/574040359.db2.gz JVCFDSZTTCWZQH-SECBINFHSA-N 2 1 165.240 0.691 10 0 ACAEMP Cc1c[nH+]c(N)nc1NCC[NH+](C)C 87807401 574040619 /nfs/dbraw/zinc/04/06/19/574040619.db2.gz WQAHCVPJNWQPHR-UHFFFAOYSA-N 2 1 195.270 0.341 10 0 ACAEMP C[C@@H]1C[NH2+][C@H](C[C@@H]2CCCC[NH2+]2)O1 258468038 574040635 /nfs/dbraw/zinc/04/06/35/574040635.db2.gz KUFHDWIKIVNZNO-UTLUCORTSA-N 2 1 184.283 0.853 10 0 ACAEMP CNc1nc(NCC[NH+](C)C)cc[nH+]1 87807413 574040787 /nfs/dbraw/zinc/04/07/87/574040787.db2.gz KHHJGKNHAKSHBO-UHFFFAOYSA-N 2 1 195.270 0.492 10 0 ACAEMP C[NH+]1CCN[C@H]([C@H]2CCC[N@H+](C)C2)C1 259296318 574040916 /nfs/dbraw/zinc/04/09/16/574040916.db2.gz QFQFHVWDXSZBAY-QWRGUYRKSA-N 2 1 197.326 0.232 10 0 ACAEMP C[NH+]1CCC[C@H]([C@@H]2C[N@H+](C)CCN2)C1 259296318 574040918 /nfs/dbraw/zinc/04/09/18/574040918.db2.gz QFQFHVWDXSZBAY-QWRGUYRKSA-N 2 1 197.326 0.232 10 0 ACAEMP C[NH+]1CCC[C@H]([C@@H]2C[N@@H+](C)CCN2)C1 259296318 574040922 /nfs/dbraw/zinc/04/09/22/574040922.db2.gz QFQFHVWDXSZBAY-QWRGUYRKSA-N 2 1 197.326 0.232 10 0 ACAEMP C[NH+]1CCN[C@@H]([C@@H]2CCC[N@H+](C)C2)C1 259296308 574042326 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/nfs/dbraw/zinc/04/32/00/574043200.db2.gz DOFVZVHNKDQVIV-SSDOTTSWSA-N 2 1 193.254 0.175 10 0 ACAEMP C[N@H+]1CC[C@@H](Nc2cc[nH+]c(N)n2)C1 87822342 574043202 /nfs/dbraw/zinc/04/32/02/574043202.db2.gz DOFVZVHNKDQVIV-SSDOTTSWSA-N 2 1 193.254 0.175 10 0 ACAEMP C[C@H](O)CCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 388682056 574045670 /nfs/dbraw/zinc/04/56/70/574045670.db2.gz IYQYTNJUDUANKY-IVZWLZJFSA-N 2 1 186.299 0.569 10 0 ACAEMP C[C@H](O)CCC[N@H+]1CC[C@@H]([NH3+])[C@H]1C 388682056 574045671 /nfs/dbraw/zinc/04/56/71/574045671.db2.gz IYQYTNJUDUANKY-IVZWLZJFSA-N 2 1 186.299 0.569 10 0 ACAEMP C[N@@H+](C[C@H](O)CC[NH3+])C1CCC1 259299818 574046317 /nfs/dbraw/zinc/04/63/17/574046317.db2.gz UFWYMGJVISJLQH-SECBINFHSA-N 2 1 172.272 0.180 10 0 ACAEMP C[N@H+]([C@H]1CCOC1)C1(C[NH3+])CCCC1 113147863 574046327 /nfs/dbraw/zinc/04/63/27/574046327.db2.gz SSFYEALZFHWTBV-JTQLQIEISA-N 2 1 198.310 0.979 10 0 ACAEMP C[N@@H+]([C@H]1CCOC1)C1(C[NH3+])CCCC1 113147863 574046330 /nfs/dbraw/zinc/04/63/30/574046330.db2.gz SSFYEALZFHWTBV-JTQLQIEISA-N 2 1 198.310 0.979 10 0 ACAEMP C[N@H+]([C@@H]1CCOC1)C1(C[NH3+])CCCC1 113147859 574046490 /nfs/dbraw/zinc/04/64/90/574046490.db2.gz SSFYEALZFHWTBV-SNVBAGLBSA-N 2 1 198.310 0.979 10 0 ACAEMP C[N@@H+]([C@@H]1CCOC1)C1(C[NH3+])CCCC1 113147859 574046492 /nfs/dbraw/zinc/04/64/92/574046492.db2.gz SSFYEALZFHWTBV-SNVBAGLBSA-N 2 1 198.310 0.979 10 0 ACAEMP C[N@@H+](C[C@@H](O)CC[NH3+])C1CCC1 259299821 574046634 /nfs/dbraw/zinc/04/66/34/574046634.db2.gz UFWYMGJVISJLQH-VIFPVBQESA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@H]1C[NH2+][C@@H]1[C@H]1CC[N@@H+](C)C1 259300253 574046836 /nfs/dbraw/zinc/04/68/36/574046836.db2.gz SJFRDRQMRKMRFB-VGMNWLOBSA-N 2 1 154.257 0.546 10 0 ACAEMP C[N@@H+](CCC[NH3+])C[C@H]1CCCO1 19834721 486713036 /nfs/dbraw/zinc/71/30/36/486713036.db2.gz JEMVOJUUCOMJQI-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP C[N@@H+](CCC[NH3+])C[C@@H]1CCCO1 19834720 486713268 /nfs/dbraw/zinc/71/32/68/486713268.db2.gz JEMVOJUUCOMJQI-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP CCOCC[N@@H+](C)CCC[NH3+] 35358868 486716196 /nfs/dbraw/zinc/71/61/96/486716196.db2.gz APMZEKAMFQRRLT-UHFFFAOYSA-N 2 1 160.261 0.304 10 0 ACAEMP [NH3+]CCC[N@H+]1C[C@@H]2C[C@H]1CS2 39291724 486722684 /nfs/dbraw/zinc/72/26/84/486722684.db2.gz FMLGOLCTSJYOMJ-YUMQZZPRSA-N 2 1 172.297 0.525 10 0 ACAEMP CC[NH+](CC)CCC[NH2+]CCC[NH3+] 41620033 486723811 /nfs/dbraw/zinc/72/38/11/486723811.db2.gz BZRFTDQKNOXCHR-UHFFFAOYSA-N 3 1 187.331 0.657 10 0 ACAEMP C[NH2+]CCC[N@@H+](C)C1CCOCC1 42409641 486725117 /nfs/dbraw/zinc/72/51/17/486725117.db2.gz ZOEJAMOPPVVLHO-UHFFFAOYSA-N 2 1 186.299 0.707 10 0 ACAEMP C[NH2+]CCC[NH+]1CCSCC1 42409440 486725908 /nfs/dbraw/zinc/72/59/08/486725908.db2.gz BJTNMXMEOHIOGC-UHFFFAOYSA-N 2 1 174.313 0.645 10 0 ACAEMP C[NH2+]CCC[N@@H+](C)[C@@H](C)COC 42519299 486727224 /nfs/dbraw/zinc/72/72/24/486727224.db2.gz BTQDMLAPNHIQGU-VIFPVBQESA-N 2 1 174.288 0.563 10 0 ACAEMP C[NH2+]CCC[N@@H+](C)[C@H](C)COC 42519300 486727473 /nfs/dbraw/zinc/72/74/73/486727473.db2.gz BTQDMLAPNHIQGU-SECBINFHSA-N 2 1 174.288 0.563 10 0 ACAEMP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 51889628 486742406 /nfs/dbraw/zinc/74/24/06/486742406.db2.gz KYJZEKZJQHTCDV-QWRGUYRKSA-N 2 1 198.310 0.707 10 0 ACAEMP C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC[NH2+]C1 51889626 486743048 /nfs/dbraw/zinc/74/30/48/486743048.db2.gz KYJZEKZJQHTCDV-MNOVXSKESA-N 2 1 198.310 0.707 10 0 ACAEMP C[C@@H]1C[NH+](C[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 51889376 486743204 /nfs/dbraw/zinc/74/32/04/486743204.db2.gz JXPYPILBOQONIS-GMTAPVOTSA-N 2 1 198.310 0.705 10 0 ACAEMP CCC[C@@H](C)[NH2+]CC[NH2+]C 53387755 486749467 /nfs/dbraw/zinc/74/94/67/486749467.db2.gz FSZFWYUMYSQHIY-MRVPVSSYSA-N 2 1 144.262 0.984 10 0 ACAEMP CCC[C@H](C)[NH2+]CC[NH2+]C 53387757 486750117 /nfs/dbraw/zinc/75/01/17/486750117.db2.gz FSZFWYUMYSQHIY-QMMMGPOBSA-N 2 1 144.262 0.984 10 0 ACAEMP C[NH2+][C@@H](C)C[NH2+]CC1CC1 54077089 486754637 /nfs/dbraw/zinc/75/46/37/486754637.db2.gz QDHVUTMHVOWBDO-ZETCQYMHSA-N 2 1 142.246 0.594 10 0 ACAEMP 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/nfs/dbraw/zinc/79/35/70/486793570.db2.gz SJMGXABQJRXMCV-SNVBAGLBSA-N 2 1 199.342 0.607 10 0 ACAEMP Cc1cc(N[C@H](C)C[NH3+])nc(C)[nH+]1 82576040 486816345 /nfs/dbraw/zinc/81/63/45/486816345.db2.gz KDZXSYRCOTZOBW-SSDOTTSWSA-N 2 1 180.255 0.853 10 0 ACAEMP CCN(CC[NH3+])c1cc(C)[nH+]c(C)n1 82591954 486819467 /nfs/dbraw/zinc/81/94/67/486819467.db2.gz AFGXJESXYNCSRJ-UHFFFAOYSA-N 2 1 194.282 0.878 10 0 ACAEMP Cc1cc(N(C)[C@H](C)C[NH3+])nc(C)[nH+]1 82637373 486822184 /nfs/dbraw/zinc/82/21/84/486822184.db2.gz OVROXHAGYWDABE-MRVPVSSYSA-N 2 1 194.282 0.877 10 0 ACAEMP COCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666856 486823580 /nfs/dbraw/zinc/82/35/80/486823580.db2.gz NGOBTYITOCCEMM-SNVBAGLBSA-N 2 1 186.299 0.707 10 0 ACAEMP COCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 82666857 486823638 /nfs/dbraw/zinc/82/36/38/486823638.db2.gz NGOBTYITOCCEMM-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP C[NH2+]CCNc1cc[nH+]c(N(C)C)n1 82924370 486829654 /nfs/dbraw/zinc/82/96/54/486829654.db2.gz YQCJJCYMKQFKCD-UHFFFAOYSA-N 2 1 195.270 0.174 10 0 ACAEMP CN(C)c1nc(NCCC[NH3+])cc[nH+]1 82924203 486829758 /nfs/dbraw/zinc/82/97/58/486829758.db2.gz FXXUDEIJMNQXOI-UHFFFAOYSA-N 2 1 195.270 0.303 10 0 ACAEMP C[C@H](C[NH3+])Nc1cc[nH+]c(N(C)C)n1 82924392 486829952 /nfs/dbraw/zinc/82/99/52/486829952.db2.gz WQUUAJPNZKMRPD-SSDOTTSWSA-N 2 1 195.270 0.302 10 0 ACAEMP Cc1[nH+]ccn1CC[NH2+]CC(C)(C)O 83464978 486836190 /nfs/dbraw/zinc/83/61/90/486836190.db2.gz ZLQNXNKKDZUTEA-UHFFFAOYSA-N 2 1 197.282 0.552 10 0 ACAEMP CCOCCC[N@@H+]1CCC[C@H]1C[NH3+] 83551610 486837058 /nfs/dbraw/zinc/83/70/58/486837058.db2.gz OOJHAMBJBFJTMX-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP CCOCCC[N@H+]1CCC[C@H]1C[NH3+] 83551610 486837061 /nfs/dbraw/zinc/83/70/61/486837061.db2.gz OOJHAMBJBFJTMX-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 83527318 486837167 /nfs/dbraw/zinc/83/71/67/486837167.db2.gz CFNCKRPGVLUIFZ-QWRGUYRKSA-N 2 1 198.310 0.979 10 0 ACAEMP [NH3+]C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCO1 83527318 486837169 /nfs/dbraw/zinc/83/71/69/486837169.db2.gz CFNCKRPGVLUIFZ-QWRGUYRKSA-N 2 1 198.310 0.979 10 0 ACAEMP CC(C)[N@@H+](CCC[NH3+])C[C@@H](C)O 83676372 486839843 /nfs/dbraw/zinc/83/98/43/486839843.db2.gz UYLRYPGWKBEVCG-SECBINFHSA-N 2 1 174.288 0.426 10 0 ACAEMP CC(C)[N@@H+](CCC[NH3+])C[C@H](C)O 83676374 486840160 /nfs/dbraw/zinc/84/01/60/486840160.db2.gz UYLRYPGWKBEVCG-VIFPVBQESA-N 2 1 174.288 0.426 10 0 ACAEMP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 83824104 486842170 /nfs/dbraw/zinc/84/21/70/486842170.db2.gz SCVUCRKZHCNEGZ-DTWKUNHWSA-N 3 1 171.288 0.195 10 0 ACAEMP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 83824105 486842181 /nfs/dbraw/zinc/84/21/81/486842181.db2.gz SCVUCRKZHCNEGZ-RKDXNWHRSA-N 3 1 171.288 0.195 10 0 ACAEMP [NH3+]CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 83824107 486842302 /nfs/dbraw/zinc/84/23/02/486842302.db2.gz SCVUCRKZHCNEGZ-BDAKNGLRSA-N 3 1 171.288 0.195 10 0 ACAEMP [NH3+]CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 83824106 486842424 /nfs/dbraw/zinc/84/24/24/486842424.db2.gz SCVUCRKZHCNEGZ-IUCAKERBSA-N 3 1 171.288 0.195 10 0 ACAEMP CCc1cc(NCC[NH3+])nc(C)[nH+]1 84081965 486853340 /nfs/dbraw/zinc/85/33/40/486853340.db2.gz BHZXEJDZOYRHBL-UHFFFAOYSA-N 2 1 180.255 0.718 10 0 ACAEMP CCc1cc(N(C)CC[NH3+])nc(C)[nH+]1 84082135 486853478 /nfs/dbraw/zinc/85/34/78/486853478.db2.gz OAVVDHJZGSXSSO-UHFFFAOYSA-N 2 1 194.282 0.742 10 0 ACAEMP CCc1cc(NCC[NH2+]C)nc(C)[nH+]1 84082128 486854331 /nfs/dbraw/zinc/85/43/31/486854331.db2.gz MDHWFCNVLIQGJY-UHFFFAOYSA-N 2 1 194.282 0.979 10 0 ACAEMP Cc1cc(N(C)C2C[NH2+]C2)nc(C)[nH+]1 85258424 486867200 /nfs/dbraw/zinc/86/72/00/486867200.db2.gz GDBNXJOZSFNGGO-UHFFFAOYSA-N 2 1 192.266 0.501 10 0 ACAEMP O[C@@H]1CCC[C@H]1[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85283482 486867661 /nfs/dbraw/zinc/86/76/61/486867661.db2.gz UTDBRNNHDBLTFS-LMLFDSFASA-N 2 1 196.294 0.051 10 0 ACAEMP Cc1[nH+]ccn1CCC[N@H+](C)CCO 676721000 486869359 /nfs/dbraw/zinc/86/93/59/486869359.db2.gz GREJHWQEQPTBHG-UHFFFAOYSA-N 2 1 197.282 0.506 10 0 ACAEMP 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/nfs/dbraw/zinc/88/04/65/486880465.db2.gz QEBRTHSFJFCWKU-UHFFFAOYSA-N 2 1 186.299 0.836 10 0 ACAEMP C(C[NH2+][C@@H]1CC[NH2+]C1)COCC1CC1 86725614 486883964 /nfs/dbraw/zinc/88/39/64/486883964.db2.gz CVVHHIJSNGUPNN-LLVKDONJSA-N 2 1 198.310 0.755 10 0 ACAEMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C1 86724918 486884155 /nfs/dbraw/zinc/88/41/55/486884155.db2.gz XOUXDPYFHLXSQS-MNOVXSKESA-N 2 1 197.326 0.422 10 0 ACAEMP CC(C)CC[NH2+][C@H]1CC[NH2+]C1 86724668 486884336 /nfs/dbraw/zinc/88/43/36/486884336.db2.gz HSVNEUWZXNCBRX-VIFPVBQESA-N 2 1 156.273 0.984 10 0 ACAEMP CCCC[NH2+][C@@H]1CC[NH2+]C1 86724578 486884614 /nfs/dbraw/zinc/88/46/14/486884614.db2.gz YNGCZNHIALLNCP-MRVPVSSYSA-N 2 1 142.246 0.738 10 0 ACAEMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C1 86724915 486884694 /nfs/dbraw/zinc/88/46/94/486884694.db2.gz XOUXDPYFHLXSQS-GHMZBOCLSA-N 2 1 197.326 0.422 10 0 ACAEMP CC(C)CC[NH2+][C@@H]1CC[NH2+]C1 86724665 486884713 /nfs/dbraw/zinc/88/47/13/486884713.db2.gz HSVNEUWZXNCBRX-SECBINFHSA-N 2 1 156.273 0.984 10 0 ACAEMP C(C[NH2+][C@H]1CC[NH2+]C1)COCC1CC1 86725617 486884799 /nfs/dbraw/zinc/88/47/99/486884799.db2.gz CVVHHIJSNGUPNN-NSHDSACASA-N 2 1 198.310 0.755 10 0 ACAEMP CCCC[NH2+][C@H]1CC[NH2+]C1 86724580 486884846 /nfs/dbraw/zinc/88/48/46/486884846.db2.gz YNGCZNHIALLNCP-QMMMGPOBSA-N 2 1 142.246 0.738 10 0 ACAEMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C1 86729789 486885334 /nfs/dbraw/zinc/88/53/34/486885334.db2.gz VTNUZYLUSXLFCX-BWZBUEFSSA-N 2 1 140.230 0.346 10 0 ACAEMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH2+]C1 86729833 486885421 /nfs/dbraw/zinc/88/54/21/486885421.db2.gz PISIJFOLYNURRO-SNVBAGLBSA-N 2 1 185.315 0.278 10 0 ACAEMP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C1 86729620 486885465 /nfs/dbraw/zinc/88/54/65/486885465.db2.gz YIQNKHAYEFLBHU-RKDXNWHRSA-N 2 1 172.272 0.220 10 0 ACAEMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 86729787 486885760 /nfs/dbraw/zinc/88/57/60/486885760.db2.gz VTNUZYLUSXLFCX-PRJMDXOYSA-N 2 1 140.230 0.346 10 0 ACAEMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH2+]C1 86729835 486886009 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OCZNNHNRWUKURR-HBNTYKKESA-N 2 1 198.310 0.489 10 0 ACAEMP CCC(O)(CC)C[NH2+][C@H]1CC[NH2+]C1 86730620 486887612 /nfs/dbraw/zinc/88/76/12/486887612.db2.gz JXEZGFXNMQULGT-VIFPVBQESA-N 2 1 186.299 0.489 10 0 ACAEMP O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1 86730512 486887656 /nfs/dbraw/zinc/88/76/56/486887656.db2.gz OCZNNHNRWUKURR-GMTAPVOTSA-N 2 1 198.310 0.489 10 0 ACAEMP C[NH2+]CCCN1CC[N@H+]2CCC[C@@H]2C1 86932377 486889624 /nfs/dbraw/zinc/88/96/24/486889624.db2.gz VNOQIEHOBZNMLF-LLVKDONJSA-N 2 1 197.326 0.376 10 0 ACAEMP C[NH2+]CCC[N@H+](C)[C@H]1CCOC1 87472364 486896118 /nfs/dbraw/zinc/89/61/18/486896118.db2.gz DUUXBAMADYRLEA-VIFPVBQESA-N 2 1 172.272 0.317 10 0 ACAEMP C[NH2+]CCC[N@@H+](C)[C@H]1CCOC1 87472364 486896123 /nfs/dbraw/zinc/89/61/23/486896123.db2.gz DUUXBAMADYRLEA-VIFPVBQESA-N 2 1 172.272 0.317 10 0 ACAEMP C[NH2+]CCC[N@H+](C)[C@@H]1CCOC1 87472363 486896620 /nfs/dbraw/zinc/89/66/20/486896620.db2.gz DUUXBAMADYRLEA-SECBINFHSA-N 2 1 172.272 0.317 10 0 ACAEMP 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197.326 0.408 10 0 ACAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](C[NH3+])C1 903423083 582624402 /nfs/dbraw/zinc/62/44/02/582624402.db2.gz PFILTOVEFYDONP-MXWKQRLJSA-N 3 1 197.326 0.123 10 0 ACAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](C[NH3+])C1 903423083 582624403 /nfs/dbraw/zinc/62/44/03/582624403.db2.gz PFILTOVEFYDONP-MXWKQRLJSA-N 3 1 197.326 0.123 10 0 ACAEMP NC[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903424670 582624424 /nfs/dbraw/zinc/62/44/24/582624424.db2.gz ASMDIRJJMOAKCO-OUAUKWLOSA-N 2 1 197.326 0.537 10 0 ACAEMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 903423412 582624498 /nfs/dbraw/zinc/62/44/98/582624498.db2.gz UYZMGUOJFPYTNQ-MXWKQRLJSA-N 3 1 197.326 0.394 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1[NH3+] 903453881 582624527 /nfs/dbraw/zinc/62/45/27/582624527.db2.gz OKBIWZIXVOLBQQ-CHWFTXMASA-N 2 1 197.326 0.393 10 0 ACAEMP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1N 903453881 582624531 /nfs/dbraw/zinc/62/45/31/582624531.db2.gz OKBIWZIXVOLBQQ-CHWFTXMASA-N 2 1 197.326 0.393 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1N 903453881 582624534 /nfs/dbraw/zinc/62/45/34/582624534.db2.gz OKBIWZIXVOLBQQ-CHWFTXMASA-N 2 1 197.326 0.393 10 0 ACAEMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC(C)(C)N 903463484 582624570 /nfs/dbraw/zinc/62/45/70/582624570.db2.gz CHBCVBOKVHIEQY-ZJUUUORDSA-N 2 1 199.342 0.783 10 0 ACAEMP CN(C[C@@H]1CC[C@H]([NH3+])C1)CC(C)(C)[NH3+] 903463484 582624573 /nfs/dbraw/zinc/62/45/73/582624573.db2.gz CHBCVBOKVHIEQY-ZJUUUORDSA-N 3 1 199.342 0.783 10 0 ACAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903452706 582624705 /nfs/dbraw/zinc/62/47/05/582624705.db2.gz RHLBBMNLCWRNJP-VLEAKVRGSA-N 2 1 197.326 0.535 10 0 ACAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](C[NH3+])C1 903423084 582624621 /nfs/dbraw/zinc/62/46/21/582624621.db2.gz PFILTOVEFYDONP-VWYCJHECSA-N 3 1 197.326 0.123 10 0 ACAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](C[NH3+])C1 903423084 582624624 /nfs/dbraw/zinc/62/46/24/582624624.db2.gz PFILTOVEFYDONP-VWYCJHECSA-N 3 1 197.326 0.123 10 0 ACAEMP C[C@H]1[C@@H](N)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903452706 582624707 /nfs/dbraw/zinc/62/47/07/582624707.db2.gz RHLBBMNLCWRNJP-VLEAKVRGSA-N 2 1 197.326 0.535 10 0 ACAEMP C[C@H]1[C@@H](N)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903452706 582624710 /nfs/dbraw/zinc/62/47/10/582624710.db2.gz RHLBBMNLCWRNJP-VLEAKVRGSA-N 2 1 197.326 0.535 10 0 ACAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](O)C2)C1 903461431 582624668 /nfs/dbraw/zinc/62/46/68/582624668.db2.gz SYXONMUDWBKHQY-HBNTYKKESA-N 2 1 198.310 0.571 10 0 ACAEMP C[N@@H+](CCN)C[C@@H]1CC[C@H]([NH3+])C1 903459011 582624719 /nfs/dbraw/zinc/62/47/19/582624719.db2.gz PLTAHHIHIHCBMD-BDAKNGLRSA-N 2 1 171.288 0.004 10 0 ACAEMP CN(CC[NH3+])C[C@@H]1CC[C@H]([NH3+])C1 903459011 582624722 /nfs/dbraw/zinc/62/47/22/582624722.db2.gz PLTAHHIHIHCBMD-BDAKNGLRSA-N 2 1 171.288 0.004 10 0 ACAEMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 903459133 582624799 /nfs/dbraw/zinc/62/47/99/582624799.db2.gz COTLOJVEMYNQBZ-MNOVXSKESA-N 3 1 199.342 0.655 10 0 ACAEMP C[NH2+]CC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 903453887 582624821 /nfs/dbraw/zinc/62/48/21/582624821.db2.gz OKNSMFIKADORQQ-ZJUUUORDSA-N 3 1 185.315 0.265 10 0 ACAEMP C[NH2+]CC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 903453887 582624822 /nfs/dbraw/zinc/62/48/22/582624822.db2.gz OKNSMFIKADORQQ-ZJUUUORDSA-N 3 1 185.315 0.265 10 0 ACAEMP C[C@@H](CN)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 903424790 582625050 /nfs/dbraw/zinc/62/50/50/582625050.db2.gz GZIXMCVOCLCSLB-AEJSXWLSSA-N 2 1 185.315 0.393 10 0 ACAEMP C[C@@H](C[NH3+])N(C)C[C@@H]1CC[C@H]([NH3+])C1 903424790 582625052 /nfs/dbraw/zinc/62/50/52/582625052.db2.gz GZIXMCVOCLCSLB-AEJSXWLSSA-N 2 1 185.315 0.393 10 0 ACAEMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC([NH3+])C1 903454245 582625158 /nfs/dbraw/zinc/62/51/58/582625158.db2.gz YAPRUEYXXXHWEF-MFQSTILNSA-N 3 1 197.326 0.535 10 0 ACAEMP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC(N)C1 903454245 582625161 /nfs/dbraw/zinc/62/51/61/582625161.db2.gz YAPRUEYXXXHWEF-MFQSTILNSA-N 2 1 197.326 0.535 10 0 ACAEMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC(N)C1 903454245 582625162 /nfs/dbraw/zinc/62/51/62/582625162.db2.gz YAPRUEYXXXHWEF-MFQSTILNSA-N 2 1 197.326 0.535 10 0 ACAEMP C[C@H]1C[C@H](N)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476858 582625188 /nfs/dbraw/zinc/62/51/88/582625188.db2.gz MCOWTBPKWCYTSE-VLEAKVRGSA-N 2 1 197.326 0.535 10 0 ACAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476858 582625190 /nfs/dbraw/zinc/62/51/90/582625190.db2.gz MCOWTBPKWCYTSE-VLEAKVRGSA-N 3 1 197.326 0.535 10 0 ACAEMP C[C@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476858 582625193 /nfs/dbraw/zinc/62/51/93/582625193.db2.gz MCOWTBPKWCYTSE-VLEAKVRGSA-N 3 1 197.326 0.535 10 0 ACAEMP C[C@@H]1C[C@@H](N)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476857 582625264 /nfs/dbraw/zinc/62/52/64/582625264.db2.gz MCOWTBPKWCYTSE-CHWFTXMASA-N 2 1 197.326 0.535 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476857 582625266 /nfs/dbraw/zinc/62/52/66/582625266.db2.gz MCOWTBPKWCYTSE-CHWFTXMASA-N 3 1 197.326 0.535 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476857 582625267 /nfs/dbraw/zinc/62/52/67/582625267.db2.gz MCOWTBPKWCYTSE-CHWFTXMASA-N 3 1 197.326 0.535 10 0 ACAEMP C[C@H](N)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 903474930 582625295 /nfs/dbraw/zinc/62/52/95/582625295.db2.gz VJESEFNCXKFUIT-AEJSXWLSSA-N 2 1 185.315 0.393 10 0 ACAEMP C[C@H]([NH3+])CN(C)C[C@@H]1CC[C@H]([NH3+])C1 903474930 582625296 /nfs/dbraw/zinc/62/52/96/582625296.db2.gz VJESEFNCXKFUIT-AEJSXWLSSA-N 2 1 185.315 0.393 10 0 ACAEMP C[C@@H](N)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 903474931 582625404 /nfs/dbraw/zinc/62/54/04/582625404.db2.gz VJESEFNCXKFUIT-BBBLOLIVSA-N 2 1 185.315 0.393 10 0 ACAEMP C[C@@H]([NH3+])CN(C)C[C@@H]1CC[C@H]([NH3+])C1 903474931 582625405 /nfs/dbraw/zinc/62/54/05/582625405.db2.gz VJESEFNCXKFUIT-BBBLOLIVSA-N 2 1 185.315 0.393 10 0 ACAEMP COCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 903484790 582625308 /nfs/dbraw/zinc/62/53/08/582625308.db2.gz FGLGCTZCPWBVLX-SNVBAGLBSA-N 2 1 198.310 0.897 10 0 ACAEMP CC[N@@H+](CCN)C[C@@H]1CC[C@H]([NH3+])C1 903473003 582625317 /nfs/dbraw/zinc/62/53/17/582625317.db2.gz YSUXVHSXINZGPU-ZJUUUORDSA-N 2 1 185.315 0.394 10 0 ACAEMP CCN(CC[NH3+])C[C@@H]1CC[C@H]([NH3+])C1 903473003 582625320 /nfs/dbraw/zinc/62/53/20/582625320.db2.gz YSUXVHSXINZGPU-ZJUUUORDSA-N 2 1 185.315 0.394 10 0 ACAEMP COCC[NH2+][C@H]1CC[NH2+]C12CCCC2 903484789 582625616 /nfs/dbraw/zinc/62/56/16/582625616.db2.gz FGLGCTZCPWBVLX-JTQLQIEISA-N 2 1 198.310 0.897 10 0 ACAEMP C[NH2+]CCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 903499213 582625674 /nfs/dbraw/zinc/62/56/74/582625674.db2.gz KOGZPKCOXJLSHD-GHMZBOCLSA-N 3 1 199.342 0.513 10 0 ACAEMP C[C@@H]1C[N@@H+](CCC[NH3+])C[C@H]1CC[NH3+] 903499181 582625688 /nfs/dbraw/zinc/62/56/88/582625688.db2.gz IOVMVECWVLJTCR-NXEZZACHSA-N 3 1 185.315 0.252 10 0 ACAEMP C[C@@H]1C[C@H](N)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476859 582625747 /nfs/dbraw/zinc/62/57/47/582625747.db2.gz MCOWTBPKWCYTSE-ZNSHCXBVSA-N 2 1 197.326 0.535 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476859 582625748 /nfs/dbraw/zinc/62/57/48/582625748.db2.gz MCOWTBPKWCYTSE-ZNSHCXBVSA-N 3 1 197.326 0.535 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476859 582625749 /nfs/dbraw/zinc/62/57/49/582625749.db2.gz MCOWTBPKWCYTSE-ZNSHCXBVSA-N 3 1 197.326 0.535 10 0 ACAEMP C[C@H]1C[C@@H](N)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476860 582625983 /nfs/dbraw/zinc/62/59/83/582625983.db2.gz MCOWTBPKWCYTSE-ZRUFSTJUSA-N 2 1 197.326 0.535 10 0 ACAEMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476860 582625987 /nfs/dbraw/zinc/62/59/87/582625987.db2.gz MCOWTBPKWCYTSE-ZRUFSTJUSA-N 3 1 197.326 0.535 10 0 ACAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 903476860 582625991 /nfs/dbraw/zinc/62/59/91/582625991.db2.gz MCOWTBPKWCYTSE-ZRUFSTJUSA-N 3 1 197.326 0.535 10 0 ACAEMP C[N@@H+](CCO)CC1C[C@@H]2CC[C@H](C1)[NH2+]2 903873189 582628336 /nfs/dbraw/zinc/62/83/36/582628336.db2.gz MFEQJDRIJUMTCK-FGWVZKOKSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]CC1C[C@@H]2CC[C@H](C1)[NH2+]2 903919616 582629366 /nfs/dbraw/zinc/62/93/66/582629366.db2.gz OWNYXKWJOFUEAF-OFLUOSHYSA-N 3 1 197.326 0.454 10 0 ACAEMP CC(C)([NH3+])CC[NH2+]C[C@]1(C)CC[NH2+]C1 903940183 582629413 /nfs/dbraw/zinc/62/94/13/582629413.db2.gz ZRUNKLFLWBLOPL-NSHDSACASA-N 3 1 199.342 0.703 10 0 ACAEMP CCC1([NH3+])CC[NH+](CCC[NH3+])CC1 903947769 582629420 /nfs/dbraw/zinc/62/94/20/582629420.db2.gz HLRZAEIZBZEFDS-UHFFFAOYSA-N 3 1 185.315 0.539 10 0 ACAEMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC(C)(C)N 903973426 582629641 /nfs/dbraw/zinc/62/96/41/582629641.db2.gz CWCXUXJLDLHBHI-NXEZZACHSA-N 2 1 199.342 0.559 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]CC1C[C@@H]2CC[C@H](C1)[NH2+]2 903919617 582629701 /nfs/dbraw/zinc/62/97/01/582629701.db2.gz OWNYXKWJOFUEAF-UBJLHIIHSA-N 3 1 197.326 0.454 10 0 ACAEMP CC(C)([NH3+])CC[NH2+]C[C@@]1(C)CC[NH2+]C1 903940182 582630181 /nfs/dbraw/zinc/63/01/81/582630181.db2.gz ZRUNKLFLWBLOPL-LLVKDONJSA-N 3 1 199.342 0.703 10 0 ACAEMP C[N@@H+](CCN)CC1C[C@@H]2CC[C@H](C1)[NH2+]2 903930175 582630220 /nfs/dbraw/zinc/63/02/20/582630220.db2.gz UGOZJQNWYKHHQI-FGWVZKOKSA-N 2 1 197.326 0.408 10 0 ACAEMP CN(CC[NH3+])CC1C[C@@H]2CC[C@H](C1)[NH2+]2 903930175 582630222 /nfs/dbraw/zinc/63/02/22/582630222.db2.gz UGOZJQNWYKHHQI-FGWVZKOKSA-N 2 1 197.326 0.408 10 0 ACAEMP CC(C)([NH3+])CC[NH2+]CC1(C[NH3+])CC1 903940067 582630263 /nfs/dbraw/zinc/63/02/63/582630263.db2.gz VKSFEACFMWAALN-UHFFFAOYSA-N 3 1 185.315 0.442 10 0 ACAEMP C[NH2+]CC[NH2+]CC1C[C@@H]2CC[C@H](C1)[NH2+]2 903918450 582630302 /nfs/dbraw/zinc/63/03/02/582630302.db2.gz ZSZLFKFSLAXHHW-FGWVZKOKSA-N 3 1 197.326 0.326 10 0 ACAEMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC1(C[NH3+])CC1 903968392 582630481 /nfs/dbraw/zinc/63/04/81/582630481.db2.gz UWABPDPNNMUSLX-ZJUUUORDSA-N 3 1 197.326 0.170 10 0 ACAEMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[NH2+]C1 903978422 582630523 /nfs/dbraw/zinc/63/05/23/582630523.db2.gz FCURRUCEEAPREY-GMTAPVOTSA-N 3 1 197.326 0.184 10 0 ACAEMP C[C@@H]1C[NH2+]C[C@H]1NC1CCC([NH3+])CC1 903964118 582630572 /nfs/dbraw/zinc/63/05/72/582630572.db2.gz MFMDZKIWSJWYGF-AGVGLQIMSA-N 2 1 197.326 0.454 10 0 ACAEMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH2+]CC1 903968027 582630617 /nfs/dbraw/zinc/63/06/17/582630617.db2.gz PSPYBBFYOWMYLX-ZJUUUORDSA-N 3 1 197.326 0.184 10 0 ACAEMP C[C@@H]1C[NH2+]C[C@H]1NCC1CC[NH2+]CC1 903964429 582630770 /nfs/dbraw/zinc/63/07/70/582630770.db2.gz QOIOCHFXKNYXQC-MWLCHTKSSA-N 2 1 197.326 0.184 10 0 ACAEMP CC[C@H](COC)[NH2+][C@@H]1C[NH2+]C[C@H]1C 903964848 582630773 /nfs/dbraw/zinc/63/07/73/582630773.db2.gz XAQISBDIVMDMQC-OPRDCNLKSA-N 2 1 186.299 0.609 10 0 ACAEMP CC[C@@H](COC)[NH2+][C@@H]1C[NH2+]C[C@H]1C 903964847 582631056 /nfs/dbraw/zinc/63/10/56/582631056.db2.gz XAQISBDIVMDMQC-KXUCPTDWSA-N 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186.299 0.426 10 0 ACAEMP COCC[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306181435 582689800 /nfs/dbraw/zinc/68/98/00/582689800.db2.gz UTROGLDYSNUHDB-IVZWLZJFSA-N 2 1 184.283 0.302 10 0 ACAEMP COCC[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306181434 582690020 /nfs/dbraw/zinc/69/00/20/582690020.db2.gz UTROGLDYSNUHDB-AEJSXWLSSA-N 2 1 184.283 0.302 10 0 ACAEMP COC[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306462293 582691174 /nfs/dbraw/zinc/69/11/74/582691174.db2.gz GVRKJNWUNGAPSD-XWLWVQCSSA-N 2 1 198.310 0.690 10 0 ACAEMP C[NH2+]CC[NH2+][C@@H]1C[C@H](C)[C@H]1C 307652193 582692227 /nfs/dbraw/zinc/69/22/27/582692227.db2.gz JLBHUAYDCMKKBR-DJLDLDEBSA-N 2 1 156.273 0.840 10 0 ACAEMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 307652194 582692400 /nfs/dbraw/zinc/69/24/00/582692400.db2.gz JLBHUAYDCMKKBR-HRDYMLBCSA-N 2 1 156.273 0.840 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])C12CCC2 606243622 582703619 /nfs/dbraw/zinc/70/36/19/582703619.db2.gz VVGOLEWLKKWAMK-ZETCQYMHSA-N 2 1 140.230 0.572 10 0 ACAEMP CC[N@H+]1CC[C@@H]([NH3+])C12CCC2 606245357 582703969 /nfs/dbraw/zinc/70/39/69/582703969.db2.gz XEDKOVBTBZZQNI-MRVPVSSYSA-N 2 1 154.257 0.962 10 0 ACAEMP CC[N@H+]1CC[C@H]([NH3+])C12CCC2 606245358 582703986 /nfs/dbraw/zinc/70/39/86/582703986.db2.gz XEDKOVBTBZZQNI-QMMMGPOBSA-N 2 1 154.257 0.962 10 0 ACAEMP C[N@H+]1CC[C@@H]([NH3+])C12CCC2 606243620 582704053 /nfs/dbraw/zinc/70/40/53/582704053.db2.gz VVGOLEWLKKWAMK-SSDOTTSWSA-N 2 1 140.230 0.572 10 0 ACAEMP CC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C 37873137 582710472 /nfs/dbraw/zinc/71/04/72/582710472.db2.gz BHCQDNUWZRJZHT-DTWKUNHWSA-N 2 1 174.288 0.297 10 0 ACAEMP CC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C 37873136 582711321 /nfs/dbraw/zinc/71/13/21/582711321.db2.gz BHCQDNUWZRJZHT-RKDXNWHRSA-N 2 1 174.288 0.297 10 0 ACAEMP CC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C 37873135 582711346 /nfs/dbraw/zinc/71/13/46/582711346.db2.gz BHCQDNUWZRJZHT-IUCAKERBSA-N 2 1 174.288 0.297 10 0 ACAEMP CC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C 37873134 582711149 /nfs/dbraw/zinc/71/11/49/582711149.db2.gz BHCQDNUWZRJZHT-BDAKNGLRSA-N 2 1 174.288 0.297 10 0 ACAEMP COCC[N@@H+](CCN)C1CCCC1 42428147 582712905 /nfs/dbraw/zinc/71/29/05/582712905.db2.gz OMTZPPFAAOPPJJ-UHFFFAOYSA-N 2 1 186.299 0.836 10 0 ACAEMP COCC[N@H+](CC[NH3+])C1CCCC1 42428147 582712910 /nfs/dbraw/zinc/71/29/10/582712910.db2.gz OMTZPPFAAOPPJJ-UHFFFAOYSA-N 2 1 186.299 0.836 10 0 ACAEMP COCC[N@@H+](CC[NH3+])C1CCCC1 42428147 582712911 /nfs/dbraw/zinc/71/29/11/582712911.db2.gz OMTZPPFAAOPPJJ-UHFFFAOYSA-N 2 1 186.299 0.836 10 0 ACAEMP CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1C 221880629 582818086 /nfs/dbraw/zinc/81/80/86/582818086.db2.gz NTGKGMGTUDFSNE-MRVPVSSYSA-N 2 1 184.287 0.214 10 0 ACAEMP CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1C 221880569 582818801 /nfs/dbraw/zinc/81/88/01/582818801.db2.gz NTGKGMGTUDFSNE-QMMMGPOBSA-N 2 1 184.287 0.214 10 0 ACAEMP CC[C@H]([NH3+])[C@](C)([NH3+])CC(=O)OC 757159423 582942173 /nfs/dbraw/zinc/94/21/73/582942173.db2.gz WENWUJVQGKNDJG-POYBYMJQSA-N 2 1 174.244 0.004 10 0 ACAEMP COC[C@H](C)[N@@H+]1CCC[C@]12CC[NH2+]C2 757131904 582942381 /nfs/dbraw/zinc/94/23/81/582942381.db2.gz ASNCCMQXRXCUBF-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP COC[C@H](C)[N@H+]1CCC[C@]12CC[NH2+]C2 757131904 582942384 /nfs/dbraw/zinc/94/23/84/582942384.db2.gz ASNCCMQXRXCUBF-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP CC[C@@H]([NH3+])[C@](C)([NH3+])CC(=O)OC 757159421 582942943 /nfs/dbraw/zinc/94/29/43/582942943.db2.gz WENWUJVQGKNDJG-HTRCEHHLSA-N 2 1 174.244 0.004 10 0 ACAEMP C1CC2(CC[NH2+]1)[NH2+]CC[C@@H](C1CC1)O2 757146432 582944762 /nfs/dbraw/zinc/94/47/62/582944762.db2.gz KVESGXWFVWWENV-JTQLQIEISA-N 2 1 196.294 0.855 10 0 ACAEMP C1CC2(CC[NH2+]1)[NH2+]CC[C@H](C1CC1)O2 757146442 582945056 /nfs/dbraw/zinc/94/50/56/582945056.db2.gz KVESGXWFVWWENV-SNVBAGLBSA-N 2 1 196.294 0.855 10 0 ACAEMP CCOC(=O)C[C@](C)([NH3+])[C@H]([NH3+])CC 757159006 582945387 /nfs/dbraw/zinc/94/53/87/582945387.db2.gz JVRWJLLUHFDDNK-APPZFPTMSA-N 2 1 188.271 0.394 10 0 ACAEMP CCOC(=O)C[C@](C)([NH3+])[C@H](C)[NH3+] 757159388 582945412 /nfs/dbraw/zinc/94/54/12/582945412.db2.gz UHWKIWOSCPTYKY-XPUUQOCRSA-N 2 1 174.244 0.004 10 0 ACAEMP COC(=O)C[C@@](C)([NH3+])[C@@H]([NH3+])C(C)C 757154453 582945534 /nfs/dbraw/zinc/94/55/34/582945534.db2.gz MWJLKUVXYVFFKG-DTWKUNHWSA-N 2 1 188.271 0.250 10 0 ACAEMP CCOC(=O)C[C@@](C)([NH3+])[C@@H]([NH3+])CC 757159182 582945636 /nfs/dbraw/zinc/94/56/36/582945636.db2.gz JVRWJLLUHFDDNK-IONNQARKSA-N 2 1 188.271 0.394 10 0 ACAEMP C[C@@H](CCCC[NH3+])[N@H+]1CC[C@@H]1C(N)=O 757157637 582945780 /nfs/dbraw/zinc/94/57/80/582945780.db2.gz NRPMQZVPMFYXGP-DTWKUNHWSA-N 2 1 199.298 0.064 10 0 ACAEMP C[C@@H](CCCC[NH3+])[N@H+]1CC[C@H]1C(N)=O 757157654 582945831 /nfs/dbraw/zinc/94/58/31/582945831.db2.gz NRPMQZVPMFYXGP-IUCAKERBSA-N 2 1 199.298 0.064 10 0 ACAEMP COC(=O)C[C@](C)([NH3+])[C@H]([NH3+])C(C)C 757154448 582945999 /nfs/dbraw/zinc/94/59/99/582945999.db2.gz MWJLKUVXYVFFKG-BDAKNGLRSA-N 2 1 188.271 0.250 10 0 ACAEMP CCOC(=O)C[C@@](C)([NH3+])[C@H]([NH3+])CC 757159185 582946018 /nfs/dbraw/zinc/94/60/18/582946018.db2.gz JVRWJLLUHFDDNK-VXNVDRBHSA-N 2 1 188.271 0.394 10 0 ACAEMP CCOC(=O)C[C@@](C)([NH3+])[C@H](C)[NH3+] 757159381 582946041 /nfs/dbraw/zinc/94/60/41/582946041.db2.gz UHWKIWOSCPTYKY-POYBYMJQSA-N 2 1 174.244 0.004 10 0 ACAEMP C[C@H](CCCC[NH3+])[N@H+]1CC[C@@H]1C(N)=O 757157671 582946073 /nfs/dbraw/zinc/94/60/73/582946073.db2.gz NRPMQZVPMFYXGP-RKDXNWHRSA-N 2 1 199.298 0.064 10 0 ACAEMP CCOC(=O)C[C@](C)([NH3+])[C@@H](C)[NH3+] 757159384 582946127 /nfs/dbraw/zinc/94/61/27/582946127.db2.gz UHWKIWOSCPTYKY-SVRRBLITSA-N 2 1 174.244 0.004 10 0 ACAEMP CCOC(=O)C[C@](C)([NH3+])[C@@H]([NH3+])CC 757159009 582946223 /nfs/dbraw/zinc/94/62/23/582946223.db2.gz JVRWJLLUHFDDNK-CBAPKCEASA-N 2 1 188.271 0.394 10 0 ACAEMP CCOC(=O)C[C@@](C)([NH3+])[C@@H](C)[NH3+] 757159374 582946245 /nfs/dbraw/zinc/94/62/45/582946245.db2.gz UHWKIWOSCPTYKY-HTRCEHHLSA-N 2 1 174.244 0.004 10 0 ACAEMP C[C@@H]1C[C@H](C2CC[NH2+]CC2)[NH2+]C[C@H]1N 757208302 582950622 /nfs/dbraw/zinc/95/06/22/582950622.db2.gz CHEFTAYAADAIBO-FBIMIBRVSA-N 2 1 197.326 0.311 10 0 ACAEMP C[N@H+]1CC[C@@]2(CCO[C@@H]2C[NH3+])C1 757212373 582950627 /nfs/dbraw/zinc/95/06/27/582950627.db2.gz POFWVVPHYDUYCW-RKDXNWHRSA-N 2 1 170.256 0.056 10 0 ACAEMP C[C@@H]1C[NH2+][C@@H](C2CC[NH2+]CC2)[C@H](N)C1 757209124 582950736 /nfs/dbraw/zinc/95/07/36/582950736.db2.gz DFZQAWAHRVMRRX-GDPRMGEGSA-N 2 1 197.326 0.311 10 0 ACAEMP [NH3+][C@H]1CC[NH2+][C@@H](c2cncnc2)C1 757212720 582950788 /nfs/dbraw/zinc/95/07/88/582950788.db2.gz JPVYVBPHVGWZJH-DTWKUNHWSA-N 2 1 178.239 0.228 10 0 ACAEMP N[C@@H]1CC[C@@H](C2CC[NH2+]CC2)[NH2+]C1 757206408 582950819 /nfs/dbraw/zinc/95/08/19/582950819.db2.gz ACWZSUHDJRMKCC-ZJUUUORDSA-N 2 1 183.299 0.065 10 0 ACAEMP [NH3+]C[C@H]1CCC[NH2+][C@@H]1c1cncnc1 757209418 582950870 /nfs/dbraw/zinc/95/08/70/582950870.db2.gz FBOWGLGVZFNQPD-SCZZXKLOSA-N 2 1 192.266 0.476 10 0 ACAEMP 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186.299 0.441 10 0 ACAEMP CC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 308398105 491101360 /nfs/dbraw/zinc/10/13/60/491101360.db2.gz FPHXRXNQSXWFCL-UWVGGRQHSA-N 2 1 186.299 0.441 10 0 ACAEMP C[C@@H](CN[C@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C 308495713 491107713 /nfs/dbraw/zinc/10/77/13/491107713.db2.gz AADNSPAFFSQIIB-VWYCJHECSA-N 2 1 199.342 0.476 10 0 ACAEMP C[C@@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C 308495713 491107714 /nfs/dbraw/zinc/10/77/14/491107714.db2.gz AADNSPAFFSQIIB-VWYCJHECSA-N 2 1 199.342 0.476 10 0 ACAEMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H](C)[NH+](C)C 308495711 491107767 /nfs/dbraw/zinc/10/77/67/491107767.db2.gz AADNSPAFFSQIIB-MXWKQRLJSA-N 2 1 199.342 0.476 10 0 ACAEMP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H](C)[NH+](C)C 308495711 491107768 /nfs/dbraw/zinc/10/77/68/491107768.db2.gz AADNSPAFFSQIIB-MXWKQRLJSA-N 2 1 199.342 0.476 10 0 ACAEMP C[C@@H](CN[C@@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C 308495712 491107844 /nfs/dbraw/zinc/10/78/44/491107844.db2.gz AADNSPAFFSQIIB-OUAUKWLOSA-N 2 1 199.342 0.476 10 0 ACAEMP C[C@@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C 308495712 491107846 /nfs/dbraw/zinc/10/78/46/491107846.db2.gz AADNSPAFFSQIIB-OUAUKWLOSA-N 2 1 199.342 0.476 10 0 ACAEMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H](C)[NH+](C)C 308495710 491107867 /nfs/dbraw/zinc/10/78/67/491107867.db2.gz AADNSPAFFSQIIB-GMTAPVOTSA-N 2 1 199.342 0.476 10 0 ACAEMP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H](C)[NH+](C)C 308495710 491107870 /nfs/dbraw/zinc/10/78/70/491107870.db2.gz AADNSPAFFSQIIB-GMTAPVOTSA-N 2 1 199.342 0.476 10 0 ACAEMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2CO)CC1 308614745 491114507 /nfs/dbraw/zinc/11/45/07/491114507.db2.gz RNODXLCVMNOGRD-GXSJLCMTSA-N 2 1 198.310 0.441 10 0 ACAEMP COC[C@H](C)[NH2+]CCc1c[nH+]cn1C 308577561 491112480 /nfs/dbraw/zinc/11/24/80/491112480.db2.gz FBEDCJFAMSMMIX-VIFPVBQESA-N 2 1 197.282 0.587 10 0 ACAEMP COC[C@@H](C)[NH2+]CCc1c[nH+]cn1C 308577560 491112602 /nfs/dbraw/zinc/11/26/02/491112602.db2.gz FBEDCJFAMSMMIX-SECBINFHSA-N 2 1 197.282 0.587 10 0 ACAEMP C[C@@H](O)CCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 308590621 491113242 /nfs/dbraw/zinc/11/32/42/491113242.db2.gz VDTLEEVDTQOLCX-MXWKQRLJSA-N 2 1 198.310 0.299 10 0 ACAEMP C[C@H](O)CCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 308590618 491113305 /nfs/dbraw/zinc/11/33/05/491113305.db2.gz VDTLEEVDTQOLCX-GARJFASQSA-N 2 1 198.310 0.299 10 0 ACAEMP CCC[N@@H+](C)C[C@H]1CCN(CC[NH3+])C1 309542788 491119071 /nfs/dbraw/zinc/11/90/71/491119071.db2.gz GTRLANOGJJTFMG-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP CCC[N@@H+](C)C[C@@H]1CCN(CC[NH3+])C1 309542790 491119146 /nfs/dbraw/zinc/11/91/46/491119146.db2.gz GTRLANOGJJTFMG-NSHDSACASA-N 2 1 199.342 0.609 10 0 ACAEMP C[C@H](C[NH3+])C[N@H+](C)C1CCN(C)CC1 11822403 1188765762 /nfs/dbraw/zinc/76/57/62/1188765762.db2.gz WDWDGDOOCUNALE-SNVBAGLBSA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@H](C[NH3+])C[N@@H+](C)C1CCN(C)CC1 11822403 1188765764 /nfs/dbraw/zinc/76/57/64/1188765764.db2.gz WDWDGDOOCUNALE-SNVBAGLBSA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@H]([NH3+])CN(C)[C@@H]1CCC[N@@H+](C)C1 53244741 1188769568 /nfs/dbraw/zinc/76/95/68/1188769568.db2.gz JNFBDHAWYJPXSQ-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP COC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 53195380 1188769691 /nfs/dbraw/zinc/76/96/91/1188769691.db2.gz RDMJDPNFICOCRG-VHSXEESVSA-N 2 1 186.299 0.563 10 0 ACAEMP C[C@H](C[NH3+])CN(C)[C@@H]1CCC[N@@H+](C)C1 53205837 1188769893 /nfs/dbraw/zinc/76/98/93/1188769893.db2.gz UXGUNBWSASETHQ-GHMZBOCLSA-N 2 1 199.342 0.607 10 0 ACAEMP CC[C@H]([NH3+])CN(C)[C@@H]1CCC[N@@H+](C)C1 53244773 1188769907 /nfs/dbraw/zinc/76/99/07/1188769907.db2.gz UONPYOUUULEMIG-WDEREUQCSA-N 2 1 199.342 0.750 10 0 ACAEMP COC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 53195379 1188770329 /nfs/dbraw/zinc/77/03/29/1188770329.db2.gz RDMJDPNFICOCRG-ZJUUUORDSA-N 2 1 186.299 0.563 10 0 ACAEMP COC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 53195378 1188770547 /nfs/dbraw/zinc/77/05/47/1188770547.db2.gz RDMJDPNFICOCRG-UWVGGRQHSA-N 2 1 186.299 0.563 10 0 ACAEMP COC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 53195382 1188770593 /nfs/dbraw/zinc/77/05/93/1188770593.db2.gz RDMJDPNFICOCRG-NXEZZACHSA-N 2 1 186.299 0.563 10 0 ACAEMP CN(C)C[C@@H]1CCC[N@H+]1CCCC[NH3+] 61642637 1188771850 /nfs/dbraw/zinc/77/18/50/1188771850.db2.gz JRVIRBAQDSIWTJ-NSHDSACASA-N 2 1 199.342 0.751 10 0 ACAEMP C[N@@H+](CCCC[NH3+])CCN1CCCC1 63051109 1188773288 /nfs/dbraw/zinc/77/32/88/1188773288.db2.gz FYEBMHIXMYXOEK-UHFFFAOYSA-N 2 1 199.342 0.753 10 0 ACAEMP CN(CCCC[NH3+])CC[NH+]1CCCC1 63051109 1188773289 /nfs/dbraw/zinc/77/32/89/1188773289.db2.gz FYEBMHIXMYXOEK-UHFFFAOYSA-N 2 1 199.342 0.753 10 0 ACAEMP CN(C)[C@H]1CC[N@@H+](CCCC[NH3+])C1 62964464 1188773604 /nfs/dbraw/zinc/77/36/04/1188773604.db2.gz JGFLOVMNSLXPPK-JTQLQIEISA-N 2 1 185.315 0.361 10 0 ACAEMP C[C@@H]1CC[N@H+](CCCCO)C[C@@H]1[NH3+] 69720106 1188773922 /nfs/dbraw/zinc/77/39/22/1188773922.db2.gz BDIGBQTXQWVGQI-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@@H]1CC[N@@H+](CCCCO)C[C@@H]1[NH3+] 69720106 1188773925 /nfs/dbraw/zinc/77/39/25/1188773925.db2.gz BDIGBQTXQWVGQI-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCCO2)CC1 75124756 1188774259 /nfs/dbraw/zinc/77/42/59/1188774259.db2.gz YBNXQYZOTSMZCO-QWRGUYRKSA-N 2 1 198.310 0.979 10 0 ACAEMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)CC1 75124760 1188774866 /nfs/dbraw/zinc/77/48/66/1188774866.db2.gz YBNXQYZOTSMZCO-MNOVXSKESA-N 2 1 198.310 0.979 10 0 ACAEMP [NH3+]CCCCN1CC[N@H+]2CCC[C@H]2C1 86931881 1188777307 /nfs/dbraw/zinc/77/73/07/1188777307.db2.gz QUVACFVRUOAWDR-NSHDSACASA-N 2 1 197.326 0.505 10 0 ACAEMP [NH3+]CCCCN1CC[N@H+]2CCC[C@@H]2C1 86931879 1188777405 /nfs/dbraw/zinc/77/74/05/1188777405.db2.gz QUVACFVRUOAWDR-LLVKDONJSA-N 2 1 197.326 0.505 10 0 ACAEMP C[C@@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C 158486759 1188780275 /nfs/dbraw/zinc/78/02/75/1188780275.db2.gz WXGHWQPBEMLBLU-MXWKQRLJSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C 158486604 1188780112 /nfs/dbraw/zinc/78/01/12/1188780112.db2.gz WXGHWQPBEMLBLU-AXFHLTTASA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@H]([NH3+])CN(C)[C@H]1CCC[N@@H+](C)C1 158481029 1188780156 /nfs/dbraw/zinc/78/01/56/1188780156.db2.gz JNFBDHAWYJPXSQ-UWVGGRQHSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@@H]1[C@H](CO)CC[N@H+]1C1CC[NH2+]CC1 215178201 1188785879 /nfs/dbraw/zinc/78/58/79/1188785879.db2.gz CXXGAADYQDKFJW-ZJUUUORDSA-N 2 1 198.310 0.441 10 0 ACAEMP C[N@@H+](CCCC[NH3+])CCCCCO 227047022 1188788102 /nfs/dbraw/zinc/78/81/02/1188788102.db2.gz TXSAREOFCCTTOT-UHFFFAOYSA-N 2 1 188.315 0.820 10 0 ACAEMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCO 227728495 1188789540 /nfs/dbraw/zinc/78/95/40/1188789540.db2.gz KFCGRWLIXIGVCN-SNVBAGLBSA-N 2 1 186.299 0.443 10 0 ACAEMP C[NH2+]C[C@H]1CCC[N@H+]1CCCCO 227728495 1188789543 /nfs/dbraw/zinc/78/95/43/1188789543.db2.gz KFCGRWLIXIGVCN-SNVBAGLBSA-N 2 1 186.299 0.443 10 0 ACAEMP CC(C)(O)C[NH2+]C[C@H]1CCC[NH2+]1 232585809 1188793314 /nfs/dbraw/zinc/79/33/14/1188793314.db2.gz RXBITAURIJYYDJ-MRVPVSSYSA-N 2 1 172.272 0.099 10 0 ACAEMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C 252708619 1188795407 /nfs/dbraw/zinc/79/54/07/1188795407.db2.gz APNXREAMJZQCEI-KXUCPTDWSA-N 2 1 186.299 0.297 10 0 ACAEMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCOC2)CC1 306244709 1188796894 /nfs/dbraw/zinc/79/68/94/1188796894.db2.gz VMUKEQQZIJLCLV-QWRGUYRKSA-N 2 1 198.310 0.836 10 0 ACAEMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)CC1 306244710 1188797056 /nfs/dbraw/zinc/79/70/56/1188797056.db2.gz VMUKEQQZIJLCLV-WDEREUQCSA-N 2 1 198.310 0.836 10 0 ACAEMP C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](C)O 306241702 1188797074 /nfs/dbraw/zinc/79/70/74/1188797074.db2.gz MFKGKLHCKKUEIW-UBJLHIIHSA-N 2 1 198.310 0.582 10 0 ACAEMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCOC2)CC1 306244707 1188797082 /nfs/dbraw/zinc/79/70/82/1188797082.db2.gz VMUKEQQZIJLCLV-GHMZBOCLSA-N 2 1 198.310 0.836 10 0 ACAEMP C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](C)O 306241701 1188797103 /nfs/dbraw/zinc/79/71/03/1188797103.db2.gz MFKGKLHCKKUEIW-OFLUOSHYSA-N 2 1 198.310 0.582 10 0 ACAEMP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCOC2)CC1 306244708 1188797171 /nfs/dbraw/zinc/79/71/71/1188797171.db2.gz VMUKEQQZIJLCLV-MNOVXSKESA-N 2 1 198.310 0.836 10 0 ACAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CCO1 306449953 1188798562 /nfs/dbraw/zinc/79/85/62/1188798562.db2.gz YTRGTXNDLJWYFM-GWOFURMSSA-N 2 1 198.310 0.975 10 0 ACAEMP CN1CC(C[NH2+]C2CC[NH+](C)CC2)C1 306549299 1188799797 /nfs/dbraw/zinc/79/97/97/1188799797.db2.gz DLAOTNMTQQXFDV-UHFFFAOYSA-N 2 1 197.326 0.232 10 0 ACAEMP C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCC2)C[NH2+]1 306617880 1188800041 /nfs/dbraw/zinc/80/00/41/1188800041.db2.gz ROFBZGANRKYGKH-NXEZZACHSA-N 2 1 198.310 0.632 10 0 ACAEMP C[C@@H]1CC[C@H]([NH2+]CC2(O)CCC2)C[NH2+]1 306617883 1188800060 /nfs/dbraw/zinc/80/00/60/1188800060.db2.gz ROFBZGANRKYGKH-ZJUUUORDSA-N 2 1 198.310 0.632 10 0 ACAEMP C[C@H]1CC[C@@H]([NH2+]CC2(O)CCC2)C[NH2+]1 306617882 1188800073 /nfs/dbraw/zinc/80/00/73/1188800073.db2.gz ROFBZGANRKYGKH-VHSXEESVSA-N 2 1 198.310 0.632 10 0 ACAEMP C[C@H]1CC[C@H]([NH2+]CC2(O)CCC2)C[NH2+]1 306617881 1188800129 /nfs/dbraw/zinc/80/01/29/1188800129.db2.gz ROFBZGANRKYGKH-UWVGGRQHSA-N 2 1 198.310 0.632 10 0 ACAEMP C[C@@H]1CC[N@@H+](CCCO)CC[NH2+]1 306738644 1188800461 /nfs/dbraw/zinc/80/04/61/1188800461.db2.gz ANNUALWJBODQGC-SECBINFHSA-N 2 1 172.272 0.053 10 0 ACAEMP C[C@@H]1CC[N@H+](CCCO)CC[NH2+]1 306738644 1188800458 /nfs/dbraw/zinc/80/04/58/1188800458.db2.gz ANNUALWJBODQGC-SECBINFHSA-N 2 1 172.272 0.053 10 0 ACAEMP C[NH+](C)C1CN(c2cccc(N)[nH+]2)C1 306720718 1188800923 /nfs/dbraw/zinc/80/09/23/1188800923.db2.gz NRICEMRSHCRNCP-UHFFFAOYSA-N 2 1 192.266 0.414 10 0 ACAEMP C[C@H]1CC[N@H+](CCCO)CC[NH2+]1 306738645 1188801092 /nfs/dbraw/zinc/80/10/92/1188801092.db2.gz ANNUALWJBODQGC-VIFPVBQESA-N 2 1 172.272 0.053 10 0 ACAEMP C[C@H]1CC[N@@H+](CCCO)CC[NH2+]1 306738645 1188801097 /nfs/dbraw/zinc/80/10/97/1188801097.db2.gz ANNUALWJBODQGC-VIFPVBQESA-N 2 1 172.272 0.053 10 0 ACAEMP C[C@H]1CC[C@@H]([NH2+]CC2CC(O)C2)C[NH2+]1 306786506 1188801428 /nfs/dbraw/zinc/80/14/28/1188801428.db2.gz VBPQVPMIYFECDK-QPBDYMMBSA-N 2 1 198.310 0.487 10 0 ACAEMP C[C@@H]1CC[C@H]([NH2+]CC2CC(O)C2)C[NH2+]1 306786507 1188801506 /nfs/dbraw/zinc/80/15/06/1188801506.db2.gz VBPQVPMIYFECDK-VKAADOFISA-N 2 1 198.310 0.487 10 0 ACAEMP C[N@H+]1CCC[C@H]1CO[C@@H]1CCC[NH2+]C1 306904421 1188802887 /nfs/dbraw/zinc/80/28/87/1188802887.db2.gz UJDLFLYJONDNOP-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP C[C@H]1CC[C@H]([NH2+]CC2CC(O)C2)C[NH2+]1 306786508 1188801552 /nfs/dbraw/zinc/80/15/52/1188801552.db2.gz VBPQVPMIYFECDK-XEAZBWPWSA-N 2 1 198.310 0.487 10 0 ACAEMP Cn1cncc1C[NH2+]C1CC[NH2+]CC1 306774572 1188801563 /nfs/dbraw/zinc/80/15/63/1188801563.db2.gz VWXBZDGKTHECAP-UHFFFAOYSA-N 2 1 194.282 0.262 10 0 ACAEMP CC[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 307034440 1188804478 /nfs/dbraw/zinc/80/44/78/1188804478.db2.gz MSSKFCODWLAAEH-GHMZBOCLSA-N 2 1 197.326 0.422 10 0 ACAEMP 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CC[N@H+]1CC[C@H](CN2CC[C@H]([NH3+])C2)C1 37484420 167225292 /nfs/dbraw/zinc/22/52/92/167225292.db2.gz VNMSOUQKUFNUSQ-QWRGUYRKSA-N 2 1 197.326 0.361 10 0 ACAEMP CC[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C 42287836 167226087 /nfs/dbraw/zinc/22/60/87/167226087.db2.gz HTRGBGWMLMLVNT-YUMQZZPRSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[N@H+]1C[C@H](C)N(CC[NH3+])C[C@@H]1C 307422996 167227844 /nfs/dbraw/zinc/22/78/44/167227844.db2.gz NJEVPXRRVOCRFA-UWVGGRQHSA-N 2 1 185.315 0.360 10 0 ACAEMP CC[N@@H+]1C[C@H](C[NH3+])OC(C)(C)C1 11884265 167227979 /nfs/dbraw/zinc/22/79/79/167227979.db2.gz VSPBJBQLWGWVDL-QMMMGPOBSA-N 2 1 172.272 0.444 10 0 ACAEMP CC[N@H+]1C[C@H](C[NH3+])OC(C)(C)C1 11884265 167227981 /nfs/dbraw/zinc/22/79/81/167227981.db2.gz VSPBJBQLWGWVDL-QMMMGPOBSA-N 2 1 172.272 0.444 10 0 ACAEMP CC[N@H+]1C[C@H]([NH3+])CC[C@@H]1C 42287834 167228132 /nfs/dbraw/zinc/22/81/32/167228132.db2.gz HTRGBGWMLMLVNT-JGVFFNPUSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[N@H+]1C[C@H](C)N(CC[NH3+])C[C@H]1C 307423001 167228168 /nfs/dbraw/zinc/22/81/68/167228168.db2.gz NJEVPXRRVOCRFA-ZJUUUORDSA-N 2 1 185.315 0.360 10 0 ACAEMP CC[N@H+]1C[C@@H](C)N(CC[NH3+])C[C@H]1C 307422992 167228176 /nfs/dbraw/zinc/22/81/76/167228176.db2.gz NJEVPXRRVOCRFA-NXEZZACHSA-N 2 1 185.315 0.360 10 0 ACAEMP CC[N@H+]1C[C@@H]2CC([NH3+])C[C@H](C1)N2C 39114406 167228456 /nfs/dbraw/zinc/22/84/56/167228456.db2.gz LTQJKRDRETXHFV-PBINXNQUSA-N 2 1 183.299 0.112 10 0 ACAEMP CC[N@@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 11884262 167228812 /nfs/dbraw/zinc/22/88/12/167228812.db2.gz VSPBJBQLWGWVDL-MRVPVSSYSA-N 2 1 172.272 0.444 10 0 ACAEMP CC[N@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 11884262 167228814 /nfs/dbraw/zinc/22/88/14/167228814.db2.gz VSPBJBQLWGWVDL-MRVPVSSYSA-N 2 1 172.272 0.444 10 0 ACAEMP CC[N@H+]1C[C@@H](C)N(CC[NH3+])C[C@@H]1C 307422998 167228959 /nfs/dbraw/zinc/22/89/59/167228959.db2.gz NJEVPXRRVOCRFA-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP CCNC(=[NH2+])N[C@@H]1C[NH+]2CCC1CC2 52041306 167230085 /nfs/dbraw/zinc/23/00/85/167230085.db2.gz VKZDLLQBOWBICH-SECBINFHSA-N 2 1 196.298 0.214 10 0 ACAEMP CCNC(=[NH2+])N[C@@H]1CCC[N@H+](C)C1 52043217 167230137 /nfs/dbraw/zinc/23/01/37/167230137.db2.gz SYBYNFWITNTMAA-MRVPVSSYSA-N 2 1 184.287 0.214 10 0 ACAEMP CCNC(=[NH2+])N[C@@H]1CCC[N@@H+](C)C1 52043217 167230138 /nfs/dbraw/zinc/23/01/38/167230138.db2.gz SYBYNFWITNTMAA-MRVPVSSYSA-N 2 1 184.287 0.214 10 0 ACAEMP CCNC(=[NH2+])NCCc1[nH+]ccn1C 52043186 167230155 /nfs/dbraw/zinc/23/01/55/167230155.db2.gz CAVLDPXQMDTUNL-UHFFFAOYSA-N 2 1 195.270 0.096 10 0 ACAEMP CCNC(=[NH2+])N[C@H]1CCC[N@@H+](CC)C1 52043548 167230174 /nfs/dbraw/zinc/23/01/74/167230174.db2.gz HHIZBSOEPMURND-VIFPVBQESA-N 2 1 198.314 0.605 10 0 ACAEMP CCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1C 52043934 167230457 /nfs/dbraw/zinc/23/04/57/167230457.db2.gz SFIXXJRFDIUZCA-SECBINFHSA-N 2 1 198.314 0.605 10 0 ACAEMP CCNC(=[NH2+])N[C@H]1CCC[N@H+](C)C1 52043219 167230565 /nfs/dbraw/zinc/23/05/65/167230565.db2.gz SYBYNFWITNTMAA-QMMMGPOBSA-N 2 1 184.287 0.214 10 0 ACAEMP 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/nfs/dbraw/zinc/23/14/34/167231434.db2.gz SVNQAZOGOIXJDA-VIFPVBQESA-N 2 1 198.314 0.605 10 0 ACAEMP CCNC(=[NH2+])N[C@@H]1CC[N@H+](C2CC2)C1 52044135 167231523 /nfs/dbraw/zinc/23/15/23/167231523.db2.gz UWCYGMMPBHYGCD-MRVPVSSYSA-N 2 1 196.298 0.357 10 0 ACAEMP CCNC(=[NH2+])N[C@@H]1CCC[N@@H+](CC)C1 52043546 167231547 /nfs/dbraw/zinc/23/15/47/167231547.db2.gz HHIZBSOEPMURND-SECBINFHSA-N 2 1 198.314 0.605 10 0 ACAEMP CCN1C(N)=[NH+]C[C@@]12CCC[N@@H+](C)C2 134374880 343942020 /nfs/dbraw/zinc/94/20/20/343942020.db2.gz LTSUPZYWOTZZSC-SNVBAGLBSA-N 2 1 196.298 0.101 10 0 ACAEMP CCN1C(N)=[NH+]C[C@]12CCC[N@@H+](C)C2 134374902 343942041 /nfs/dbraw/zinc/94/20/41/343942041.db2.gz LTSUPZYWOTZZSC-JTQLQIEISA-N 2 1 196.298 0.101 10 0 ACAEMP CC[NH2+]C1(CO)CC[NH+](CC)CC1 38120198 167258506 /nfs/dbraw/zinc/25/85/06/167258506.db2.gz APPVTSGSTILHTO-UHFFFAOYSA-N 2 1 186.299 0.443 10 0 ACAEMP CC[NH2+]C1CC[NH+](CCO)CC1 37469355 167258663 /nfs/dbraw/zinc/25/86/63/167258663.db2.gz XQDBIILTLJZWJG-UHFFFAOYSA-N 2 1 172.272 0.053 10 0 ACAEMP CC[NH2+]C1(C[NH3+])CCOCC1 50270322 167259036 /nfs/dbraw/zinc/25/90/36/167259036.db2.gz RZPGPJQNEHRDSR-UHFFFAOYSA-N 2 1 158.245 0.104 10 0 ACAEMP CCNC1(C[NH3+])C[C@@H]2CC[C@H](C1)[N@H+]2C 50270099 167259377 /nfs/dbraw/zinc/25/93/77/167259377.db2.gz XSXVLBHQXAPTLU-ZACCUICWSA-N 2 1 197.326 0.550 10 0 ACAEMP CC[NH2+]C1(C[NH3+])CCSCC1 50270367 167259386 /nfs/dbraw/zinc/25/93/86/167259386.db2.gz BSTBWOHRZACMQY-UHFFFAOYSA-N 2 1 174.313 0.820 10 0 ACAEMP CC[NH2+]C1(C[NH3+])CCCC1 50270071 167259515 /nfs/dbraw/zinc/25/95/15/167259515.db2.gz VRESENKXXGHITO-UHFFFAOYSA-N 2 1 142.246 0.867 10 0 ACAEMP C[C@H]1OCC[C@@]1(C[NH3+])[NH+]1CCCC1 134404009 343942423 /nfs/dbraw/zinc/94/24/23/343942423.db2.gz GWROKGIOMHCGRR-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP CC[NH2+]C1(CO)C[C@@H]2CC[C@H](C1)[N@H+]2C 38120273 167259899 /nfs/dbraw/zinc/25/98/99/167259899.db2.gz IQQDSAODAYDMBM-ZACCUICWSA-N 2 1 198.310 0.584 10 0 ACAEMP CC[NH2+]CC(C)(C)C[N@@H+](C)CCO 51249639 167261232 /nfs/dbraw/zinc/26/12/32/167261232.db2.gz WLSJIFBGHWZANI-UHFFFAOYSA-N 2 1 188.315 0.546 10 0 ACAEMP CC[NH2+]CCC[NH+]1CCC(O)CC1 42409282 167261292 /nfs/dbraw/zinc/26/12/92/167261292.db2.gz ZCBRLVQCMKVFTC-UHFFFAOYSA-N 2 1 186.299 0.443 10 0 ACAEMP CC[NH2+]CCC[N@@H+](C)C[C@H](C)O 51839700 167261991 /nfs/dbraw/zinc/26/19/91/167261991.db2.gz FFJWFVXGXPJJPM-VIFPVBQESA-N 2 1 174.288 0.299 10 0 ACAEMP CC[NH2+]CCC[N@@H+](CC)CCO 42409689 167262152 /nfs/dbraw/zinc/26/21/52/167262152.db2.gz CQFNGVJPZVREAE-UHFFFAOYSA-N 2 1 174.288 0.300 10 0 ACAEMP CC[NH2+]CCC[N@H+]1CCC[C@H]1CO 42433532 167262529 /nfs/dbraw/zinc/26/25/29/167262529.db2.gz ASGUMLTUOMZAPG-JTQLQIEISA-N 2 1 186.299 0.443 10 0 ACAEMP CC[NH2+]CCC[N@H+](C)CCOC 42460083 167262611 /nfs/dbraw/zinc/26/26/11/167262611.db2.gz ODQFJHGSPKRFNF-UHFFFAOYSA-N 2 1 174.288 0.564 10 0 ACAEMP CC[NH2+]CCC[N@@H+](C)CCOC 42460083 167262612 /nfs/dbraw/zinc/26/26/12/167262612.db2.gz ODQFJHGSPKRFNF-UHFFFAOYSA-N 2 1 174.288 0.564 10 0 ACAEMP CC[NH2+]CCC[N@@H+](C)C[C@@H](C)O 51839698 167262734 /nfs/dbraw/zinc/26/27/34/167262734.db2.gz FFJWFVXGXPJJPM-SECBINFHSA-N 2 1 174.288 0.299 10 0 ACAEMP CC[NH2+]CCC[N@@H+](CCO)C1CC1 42480626 167262967 /nfs/dbraw/zinc/26/29/67/167262967.db2.gz MWPMOPZVVJFHHD-UHFFFAOYSA-N 2 1 186.299 0.443 10 0 ACAEMP CC[NH2+]CCC[N@H+]1CCC[C@H](O)C1 42470375 167263333 /nfs/dbraw/zinc/26/33/33/167263333.db2.gz AIEXTIFEXBEXCI-JTQLQIEISA-N 2 1 186.299 0.443 10 0 ACAEMP CC[NH2+]CCC[N@@H+](CCO)C(C)C 42480602 167263355 /nfs/dbraw/zinc/26/33/55/167263355.db2.gz SMADLUDPPGJBIO-UHFFFAOYSA-N 2 1 188.315 0.689 10 0 ACAEMP CC[NH2+]CCC[NH2+]CCC[NH2+]CC 13605737 167263434 /nfs/dbraw/zinc/26/34/34/167263434.db2.gz FYMKTGYXMFIGTR-UHFFFAOYSA-N 3 1 187.331 0.575 10 0 ACAEMP CC[NH2+]CCC[N@H+]1CCC[C@@H](O)C1 42470377 167263603 /nfs/dbraw/zinc/26/36/03/167263603.db2.gz AIEXTIFEXBEXCI-SNVBAGLBSA-N 2 1 186.299 0.443 10 0 ACAEMP C[C@@H]1OCC[C@]1(C[NH3+])[NH+]1CCCC1 134403989 343942461 /nfs/dbraw/zinc/94/24/61/343942461.db2.gz GWROKGIOMHCGRR-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP CC[NH2+]CCC[N@H+]1CCC[C@@H]1CO 42433531 167263709 /nfs/dbraw/zinc/26/37/09/167263709.db2.gz ASGUMLTUOMZAPG-SNVBAGLBSA-N 2 1 186.299 0.443 10 0 ACAEMP CC[NH2+]CC[NH2+]CC[C@@H]1CCCO1 44651766 167264678 /nfs/dbraw/zinc/26/46/78/167264678.db2.gz KRRJTWVQFDQBDJ-JTQLQIEISA-N 2 1 186.299 0.755 10 0 ACAEMP CC[NH2+]CCN1CCC[N@@H+](C)CC1 42302542 167264698 /nfs/dbraw/zinc/26/46/98/167264698.db2.gz VSCCTXSOPPUZNS-UHFFFAOYSA-N 2 1 185.315 0.233 10 0 ACAEMP CC[NH2+]CCN[C@H]1CC[N@H+](C2CC2)C1 44679492 167265139 /nfs/dbraw/zinc/26/51/39/167265139.db2.gz PFMDJIUMCUDSTL-JTQLQIEISA-N 2 1 197.326 0.422 10 0 ACAEMP CC[NH2+]CC[N@@H+]1CC[C@@H](C)C1 42409716 167265581 /nfs/dbraw/zinc/26/55/81/167265581.db2.gz BHNLTBKTJWYKOY-SECBINFHSA-N 2 1 156.273 0.938 10 0 ACAEMP CC[NH2+]CC[N@H+]1CC[C@@H](C)C1 42409716 167265582 /nfs/dbraw/zinc/26/55/82/167265582.db2.gz BHNLTBKTJWYKOY-SECBINFHSA-N 2 1 156.273 0.938 10 0 ACAEMP CC[NH2+]CCOCCn1cc[nH+]c1C 51844562 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/nfs/dbraw/zinc/27/28/51/167272851.db2.gz KHWAFQNTXKPAPZ-VIFPVBQESA-N 2 1 197.282 0.416 10 0 ACAEMP CC[NH2+]C[C@]1(F)CC[NH2+]C1 39088267 167275795 /nfs/dbraw/zinc/27/57/95/167275795.db2.gz RPGZHAXZSJQDIL-SSDOTTSWSA-N 2 1 146.209 0.298 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@@H+]1CCC[C@@H]1C[NH3+] 134430206 343942923 /nfs/dbraw/zinc/94/29/23/343942923.db2.gz YYNINJXFNMJZDD-AEJSXWLSSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@H+]1CCC[C@@H]1C[NH3+] 134430206 343942924 /nfs/dbraw/zinc/94/29/24/343942924.db2.gz YYNINJXFNMJZDD-AEJSXWLSSA-N 2 1 184.283 0.587 10 0 ACAEMP CC[NH2+][C@@H](C)C[NH2+]C 53493417 167282866 /nfs/dbraw/zinc/28/28/66/167282866.db2.gz IDVZGQNFJWCAQR-LURJTMIESA-N 2 1 116.208 0.204 10 0 ACAEMP CC[NH2+][C@@H](C)CN1CC[N@@H+](C)[C@H](C)C1 82477784 167283010 /nfs/dbraw/zinc/28/30/10/167283010.db2.gz LREGZTJGMSFCBP-WDEREUQCSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[NH2+][C@@H](C)CN1CCC[N@@H+](C)CC1 43818389 167284266 /nfs/dbraw/zinc/28/42/66/167284266.db2.gz PKYSREQJDZVQRK-NSHDSACASA-N 2 1 199.342 0.622 10 0 ACAEMP CC[NH2+][C@@H](C[NH3+])C1CCOCC1 52178019 167287122 /nfs/dbraw/zinc/28/71/22/167287122.db2.gz QNLHHGUEVDMQMM-VIFPVBQESA-N 2 1 172.272 0.350 10 0 ACAEMP CC[NH2+][C@@H](CCO)[C@@H]1CCCC[NH2+]1 95091368 167287356 /nfs/dbraw/zinc/28/73/56/167287356.db2.gz XWCVLCBRUDTLTM-UWVGGRQHSA-N 2 1 186.299 0.489 10 0 ACAEMP CC[NH2+][C@@H](C[NH3+])CC(C)C 32136736 167288032 /nfs/dbraw/zinc/28/80/32/167288032.db2.gz ZMWSOMBWNSMKRW-MRVPVSSYSA-N 2 1 144.262 0.969 10 0 ACAEMP CC[NH2+][C@@H](CCO)[C@H]1CCCC[NH2+]1 95091370 167288455 /nfs/dbraw/zinc/28/84/55/167288455.db2.gz XWCVLCBRUDTLTM-ZJUUUORDSA-N 2 1 186.299 0.489 10 0 ACAEMP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 61146769 167291465 /nfs/dbraw/zinc/29/14/65/167291465.db2.gz FXQOHTXWPIAUMO-WDEREUQCSA-N 2 1 198.310 0.707 10 0 ACAEMP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 61146769 167291468 /nfs/dbraw/zinc/29/14/68/167291468.db2.gz FXQOHTXWPIAUMO-WDEREUQCSA-N 2 1 198.310 0.707 10 0 ACAEMP CC[NH2+][C@@H]1CC[N@@H+](C2CCOCC2)C1 36319885 167292327 /nfs/dbraw/zinc/29/23/27/167292327.db2.gz IBDTULQUEMZGCS-SNVBAGLBSA-N 2 1 198.310 0.849 10 0 ACAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCOCC2)C1 36319885 167292329 /nfs/dbraw/zinc/29/23/29/167292329.db2.gz IBDTULQUEMZGCS-SNVBAGLBSA-N 2 1 198.310 0.849 10 0 ACAEMP CC[NH2+][C@@]1(C[NH3+])CCN(C2CC2)C1 61990743 167292584 /nfs/dbraw/zinc/29/25/84/167292584.db2.gz ZHYKMZZTIQMNRR-SNVBAGLBSA-N 2 1 183.299 0.162 10 0 ACAEMP CC[NH2+][C@@](C)(C[NH3+])CCOC 50270369 167292801 /nfs/dbraw/zinc/29/28/01/167292801.db2.gz MNHUAHZXXPHDDE-MRVPVSSYSA-N 2 1 160.261 0.350 10 0 ACAEMP CC[NH2+][C@@]1(C[NH3+])CCCSC1 61590290 167293371 /nfs/dbraw/zinc/29/33/71/167293371.db2.gz CUBODIKIYFFYDI-MRVPVSSYSA-N 2 1 174.313 0.820 10 0 ACAEMP CC[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 50270277 167293724 /nfs/dbraw/zinc/29/37/24/167293724.db2.gz OOEFNQVSDMDCFQ-JTQLQIEISA-N 2 1 183.299 0.019 10 0 ACAEMP CC[NH2+][C@@]1(C[NH3+])CCSC1 50270056 167294352 /nfs/dbraw/zinc/29/43/52/167294352.db2.gz YARFZUDAJAEAHU-SSDOTTSWSA-N 2 1 160.286 0.430 10 0 ACAEMP CC[NH2+][C@H](C)CN1CCC[N@@H+](C)CC1 43818391 167296093 /nfs/dbraw/zinc/29/60/93/167296093.db2.gz PKYSREQJDZVQRK-LLVKDONJSA-N 2 1 199.342 0.622 10 0 ACAEMP CC[NH2+][C@H](C)C[NH2+]C 53493418 167297299 /nfs/dbraw/zinc/29/72/99/167297299.db2.gz IDVZGQNFJWCAQR-ZCFIWIBFSA-N 2 1 116.208 0.204 10 0 ACAEMP CC[NH2+][C@H](C)CN1CC[N@@H+](C)[C@H](C)C1 82477785 167297361 /nfs/dbraw/zinc/29/73/61/167297361.db2.gz LREGZTJGMSFCBP-GHMZBOCLSA-N 2 1 199.342 0.620 10 0 ACAEMP CC[NH2+][C@H](CCO)[C@H]1CCCC[NH2+]1 95091371 167298227 /nfs/dbraw/zinc/29/82/27/167298227.db2.gz XWCVLCBRUDTLTM-NXEZZACHSA-N 2 1 186.299 0.489 10 0 ACAEMP CC[NH2+][C@H](C[NH3+])CC(C)C 32136737 167299057 /nfs/dbraw/zinc/29/90/57/167299057.db2.gz ZMWSOMBWNSMKRW-QMMMGPOBSA-N 2 1 144.262 0.969 10 0 ACAEMP CC[NH2+][C@H](CCO)[C@@H]1CCCC[NH2+]1 95091369 167299073 /nfs/dbraw/zinc/29/90/73/167299073.db2.gz XWCVLCBRUDTLTM-VHSXEESVSA-N 2 1 186.299 0.489 10 0 ACAEMP CC[NH2+][C@H](C[NH3+])C1CCOCC1 52178021 167299299 /nfs/dbraw/zinc/29/92/99/167299299.db2.gz QNLHHGUEVDMQMM-SECBINFHSA-N 2 1 172.272 0.350 10 0 ACAEMP CC[NH2+][C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 61146770 167301435 /nfs/dbraw/zinc/30/14/35/167301435.db2.gz FXQOHTXWPIAUMO-QWRGUYRKSA-N 2 1 198.310 0.707 10 0 ACAEMP CC[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 61146770 167301436 /nfs/dbraw/zinc/30/14/36/167301436.db2.gz FXQOHTXWPIAUMO-QWRGUYRKSA-N 2 1 198.310 0.707 10 0 ACAEMP CC[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 36319886 167302036 /nfs/dbraw/zinc/30/20/36/167302036.db2.gz IBDTULQUEMZGCS-JTQLQIEISA-N 2 1 198.310 0.849 10 0 ACAEMP CC[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 36319886 167302038 /nfs/dbraw/zinc/30/20/38/167302038.db2.gz IBDTULQUEMZGCS-JTQLQIEISA-N 2 1 198.310 0.849 10 0 ACAEMP CC[NH2+][C@H]1CCC[NH2+]C1 43323617 167302872 /nfs/dbraw/zinc/30/28/72/167302872.db2.gz FUTMGJAGTIOOIF-ZETCQYMHSA-N 2 1 128.219 0.348 10 0 ACAEMP CC[NH2+][C@]1(C[NH3+])CCN(C2CC2)C1 61990742 167303668 /nfs/dbraw/zinc/30/36/68/167303668.db2.gz ZHYKMZZTIQMNRR-JTQLQIEISA-N 2 1 183.299 0.162 10 0 ACAEMP CC[NH2+][C@]1(C[NH3+])CN2CCC1CC2 50270276 167304733 /nfs/dbraw/zinc/30/47/33/167304733.db2.gz OOEFNQVSDMDCFQ-SNVBAGLBSA-N 2 1 183.299 0.019 10 0 ACAEMP CC[NH2+][C@](C)(C[NH3+])CCOC 50270368 167304798 /nfs/dbraw/zinc/30/47/98/167304798.db2.gz MNHUAHZXXPHDDE-QMMMGPOBSA-N 2 1 160.261 0.350 10 0 ACAEMP CC[NH2+][C@]1(C[NH3+])CCSC1 50270055 167305334 /nfs/dbraw/zinc/30/53/34/167305334.db2.gz YARFZUDAJAEAHU-ZETCQYMHSA-N 2 1 160.286 0.430 10 0 ACAEMP CC[NH2+][C@]1(C[NH3+])CCCSC1 61590289 167305630 /nfs/dbraw/zinc/30/56/30/167305630.db2.gz CUBODIKIYFFYDI-QMMMGPOBSA-N 2 1 174.313 0.820 10 0 ACAEMP CC[N@H+]1CCC[C@H]([NH3+])CC1 76575736 167208784 /nfs/dbraw/zinc/20/87/84/167208784.db2.gz ZOABXDCNRPVELI-QMMMGPOBSA-N 2 1 142.246 0.820 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@H+](C)C1(C[NH3+])CCC1 134650109 343947385 /nfs/dbraw/zinc/94/73/85/343947385.db2.gz DDSMVKSAZBVFGY-UWVGGRQHSA-N 2 1 198.310 0.977 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@@H+](C)C1(C[NH3+])CCC1 134650109 343947386 /nfs/dbraw/zinc/94/73/86/343947386.db2.gz DDSMVKSAZBVFGY-UWVGGRQHSA-N 2 1 198.310 0.977 10 0 ACAEMP CCOCCC[N@@H+](C)C[C@H](C)C[NH3+] 49806338 167384847 /nfs/dbraw/zinc/38/48/47/167384847.db2.gz DEJPIUKUWHYEFQ-SNVBAGLBSA-N 2 1 188.315 0.940 10 0 ACAEMP CCOCCC[NH2+][C@@H]1CCC[NH2+]C1 43324361 167386222 /nfs/dbraw/zinc/38/62/22/167386222.db2.gz WZHZREMOGAMUKA-SNVBAGLBSA-N 2 1 186.299 0.755 10 0 ACAEMP CCOCCC[N@@H+](C)C[C@@H](C)C[NH3+] 49806337 167387009 /nfs/dbraw/zinc/38/70/09/167387009.db2.gz DEJPIUKUWHYEFQ-JTQLQIEISA-N 2 1 188.315 0.940 10 0 ACAEMP CCOCC[N@@H+](C)[C@@H](C)CC(N)=[NH2+] 63092196 167387338 /nfs/dbraw/zinc/38/73/38/167387338.db2.gz CTKDEKOCPHYSPR-QMMMGPOBSA-N 2 1 187.287 0.669 10 0 ACAEMP CCOCC[N@@H+](CC)CCC(N)=[NH2+] 42452741 167387611 /nfs/dbraw/zinc/38/76/11/167387611.db2.gz AUTGGUBMPVEYHG-UHFFFAOYSA-N 2 1 187.287 0.671 10 0 ACAEMP CCOCC[N@H+](CC[NH3+])CC(C)C 42691102 167387881 /nfs/dbraw/zinc/38/78/81/167387881.db2.gz WNRCZAXKZKCUQP-UHFFFAOYSA-N 2 1 188.315 0.940 10 0 ACAEMP CCOCC[N@@H+](CC[NH3+])CC(C)C 42691102 167387883 /nfs/dbraw/zinc/38/78/83/167387883.db2.gz WNRCZAXKZKCUQP-UHFFFAOYSA-N 2 1 188.315 0.940 10 0 ACAEMP CCOCC[N@@H+]1CC[NH2+][C@@H](C)CC1 49660705 167388741 /nfs/dbraw/zinc/38/87/41/167388741.db2.gz SHMUWFBPCFLFNQ-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP CCOCC[N@H+]1CC[NH2+][C@@H](C)CC1 49660705 167388743 /nfs/dbraw/zinc/38/87/43/167388743.db2.gz SHMUWFBPCFLFNQ-JTQLQIEISA-N 2 1 186.299 0.707 10 0 ACAEMP CCOCC[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 42459802 167388883 /nfs/dbraw/zinc/38/88/83/167388883.db2.gz JTIRSOQWPHDFGL-MRVPVSSYSA-N 2 1 187.287 0.527 10 0 ACAEMP CCOCC[NH2+]CCn1cc[nH+]c1C 49330156 167388990 /nfs/dbraw/zinc/38/89/90/167388990.db2.gz UEEKSZKGGRSHIX-UHFFFAOYSA-N 2 1 197.282 0.818 10 0 ACAEMP CCOCC[N@H+](C)CCC[NH+](C)C 33611403 167389005 /nfs/dbraw/zinc/38/90/05/167389005.db2.gz WYLUZYJBGBMLFZ-UHFFFAOYSA-N 2 1 188.315 0.906 10 0 ACAEMP CCOCC[N@@H+](C)CCC[NH+](C)C 33611403 167389008 /nfs/dbraw/zinc/38/90/08/167389008.db2.gz WYLUZYJBGBMLFZ-UHFFFAOYSA-N 2 1 188.315 0.906 10 0 ACAEMP CCOCC[N@@H+]1CC[NH2+]C[C@H](C)C1 49660701 167389385 /nfs/dbraw/zinc/38/93/85/167389385.db2.gz YMAFXBBTNCESQN-JTQLQIEISA-N 2 1 186.299 0.564 10 0 ACAEMP CCOCC[N@H+]1CC[NH2+]C[C@H](C)C1 49660701 167389386 /nfs/dbraw/zinc/38/93/86/167389386.db2.gz YMAFXBBTNCESQN-JTQLQIEISA-N 2 1 186.299 0.564 10 0 ACAEMP CCOCC[N@@H+]1CC[NH2+][C@H](C)CC1 49660706 167389570 /nfs/dbraw/zinc/38/95/70/167389570.db2.gz SHMUWFBPCFLFNQ-SNVBAGLBSA-N 2 1 186.299 0.707 10 0 ACAEMP CCOCC[N@H+]1CC[NH2+][C@H](C)CC1 49660706 167389573 /nfs/dbraw/zinc/38/95/73/167389573.db2.gz SHMUWFBPCFLFNQ-SNVBAGLBSA-N 2 1 186.299 0.707 10 0 ACAEMP CCOCC[N@@H+](C)C[C@H](C)C[NH3+] 42455885 167389635 /nfs/dbraw/zinc/38/96/35/167389635.db2.gz YKIPLCLDDRTJDP-SECBINFHSA-N 2 1 174.288 0.550 10 0 ACAEMP CCOCC[N@@H+](C)C[C@@H](C)C[NH3+] 42455884 167389837 /nfs/dbraw/zinc/38/98/37/167389837.db2.gz YKIPLCLDDRTJDP-VIFPVBQESA-N 2 1 174.288 0.550 10 0 ACAEMP CCOCC[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 41067061 167390581 /nfs/dbraw/zinc/39/05/81/167390581.db2.gz GNDQSRJXHOBXEJ-FGWVZKOKSA-N 2 1 198.310 0.977 10 0 ACAEMP CCOCC[N@@H+]1CC[NH2+]C[C@@H](C)C1 49660703 167390600 /nfs/dbraw/zinc/39/06/00/167390600.db2.gz YMAFXBBTNCESQN-SNVBAGLBSA-N 2 1 186.299 0.564 10 0 ACAEMP CCOCC[N@H+]1CC[NH2+]C[C@@H](C)C1 49660703 167390603 /nfs/dbraw/zinc/39/06/03/167390603.db2.gz YMAFXBBTNCESQN-SNVBAGLBSA-N 2 1 186.299 0.564 10 0 ACAEMP CCOCC[NH2+][C@H]1CCCNC1 43325664 167391322 /nfs/dbraw/zinc/39/13/22/167391322.db2.gz RQBKDPWQNXIQJM-VIFPVBQESA-N 2 1 172.272 0.365 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@H+](C)CC(C)(C)[NH3+] 134712260 343948693 /nfs/dbraw/zinc/94/86/93/343948693.db2.gz SYYRCQNAXJLSIG-IUCAKERBSA-N 2 1 186.299 0.833 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@@H+](C)CC(C)(C)[NH3+] 134712260 343948694 /nfs/dbraw/zinc/94/86/94/343948694.db2.gz SYYRCQNAXJLSIG-IUCAKERBSA-N 2 1 186.299 0.833 10 0 ACAEMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCOC1 134716614 343948697 /nfs/dbraw/zinc/94/86/97/343948697.db2.gz YJCBPMBPFHMVOM-MNOVXSKESA-N 2 1 198.310 0.707 10 0 ACAEMP C[C@@H]1OCC[C@H]1[N@@H+](C)C1CC[NH2+]CC1 134700189 343948716 /nfs/dbraw/zinc/94/87/16/343948716.db2.gz ANJAAEPAYZRTPM-GXSJLCMTSA-N 2 1 198.310 0.848 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@H+](C)CC1([NH3+])CC1 134707108 343948726 /nfs/dbraw/zinc/94/87/26/343948726.db2.gz YXPFDERXNMICBV-IUCAKERBSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@@H+](C)CC1([NH3+])CC1 134707108 343948727 /nfs/dbraw/zinc/94/87/27/343948727.db2.gz YXPFDERXNMICBV-IUCAKERBSA-N 2 1 184.283 0.587 10 0 ACAEMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCOC1 134716628 343948740 /nfs/dbraw/zinc/94/87/40/343948740.db2.gz YJCBPMBPFHMVOM-GHMZBOCLSA-N 2 1 198.310 0.707 10 0 ACAEMP CC[C@@H](C(N)=[NH2+])[N@H+](C)C1CCOCC1 43545582 167444507 /nfs/dbraw/zinc/44/45/07/167444507.db2.gz KOKQEOKHAPGKHR-VIFPVBQESA-N 2 1 199.298 0.812 10 0 ACAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](C)C1CCOCC1 43545582 167444509 /nfs/dbraw/zinc/44/45/09/167444509.db2.gz KOKQEOKHAPGKHR-VIFPVBQESA-N 2 1 199.298 0.812 10 0 ACAEMP CC[C@@H](C)C[NH2+]CC[NH3+] 37712654 167453585 /nfs/dbraw/zinc/45/35/85/167453585.db2.gz VZEXFYZRPRDBHM-SSDOTTSWSA-N 2 1 130.235 0.581 10 0 ACAEMP CC[C@@H](C)[N@@H+](C)C[C@H](O)CC[NH3+] 77265620 167461479 /nfs/dbraw/zinc/46/14/79/167461479.db2.gz MIWOWTCZTNQRIK-RKDXNWHRSA-N 2 1 174.288 0.426 10 0 ACAEMP CC[C@@H]([NH3+])Cc1c[nH+]cn1C 44400005 167523870 /nfs/dbraw/zinc/52/38/70/167523870.db2.gz IOTLIUYNZJTWRE-SSDOTTSWSA-N 2 1 153.229 0.700 10 0 ACAEMP C[C@H]1OCC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 134800984 343949696 /nfs/dbraw/zinc/94/96/96/343949696.db2.gz KJRAPFVOGUAXLG-WOOKNIGNSA-N 2 1 184.283 0.585 10 0 ACAEMP CC[C@H](C)C[NH2+]CC[NH3+] 37712655 167601658 /nfs/dbraw/zinc/60/16/58/167601658.db2.gz VZEXFYZRPRDBHM-ZETCQYMHSA-N 2 1 130.235 0.581 10 0 ACAEMP CC[C@H]([NH3+])c1nnc(C2C[NH2+]C2)o1 83340702 167659949 /nfs/dbraw/zinc/65/99/49/167659949.db2.gz KFADPGHNKQOCQE-LURJTMIESA-N 2 1 182.227 0.166 10 0 ACAEMP C[NH+](C)CCC[NH2+]C[C@@H]1CCC[NH2+]C1 41210040 167834120 /nfs/dbraw/zinc/83/41/20/167834120.db2.gz LZURKKBCCXPPHN-LLVKDONJSA-N 3 1 199.342 0.527 10 0 ACAEMP C[NH+](C)CCC[NH2+]C[C@H]1CCC[NH2+]C1 41210042 167834441 /nfs/dbraw/zinc/83/44/41/167834441.db2.gz LZURKKBCCXPPHN-NSHDSACASA-N 3 1 199.342 0.527 10 0 ACAEMP CN(C)CC[N@@H+](C)CCCC[NH3+] 49805141 167834484 /nfs/dbraw/zinc/83/44/84/167834484.db2.gz IKLNBHOSJOUXGQ-UHFFFAOYSA-N 2 1 173.304 0.219 10 0 ACAEMP CN(CCCC[NH3+])CC[NH+](C)C 49805141 167834486 /nfs/dbraw/zinc/83/44/86/167834486.db2.gz IKLNBHOSJOUXGQ-UHFFFAOYSA-N 2 1 173.304 0.219 10 0 ACAEMP C[N@H+]1CCCN(C[C@@H]2CC[NH2+]C2)CC1 51889396 167904587 /nfs/dbraw/zinc/90/45/87/167904587.db2.gz QRHNEHXIRNHFAT-LLVKDONJSA-N 2 1 197.326 0.233 10 0 ACAEMP C[N@H+]1CCCN(C[C@@H]2CCC[NH2+]2)CC1 20217781 167905324 /nfs/dbraw/zinc/90/53/24/167905324.db2.gz SAZAFLDYPPSTKA-NSHDSACASA-N 2 1 197.326 0.376 10 0 ACAEMP C[N@H+]1CCC[C@@H]([C@H]([NH3+])CCO)C1 82867907 167905871 /nfs/dbraw/zinc/90/58/71/167905871.db2.gz KSWSLADFDYTNPK-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H](O)[C@@H]2CC[NH2+]C2)C1 82911568 167907514 /nfs/dbraw/zinc/90/75/14/167907514.db2.gz VATVGVIDLPDOKI-OUAUKWLOSA-N 2 1 198.310 0.299 10 0 ACAEMP C[N@H+]1CC[C@H](O)[C@H](C2CC[NH2+]CC2)C1 82384259 167931480 /nfs/dbraw/zinc/93/14/80/167931480.db2.gz LDYPBZJEBPUBFR-QWRGUYRKSA-N 2 1 198.310 0.299 10 0 ACAEMP CNC(=[NH2+])N[C@H](C[NH+](C)C)C(C)C 52035860 167948167 /nfs/dbraw/zinc/94/81/67/167948167.db2.gz VJQVFZRZXWOOOK-MRVPVSSYSA-N 2 1 186.303 0.316 10 0 ACAEMP C[NH2+]C1CCN(c2[nH+]ccn2C)CC1 50605012 167982331 /nfs/dbraw/zinc/98/23/31/167982331.db2.gz NSKSAAHIEVVBHE-UHFFFAOYSA-N 2 1 194.282 0.608 10 0 ACAEMP C[NH2+]CCN(C)c1[nH+]ccn1C 53663836 167995583 /nfs/dbraw/zinc/99/55/83/167995583.db2.gz WDABAHWYTQKPEH-UHFFFAOYSA-N 2 1 168.244 0.076 10 0 ACAEMP C[NH2+]CCN(C)[C@H]1CCC[N@@H+](C)C1 53245062 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49329679 168165558 /nfs/dbraw/zinc/16/55/58/168165558.db2.gz INMDVWCTXNUHBE-UHFFFAOYSA-N 2 1 183.255 0.428 10 0 ACAEMP COCC[C@@](C)(C[NH3+])[NH+](C)C 45043062 168172886 /nfs/dbraw/zinc/17/28/86/168172886.db2.gz LZIXLOWSOZHONG-QMMMGPOBSA-N 2 1 160.261 0.302 10 0 ACAEMP COCC[C@@](C)(C[NH3+])[N@H+](C)C1CC1 45043175 168173772 /nfs/dbraw/zinc/17/37/72/168173772.db2.gz CROPVTRBFXGTPE-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP COCC[C@@](C)(C[NH3+])[N@@H+](C)C1CC1 45043175 168173774 /nfs/dbraw/zinc/17/37/74/168173774.db2.gz CROPVTRBFXGTPE-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP COCC[C@@H]([NH3+])C[NH+]1CCCCC1 52810594 168173887 /nfs/dbraw/zinc/17/38/87/168173887.db2.gz GDOFBGNNUSTUMG-SNVBAGLBSA-N 2 1 186.299 0.836 10 0 ACAEMP COCC[C@H]([NH3+])C[NH+]1CCCCC1 52810593 168175240 /nfs/dbraw/zinc/17/52/40/168175240.db2.gz GDOFBGNNUSTUMG-JTQLQIEISA-N 2 1 186.299 0.836 10 0 ACAEMP COCC[C@](C)(C[NH3+])[N@H+](C)C1CC1 45043173 168175427 /nfs/dbraw/zinc/17/54/27/168175427.db2.gz 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186.299 0.705 10 0 ACAEMP COC[C@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 49661098 168187377 /nfs/dbraw/zinc/18/73/77/168187377.db2.gz KYGCOHXMQYCXOD-UWVGGRQHSA-N 2 1 186.299 0.705 10 0 ACAEMP COC[C@H](C)[N@@H+]1CCCC[C@@H]1C[NH3+] 53199511 168187398 /nfs/dbraw/zinc/18/73/98/168187398.db2.gz IYCYMFXZXKUYGJ-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP COC[C@H](C)[N@H+]1CCCC[C@@H]1C[NH3+] 53199511 168187401 /nfs/dbraw/zinc/18/74/01/168187401.db2.gz IYCYMFXZXKUYGJ-VHSXEESVSA-N 2 1 186.299 0.835 10 0 ACAEMP COC[C@H](C)[N@@H+](C)C1CC[NH2+]CC1 42518483 168187846 /nfs/dbraw/zinc/18/78/46/168187846.db2.gz SIVSZBRMFLLZGM-VIFPVBQESA-N 2 1 186.299 0.705 10 0 ACAEMP COC[C@H](C)[N@@H+]1CCC[NH2+]CC1 49660554 168188108 /nfs/dbraw/zinc/18/81/08/168188108.db2.gz AUVVXRGZQKVFAQ-VIFPVBQESA-N 2 1 172.272 0.317 10 0 ACAEMP COC[C@H](C)[N@H+]1CCC[NH2+]CC1 49660554 168188109 /nfs/dbraw/zinc/18/81/09/168188109.db2.gz AUVVXRGZQKVFAQ-VIFPVBQESA-N 2 1 172.272 0.317 10 0 ACAEMP COC[C@H](C)C[NH2+][C@H]1CCC[NH2+]C1 45658173 168188169 /nfs/dbraw/zinc/18/81/69/168188169.db2.gz HWFGTIMNZFPKPP-ZJUUUORDSA-N 2 1 186.299 0.611 10 0 ACAEMP COC[C@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 49661093 168188203 /nfs/dbraw/zinc/18/82/03/168188203.db2.gz BHZZKLVSBMPYAI-ZJUUUORDSA-N 2 1 186.299 0.563 10 0 ACAEMP COC[C@H](C)C[NH2+][C@@H]1CCC[NH2+]C1 45658169 168188256 /nfs/dbraw/zinc/18/82/56/168188256.db2.gz HWFGTIMNZFPKPP-NXEZZACHSA-N 2 1 186.299 0.611 10 0 ACAEMP COC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889692 168188321 /nfs/dbraw/zinc/18/83/21/168188321.db2.gz QWZPFIPFBZKQCG-VHSXEESVSA-N 2 1 186.299 0.563 10 0 ACAEMP COC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 42318871 168188497 /nfs/dbraw/zinc/18/84/97/168188497.db2.gz SNQRGLRKLTYZOH-LPEHRKFASA-N 2 1 186.299 0.833 10 0 ACAEMP COC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 42318871 168188501 /nfs/dbraw/zinc/18/85/01/168188501.db2.gz SNQRGLRKLTYZOH-LPEHRKFASA-N 2 1 186.299 0.833 10 0 ACAEMP COC[C@H](C)[N@@H+]1CC[NH2+][C@H](C)CC1 49661096 168188577 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C[C@@H](C[N@@H+](C)C[C@@H]1CCCO1)C(N)=[NH2+] 42464309 168341542 /nfs/dbraw/zinc/34/15/42/168341542.db2.gz AVRIRNQGQVSUEB-IUCAKERBSA-N 2 1 199.298 0.669 10 0 ACAEMP C[C@@H](C[N@@H+](CCO)C1CC1)C(N)=[NH2+] 42479696 168342138 /nfs/dbraw/zinc/34/21/38/168342138.db2.gz NBBGAGZIKGCCIW-ZETCQYMHSA-N 2 1 185.271 0.015 10 0 ACAEMP C[C@@H](C[NH3+])C[N@@H+](C)C1CC1 37080554 168342411 /nfs/dbraw/zinc/34/24/11/168342411.db2.gz WOGXXPZKXWFQSG-ZETCQYMHSA-N 2 1 142.246 0.675 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+]1CCCO[C@H](C)C1 61914807 168342445 /nfs/dbraw/zinc/34/24/45/168342445.db2.gz YTHJRTNXVQUVMA-VHSXEESVSA-N 2 1 186.299 0.692 10 0 ACAEMP C[C@@H](C[NH3+])C[N@@H+]1CCOC[C@H]1C 35774109 168342604 /nfs/dbraw/zinc/34/26/04/168342604.db2.gz GQHCVVNGVHDDSZ-DTWKUNHWSA-N 2 1 172.272 0.302 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+]1CCOC[C@H]1C 35774109 168342606 /nfs/dbraw/zinc/34/26/06/168342606.db2.gz GQHCVVNGVHDDSZ-DTWKUNHWSA-N 2 1 172.272 0.302 10 0 ACAEMP C[C@@H](C[NH3+])[N@H+](CCO)C1CCCC1 43513870 168342726 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0.923 10 0 ACAEMP C[C@@H](C[NH3+])C[N@@H+](CCO)C1CC1 42478707 168343023 /nfs/dbraw/zinc/34/30/23/168343023.db2.gz WTRITVCIUIPFIL-QMMMGPOBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+](C)C1CCN(C)CC1 11822401 168343160 /nfs/dbraw/zinc/34/31/60/168343160.db2.gz WDWDGDOOCUNALE-JTQLQIEISA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCN(C)CC1 11822401 168343162 /nfs/dbraw/zinc/34/31/62/168343162.db2.gz WDWDGDOOCUNALE-JTQLQIEISA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@@H](C[NH3+])CN1CCC[N@@H+](C)CC1 36986771 168343240 /nfs/dbraw/zinc/34/32/40/168343240.db2.gz SIZYCEYKTLFOFU-JTQLQIEISA-N 2 1 185.315 0.219 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+]1CCCO[C@@H](C)C1 61914808 168343280 /nfs/dbraw/zinc/34/32/80/168343280.db2.gz YTHJRTNXVQUVMA-UWVGGRQHSA-N 2 1 186.299 0.692 10 0 ACAEMP C[C@@H](C[NH3+])C[N@@H+](C)CCCCO 43445252 168343344 /nfs/dbraw/zinc/34/33/44/168343344.db2.gz GZUKJKULKVNRMB-VIFPVBQESA-N 2 1 174.288 0.286 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+]1CCC[C@H](O)C1 36128456 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/nfs/dbraw/zinc/21/66/37/169216637.db2.gz FJMQQWJACMPECH-BDAKNGLRSA-N 2 1 186.324 0.773 10 0 ACAEMP [NH3+]C[C@H]1CC[N@H+](C2CCC2)C1 52211009 169216677 /nfs/dbraw/zinc/21/66/77/169216677.db2.gz BUCKOXGQOYUEJT-MRVPVSSYSA-N 2 1 154.257 0.820 10 0 ACAEMP [NH3+]C[C@H]1CC[N@@H+]([C@H]2CCCC2=O)C1 50250475 169216698 /nfs/dbraw/zinc/21/66/98/169216698.db2.gz RHXLVEXQELRVBV-BDAKNGLRSA-N 2 1 182.267 0.389 10 0 ACAEMP [NH3+]C[C@H]1CC[N@H+]([C@H]2CCCC2=O)C1 50250475 169216699 /nfs/dbraw/zinc/21/66/99/169216699.db2.gz RHXLVEXQELRVBV-BDAKNGLRSA-N 2 1 182.267 0.389 10 0 ACAEMP NC(=[NH2+])CCCC[N@@H+](CCO)C1CC1 42479710 169135818 /nfs/dbraw/zinc/13/58/18/169135818.db2.gz UMUXTWIPCXZXCT-UHFFFAOYSA-N 2 1 199.298 0.549 10 0 ACAEMP NC(=[NH2+])CCC[N@@H+](CCO)C1CC1 42479690 169136196 /nfs/dbraw/zinc/13/61/96/169136196.db2.gz VXWWTGYNQYNVQR-UHFFFAOYSA-N 2 1 185.271 0.159 10 0 ACAEMP NC(=[NH2+])CC[N@H+]1CCCC[C@@H]1CCO 19480608 169136219 /nfs/dbraw/zinc/13/62/19/169136219.db2.gz OKHJCHRWTFKAFJ-SECBINFHSA-N 2 1 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LELVGTQSKZJIGK-MNOVXSKESA-N 2 1 198.310 0.836 10 0 ACAEMP [NH3+]C[C@H]1CCCC[C@H]1[NH+]1CCOCC1 37156973 169214876 /nfs/dbraw/zinc/21/48/76/169214876.db2.gz RWRJHGLVBDUGIM-GHMZBOCLSA-N 2 1 198.310 0.836 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@H+](C2CC2)C1 84426863 169214981 /nfs/dbraw/zinc/21/49/81/169214981.db2.gz UDBIFARCNRHTSF-MRVPVSSYSA-N 2 1 154.257 0.820 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@@H+](CCCCO)C1 44531568 169215024 /nfs/dbraw/zinc/21/50/24/169215024.db2.gz IVEVFKWNSOQRTB-SNVBAGLBSA-N 2 1 186.299 0.430 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@@H+](CCCO)C1 44530292 169215333 /nfs/dbraw/zinc/21/53/33/169215333.db2.gz KERSUTOJLARXOA-SECBINFHSA-N 2 1 172.272 0.040 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCO1 19843291 169215411 /nfs/dbraw/zinc/21/54/11/169215411.db2.gz JXNBTZSSWZCRPD-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCO1 19843291 169215412 /nfs/dbraw/zinc/21/54/12/169215412.db2.gz JXNBTZSSWZCRPD-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP 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ACAEMP [NH3+]C[C@H]1CC[N@H+]2CCC[C@@H]2C1 82406861 169216468 /nfs/dbraw/zinc/21/64/68/169216468.db2.gz VIFRYJANRGQZKF-DTWKUNHWSA-N 2 1 154.257 0.820 10 0 ACAEMP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCCC2=O)C1 50250477 169216479 /nfs/dbraw/zinc/21/64/79/169216479.db2.gz RHXLVEXQELRVBV-RKDXNWHRSA-N 2 1 182.267 0.389 10 0 ACAEMP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCCC2=O)C1 50250477 169216481 /nfs/dbraw/zinc/21/64/81/169216481.db2.gz RHXLVEXQELRVBV-RKDXNWHRSA-N 2 1 182.267 0.389 10 0 ACAEMP NC[C@@H]([NH3+])c1ccc(C[NH3+])c(F)c1 72200195 169223391 /nfs/dbraw/zinc/22/33/91/169223391.db2.gz PKELQULWNKSJLB-SECBINFHSA-N 2 1 183.230 0.243 10 0 ACAEMP NC[C@H]([NH3+])c1ccc(C[NH3+])c(F)c1 72200196 169223504 /nfs/dbraw/zinc/22/35/04/169223504.db2.gz PKELQULWNKSJLB-VIFPVBQESA-N 2 1 183.230 0.243 10 0 ACAEMP NNc1[nH+]nc(C[NH3+])c2ccccc12 36139218 169232070 /nfs/dbraw/zinc/23/20/70/169232070.db2.gz ZSUAVSXDBZQPNT-UHFFFAOYSA-N 2 1 189.222 0.374 10 0 ACAEMP [NH3+][C@@H]1CC2CC[NH+]1CC2 58826471 169250669 /nfs/dbraw/zinc/25/06/69/169250669.db2.gz IGNPOXGBNFMJHE-ZETCQYMHSA-N 2 1 126.203 0.387 10 0 ACAEMP [NH3+][C@@H]1CCC[N@@H+](C2CC2)C1 70584366 169251468 /nfs/dbraw/zinc/25/14/68/169251468.db2.gz NDISUUBHSUMXEW-SSDOTTSWSA-N 2 1 140.230 0.572 10 0 ACAEMP [NH3+][C@@H]1CCC[N@H+](C2CC2)C1 70584366 169251469 /nfs/dbraw/zinc/25/14/69/169251469.db2.gz NDISUUBHSUMXEW-SSDOTTSWSA-N 2 1 140.230 0.572 10 0 ACAEMP [NH3+][C@@H]1CCCC[C@@H]1[NH+]1CCC(O)CC1 40988807 169251730 /nfs/dbraw/zinc/25/17/30/169251730.db2.gz FJJBLRPUAIHWJV-MNOVXSKESA-N 2 1 198.310 0.713 10 0 ACAEMP [NH3+][C@@H]1CCCC[C@H]1[N@H+](CCO)C1CC1 42480554 169251806 /nfs/dbraw/zinc/25/18/06/169251806.db2.gz BYNDIERKJHRIRG-GHMZBOCLSA-N 2 1 198.310 0.713 10 0 ACAEMP [NH3+][C@@H]1CCCC[C@H]1[N@@H+](CCO)C1CC1 42480554 169251808 /nfs/dbraw/zinc/25/18/08/169251808.db2.gz BYNDIERKJHRIRG-GHMZBOCLSA-N 2 1 198.310 0.713 10 0 ACAEMP [NH3+][C@@H]1CCCC[C@@H]1[N@H+]1CCC[C@@H]1CO 42433451 169251849 /nfs/dbraw/zinc/25/18/49/169251849.db2.gz QDIDDLKIZILDDK-MXWKQRLJSA-N 2 1 198.310 0.713 10 0 ACAEMP [NH3+][C@@H]1CCC[N@H+]2CCC[C@@H]12 82410164 169252001 /nfs/dbraw/zinc/25/20/01/169252001.db2.gz SHXUPEAVNUWGDU-SFYZADRCSA-N 2 1 140.230 0.572 10 0 ACAEMP [NH3+][C@@H]1CCCC[C@H]1[NH+]1CCC(O)CC1 40988810 169252015 /nfs/dbraw/zinc/25/20/15/169252015.db2.gz FJJBLRPUAIHWJV-GHMZBOCLSA-N 2 1 198.310 0.713 10 0 ACAEMP [NH3+][C@@H]1CCC[N@H+]2CCC[C@H]12 82410166 169252023 /nfs/dbraw/zinc/25/20/23/169252023.db2.gz SHXUPEAVNUWGDU-HTQZYQBOSA-N 2 1 140.230 0.572 10 0 ACAEMP [NH3+][C@@H]1CCCC[C@H]1[N@@H+]1CCCOCC1 61917674 169252028 /nfs/dbraw/zinc/25/20/28/169252028.db2.gz AKDFCQKWYMDBHV-GHMZBOCLSA-N 2 1 198.310 0.979 10 0 ACAEMP [NH3+][C@@H]1CCCC[C@H]1[N@H+]1CCCOCC1 61917674 169252029 /nfs/dbraw/zinc/25/20/29/169252029.db2.gz AKDFCQKWYMDBHV-GHMZBOCLSA-N 2 1 198.310 0.979 10 0 ACAEMP [NH3+][C@@H]1CCCC[C@H]1C[NH+]1CCOCC1 26443126 169252103 /nfs/dbraw/zinc/25/21/03/169252103.db2.gz KOFAVVAFZADWKE-WDEREUQCSA-N 2 1 198.310 0.836 10 0 ACAEMP 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/nfs/dbraw/zinc/63/91/83/344639183.db2.gz TWHYVCHXANYXTM-UHFFFAOYSA-N 2 1 198.310 0.848 10 0 ACAEMP CCC[C@]1(C[NH3+])CCC[NH2+]1 233369703 344701678 /nfs/dbraw/zinc/70/16/78/344701678.db2.gz QFQWMHWTAWDTOA-MRVPVSSYSA-N 2 1 142.246 0.867 10 0 ACAEMP CC[C@H]1C[N@@H+](C)CCCN1C(N)=[NH2+] 234062480 344711473 /nfs/dbraw/zinc/71/14/73/344711473.db2.gz ZQRXCTJJFBULIR-QMMMGPOBSA-N 2 1 184.287 0.296 10 0 ACAEMP CC[C@H]1C[N@@H+](C)CCCN1C[C@H](C)[NH3+] 234091429 344712643 /nfs/dbraw/zinc/71/26/43/344712643.db2.gz SAGNJETVKJTJNY-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP CN(c1[nH]cc[nH+]1)[C@H]1CCC[NH2+]C1 234329693 344717356 /nfs/dbraw/zinc/71/73/56/344717356.db2.gz WKNMGNXYKUBTDM-QMMMGPOBSA-N 2 1 180.255 0.598 10 0 ACAEMP CN(c1[nH]cc[nH+]1)[C@@H]1CC[NH2+]C1 234326124 344717561 /nfs/dbraw/zinc/71/75/61/344717561.db2.gz OWFLVDYXFOWYMD-SSDOTTSWSA-N 2 1 166.228 0.208 10 0 ACAEMP Cc1c[nH]c(N(C)[C@H]2CC[NH2+]C2)[nH+]1 234311680 344717565 /nfs/dbraw/zinc/71/75/65/344717565.db2.gz 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0.848 10 0 ACAEMP COC1CC([N@H+]2CC[NH2+][C@H](C)CC2)C1 234613595 344724098 /nfs/dbraw/zinc/72/40/98/344724098.db2.gz WXIYFMUTTZZQGG-KPPDAEKUSA-N 2 1 198.310 0.848 10 0 ACAEMP COC1CC([N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1 234615691 344724104 /nfs/dbraw/zinc/72/41/04/344724104.db2.gz LMXQRRRTOSEZPZ-IDWGSYCQSA-N 2 1 198.310 0.833 10 0 ACAEMP COC1CC([N@@H+]2CCC[C@@H]2C[NH3+])C1 234611009 344724111 /nfs/dbraw/zinc/72/41/11/344724111.db2.gz WZDYGFXCBAZFDS-XNWIYYODSA-N 2 1 184.283 0.587 10 0 ACAEMP COC1CC([N@H+]2CCC[C@@H]2C[NH3+])C1 234611009 344724112 /nfs/dbraw/zinc/72/41/12/344724112.db2.gz WZDYGFXCBAZFDS-XNWIYYODSA-N 2 1 184.283 0.587 10 0 ACAEMP COC1CC([N@@H+]2CCC[C@@H]([NH3+])C2)C1 234610587 344724138 /nfs/dbraw/zinc/72/41/38/344724138.db2.gz UFONYJPNENIWIL-XNWIYYODSA-N 2 1 184.283 0.587 10 0 ACAEMP COC1CC([N@H+]2CCC[C@@H]([NH3+])C2)C1 234610587 344724139 /nfs/dbraw/zinc/72/41/39/344724139.db2.gz UFONYJPNENIWIL-XNWIYYODSA-N 2 1 184.283 0.587 10 0 ACAEMP COC1CC([N@@H+]2CC[C@H](C)[C@@H]([NH3+])C2)C1 234616517 344724144 /nfs/dbraw/zinc/72/41/44/344724144.db2.gz GYVBMJOZTVSIHF-PMUOWJKOSA-N 2 1 198.310 0.833 10 0 ACAEMP COC1CC([N@H+]2CC[C@H](C)[C@@H]([NH3+])C2)C1 234616517 344724145 /nfs/dbraw/zinc/72/41/45/344724145.db2.gz GYVBMJOZTVSIHF-PMUOWJKOSA-N 2 1 198.310 0.833 10 0 ACAEMP COC1CC([N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 234616946 344724150 /nfs/dbraw/zinc/72/41/50/344724150.db2.gz LMXQRRRTOSEZPZ-PMUOWJKOSA-N 2 1 198.310 0.833 10 0 ACAEMP COC1CC([N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)C1 234618239 344724183 /nfs/dbraw/zinc/72/41/83/344724183.db2.gz IVKYDXWALOBPDK-WOOKNIGNSA-N 2 1 184.283 0.443 10 0 ACAEMP COC1CC([N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)C1 234618239 344724184 /nfs/dbraw/zinc/72/41/84/344724184.db2.gz IVKYDXWALOBPDK-WOOKNIGNSA-N 2 1 184.283 0.443 10 0 ACAEMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1 234805012 344728382 /nfs/dbraw/zinc/72/83/82/344728382.db2.gz NIOKNSWZWGJMNN-HBNTYKKESA-N 2 1 198.310 0.835 10 0 ACAEMP COC1CC(C[NH3+])([N@@H+]2CCC[C@@H]2C)C1 234593892 344723316 /nfs/dbraw/zinc/72/33/16/344723316.db2.gz ALJIZCPWLFWSBE-WHXUTIOJSA-N 2 1 198.310 0.977 10 0 ACAEMP CO[C@@H]1CC[N@@H+](C2(C[NH3+])CC(C)C2)C1 234846485 344729217 /nfs/dbraw/zinc/72/92/17/344729217.db2.gz VCYIVXAJEJZFGB-HSOILSAZSA-N 2 1 198.310 0.835 10 0 ACAEMP CO[C@@H]1CC[N@H+](C2(C[NH3+])CC(C)C2)C1 234846485 344729219 /nfs/dbraw/zinc/72/92/19/344729219.db2.gz VCYIVXAJEJZFGB-HSOILSAZSA-N 2 1 198.310 0.835 10 0 ACAEMP CO[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]2)C1 234882660 344730410 /nfs/dbraw/zinc/73/04/10/344730410.db2.gz ODMOIMIHFXWLFC-WDEREUQCSA-N 2 1 198.310 0.849 10 0 ACAEMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1 234915793 344730746 /nfs/dbraw/zinc/73/07/46/344730746.db2.gz NIOKNSWZWGJMNN-GARJFASQSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCOC1 235147925 344734549 /nfs/dbraw/zinc/73/45/49/344734549.db2.gz NGNHXAXIZBMYMG-JGVFFNPUSA-N 2 1 158.245 0.102 10 0 ACAEMP C[C@@H]1SCC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 235302918 344742197 /nfs/dbraw/zinc/74/21/97/344742197.db2.gz RYGXKNRICWMDSY-YIZRAAEISA-N 2 1 186.324 0.913 10 0 ACAEMP C[C@@H]1SCC[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 235302918 344742198 /nfs/dbraw/zinc/74/21/98/344742198.db2.gz RYGXKNRICWMDSY-YIZRAAEISA-N 2 1 186.324 0.913 10 0 ACAEMP C[C@@H]1CN(c2[nH]cc[nH+]2)C[C@@H]1[NH3+] 235328810 344743809 /nfs/dbraw/zinc/74/38/09/344743809.db2.gz SSGQBTDKPSDTBJ-RQJHMYQMSA-N 2 1 166.228 0.193 10 0 ACAEMP C[C@@H]1C[N@@H+]([C@@H]2CCO[C@@H]2C)C[C@@H]1[NH3+] 235349097 344744998 /nfs/dbraw/zinc/74/49/98/344744998.db2.gz UXPYEHHJAJMDJT-DOLQZWNJSA-N 2 1 184.283 0.443 10 0 ACAEMP C[C@@H]1C[N@H+]([C@@H]2CCO[C@@H]2C)C[C@@H]1[NH3+] 235349097 344744999 /nfs/dbraw/zinc/74/49/99/344744999.db2.gz UXPYEHHJAJMDJT-DOLQZWNJSA-N 2 1 184.283 0.443 10 0 ACAEMP C[C@@H]1CC[N@H+](C2(C[NH3+])CC2)C1 235352685 344745479 /nfs/dbraw/zinc/74/54/79/344745479.db2.gz IRVBBRUAAFDJDG-MRVPVSSYSA-N 2 1 154.257 0.820 10 0 ACAEMP C[C@@H]1C[N@H+]([C@H](C)[C@@H]2CCOC2)C[C@@H]1[NH3+] 235355896 344745517 /nfs/dbraw/zinc/74/55/17/344745517.db2.gz ITVRHGLTLNMYGX-DBIOUOCHSA-N 2 1 198.310 0.690 10 0 ACAEMP C[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1[NH3+] 235355613 344745527 /nfs/dbraw/zinc/74/55/27/344745527.db2.gz DNEUKUDICURRHM-APPZFPTMSA-N 2 1 154.257 0.675 10 0 ACAEMP C[C@@H]1CN(C)CCC[N@@H+]1C/C=C/C[NH3+] 235360371 344746463 /nfs/dbraw/zinc/74/64/63/344746463.db2.gz XMVGTTZTAOVAOU-PGLGOXFNSA-N 2 1 197.326 0.527 10 0 ACAEMP C[C@@H]1OCC[C@@]1(C)[N@H+]1CC[C@@H]([NH3+])C1 235392088 344747286 /nfs/dbraw/zinc/74/72/86/344747286.db2.gz BDYHFKCVLNOUHV-IVZWLZJFSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]C1CCSCC1 235449063 344750108 /nfs/dbraw/zinc/75/01/08/344750108.db2.gz YAQICHCSUOWVTF-SSDOTTSWSA-N 2 1 174.313 0.819 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCOC1 235460204 344750435 /nfs/dbraw/zinc/75/04/35/344750435.db2.gz NGNHXAXIZBMYMG-HTQZYQBOSA-N 2 1 158.245 0.102 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCCC[C@@H]1O 235460075 344750458 /nfs/dbraw/zinc/75/04/58/344750458.db2.gz JUQUTPHYLGDCQC-BBBLOLIVSA-N 2 1 186.299 0.617 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@@H]1CCSC1 235460611 344750471 /nfs/dbraw/zinc/75/04/71/344750471.db2.gz KAYBELRFCSEKLL-RNFRBKRXSA-N 2 1 160.286 0.429 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@H]1CCCCC[C@@H]1O 235463232 344750513 /nfs/dbraw/zinc/75/05/13/344750513.db2.gz JUQUTPHYLGDCQC-UTLUCORTSA-N 2 1 186.299 0.617 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCN1C1CC([NH3+])C1 235466350 344751012 /nfs/dbraw/zinc/75/10/12/344751012.db2.gz DNEPXMGPHJGZRY-XNWIYYODSA-N 2 1 183.299 0.112 10 0 ACAEMP C[C@H]1CN(C)CC[N@@H+]1[C@H](C)[C@H](C)C[NH3+] 235487568 344751559 /nfs/dbraw/zinc/75/15/59/344751559.db2.gz SNJFIKRXZCAPRQ-OUAUKWLOSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1[C@H](C)[C@H](C)C[NH3+] 235487568 344751560 /nfs/dbraw/zinc/75/15/60/344751560.db2.gz SNJFIKRXZCAPRQ-OUAUKWLOSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]1C[N@H+](C)CCN1[C@H](C)[C@H](C)C[NH3+] 235487568 344751561 /nfs/dbraw/zinc/75/15/61/344751561.db2.gz SNJFIKRXZCAPRQ-OUAUKWLOSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)N1CC[N@@H+](C)C[C@@H]1C 235492347 344751568 /nfs/dbraw/zinc/75/15/68/344751568.db2.gz WUUXYLWAUOQCOY-GUBZILKMSA-N 2 1 185.315 0.358 10 0 ACAEMP C[C@H]1SCC[C@@H]1[N@H+](C)CC[NH3+] 235597432 344758286 /nfs/dbraw/zinc/75/82/86/344758286.db2.gz JWPQHFRFGCROIB-SFYZADRCSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@H]1SCC[C@@H]1[N@@H+](C)CC[NH3+] 235597432 344758287 /nfs/dbraw/zinc/75/82/87/344758287.db2.gz JWPQHFRFGCROIB-SFYZADRCSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCCN1CC(C)(C)[NH3+] 235613396 344759657 /nfs/dbraw/zinc/75/96/57/344759657.db2.gz DTVGOLLXBDNNOY-JTQLQIEISA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H]1SCC[C@H]1[N@H+](C)CC[NH3+] 235645531 344761639 /nfs/dbraw/zinc/76/16/39/344761639.db2.gz JWPQHFRFGCROIB-HTQZYQBOSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@H]1SCC[C@H]1[N@@H+](C)CC[NH3+] 235645531 344761641 /nfs/dbraw/zinc/76/16/41/344761641.db2.gz JWPQHFRFGCROIB-HTQZYQBOSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@H]1SCC[C@]1(C[NH3+])[NH+](C)C 235662835 344762143 /nfs/dbraw/zinc/76/21/43/344762143.db2.gz ASIDHNPEPWOOBZ-HTQZYQBOSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@H]1C[N@H+](C)CCCN1[C@H](C)CC[NH3+] 235437407 344750023 /nfs/dbraw/zinc/75/00/23/344750023.db2.gz HLXPRHONHVUGPJ-MNOVXSKESA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H]1C[N@H+](C)CCCN1[C@@H](C)C(N)=[NH2+] 235666997 344762152 /nfs/dbraw/zinc/76/21/52/344762152.db2.gz LDOXLOWPQPMGMH-IUCAKERBSA-N 2 1 198.314 0.337 10 0 ACAEMP C[C@H]1CN(c2[nH]cc[nH+]2)C[C@@H]1[NH3+] 235661244 344762350 /nfs/dbraw/zinc/76/23/50/344762350.db2.gz SSGQBTDKPSDTBJ-BQBZGAKWSA-N 2 1 166.228 0.193 10 0 ACAEMP Cc1c[nH]c(N2C[C@H](C)[NH2+][C@@H](C)C2)[nH+]1 235701480 344763504 /nfs/dbraw/zinc/76/35/04/344763504.db2.gz ATIWWOZENNYDMP-IUCAKERBSA-N 2 1 194.282 0.905 10 0 ACAEMP C[C@]1([N@@H+]2CC[C@@H]([NH3+])C2)CCCOC1 235751823 344765722 /nfs/dbraw/zinc/76/57/22/344765722.db2.gz XXFDHLBTUQXWRA-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@]1([N@H+]2CC[C@@H]([NH3+])C2)CCCOC1 235751823 344765723 /nfs/dbraw/zinc/76/57/23/344765723.db2.gz XXFDHLBTUQXWRA-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@]1(O)CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 235769465 344766037 /nfs/dbraw/zinc/76/60/37/344766037.db2.gz CHAWWSBPDNZMII-ZJUUUORDSA-N 2 1 184.283 0.195 10 0 ACAEMP C[C@]1(O)CC[N@H+]([C@@H]2CCC[NH2+]C2)C1 235769465 344766038 /nfs/dbraw/zinc/76/60/38/344766038.db2.gz CHAWWSBPDNZMII-ZJUUUORDSA-N 2 1 184.283 0.195 10 0 ACAEMP C[C@]1(O)CC[N@H+]([C@@H]2CC[C@@H]([NH3+])C2)C1 235769734 344766103 /nfs/dbraw/zinc/76/61/03/344766103.db2.gz YHOIZEBCQVKGLN-BBBLOLIVSA-N 2 1 184.283 0.323 10 0 ACAEMP Cc1c[nH]c(N2CC[C@H]([NH3+])C2)[nH+]1 235846607 344768897 /nfs/dbraw/zinc/76/88/97/344768897.db2.gz GQSLDGOTSCXCAO-ZETCQYMHSA-N 2 1 166.228 0.256 10 0 ACAEMP Cc1c[nH]c(N2CCC[C@@H](C[NH3+])C2)[nH+]1 235846154 344768903 /nfs/dbraw/zinc/76/89/03/344768903.db2.gz AWOYHHAXBISVNS-VIFPVBQESA-N 2 1 194.282 0.893 10 0 ACAEMP Cc1c[nH]c(N2CC[C@H](C[NH3+])C2)[nH+]1 235846570 344768908 /nfs/dbraw/zinc/76/89/08/344768908.db2.gz HPEXAPKNLTVYHD-MRVPVSSYSA-N 2 1 180.255 0.503 10 0 ACAEMP Cc1c[nH]c(N2CCC[C@H](C[NH3+])C2)[nH+]1 235846288 344768915 /nfs/dbraw/zinc/76/89/15/344768915.db2.gz AWOYHHAXBISVNS-SECBINFHSA-N 2 1 194.282 0.893 10 0 ACAEMP Cc1c[nH]c(N2CCC([NH3+])CC2)[nH+]1 235845937 344768921 /nfs/dbraw/zinc/76/89/21/344768921.db2.gz VLRCJJRQHHKVQG-UHFFFAOYSA-N 2 1 180.255 0.646 10 0 ACAEMP Cc1c[nH]c(N2CCC[C@H]([NH3+])C2)[nH+]1 235846325 344768952 /nfs/dbraw/zinc/76/89/52/344768952.db2.gz RCPXFSWYUGLFBE-QMMMGPOBSA-N 2 1 180.255 0.646 10 0 ACAEMP Cc1c[nH]c(N2CCC[C@@H]2C[NH3+])[nH+]1 235846256 344768957 /nfs/dbraw/zinc/76/89/57/344768957.db2.gz BNSYWALXGSSROU-MRVPVSSYSA-N 2 1 180.255 0.646 10 0 ACAEMP Cc1cn(C)c(N2CC[C@H]([NH3+])C2)[nH+]1 235937046 344770038 /nfs/dbraw/zinc/77/00/38/344770038.db2.gz INTHTFGVTDNRDV-QMMMGPOBSA-N 2 1 180.255 0.266 10 0 ACAEMP CC[N@@H+](C)C[C@]1(O)CCC[NH2+]C1 238238206 344796667 /nfs/dbraw/zinc/79/66/67/344796667.db2.gz VMFZOOUQWPJAAE-VIFPVBQESA-N 2 1 172.272 0.053 10 0 ACAEMP C[NH2+]CCN1CCC[N@H+]2CCC[C@H]2C1 249848386 344827742 /nfs/dbraw/zinc/82/77/42/344827742.db2.gz HCSXFQSORMBSQI-NSHDSACASA-N 2 1 197.326 0.376 10 0 ACAEMP CCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 250072564 344829288 /nfs/dbraw/zinc/82/92/88/344829288.db2.gz ZGTXLPWOOSVEHG-KXUCPTDWSA-N 2 1 168.284 0.936 10 0 ACAEMP CC[N@@H+](C)[C@@H]1CC[C@H]1C[NH3+] 250100692 344829979 /nfs/dbraw/zinc/82/99/79/344829979.db2.gz YYJJDMINFJXHDA-JGVFFNPUSA-N 2 1 142.246 0.675 10 0 ACAEMP COCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 250163298 344830533 /nfs/dbraw/zinc/83/05/33/344830533.db2.gz GBRWLNGNOWFRBD-QWRGUYRKSA-N 2 1 198.310 0.707 10 0 ACAEMP CC[N@H+]1C[C@@H]2C[NH2+]C[C@H]2C1(C)C 250255389 344831070 /nfs/dbraw/zinc/83/10/70/344831070.db2.gz JANWFBSAUNNVPZ-DTWKUNHWSA-N 2 1 168.284 0.936 10 0 ACAEMP CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1(C)C 250255392 344831102 /nfs/dbraw/zinc/83/11/02/344831102.db2.gz JANWFBSAUNNVPZ-RKDXNWHRSA-N 2 1 168.284 0.936 10 0 ACAEMP CC[N@H+]1CCC[C@H]([NH3+])[C@H]1C 250257210 344831106 /nfs/dbraw/zinc/83/11/06/344831106.db2.gz JGPFTENBHPLVNZ-SFYZADRCSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[N@H+]1CC[C@H]([NH3+])[C@H]1C 250338822 344831659 /nfs/dbraw/zinc/83/16/59/344831659.db2.gz PMPBBHCJSGMDDC-RQJHMYQMSA-N 2 1 128.219 0.428 10 0 ACAEMP CC[N@H+]1CCN(CC(C)(C)[NH3+])C[C@H]1C 250260732 344831698 /nfs/dbraw/zinc/83/16/98/344831698.db2.gz JSUHUFFUDVLZEJ-SNVBAGLBSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[N@H+]1CCN([C@H](C)C(N)=[NH2+])C[C@@H]1C 250342294 344831732 /nfs/dbraw/zinc/83/17/32/344831732.db2.gz PXRAJGWJCFQLNX-DTWKUNHWSA-N 2 1 198.314 0.337 10 0 ACAEMP CC[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 250314875 344831746 /nfs/dbraw/zinc/83/17/46/344831746.db2.gz MISIOWVQOKRPQS-CIUDSAMLSA-N 2 1 154.257 0.546 10 0 ACAEMP C[N@H+](C[C@@H]1CCCO1)[C@H]1CCC[C@@H]1[NH3+] 250350956 344832316 /nfs/dbraw/zinc/83/23/16/344832316.db2.gz AKVTYURNNNILEO-DCAQKATOSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCC[C@@H]1[NH3+] 250350956 344832317 /nfs/dbraw/zinc/83/23/17/344832317.db2.gz AKVTYURNNNILEO-DCAQKATOSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@H+](CC1CCC1)[C@H]1COCC[C@H]1[NH3+] 250354348 344832319 /nfs/dbraw/zinc/83/23/19/344832319.db2.gz BJBAYSMHNXIKNX-MNOVXSKESA-N 2 1 198.310 0.835 10 0 ACAEMP C[N@@H+](CC1CCC1)[C@H]1COCC[C@H]1[NH3+] 250354348 344832320 /nfs/dbraw/zinc/83/23/20/344832320.db2.gz BJBAYSMHNXIKNX-MNOVXSKESA-N 2 1 198.310 0.835 10 0 ACAEMP C[N@H+](CC1CCC1)[C@@H]1COCC[C@H]1[NH3+] 250354347 344832333 /nfs/dbraw/zinc/83/23/33/344832333.db2.gz BJBAYSMHNXIKNX-GHMZBOCLSA-N 2 1 198.310 0.835 10 0 ACAEMP C[N@@H+](CC1CCC1)[C@@H]1COCC[C@H]1[NH3+] 250354347 344832334 /nfs/dbraw/zinc/83/23/34/344832334.db2.gz BJBAYSMHNXIKNX-GHMZBOCLSA-N 2 1 198.310 0.835 10 0 ACAEMP C[N@H+](C1CCCC1)[C@H]1COCC[C@H]1[NH3+] 250356448 344832342 /nfs/dbraw/zinc/83/23/42/344832342.db2.gz BZALRPOZMGGPNB-MNOVXSKESA-N 2 1 198.310 0.977 10 0 ACAEMP CC(C)[N@H+](C)C[C@]1(C)COC[C@H]1[NH3+] 250492340 344834663 /nfs/dbraw/zinc/83/46/63/344834663.db2.gz HORKCFBXOSZCAB-NXEZZACHSA-N 2 1 186.299 0.690 10 0 ACAEMP CC(C)[N@@H+](C)C[C@]1(C)COC[C@H]1[NH3+] 250492340 344834664 /nfs/dbraw/zinc/83/46/64/344834664.db2.gz HORKCFBXOSZCAB-NXEZZACHSA-N 2 1 186.299 0.690 10 0 ACAEMP C[N@@H+](C1CCCC1)[C@H]1COCC[C@H]1[NH3+] 250356448 344832343 /nfs/dbraw/zinc/83/23/43/344832343.db2.gz BZALRPOZMGGPNB-MNOVXSKESA-N 2 1 198.310 0.977 10 0 ACAEMP CC[N@H+]1CCN([C@@H](C)C[NH3+])C[C@H]1C 250355486 344832356 /nfs/dbraw/zinc/83/23/56/344832356.db2.gz SBDSGGSZLXFWHX-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP CN(C)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]2C[NH3+])C1 250365553 344832862 /nfs/dbraw/zinc/83/28/62/344832862.db2.gz XONQMTQMSIMQTC-HBNTYKKESA-N 2 1 197.326 0.360 10 0 ACAEMP CN(C)[C@@H]1CC[N@H+]([C@@H]2CC[C@H]2C[NH3+])C1 250365553 344832863 /nfs/dbraw/zinc/83/28/63/344832863.db2.gz XONQMTQMSIMQTC-HBNTYKKESA-N 2 1 197.326 0.360 10 0 ACAEMP C[N@H+]([C@@H]1CCOC1)[C@@H]1CCCC[C@H]1[NH3+] 250372553 344832892 /nfs/dbraw/zinc/83/28/92/344832892.db2.gz HOJZKRXOQWZIAC-GMTAPVOTSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+]([C@@H]1CCOC1)[C@@H]1CCCC[C@H]1[NH3+] 250372553 344832893 /nfs/dbraw/zinc/83/28/93/344832893.db2.gz HOJZKRXOQWZIAC-GMTAPVOTSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+](C[C@@H]1C=C[C@H]([NH3+])C1)[C@H]1CCOC1 250404649 344833452 /nfs/dbraw/zinc/83/34/52/344833452.db2.gz MUWOYBWJDWGLAK-VWYCJHECSA-N 2 1 196.294 0.611 10 0 ACAEMP C[N@H+](C1CC[NH2+]CC1)[C@H]1CCC[C@H]1O 250443685 344833954 /nfs/dbraw/zinc/83/39/54/344833954.db2.gz UJOBGCWONLLOEW-WDEREUQCSA-N 2 1 198.310 0.584 10 0 ACAEMP C[N@@H+](C[C@H]1COC[C@H]1[NH3+])C1CCCC1 250454963 344833973 /nfs/dbraw/zinc/83/39/73/344833973.db2.gz WINOIJBOHDGNGK-GXSJLCMTSA-N 2 1 198.310 0.835 10 0 ACAEMP C[N@H+]([C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCOC1 250415140 344833990 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/nfs/dbraw/zinc/74/24/15/343742415.db2.gz BDWHDPXEIYMUSL-QMMMGPOBSA-N 2 1 174.313 0.773 10 0 ACAEMP [NH3+]C[C@H]1CCCN(c2[nH]cc[nH+]2)C1 107127721 343742505 /nfs/dbraw/zinc/74/25/05/343742505.db2.gz SJQAUGZEIPVLIY-MRVPVSSYSA-N 2 1 180.255 0.585 10 0 ACAEMP C1CC(C[N@@H+]2C[C@H]3C[C@H]3C2)CC[NH2+]1 107127787 343742635 /nfs/dbraw/zinc/74/26/35/343742635.db2.gz QRGNQUHQFPHWDL-PHIMTYICSA-N 2 1 180.295 0.938 10 0 ACAEMP C1C[NH2+]C[C@@H](C[N@@H+]2C[C@H]3C[C@H]3C2)C1 107127778 343742743 /nfs/dbraw/zinc/74/27/43/343742743.db2.gz IKMSQRXAIFYMOY-GARJFASQSA-N 2 1 180.295 0.938 10 0 ACAEMP CC(C)(C[NH3+])[N@H+]1CCCC[C@@H]1CO 107132261 343743147 /nfs/dbraw/zinc/74/31/47/343743147.db2.gz NUBUMLOQWZVEEY-SECBINFHSA-N 2 1 186.299 0.571 10 0 ACAEMP CC(C)(C[NH3+])[N@H+]1CCCC[C@H]1CO 107132264 343743184 /nfs/dbraw/zinc/74/31/84/343743184.db2.gz NUBUMLOQWZVEEY-VIFPVBQESA-N 2 1 186.299 0.571 10 0 ACAEMP CO[C@]1(C[NH3+])CCC[N@@H+](C)C1 107159225 343744827 /nfs/dbraw/zinc/74/48/27/343744827.db2.gz NNHIZXBMQLRLHZ-QMMMGPOBSA-N 2 1 158.245 0.056 10 0 ACAEMP CO[C@@]1(C[NH3+])CCC[N@@H+](C)C1 107159228 343745145 /nfs/dbraw/zinc/74/51/45/343745145.db2.gz NNHIZXBMQLRLHZ-MRVPVSSYSA-N 2 1 158.245 0.056 10 0 ACAEMP C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 107172356 343746541 /nfs/dbraw/zinc/74/65/41/343746541.db2.gz GBNCZHMWPNCRLM-JTQLQIEISA-N 2 1 184.283 0.147 10 0 ACAEMP C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 107172356 343746544 /nfs/dbraw/zinc/74/65/44/343746544.db2.gz GBNCZHMWPNCRLM-JTQLQIEISA-N 2 1 184.283 0.147 10 0 ACAEMP C[N@H+]1CCOc2ccc(C[NH3+])cc2C1 107179456 343746927 /nfs/dbraw/zinc/74/69/27/343746927.db2.gz MHPSUDXNRNHFCK-UHFFFAOYSA-N 2 1 192.262 0.970 10 0 ACAEMP C[NH2+]C[C@@H]1CC[N@H+]2CCC[C@H]12 107398801 343749567 /nfs/dbraw/zinc/74/95/67/343749567.db2.gz KFIIDZHVIBDYCT-DTWKUNHWSA-N 2 1 154.257 0.690 10 0 ACAEMP C[NH2+]C[C@H]1CC[N@H+]2CCC[C@H]12 107398804 343749867 /nfs/dbraw/zinc/74/98/67/343749867.db2.gz KFIIDZHVIBDYCT-RKDXNWHRSA-N 2 1 154.257 0.690 10 0 ACAEMP C[C@H]1C[N@@H+](CCC[NH3+])CCS1 123261017 343782607 /nfs/dbraw/zinc/78/26/07/343782607.db2.gz UVOPBUVTZSYQSS-QMMMGPOBSA-N 2 1 174.313 0.773 10 0 ACAEMP Cn1cc[nH+]c1CC[C@H]1CC[NH2+]C1 126760942 343796821 /nfs/dbraw/zinc/79/68/21/343796821.db2.gz DJEDPMQIVUOFKI-VIFPVBQESA-N 2 1 179.267 0.962 10 0 ACAEMP Cn1cc[nH+]c1CC[C@@H]1CC[NH2+]C1 126760665 343796839 /nfs/dbraw/zinc/79/68/39/343796839.db2.gz DJEDPMQIVUOFKI-SECBINFHSA-N 2 1 179.267 0.962 10 0 ACAEMP C[C@@H]1C[N@@H+](CCC[NH3+])CC[C@@H]1O 126793600 343797036 /nfs/dbraw/zinc/79/70/36/343797036.db2.gz HDDRCXCXWJBWNO-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H](C[NH3+])[N@@H+]1CC[C@H](O)[C@H](C)C1 126792176 343797180 /nfs/dbraw/zinc/79/71/80/343797180.db2.gz SDROJRKGJYPSSZ-VGMNWLOBSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@@H](C[NH3+])[N@H+]1CC[C@H](O)[C@H](C)C1 126792176 343797183 /nfs/dbraw/zinc/79/71/83/343797183.db2.gz SDROJRKGJYPSSZ-VGMNWLOBSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H]1C[N@@H+](CCC[NH3+])CC[C@@H]1O 126793823 343797204 /nfs/dbraw/zinc/79/72/04/343797204.db2.gz HDDRCXCXWJBWNO-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H]1C[C@](C[NH3+])(N2CCCC2)C[N@H+]1C 126833374 343797861 /nfs/dbraw/zinc/79/78/61/343797861.db2.gz JJKNUELQKBHGBB-GHMZBOCLSA-N 2 1 197.326 0.504 10 0 ACAEMP C[C@H]1C[C@](C[NH3+])(N2CCCC2)C[N@H+]1C 126833592 343797918 /nfs/dbraw/zinc/79/79/18/343797918.db2.gz JJKNUELQKBHGBB-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP C[C@H]1C[C@@](C[NH3+])(N2CCCC2)C[N@H+]1C 126833176 343798024 /nfs/dbraw/zinc/79/80/24/343798024.db2.gz JJKNUELQKBHGBB-QWRGUYRKSA-N 2 1 197.326 0.504 10 0 ACAEMP CC(C)N(C)[C@]1(C[NH3+])C[C@H](C)[N@@H+](C)C1 126843416 343798476 /nfs/dbraw/zinc/79/84/76/343798476.db2.gz HESHOINKELHKOS-QWRGUYRKSA-N 2 1 199.342 0.748 10 0 ACAEMP CC(C)N(C)[C@@]1(C[NH3+])C[C@H](C)[N@@H+](C)C1 126843855 343798529 /nfs/dbraw/zinc/79/85/29/343798529.db2.gz HESHOINKELHKOS-WDEREUQCSA-N 2 1 199.342 0.748 10 0 ACAEMP CCN(C)[C@@]1(C[NH3+])C[C@H](C)[N@@H+](C)C1 126866076 343798542 /nfs/dbraw/zinc/79/85/42/343798542.db2.gz RSRVIBMXVFICRK-VHSXEESVSA-N 2 1 185.315 0.360 10 0 ACAEMP CC(C)N(C)[C@]1(C[NH3+])C[C@@H](C)[N@@H+](C)C1 126843167 343798577 /nfs/dbraw/zinc/79/85/77/343798577.db2.gz HESHOINKELHKOS-MNOVXSKESA-N 2 1 199.342 0.748 10 0 ACAEMP CCN(C)[C@]1(C[NH3+])C[C@H](C)[N@@H+](C)C1 126865843 343798610 /nfs/dbraw/zinc/79/86/10/343798610.db2.gz RSRVIBMXVFICRK-UWVGGRQHSA-N 2 1 185.315 0.360 10 0 ACAEMP CC(C)N(C)[C@@]1(C[NH3+])C[C@@H](C)[N@@H+](C)C1 126843635 343798629 /nfs/dbraw/zinc/79/86/29/343798629.db2.gz HESHOINKELHKOS-GHMZBOCLSA-N 2 1 199.342 0.748 10 0 ACAEMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]cn1 126878984 343798952 /nfs/dbraw/zinc/79/89/52/343798952.db2.gz YHFWOXJUOGQCOL-IUCAKERBSA-N 2 1 194.282 0.579 10 0 ACAEMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]cn1 126878984 343798953 /nfs/dbraw/zinc/79/89/53/343798953.db2.gz YHFWOXJUOGQCOL-IUCAKERBSA-N 2 1 194.282 0.579 10 0 ACAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]cn1 126878770 343799001 /nfs/dbraw/zinc/79/90/01/343799001.db2.gz YHFWOXJUOGQCOL-BDAKNGLRSA-N 2 1 194.282 0.579 10 0 ACAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]cn1 126878770 343799003 /nfs/dbraw/zinc/79/90/03/343799003.db2.gz YHFWOXJUOGQCOL-BDAKNGLRSA-N 2 1 194.282 0.579 10 0 ACAEMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]cn1 126878310 343799029 /nfs/dbraw/zinc/79/90/29/343799029.db2.gz YHFWOXJUOGQCOL-RKDXNWHRSA-N 2 1 194.282 0.579 10 0 ACAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]cn1 126878310 343799032 /nfs/dbraw/zinc/79/90/32/343799032.db2.gz YHFWOXJUOGQCOL-RKDXNWHRSA-N 2 1 194.282 0.579 10 0 ACAEMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]cn1 126878551 343799279 /nfs/dbraw/zinc/79/92/79/343799279.db2.gz YHFWOXJUOGQCOL-DTWKUNHWSA-N 2 1 194.282 0.579 10 0 ACAEMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]cn1 126878551 343799280 /nfs/dbraw/zinc/79/92/80/343799280.db2.gz YHFWOXJUOGQCOL-DTWKUNHWSA-N 2 1 194.282 0.579 10 0 ACAEMP CC(C)[NH2+][C@@]1(C[NH3+])C[C@H](C)N(C)C1 126980075 343801913 /nfs/dbraw/zinc/80/19/13/343801913.db2.gz WXUPQXPNNCSCNN-VHSXEESVSA-N 2 1 185.315 0.406 10 0 ACAEMP CC(C)[NH2+][C@]1(C[NH3+])C[C@H](C)N(C)C1 126979650 343802285 /nfs/dbraw/zinc/80/22/85/343802285.db2.gz WXUPQXPNNCSCNN-UWVGGRQHSA-N 2 1 185.315 0.406 10 0 ACAEMP CC(C)[NH2+][C@@]1(C[NH3+])C[C@@H](C)N(C)C1 126979851 343802300 /nfs/dbraw/zinc/80/23/00/343802300.db2.gz WXUPQXPNNCSCNN-NXEZZACHSA-N 2 1 185.315 0.406 10 0 ACAEMP C[C@H]1C[C@@H](C[NH3+])CN1c1[nH+]ccn1C 127034239 343803110 /nfs/dbraw/zinc/80/31/10/343803110.db2.gz BVUHKIVACNQSFX-IUCAKERBSA-N 2 1 194.282 0.594 10 0 ACAEMP C[C@@H]1C[C@@H](C[NH3+])CN1c1[nH+]ccn1C 127033962 343803140 /nfs/dbraw/zinc/80/31/40/343803140.db2.gz BVUHKIVACNQSFX-BDAKNGLRSA-N 2 1 194.282 0.594 10 0 ACAEMP C[C@@H]1C[C@H](C[NH3+])CN1c1[nH+]ccn1C 127033469 343803336 /nfs/dbraw/zinc/80/33/36/343803336.db2.gz BVUHKIVACNQSFX-RKDXNWHRSA-N 2 1 194.282 0.594 10 0 ACAEMP C[C@H]1C[C@H](C[NH3+])CN1c1[nH+]ccn1C 127033710 343803370 /nfs/dbraw/zinc/80/33/70/343803370.db2.gz BVUHKIVACNQSFX-DTWKUNHWSA-N 2 1 194.282 0.594 10 0 ACAEMP C[N@H+](C1CCC1)[C@@]1(C[NH3+])CCCOC1 127246763 343808377 /nfs/dbraw/zinc/80/83/77/343808377.db2.gz IGGODIOUMGCMOB-LLVKDONJSA-N 2 1 198.310 0.979 10 0 ACAEMP C[N@@H+](C1CCC1)[C@@]1(C[NH3+])CCCOC1 127246763 343808378 /nfs/dbraw/zinc/80/83/78/343808378.db2.gz IGGODIOUMGCMOB-LLVKDONJSA-N 2 1 198.310 0.979 10 0 ACAEMP C[N@H+](C1CCC1)[C@]1(C[NH3+])CCCOC1 127246508 343808562 /nfs/dbraw/zinc/80/85/62/343808562.db2.gz IGGODIOUMGCMOB-NSHDSACASA-N 2 1 198.310 0.979 10 0 ACAEMP C[N@@H+](C1CCC1)[C@]1(C[NH3+])CCCOC1 127246508 343808566 /nfs/dbraw/zinc/80/85/66/343808566.db2.gz IGGODIOUMGCMOB-NSHDSACASA-N 2 1 198.310 0.979 10 0 ACAEMP CSC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 127307279 343809581 /nfs/dbraw/zinc/80/95/81/343809581.db2.gz WSXSZLSDLPAUOH-YUMQZZPRSA-N 2 1 174.313 0.689 10 0 ACAEMP CSC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 127307032 343809645 /nfs/dbraw/zinc/80/96/45/343809645.db2.gz WSXSZLSDLPAUOH-HTQZYQBOSA-N 2 1 174.313 0.689 10 0 ACAEMP CSC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 127306787 343809744 /nfs/dbraw/zinc/80/97/44/343809744.db2.gz WSXSZLSDLPAUOH-JGVFFNPUSA-N 2 1 174.313 0.689 10 0 ACAEMP C[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])C2)C[N@H+]1C 127328593 343809800 /nfs/dbraw/zinc/80/98/00/343809800.db2.gz TXMZXNQLXSMVBP-OUAUKWLOSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@H]1C[C@H](N2CCC[NH2+]CC2)C[N@H+]1C 127322948 343809827 /nfs/dbraw/zinc/80/98/27/343809827.db2.gz HEQMUTYEQMWVIZ-QWRGUYRKSA-N 2 1 197.326 0.374 10 0 ACAEMP C[C@H]1C[C@@H](N2CCC[NH2+]CC2)C[N@H+]1C 127323426 343809835 /nfs/dbraw/zinc/80/98/35/343809835.db2.gz HEQMUTYEQMWVIZ-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP C[C@@H]1C[C@H](N2CCC[C@H]([NH3+])C2)C[N@H+]1C 127328124 343809888 /nfs/dbraw/zinc/80/98/88/343809888.db2.gz TXMZXNQLXSMVBP-VWYCJHECSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@@H]1C[C@@H](N2CCC[NH2+]CC2)C[N@H+]1C 127323184 343809907 /nfs/dbraw/zinc/80/99/07/343809907.db2.gz HEQMUTYEQMWVIZ-GHMZBOCLSA-N 2 1 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BQVKHXZMNYVYJX-ZJUUUORDSA-N 2 1 185.315 0.360 10 0 ACAEMP CN(CC[NH3+])[C@H]1CC[N@H+]2CCC[C@@H]2C1 156597910 344092310 /nfs/dbraw/zinc/09/23/10/344092310.db2.gz FWBCKXNBFKDBDA-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP C[C@@H]1C[C@@](O)([C@@H]2CCC[NH2+]2)CC[N@H+]1C 156709431 344093879 /nfs/dbraw/zinc/09/38/79/344093879.db2.gz SWGQGWPZRWCZAZ-OUAUKWLOSA-N 2 1 198.310 0.584 10 0 ACAEMP C[C@H]1C[C@@](CO)([NH2+]C2CC2)CC[N@@H+]1C 156971841 344098090 /nfs/dbraw/zinc/09/80/90/344098090.db2.gz ADCAMRGGTHJWMY-ONGXEEELSA-N 2 1 198.310 0.584 10 0 ACAEMP C[C@H]1C[C@@](CO)([NH2+]C2CC2)CC[N@H+]1C 156971841 344098091 /nfs/dbraw/zinc/09/80/91/344098091.db2.gz ADCAMRGGTHJWMY-ONGXEEELSA-N 2 1 198.310 0.584 10 0 ACAEMP CC[NH2+][C@@]1(CO)CC[N@H+](C)[C@H](C)C1 156963589 344098129 /nfs/dbraw/zinc/09/81/29/344098129.db2.gz AHNMYZWVYRFXRP-ZJUUUORDSA-N 2 1 186.299 0.441 10 0 ACAEMP CC[NH2+][C@@]1(CO)CC[N@@H+](C)[C@H](C)C1 156963589 344098130 /nfs/dbraw/zinc/09/81/30/344098130.db2.gz AHNMYZWVYRFXRP-ZJUUUORDSA-N 2 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C[C@@H]1C[C@](CO)([NH2+]C2CC2)CC[N@H+]1C 156971977 344098440 /nfs/dbraw/zinc/09/84/40/344098440.db2.gz ADCAMRGGTHJWMY-MWLCHTKSSA-N 2 1 198.310 0.584 10 0 ACAEMP C[NH2+][C@]1(CO)CC[N@H+](C)[C@@H](C)C1 156965720 344098443 /nfs/dbraw/zinc/09/84/43/344098443.db2.gz HAYPANDEAYXIFQ-DTWKUNHWSA-N 2 1 172.272 0.051 10 0 ACAEMP C[NH2+][C@]1(CO)CC[N@@H+](C)[C@@H](C)C1 156965720 344098445 /nfs/dbraw/zinc/09/84/45/344098445.db2.gz HAYPANDEAYXIFQ-DTWKUNHWSA-N 2 1 172.272 0.051 10 0 ACAEMP C[NH2+][C@]1(CO)CC[N@H+](C)[C@H](C)C1 156965581 344098451 /nfs/dbraw/zinc/09/84/51/344098451.db2.gz HAYPANDEAYXIFQ-RKDXNWHRSA-N 2 1 172.272 0.051 10 0 ACAEMP C[NH2+][C@]1(CO)CC[N@@H+](C)[C@H](C)C1 156965581 344098452 /nfs/dbraw/zinc/09/84/52/344098452.db2.gz HAYPANDEAYXIFQ-RKDXNWHRSA-N 2 1 172.272 0.051 10 0 ACAEMP CC[NH2+][C@]1(CO)CC[N@H+](C)[C@H](C)C1 156963441 344098470 /nfs/dbraw/zinc/09/84/70/344098470.db2.gz AHNMYZWVYRFXRP-NXEZZACHSA-N 2 1 186.299 0.441 10 0 ACAEMP CC[NH2+][C@]1(CO)CC[N@@H+](C)[C@H](C)C1 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344313535 /nfs/dbraw/zinc/31/35/35/344313535.db2.gz SOBCDPMKNCBGFR-IUCAKERBSA-N 2 1 156.273 0.984 10 0 ACAEMP CC[C@H]1CC[NH2+][C@@H](C[NH2+]C)C1 167740399 344313612 /nfs/dbraw/zinc/31/36/12/344313612.db2.gz SOBCDPMKNCBGFR-DTWKUNHWSA-N 2 1 156.273 0.984 10 0 ACAEMP Cc1cc(NN)[nH+]c(CC[NH+](C)C)n1 167954771 344317512 /nfs/dbraw/zinc/31/75/12/344317512.db2.gz JCGSYSSTZHMCDZ-UHFFFAOYSA-N 2 1 195.270 0.175 10 0 ACAEMP CC(C)[C@@H]([NH3+])Cc1c[nH+]cn1C 167991077 344317921 /nfs/dbraw/zinc/31/79/21/344317921.db2.gz RPEDQLYEQPMBDM-VIFPVBQESA-N 2 1 167.256 0.946 10 0 ACAEMP CC(C)[C@H]([NH3+])Cc1c[nH+]cn1C 167990979 344318129 /nfs/dbraw/zinc/31/81/29/344318129.db2.gz RPEDQLYEQPMBDM-SECBINFHSA-N 2 1 167.256 0.946 10 0 ACAEMP CC1C[NH+](C[C@H]([NH3+])C2CC2)C1 168250080 344326228 /nfs/dbraw/zinc/32/62/28/344326228.db2.gz DJYQJJMATMNRFK-VIFPVBQESA-N 2 1 154.257 0.675 10 0 ACAEMP [NH3+][C@H](C[NH+]1CC=CC1)C1CC1 168249667 344326329 /nfs/dbraw/zinc/32/63/29/344326329.db2.gz RZBNWEXIFHPEDI-SECBINFHSA-N 2 1 152.241 0.596 10 0 ACAEMP [NH3+][C@@H](C[NH+]1CC=CC1)C1CC1 168249771 344326430 /nfs/dbraw/zinc/32/64/30/344326430.db2.gz RZBNWEXIFHPEDI-VIFPVBQESA-N 2 1 152.241 0.596 10 0 ACAEMP C[C@H]1CC[N@@H+]1C[C@H]([NH3+])C1CC1 168249478 344326457 /nfs/dbraw/zinc/32/64/57/344326457.db2.gz URYIGPJUUBKPQG-CBAPKCEASA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H]1CC[N@H+]1C[C@H]([NH3+])C1CC1 168249478 344326460 /nfs/dbraw/zinc/32/64/60/344326460.db2.gz URYIGPJUUBKPQG-CBAPKCEASA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1CC[N@@H+]1C[C@H]([NH3+])C1CC1 168249376 344326711 /nfs/dbraw/zinc/32/67/11/344326711.db2.gz URYIGPJUUBKPQG-APPZFPTMSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1CC[N@H+]1C[C@H]([NH3+])C1CC1 168249376 344326714 /nfs/dbraw/zinc/32/67/14/344326714.db2.gz URYIGPJUUBKPQG-APPZFPTMSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H]1CC[N@@H+]1CC(C)(C)[NH3+] 168414821 344330340 /nfs/dbraw/zinc/33/03/40/344330340.db2.gz UPWWOVBRPPBTRC-ZETCQYMHSA-N 2 1 142.246 0.818 10 0 ACAEMP C[C@H]1CC[N@H+]1CC(C)(C)[NH3+] 168414821 344330342 /nfs/dbraw/zinc/33/03/42/344330342.db2.gz UPWWOVBRPPBTRC-ZETCQYMHSA-N 2 1 142.246 0.818 10 0 ACAEMP C[C@@H]1CC[N@@H+]1CC(C)(C)[NH3+] 168414718 344330368 /nfs/dbraw/zinc/33/03/68/344330368.db2.gz UPWWOVBRPPBTRC-SSDOTTSWSA-N 2 1 142.246 0.818 10 0 ACAEMP C[C@@H]1CC[N@H+]1CC(C)(C)[NH3+] 168414718 344330370 /nfs/dbraw/zinc/33/03/70/344330370.db2.gz UPWWOVBRPPBTRC-SSDOTTSWSA-N 2 1 142.246 0.818 10 0 ACAEMP C[NH2+]C1(C)CC[NH+]([C@@H]2CCOC2)CC1 168440631 344330740 /nfs/dbraw/zinc/33/07/40/344330740.db2.gz PPQIAHYABJCKHQ-SNVBAGLBSA-N 2 1 198.310 0.849 10 0 ACAEMP C[NH2+]C1(C)CC[NH+]([C@H]2CCOC2)CC1 168440722 344330907 /nfs/dbraw/zinc/33/09/07/344330907.db2.gz PPQIAHYABJCKHQ-JTQLQIEISA-N 2 1 198.310 0.849 10 0 ACAEMP C[NH2+]C1(C)CC[NH+](CCO)CC1 168463932 344331308 /nfs/dbraw/zinc/33/13/08/344331308.db2.gz GSCIKXWQOURPKS-UHFFFAOYSA-N 2 1 172.272 0.053 10 0 ACAEMP C[C@@H]1C[N@H+](CC2(C[NH3+])CCC2)CCO1 168518007 344332323 /nfs/dbraw/zinc/33/23/23/344332323.db2.gz ADPXIWPGAJKVSC-SNVBAGLBSA-N 2 1 198.310 0.836 10 0 ACAEMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CCC2)CCO1 168518007 344332325 /nfs/dbraw/zinc/33/23/25/344332325.db2.gz ADPXIWPGAJKVSC-SNVBAGLBSA-N 2 1 198.310 0.836 10 0 ACAEMP CN1CC[NH+](CC2(C[NH3+])CCC2)CC1 168517533 344332433 /nfs/dbraw/zinc/33/24/33/344332433.db2.gz GXJWAABOVNQOFW-UHFFFAOYSA-N 2 1 197.326 0.363 10 0 ACAEMP C[C@H]1C[N@H+](CC2(C[NH3+])CCC2)CCO1 168518114 344332496 /nfs/dbraw/zinc/33/24/96/344332496.db2.gz ADPXIWPGAJKVSC-JTQLQIEISA-N 2 1 198.310 0.836 10 0 ACAEMP C[C@H]1C[N@@H+](CC2(C[NH3+])CCC2)CCO1 168518114 344332498 /nfs/dbraw/zinc/33/24/98/344332498.db2.gz ADPXIWPGAJKVSC-JTQLQIEISA-N 2 1 198.310 0.836 10 0 ACAEMP CC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 168644916 344334126 /nfs/dbraw/zinc/33/41/26/344334126.db2.gz WKFORSPUAFWBQX-NSHDSACASA-N 2 1 196.294 0.792 10 0 ACAEMP CC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 168644916 344334128 /nfs/dbraw/zinc/33/41/28/344334128.db2.gz WKFORSPUAFWBQX-NSHDSACASA-N 2 1 196.294 0.792 10 0 ACAEMP CC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 168644996 344334203 /nfs/dbraw/zinc/33/42/03/344334203.db2.gz WKFORSPUAFWBQX-LLVKDONJSA-N 2 1 196.294 0.792 10 0 ACAEMP CC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 168644996 344334206 /nfs/dbraw/zinc/33/42/06/344334206.db2.gz WKFORSPUAFWBQX-LLVKDONJSA-N 2 1 196.294 0.792 10 0 ACAEMP C[N@H+]1CCCN(CC2(C[NH3+])CC2)CC1 168752301 344335964 /nfs/dbraw/zinc/33/59/64/344335964.db2.gz HIVOGEJIOXFJNM-UHFFFAOYSA-N 2 1 197.326 0.363 10 0 ACAEMP CC1(C)C[N@H+](CC2(C[NH3+])CC2)CCO1 168757915 344336557 /nfs/dbraw/zinc/33/65/57/344336557.db2.gz UBIKMHAVDFEPHH-UHFFFAOYSA-N 2 1 198.310 0.836 10 0 ACAEMP CC1(C)C[N@@H+](CC2(C[NH3+])CC2)CCO1 168757915 344336559 /nfs/dbraw/zinc/33/65/59/344336559.db2.gz UBIKMHAVDFEPHH-UHFFFAOYSA-N 2 1 198.310 0.836 10 0 ACAEMP CC1(C)COCC[N@@H+]1CC1(C[NH3+])CC1 168764635 344336799 /nfs/dbraw/zinc/33/67/99/344336799.db2.gz UHVOQJMXXLIGSR-UHFFFAOYSA-N 2 1 198.310 0.836 10 0 ACAEMP CC1(C)COCC[N@H+]1CC1(C[NH3+])CC1 168764635 344336801 /nfs/dbraw/zinc/33/68/01/344336801.db2.gz UHVOQJMXXLIGSR-UHFFFAOYSA-N 2 1 198.310 0.836 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@@H+]1[C@@H]1CCCOC1 168792820 344337530 /nfs/dbraw/zinc/33/75/30/344337530.db2.gz PTIDKBCKDPDCNF-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1CCCOC1 168792820 344337531 /nfs/dbraw/zinc/33/75/31/344337531.db2.gz PTIDKBCKDPDCNF-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[N@H+]1CC[C@H](N2CCC[C@@H]2C[NH3+])C1 168787305 344337614 /nfs/dbraw/zinc/33/76/14/344337614.db2.gz YMCMRXKLABUYHQ-ZJUUUORDSA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@@H]1CN(CC2(C[NH3+])CC2)CC[N@H+]1C 168785183 344337635 /nfs/dbraw/zinc/33/76/35/344337635.db2.gz XUPJATYFUUGJCV-SNVBAGLBSA-N 2 1 197.326 0.361 10 0 ACAEMP C[C@@H]1C[N@H+](CC2(C[NH3+])CC2)CCN1C 168785183 344337638 /nfs/dbraw/zinc/33/76/38/344337638.db2.gz XUPJATYFUUGJCV-SNVBAGLBSA-N 2 1 197.326 0.361 10 0 ACAEMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)CCN1C 168785183 344337640 /nfs/dbraw/zinc/33/76/40/344337640.db2.gz XUPJATYFUUGJCV-SNVBAGLBSA-N 2 1 197.326 0.361 10 0 ACAEMP [NH3+]C[C@@H]1CCC[N@@H+]1[C@@H]1CCCOC1 168792907 344337656 /nfs/dbraw/zinc/33/76/56/344337656.db2.gz PTIDKBCKDPDCNF-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP [NH3+]C[C@@H]1CCC[N@H+]1[C@@H]1CCCOC1 168792907 344337658 /nfs/dbraw/zinc/33/76/58/344337658.db2.gz PTIDKBCKDPDCNF-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP C[N@H+]1CC[C@@H](N2CCC[C@@H]2C[NH3+])C1 168787396 344337696 /nfs/dbraw/zinc/33/76/96/344337696.db2.gz YMCMRXKLABUYHQ-NXEZZACHSA-N 2 1 183.299 0.114 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@@H+]1[C@@H]1CCSC1 168789666 344337719 /nfs/dbraw/zinc/33/77/19/344337719.db2.gz HWHLBYQWYMVZFW-RKDXNWHRSA-N 2 1 186.324 0.915 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1CCSC1 168789666 344337722 /nfs/dbraw/zinc/33/77/22/344337722.db2.gz HWHLBYQWYMVZFW-RKDXNWHRSA-N 2 1 186.324 0.915 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 168792671 344337730 /nfs/dbraw/zinc/33/77/30/344337730.db2.gz JEWWKVWATGZBMC-WDEREUQCSA-N 2 1 198.310 0.836 10 0 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168792715 344337809 /nfs/dbraw/zinc/33/78/09/344337809.db2.gz JEWWKVWATGZBMC-QWRGUYRKSA-N 2 1 198.310 0.836 10 0 ACAEMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCOC1 168792715 344337812 /nfs/dbraw/zinc/33/78/12/344337812.db2.gz JEWWKVWATGZBMC-QWRGUYRKSA-N 2 1 198.310 0.836 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1CC[N@@H+](C)C1 168828617 344338132 /nfs/dbraw/zinc/33/81/32/344338132.db2.gz UMNOEOROHPQKGS-GMTAPVOTSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])CCN1[C@@H]1CC[N@@H+](C)C1 168828797 344338217 /nfs/dbraw/zinc/33/82/17/344338217.db2.gz UMNOEOROHPQKGS-OUAUKWLOSA-N 2 1 197.326 0.502 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@@H+]1[C@@H]1CCC[C@H]1O 168924331 344339912 /nfs/dbraw/zinc/33/99/12/344339912.db2.gz JIKJIRUCZXZDPK-OPRDCNLKSA-N 2 1 184.283 0.323 10 0 ACAEMP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1CCC[C@H]1O 168924331 344339914 /nfs/dbraw/zinc/33/99/14/344339914.db2.gz JIKJIRUCZXZDPK-OPRDCNLKSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(C)(C)O 168938693 344340402 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/nfs/dbraw/zinc/34/05/33/344340533.db2.gz PMAJXBOZAKUHEA-RKDXNWHRSA-N 2 1 186.299 0.569 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(C)(C)O 168938780 344340539 /nfs/dbraw/zinc/34/05/39/344340539.db2.gz PMAJXBOZAKUHEA-BDAKNGLRSA-N 2 1 186.299 0.569 10 0 ACAEMP C[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 168962942 344341120 /nfs/dbraw/zinc/34/11/20/344341120.db2.gz MAMPVJSKPRKZGQ-IWSPIJDZSA-N 2 1 172.272 0.179 10 0 ACAEMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 168979083 344341566 /nfs/dbraw/zinc/34/15/66/344341566.db2.gz KUAOFJGNPFTENA-XHNCKOQMSA-N 2 1 199.298 0.062 10 0 ACAEMP CC[C@H](C(N)=O)[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 168979083 344341567 /nfs/dbraw/zinc/34/15/67/344341567.db2.gz KUAOFJGNPFTENA-XHNCKOQMSA-N 2 1 199.298 0.062 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])CCN1c1[nH+]ccn1C 169027082 344342889 /nfs/dbraw/zinc/34/28/89/344342889.db2.gz DKHRTXAHDZTEPD-RKDXNWHRSA-N 2 1 194.282 0.736 10 0 ACAEMP C[C@H]1C[C@H]([NH3+])CCN1c1[nH+]ccn1C 169027170 344342975 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CSC1(C[NH2+][C@@H]2CC[NH2+]C2)CC1 235096249 344733088 /nfs/dbraw/zinc/73/30/88/344733088.db2.gz HOBPULPREISMFU-MRVPVSSYSA-N 2 1 186.324 0.834 10 0 ACAEMP C[C@@H](C[NH3+])Nc1ccc[nH+]c1N(C)C 235117528 344733338 /nfs/dbraw/zinc/73/33/38/344733338.db2.gz PEVCSEMWKBYGJE-QMMMGPOBSA-N 2 1 194.282 0.907 10 0 ACAEMP C[C@@H](C[NH3+])N1CCC[N@@H+](C)C[C@@H]1C 235115839 344733450 /nfs/dbraw/zinc/73/34/50/344733450.db2.gz FYVRHMIEXKPNRV-UWVGGRQHSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@@H](C[NH3+])CN1CCC[N@@H+](C)C[C@@H]1C 235113795 344733471 /nfs/dbraw/zinc/73/34/71/344733471.db2.gz RYGROBCBXHZWLX-QWRGUYRKSA-N 2 1 199.342 0.607 10 0 ACAEMP CSC1(C[NH2+][C@H]2CC[NH2+]C2)CC1 235121404 344733729 /nfs/dbraw/zinc/73/37/29/344733729.db2.gz HOBPULPREISMFU-QMMMGPOBSA-N 2 1 186.324 0.834 10 0 ACAEMP C[C@@H](C[N@H+]1CC[C@@](C)(O)C1)C(N)=[NH2+] 235134310 344733759 /nfs/dbraw/zinc/73/37/59/344733759.db2.gz BHHAVUOZZUHGNJ-IONNQARKSA-N 2 1 185.271 0.015 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]C1CCC1 235124709 344733813 /nfs/dbraw/zinc/73/38/13/344733813.db2.gz YBZWSFFDVGXEER-LURJTMIESA-N 2 1 128.219 0.476 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]C1CCSCC1 235125285 344733924 /nfs/dbraw/zinc/73/39/24/344733924.db2.gz YAQICHCSUOWVTF-ZETCQYMHSA-N 2 1 174.313 0.819 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]C1CCOCC1 235125128 344734002 /nfs/dbraw/zinc/73/40/02/344734002.db2.gz RPIGSMQXGSUZEG-ZETCQYMHSA-N 2 1 158.245 0.102 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCSC1 235148881 344734236 /nfs/dbraw/zinc/73/42/36/344734236.db2.gz KAYBELRFCSEKLL-NKWVEPMBSA-N 2 1 160.286 0.429 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC1(C)C 235147312 344734249 /nfs/dbraw/zinc/73/42/49/344734249.db2.gz WBLYHBRPABSJCY-NKWVEPMBSA-N 2 1 142.246 0.722 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCSC1 235147994 344734308 /nfs/dbraw/zinc/73/43/08/344734308.db2.gz TXRNTUAFMOPPQC-JGVFFNPUSA-N 2 1 174.313 0.819 10 0 ACAEMP C[C@@H]([NH3+])[C@@H]1CCN(c2[nH]cc[nH+]2)C1 235180474 344735124 /nfs/dbraw/zinc/73/51/24/344735124.db2.gz YGIUTEWFHBJTIF-HTQZYQBOSA-N 2 1 180.255 0.583 10 0 ACAEMP C[C@H]1C[N@H+](C)CCCN1C[C@@H](C)[NH3+] 235173091 344735233 /nfs/dbraw/zinc/73/52/33/344735233.db2.gz UUERFXAMHSYUBT-ZJUUUORDSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@H]1CCC[N@@H+](C[C@@H](C)O)[C@H]1C[NH3+] 235224927 344736195 /nfs/dbraw/zinc/73/61/95/344736195.db2.gz PNZYIMQIIMCWRU-AEJSXWLSSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@H]1CCC[N@H+](C[C@@H](C)O)[C@H]1C[NH3+] 235224927 344736197 /nfs/dbraw/zinc/73/61/97/344736197.db2.gz PNZYIMQIIMCWRU-AEJSXWLSSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@@H](O)C[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 235243420 344737591 /nfs/dbraw/zinc/73/75/91/344737591.db2.gz LNVMKUXAEQMKDW-NFLHVTIKSA-N 2 1 198.310 0.582 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C1(C[NH3+])CC1 235242949 344737697 /nfs/dbraw/zinc/73/76/97/344737697.db2.gz JKDUCPXVXAHUNS-MRVPVSSYSA-N 2 1 154.257 0.962 10 0 ACAEMP C[C@@H](O)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C1 235255783 344738044 /nfs/dbraw/zinc/73/80/44/344738044.db2.gz ZKTKMOUBXUZPFF-MXWKQRLJSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@@H](O)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)C1 235255783 344738045 /nfs/dbraw/zinc/73/80/45/344738045.db2.gz ZKTKMOUBXUZPFF-MXWKQRLJSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCN1[C@@H]1CCC[C@@H]1[NH3+] 235284121 344740519 /nfs/dbraw/zinc/74/05/19/344740519.db2.gz YDQWICJJCUCAKD-OUAUKWLOSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@@H]1CC[N@@H+]1CC1([NH3+])CCC1 235292301 344741247 /nfs/dbraw/zinc/74/12/47/344741247.db2.gz DIXNMPXDUJFWHY-MRVPVSSYSA-N 2 1 154.257 0.962 10 0 ACAEMP C[C@@H]1CC[N@H+]1CC1([NH3+])CCC1 235292301 344741249 /nfs/dbraw/zinc/74/12/49/344741249.db2.gz DIXNMPXDUJFWHY-MRVPVSSYSA-N 2 1 154.257 0.962 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])CCN1c1[nH]cc[nH+]1 235295582 344741311 /nfs/dbraw/zinc/74/13/11/344741311.db2.gz HYHBCTMBABLTMN-HTQZYQBOSA-N 2 1 180.255 0.726 10 0 ACAEMP C[C@@H]1SCC[C@@H]1[N@H+](C)CC[NH3+] 235297610 344741898 /nfs/dbraw/zinc/74/18/98/344741898.db2.gz JWPQHFRFGCROIB-YUMQZZPRSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@@H]1SCC[C@@H]1[N@@H+](C)CC[NH3+] 235297610 344741900 /nfs/dbraw/zinc/74/19/00/344741900.db2.gz JWPQHFRFGCROIB-YUMQZZPRSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1CO 235314809 344742690 /nfs/dbraw/zinc/74/26/90/344742690.db2.gz AUDOWLOTNNXRRI-OUAUKWLOSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1CO 235314809 344742691 /nfs/dbraw/zinc/74/26/91/344742691.db2.gz AUDOWLOTNNXRRI-OUAUKWLOSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@@H]1SCC[C@@H]1[NH2+]CC[NH3+] 235307031 344742749 /nfs/dbraw/zinc/74/27/49/344742749.db2.gz GJGNWJARLNZHKD-BQBZGAKWSA-N 2 1 160.286 0.429 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCCN1C(C)(C)C[NH3+] 235323264 344743096 /nfs/dbraw/zinc/74/30/96/344743096.db2.gz DWRLCVCLZIVUEY-SNVBAGLBSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCCN1C1(C[NH3+])CC1 235323837 344743447 /nfs/dbraw/zinc/74/34/47/344743447.db2.gz RNJCHXZUGGATHY-SNVBAGLBSA-N 2 1 197.326 0.504 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCCN1CC(C)(C)[NH3+] 235330263 344743687 /nfs/dbraw/zinc/74/36/87/344743687.db2.gz DTVGOLLXBDNNOY-SNVBAGLBSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H]1CN(c2[nH]cc[nH+]2)C[C@@H](C)[NH2+]1 235328764 344743760 /nfs/dbraw/zinc/74/37/60/344743760.db2.gz JLPITFQOQXZIKO-HTQZYQBOSA-N 2 1 180.255 0.596 10 0 ACAEMP C[C@@H]1SCC[C@@]1(C[NH3+])[NH+](C)C 235329303 344743782 /nfs/dbraw/zinc/74/37/82/344743782.db2.gz ASIDHNPEPWOOBZ-YUMQZZPRSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@@H]1CN(C2(C[NH3+])CC2)CC[N@H+]1C 235330459 344743820 /nfs/dbraw/zinc/74/38/20/344743820.db2.gz ITPQIKSWXUDCSH-SECBINFHSA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@@H]1CN(c2[nH]cc[nH+]2)CC[C@@H]1[NH3+] 235328709 344743854 /nfs/dbraw/zinc/74/38/54/344743854.db2.gz CUZAZSKSWHIIIA-SFYZADRCSA-N 2 1 180.255 0.583 10 0 ACAEMP C[C@@H]1C[N@H+](C2CCOCC2)C[C@@H]1[NH3+] 235333236 344743928 /nfs/dbraw/zinc/74/39/28/344743928.db2.gz PYKAXOTUCDDCKU-SCZZXKLOSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1C[N@H+](C2CCC2)C[C@@H]1[NH3+] 235332273 344744017 /nfs/dbraw/zinc/74/40/17/344744017.db2.gz YCHUMYVHHALVRB-APPZFPTMSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1[NH3+] 235333343 344744319 /nfs/dbraw/zinc/74/43/19/344744319.db2.gz OQJJQROPPUFXRH-UTLUCORTSA-N 2 1 184.283 0.302 10 0 ACAEMP C[C@@H]1CN(c2[nH+]ccn2C)C[C@@H]1[NH3+] 235340157 344744441 /nfs/dbraw/zinc/74/44/41/344744441.db2.gz KNYNGQMXGSPNBZ-SFYZADRCSA-N 2 1 180.255 0.204 10 0 ACAEMP C[C@@H]1CN([C@@H]2CCC[N@@H+](C)C2)C[C@@H]1[NH3+] 235346619 344744917 /nfs/dbraw/zinc/74/49/17/344744917.db2.gz SBPXAILYVCNGMM-MXWKQRLJSA-N 2 1 197.326 0.360 10 0 ACAEMP C[C@@H]1C[N@@H+]([C@@H]2CCCOC2)C[C@@H]1[NH3+] 235347042 344744973 /nfs/dbraw/zinc/74/49/73/344744973.db2.gz MXOUWUFKVRDNJG-BBBLOLIVSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1C[N@H+]([C@@H]2CCCOC2)C[C@@H]1[NH3+] 235347042 344744974 /nfs/dbraw/zinc/74/49/74/344744974.db2.gz MXOUWUFKVRDNJG-BBBLOLIVSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1C[N@@H+]([C@@H]2CCSC2)C[C@@H]1[NH3+] 235349365 344745046 /nfs/dbraw/zinc/74/50/46/344745046.db2.gz XINXOXKYWHFDAC-HLTSFMKQSA-N 2 1 186.324 0.771 10 0 ACAEMP C[C@@H]1C[N@H+]([C@@H]2CCSC2)C[C@@H]1[NH3+] 235349365 344745047 /nfs/dbraw/zinc/74/50/47/344745047.db2.gz XINXOXKYWHFDAC-HLTSFMKQSA-N 2 1 186.324 0.771 10 0 ACAEMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2O)C[C@@H]1[NH3+] 235348024 344745159 /nfs/dbraw/zinc/74/51/59/344745159.db2.gz CTYXQOKXMLMWOS-RGOKHQFPSA-N 2 1 184.283 0.179 10 0 ACAEMP C[C@@H]1C[N@H+]([C@H](C)[C@H]2CCOC2)C[C@@H]1[NH3+] 235356003 344745453 /nfs/dbraw/zinc/74/54/53/344745453.db2.gz ITVRHGLTLNMYGX-ZNSHCXBVSA-N 2 1 198.310 0.690 10 0 ACAEMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1[NH3+] 235356461 344745466 /nfs/dbraw/zinc/74/54/66/344745466.db2.gz HAAYZIKMEANKIR-KOLCDFICSA-N 2 1 198.310 0.692 10 0 ACAEMP C[C@@H]1C[N@H+](CC(C)(C)O)C[C@@H]1[NH3+] 235356821 344745775 /nfs/dbraw/zinc/74/57/75/344745775.db2.gz BSRDUJBOBSPYKH-SFYZADRCSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)C[C@@H]1[NH3+] 235356821 344745777 /nfs/dbraw/zinc/74/57/77/344745777.db2.gz BSRDUJBOBSPYKH-SFYZADRCSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@@H]1SCC[C@H]1[N@H+](C)CC[NH3+] 235365824 344746188 /nfs/dbraw/zinc/74/61/88/344746188.db2.gz JWPQHFRFGCROIB-JGVFFNPUSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@@H]1SCC[C@H]1[N@@H+](C)CC[NH3+] 235365824 344746189 /nfs/dbraw/zinc/74/61/89/344746189.db2.gz JWPQHFRFGCROIB-JGVFFNPUSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@@H]1C[N@H+](CCCF)C[C@@H]1[NH3+] 235366202 344746254 /nfs/dbraw/zinc/74/62/54/344746254.db2.gz NVIIUDIFRZFUKH-SFYZADRCSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@@H]1C[N@@H+](CCCF)C[C@@H]1[NH3+] 235366202 344746256 /nfs/dbraw/zinc/74/62/56/344746256.db2.gz NVIIUDIFRZFUKH-SFYZADRCSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@@H]1C[N@H+](CCC(C)(C)O)C[C@@H]1[NH3+] 235359376 344746358 /nfs/dbraw/zinc/74/63/58/344746358.db2.gz WPCMMNKIFNAMMR-BDAKNGLRSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@@H]1C[N@@H+](CCC(C)(C)O)C[C@@H]1[NH3+] 235359376 344746362 /nfs/dbraw/zinc/74/63/62/344746362.db2.gz WPCMMNKIFNAMMR-BDAKNGLRSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCCN1C/C=C/C[NH3+] 235360371 344746460 /nfs/dbraw/zinc/74/64/60/344746460.db2.gz XMVGTTZTAOVAOU-PGLGOXFNSA-N 2 1 197.326 0.527 10 0 ACAEMP C[C@@H]1CN(C)CCC[N@H+]1C/C=C/C[NH3+] 235360371 344746465 /nfs/dbraw/zinc/74/64/65/344746465.db2.gz XMVGTTZTAOVAOU-PGLGOXFNSA-N 2 1 197.326 0.527 10 0 ACAEMP C[C@@H]1SCC[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 235369153 344746839 /nfs/dbraw/zinc/74/68/39/344746839.db2.gz RYGXKNRICWMDSY-DJLDLDEBSA-N 2 1 186.324 0.913 10 0 ACAEMP C[C@@H]1SCC[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 235369153 344746841 /nfs/dbraw/zinc/74/68/41/344746841.db2.gz RYGXKNRICWMDSY-DJLDLDEBSA-N 2 1 186.324 0.913 10 0 ACAEMP C[C@@H]1SCC[C@H]1[NH2+]CC[NH3+] 235371818 344746847 /nfs/dbraw/zinc/74/68/47/344746847.db2.gz GJGNWJARLNZHKD-NKWVEPMBSA-N 2 1 160.286 0.429 10 0 ACAEMP C[C@@H]1OCC[C@@]1(C)[N@@H+]1CC[C@@H]([NH3+])C1 235392088 344747285 /nfs/dbraw/zinc/74/72/85/344747285.db2.gz BDYHFKCVLNOUHV-IVZWLZJFSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1OCC[C@@]1(C)[N@@H+]1CCC[C@@H]([NH3+])C1 235391429 344747255 /nfs/dbraw/zinc/74/72/55/344747255.db2.gz CKMOFURQERSOEG-HBNTYKKESA-N 2 1 198.310 0.977 10 0 ACAEMP C[C@@H]1OCC[C@@]1(C)[N@H+]1CCC[C@@H]([NH3+])C1 235391429 344747257 /nfs/dbraw/zinc/74/72/57/344747257.db2.gz CKMOFURQERSOEG-HBNTYKKESA-N 2 1 198.310 0.977 10 0 ACAEMP Cc1c[nH]c(N2C[C@@H](C)[C@@H]([NH3+])C2)[nH+]1 235385317 344747316 /nfs/dbraw/zinc/74/73/16/344747316.db2.gz PWEVNSGIWPDGIV-SVRRBLITSA-N 2 1 180.255 0.502 10 0 ACAEMP C[C@@H]1SCC[C@]1(C[NH3+])[NH+](C)C 235387046 344747343 /nfs/dbraw/zinc/74/73/43/344747343.db2.gz ASIDHNPEPWOOBZ-JGVFFNPUSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@@H]1CCN(c2[nH]cc[nH+]2)C[C@@H]1[NH3+] 235383841 344747459 /nfs/dbraw/zinc/74/74/59/344747459.db2.gz OGCNTXAOZCXARM-SFYZADRCSA-N 2 1 180.255 0.583 10 0 ACAEMP Cc1c[nH]c(N2CC[NH2+][C@H](C)C2)[nH+]1 235385215 344747462 /nfs/dbraw/zinc/74/74/62/344747462.db2.gz FZKYZVOFQKIOAM-MRVPVSSYSA-N 2 1 180.255 0.516 10 0 ACAEMP Cc1c[nH]c(N2C[C@@H](C)[NH2+][C@H](C)C2)[nH+]1 235385268 344747498 /nfs/dbraw/zinc/74/74/98/344747498.db2.gz ATIWWOZENNYDMP-RKDXNWHRSA-N 2 1 194.282 0.905 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])CCN1c1[nH]cc[nH+]1 235398485 344747846 /nfs/dbraw/zinc/74/78/46/344747846.db2.gz HYHBCTMBABLTMN-SFYZADRCSA-N 2 1 180.255 0.726 10 0 ACAEMP C[C@@]1([NH2+]CC[NH3+])CCCOC1 235405020 344748368 /nfs/dbraw/zinc/74/83/68/344748368.db2.gz JBVGQYPFOOZPPU-MRVPVSSYSA-N 2 1 158.245 0.104 10 0 ACAEMP C[C@@]1([N@@H+]2CC[C@@H]([NH3+])C2)CCCOC1 235402222 344748546 /nfs/dbraw/zinc/74/85/46/344748546.db2.gz XXFDHLBTUQXWRA-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@@]1([N@H+]2CC[C@@H]([NH3+])C2)CCCOC1 235402222 344748548 /nfs/dbraw/zinc/74/85/48/344748548.db2.gz XXFDHLBTUQXWRA-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]C1 235427620 344749324 /nfs/dbraw/zinc/74/93/24/344749324.db2.gz ODWVMQFIJFOORY-GARJFASQSA-N 2 1 198.310 0.753 10 0 ACAEMP C[C@@H]1OCC[C@@]1(C)[NH2+]CC[NH3+] 235441086 344749828 /nfs/dbraw/zinc/74/98/28/344749828.db2.gz WCGQGTMTTFYOMT-JGVFFNPUSA-N 2 1 158.245 0.102 10 0 ACAEMP C[C@H](C[N@H+]1CC[C@@](C)(O)C1)C(N)=[NH2+] 235447737 344749840 /nfs/dbraw/zinc/74/98/40/344749840.db2.gz BHHAVUOZZUHGNJ-VXNVDRBHSA-N 2 1 185.271 0.015 10 0 ACAEMP C[C@@]1([NH2+]C[C@@H]2CCC[NH2+]2)CCCOC1 235450343 344749867 /nfs/dbraw/zinc/74/98/67/344749867.db2.gz GHXVRNRTBLWJMM-WDEREUQCSA-N 2 1 198.310 0.897 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]C1CCC1 235448882 344750017 /nfs/dbraw/zinc/75/00/17/344750017.db2.gz YBZWSFFDVGXEER-ZCFIWIBFSA-N 2 1 128.219 0.476 10 0 ACAEMP C[C@H]1C[N@H+](C)CCCN1[C@H](C)C[NH3+] 235436744 344750044 /nfs/dbraw/zinc/75/00/44/344750044.db2.gz FYVRHMIEXKPNRV-ZJUUUORDSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCO2)C1 235438982 344750064 /nfs/dbraw/zinc/75/00/64/344750064.db2.gz URZICWANNFCJKA-QWRGUYRKSA-N 2 1 198.310 0.836 10 0 ACAEMP C[C@H]1CN(C)CC[N@@H+]1[C@@H](C)[C@H](C)C[NH3+] 235438955 344750084 /nfs/dbraw/zinc/75/00/84/344750084.db2.gz SNJFIKRXZCAPRQ-VWYCJHECSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1[C@@H](C)[C@H](C)C[NH3+] 235438955 344750087 /nfs/dbraw/zinc/75/00/87/344750087.db2.gz SNJFIKRXZCAPRQ-VWYCJHECSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H]1C[N@H+](C)CCN1[C@@H](C)[C@H](C)C[NH3+] 235438955 344750088 /nfs/dbraw/zinc/75/00/88/344750088.db2.gz SNJFIKRXZCAPRQ-VWYCJHECSA-N 2 1 199.342 0.606 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]C1CCOCC1 235449021 344750094 /nfs/dbraw/zinc/75/00/94/344750094.db2.gz RPIGSMQXGSUZEG-SSDOTTSWSA-N 2 1 158.245 0.102 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@@H]1CC1(C)C 235459950 344750421 /nfs/dbraw/zinc/75/04/21/344750421.db2.gz WBLYHBRPABSJCY-RNFRBKRXSA-N 2 1 142.246 0.722 10 0 ACAEMP C[C@H]1C[N@H+](C)CC[C@@H]1N[C@H](C)C[NH3+] 235463620 344750486 /nfs/dbraw/zinc/75/04/86/344750486.db2.gz OEZXNSMQQLPFOA-AEJSXWLSSA-N 2 1 185.315 0.263 10 0 ACAEMP C[C@H]1C[C@H]1[NH2+][C@H](C)C[NH3+] 235460796 344750499 /nfs/dbraw/zinc/75/04/99/344750499.db2.gz IRWPUMLSOQSVAP-RRKCRQDMSA-N 2 1 128.219 0.332 10 0 ACAEMP C[C@@]1([NH2+]C[C@H]2CCC[NH2+]2)CCCOC1 235453089 344750523 /nfs/dbraw/zinc/75/05/23/344750523.db2.gz GHXVRNRTBLWJMM-GHMZBOCLSA-N 2 1 198.310 0.897 10 0 ACAEMP C[C@H]1C[C@@H]1[NH2+][C@H](C)C[NH3+] 235463990 344750526 /nfs/dbraw/zinc/75/05/26/344750526.db2.gz IRWPUMLSOQSVAP-XVMARJQXSA-N 2 1 128.219 0.332 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@@H]1C 235460556 344750532 /nfs/dbraw/zinc/75/05/32/344750532.db2.gz SKRKCDNMBQKSRJ-BWZBUEFSSA-N 2 1 158.245 0.101 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@H]1CCO[C@@H]1C 235463737 344750536 /nfs/dbraw/zinc/75/05/36/344750536.db2.gz SKRKCDNMBQKSRJ-PRJMDXOYSA-N 2 1 158.245 0.101 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@H]1CCCOC1 235463358 344750548 /nfs/dbraw/zinc/75/05/48/344750548.db2.gz NGNHXAXIZBMYMG-SFYZADRCSA-N 2 1 158.245 0.102 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCN1C1(C[NH3+])CC1 235465886 344750585 /nfs/dbraw/zinc/75/05/85/344750585.db2.gz XDOVEIIHJKTVAR-SECBINFHSA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCN1C(C)(C)C[NH3+] 235465623 344750607 /nfs/dbraw/zinc/75/06/07/344750607.db2.gz JTAXZVYOEHIJIW-SECBINFHSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@H]1C[N@H+](C)CC[C@H]1N[C@H](C)C[NH3+] 235460455 344750649 /nfs/dbraw/zinc/75/06/49/344750649.db2.gz OEZXNSMQQLPFOA-IVZWLZJFSA-N 2 1 185.315 0.263 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@H]1CC1(C)C 235463077 344750681 /nfs/dbraw/zinc/75/06/81/344750681.db2.gz WBLYHBRPABSJCY-RQJHMYQMSA-N 2 1 142.246 0.722 10 0 ACAEMP C[C@H]1C[N@H+](C)CCCN1C[C@H](C)C[NH3+] 235454102 344750710 /nfs/dbraw/zinc/75/07/10/344750710.db2.gz RYGROBCBXHZWLX-MNOVXSKESA-N 2 1 199.342 0.607 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@H]1CCSC1 235463798 344750718 /nfs/dbraw/zinc/75/07/18/344750718.db2.gz KAYBELRFCSEKLL-RQJHMYQMSA-N 2 1 160.286 0.429 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCSC1 235460223 344750729 /nfs/dbraw/zinc/75/07/29/344750729.db2.gz TXRNTUAFMOPPQC-HTQZYQBOSA-N 2 1 174.313 0.819 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@H]1CCCSC1 235463386 344750737 /nfs/dbraw/zinc/75/07/37/344750737.db2.gz TXRNTUAFMOPPQC-SFYZADRCSA-N 2 1 174.313 0.819 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCN1CCC(C)(C)[NH3+] 235472688 344751067 /nfs/dbraw/zinc/75/10/67/344751067.db2.gz FLVVERDQGOXOKT-SNVBAGLBSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H]1CN(C)CC[N@@H+]1CCC(C)(C)[NH3+] 235472688 344751069 /nfs/dbraw/zinc/75/10/69/344751069.db2.gz FLVVERDQGOXOKT-SNVBAGLBSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H]1CN(C)CC[N@H+]1CCC(C)(C)[NH3+] 235472688 344751071 /nfs/dbraw/zinc/75/10/71/344751071.db2.gz FLVVERDQGOXOKT-SNVBAGLBSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H](C[NH3+])Nc1ccc[nH+]c1N(C)C 235470101 344751126 /nfs/dbraw/zinc/75/11/26/344751126.db2.gz PEVCSEMWKBYGJE-MRVPVSSYSA-N 2 1 194.282 0.907 10 0 ACAEMP C[C@@]1(O)CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 235472737 344751147 /nfs/dbraw/zinc/75/11/47/344751147.db2.gz CHAWWSBPDNZMII-NXEZZACHSA-N 2 1 184.283 0.195 10 0 ACAEMP C[C@@]1(O)CC[N@H+]([C@@H]2CCC[NH2+]C2)C1 235472737 344751149 /nfs/dbraw/zinc/75/11/49/344751149.db2.gz CHAWWSBPDNZMII-NXEZZACHSA-N 2 1 184.283 0.195 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCN1CC1([NH3+])CCC1 235470924 344751210 /nfs/dbraw/zinc/75/12/10/344751210.db2.gz GCYPALJGCONTAQ-SNVBAGLBSA-N 2 1 197.326 0.504 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCN1CC1([NH3+])CC1 235470890 344751292 /nfs/dbraw/zinc/75/12/92/344751292.db2.gz YEWREGTXZBWMIN-SECBINFHSA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](C)O)C1 235495268 344751590 /nfs/dbraw/zinc/75/15/90/344751590.db2.gz FLZCHWSUNZTYBS-UTLUCORTSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@H]([NH3+])CN1CCC[N@@H+](C)C[C@@H]1C 235481888 344751602 /nfs/dbraw/zinc/75/16/02/344751602.db2.gz UUERFXAMHSYUBT-UWVGGRQHSA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CCN1C[C@H]1CCC[NH2+]1 235485283 344751652 /nfs/dbraw/zinc/75/16/52/344751652.db2.gz DPOFQWIMHDATDD-GHMZBOCLSA-N 2 1 197.326 0.374 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)N1CC[N@@H+](C)C[C@@H]1C 235492260 344751696 /nfs/dbraw/zinc/75/16/96/344751696.db2.gz WUUXYLWAUOQCOY-LPEHRKFASA-N 2 1 185.315 0.358 10 0 ACAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](C)O)C1 235495217 344751705 /nfs/dbraw/zinc/75/17/05/344751705.db2.gz RNCOWZBTPJOCJB-HRDYMLBCSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](C)O)C1 235494469 344751812 /nfs/dbraw/zinc/75/18/12/344751812.db2.gz FLZCHWSUNZTYBS-KXUCPTDWSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@H]([NH3+])[C@@H]1CCN(c2[nH]cc[nH+]2)C1 235509422 344752077 /nfs/dbraw/zinc/75/20/77/344752077.db2.gz YGIUTEWFHBJTIF-JGVFFNPUSA-N 2 1 180.255 0.583 10 0 ACAEMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](C)O)C1 235495874 344752109 /nfs/dbraw/zinc/75/21/09/344752109.db2.gz RNCOWZBTPJOCJB-VGMNWLOBSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H]([NH3+])[C@H]1CCN(c2[nH]cc[nH+]2)C1 235508370 344752297 /nfs/dbraw/zinc/75/22/97/344752297.db2.gz YGIUTEWFHBJTIF-YUMQZZPRSA-N 2 1 180.255 0.583 10 0 ACAEMP C[C@H](O)C[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 235535647 344752945 /nfs/dbraw/zinc/75/29/45/344752945.db2.gz LNVMKUXAEQMKDW-GKDVJIACSA-N 2 1 198.310 0.582 10 0 ACAEMP C[C@H](O)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C1 235536283 344753052 /nfs/dbraw/zinc/75/30/52/344753052.db2.gz ZKTKMOUBXUZPFF-AXFHLTTASA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)C1 235536283 344753055 /nfs/dbraw/zinc/75/30/55/344753055.db2.gz ZKTKMOUBXUZPFF-AXFHLTTASA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@H]1CCC[N@H+]1C1(C[NH3+])CC1 235556849 344754851 /nfs/dbraw/zinc/75/48/51/344754851.db2.gz JKDUCPXVXAHUNS-QMMMGPOBSA-N 2 1 154.257 0.962 10 0 ACAEMP C[C@H](O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235558910 344754864 /nfs/dbraw/zinc/75/48/64/344754864.db2.gz RRFUEWOPOWQLMM-XGEHTFHBSA-N 2 1 172.272 0.035 10 0 ACAEMP C[C@H](O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235558910 344754867 /nfs/dbraw/zinc/75/48/67/344754867.db2.gz RRFUEWOPOWQLMM-XGEHTFHBSA-N 2 1 172.272 0.035 10 0 ACAEMP C[C@H]1CC[N@@H+]1CC1([NH3+])CCC1 235561931 344755466 /nfs/dbraw/zinc/75/54/66/344755466.db2.gz DIXNMPXDUJFWHY-QMMMGPOBSA-N 2 1 154.257 0.962 10 0 ACAEMP C[C@H]1CC[N@H+]1CC1([NH3+])CCC1 235561931 344755468 /nfs/dbraw/zinc/75/54/68/344755468.db2.gz DIXNMPXDUJFWHY-QMMMGPOBSA-N 2 1 154.257 0.962 10 0 ACAEMP C[C@H](O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 235567991 344755781 /nfs/dbraw/zinc/75/57/81/344755781.db2.gz ZEHHPLAIVDMEIG-CIUDSAMLSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 235567019 344755866 /nfs/dbraw/zinc/75/58/66/344755866.db2.gz SEAFJOATQKKUGO-CIUDSAMLSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 235567019 344755867 /nfs/dbraw/zinc/75/58/67/344755867.db2.gz SEAFJOATQKKUGO-CIUDSAMLSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 235567830 344755995 /nfs/dbraw/zinc/75/59/95/344755995.db2.gz XYTNXGHAWKZPPE-HRDYMLBCSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 235567830 344755996 /nfs/dbraw/zinc/75/59/96/344755996.db2.gz XYTNXGHAWKZPPE-HRDYMLBCSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H](O)[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C1 235571354 344756343 /nfs/dbraw/zinc/75/63/43/344756343.db2.gz ZKTKMOUBXUZPFF-DCAQKATOSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@H](O)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)C1 235571354 344756346 /nfs/dbraw/zinc/75/63/46/344756346.db2.gz ZKTKMOUBXUZPFF-DCAQKATOSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1C(C)(C)C[NH3+] 235572679 344756531 /nfs/dbraw/zinc/75/65/31/344756531.db2.gz JTAXZVYOEHIJIW-VIFPVBQESA-N 2 1 185.315 0.360 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1C1CC([NH3+])C1 235573416 344756539 /nfs/dbraw/zinc/75/65/39/344756539.db2.gz DNEPXMGPHJGZRY-IDKOKCKLSA-N 2 1 183.299 0.112 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1C1(C[NH3+])CC1 235573018 344756550 /nfs/dbraw/zinc/75/65/50/344756550.db2.gz XDOVEIIHJKTVAR-VIFPVBQESA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@H]1C[N@H+](CC(C)(C)O)C[C@@H]1[NH3+] 235578254 344756815 /nfs/dbraw/zinc/75/68/15/344756815.db2.gz BSRDUJBOBSPYKH-YUMQZZPRSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H]1C[N@@H+](CC(C)(C)O)C[C@@H]1[NH3+] 235578254 344756818 /nfs/dbraw/zinc/75/68/18/344756818.db2.gz BSRDUJBOBSPYKH-YUMQZZPRSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@H]1C[C@@H]([NH3+])CCN1c1[nH]cc[nH+]1 235577441 344756896 /nfs/dbraw/zinc/75/68/96/344756896.db2.gz HYHBCTMBABLTMN-YUMQZZPRSA-N 2 1 180.255 0.726 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1CC1([NH3+])CC1 235576923 344756937 /nfs/dbraw/zinc/75/69/37/344756937.db2.gz YEWREGTXZBWMIN-VIFPVBQESA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1CC1([NH3+])CCC1 235576944 344757078 /nfs/dbraw/zinc/75/70/78/344757078.db2.gz GCYPALJGCONTAQ-JTQLQIEISA-N 2 1 197.326 0.504 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1CCC(C)(C)[NH3+] 235578372 344757088 /nfs/dbraw/zinc/75/70/88/344757088.db2.gz FLVVERDQGOXOKT-JTQLQIEISA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H]1CN(C)CC[N@@H+]1CCC(C)(C)[NH3+] 235578372 344757089 /nfs/dbraw/zinc/75/70/89/344757089.db2.gz FLVVERDQGOXOKT-JTQLQIEISA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H]1CN(C)CC[N@H+]1CCC(C)(C)[NH3+] 235578372 344757091 /nfs/dbraw/zinc/75/70/91/344757091.db2.gz FLVVERDQGOXOKT-JTQLQIEISA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H]1C[N@H+](CCC(C)(C)O)C[C@@H]1[NH3+] 235582286 344757480 /nfs/dbraw/zinc/75/74/80/344757480.db2.gz WPCMMNKIFNAMMR-IUCAKERBSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@H]1C[N@@H+](CCC(C)(C)O)C[C@@H]1[NH3+] 235582286 344757482 /nfs/dbraw/zinc/75/74/82/344757482.db2.gz WPCMMNKIFNAMMR-IUCAKERBSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@H]1C[N@H+](CCCF)C[C@@H]1[NH3+] 235593508 344758129 /nfs/dbraw/zinc/75/81/29/344758129.db2.gz NVIIUDIFRZFUKH-YUMQZZPRSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@H]1C[N@@H+](CCCF)C[C@@H]1[NH3+] 235593508 344758132 /nfs/dbraw/zinc/75/81/32/344758132.db2.gz NVIIUDIFRZFUKH-YUMQZZPRSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCN1C[C@H]1CCC[NH2+]1 235594451 344758308 /nfs/dbraw/zinc/75/83/08/344758308.db2.gz DPOFQWIMHDATDD-WDEREUQCSA-N 2 1 197.326 0.374 10 0 ACAEMP C[C@H]1C[C@H]([NH3+])CCN1c1[nH]cc[nH+]1 235594441 344758436 /nfs/dbraw/zinc/75/84/36/344758436.db2.gz HYHBCTMBABLTMN-JGVFFNPUSA-N 2 1 180.255 0.726 10 0 ACAEMP C[C@H]1OCC[C@@]1(C)[NH2+]CC[NH3+] 235597417 344758526 /nfs/dbraw/zinc/75/85/26/344758526.db2.gz WCGQGTMTTFYOMT-HTQZYQBOSA-N 2 1 158.245 0.102 10 0 ACAEMP C[C@H]1SCC[C@@H]1[NH2+]CC[NH3+] 235603198 344758769 /nfs/dbraw/zinc/75/87/69/344758769.db2.gz GJGNWJARLNZHKD-RQJHMYQMSA-N 2 1 160.286 0.429 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCCN1C1(C[NH3+])CC1 235607603 344759319 /nfs/dbraw/zinc/75/93/19/344759319.db2.gz RNJCHXZUGGATHY-JTQLQIEISA-N 2 1 197.326 0.504 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCCN1C(C)(C)C[NH3+] 235607094 344759365 /nfs/dbraw/zinc/75/93/65/344759365.db2.gz DWRLCVCLZIVUEY-JTQLQIEISA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@H]1SCC[C@@]1(C[NH3+])[NH+](C)C 235617992 344759593 /nfs/dbraw/zinc/75/95/93/344759593.db2.gz ASIDHNPEPWOOBZ-SFYZADRCSA-N 2 1 174.313 0.771 10 0 ACAEMP C[C@H]1CC[N@H+](C2(C[NH3+])CC2)C1 235622992 344760067 /nfs/dbraw/zinc/76/00/67/344760067.db2.gz IRVBBRUAAFDJDG-QMMMGPOBSA-N 2 1 154.257 0.820 10 0 ACAEMP C[C@H]1CCN(c2[nH]cc[nH+]2)C[C@@H]1[NH3+] 235629780 344760700 /nfs/dbraw/zinc/76/07/00/344760700.db2.gz OGCNTXAOZCXARM-YUMQZZPRSA-N 2 1 180.255 0.583 10 0 ACAEMP C[C@H]1OCC[C@]1(C)[NH2+]CC[NH3+] 235643433 344761032 /nfs/dbraw/zinc/76/10/32/344761032.db2.gz WCGQGTMTTFYOMT-SFYZADRCSA-N 2 1 158.245 0.102 10 0 ACAEMP C[C@H]1CN(C2(C[NH3+])CC2)C[C@@H](C)[N@H+]1C 235637953 344761103 /nfs/dbraw/zinc/76/11/03/344761103.db2.gz TTYJCBSQGUYFDS-AOOOYVTPSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@H]1C[N@H+](C2CCC2)C[C@@H]1[NH3+] 235639617 344761142 /nfs/dbraw/zinc/76/11/42/344761142.db2.gz YCHUMYVHHALVRB-CBAPKCEASA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H]1CN(C2(C[NH3+])CC2)CC[N@H+]1C 235637844 344761193 /nfs/dbraw/zinc/76/11/93/344761193.db2.gz ITPQIKSWXUDCSH-VIFPVBQESA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1[NH3+] 235640329 344761289 /nfs/dbraw/zinc/76/12/89/344761289.db2.gz PYKAXOTUCDDCKU-WPRPVWTQSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@H]1C[N@@H+](C)CCCN1C/C=C/C[NH3+] 235641472 344761309 /nfs/dbraw/zinc/76/13/09/344761309.db2.gz XMVGTTZTAOVAOU-UFFNRZRYSA-N 2 1 197.326 0.527 10 0 ACAEMP C[C@H]1CN(C)CCC[N@@H+]1C/C=C/C[NH3+] 235641472 344761311 /nfs/dbraw/zinc/76/13/11/344761311.db2.gz XMVGTTZTAOVAOU-UFFNRZRYSA-N 2 1 197.326 0.527 10 0 ACAEMP C[C@H]1CN(C)CCC[N@H+]1C/C=C/C[NH3+] 235641472 344761314 /nfs/dbraw/zinc/76/13/14/344761314.db2.gz XMVGTTZTAOVAOU-UFFNRZRYSA-N 2 1 197.326 0.527 10 0 ACAEMP C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1CO 235649776 344761742 /nfs/dbraw/zinc/76/17/42/344761742.db2.gz AUDOWLOTNNXRRI-GARJFASQSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1CO 235649776 344761744 /nfs/dbraw/zinc/76/17/44/344761744.db2.gz AUDOWLOTNNXRRI-GARJFASQSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@H]1SCC[C@H]1[NH2+]CC[NH3+] 235650654 344761863 /nfs/dbraw/zinc/76/18/63/344761863.db2.gz GJGNWJARLNZHKD-RNFRBKRXSA-N 2 1 160.286 0.429 10 0 ACAEMP C[C@H]1CN(c2[nH]cc[nH+]2)C[C@@H](C)[NH2+]1 235661224 344762123 /nfs/dbraw/zinc/76/21/23/344762123.db2.gz JLPITFQOQXZIKO-OCAPTIKFSA-N 2 1 180.255 0.596 10 0 ACAEMP C[C@H]1CN(c2[nH]cc[nH+]2)CC[C@@H]1[NH3+] 235661203 344762133 /nfs/dbraw/zinc/76/21/33/344762133.db2.gz CUZAZSKSWHIIIA-YUMQZZPRSA-N 2 1 180.255 0.583 10 0 ACAEMP C[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1[NH3+] 235669676 344762180 /nfs/dbraw/zinc/76/21/80/344762180.db2.gz HAAYZIKMEANKIR-ONGXEEELSA-N 2 1 198.310 0.692 10 0 ACAEMP C[C@H]1C[N@@H+](CC2CC2)C[C@@H]1[NH3+] 235668720 344762263 /nfs/dbraw/zinc/76/22/63/344762263.db2.gz DNEUKUDICURRHM-CBAPKCEASA-N 2 1 154.257 0.675 10 0 ACAEMP C[C@H]1CN(c2[nH]cc[nH+]2)C[C@H](C)[NH2+]1 235661267 344762369 /nfs/dbraw/zinc/76/23/69/344762369.db2.gz JLPITFQOQXZIKO-YUMQZZPRSA-N 2 1 180.255 0.596 10 0 ACAEMP C[C@H]1CN(c2[nH+]ccn2C)C[C@@H]1[NH3+] 235672947 344762719 /nfs/dbraw/zinc/76/27/19/344762719.db2.gz KNYNGQMXGSPNBZ-YUMQZZPRSA-N 2 1 180.255 0.204 10 0 ACAEMP C[C@H]1C[N@H+](C)CCCN1[C@H](C)C(N)=[NH2+] 235679221 344762858 /nfs/dbraw/zinc/76/28/58/344762858.db2.gz LDOXLOWPQPMGMH-DTWKUNHWSA-N 2 1 198.314 0.337 10 0 ACAEMP Cc1c[nH]c(N2CC[NH2+][C@@H](C)C2)[nH+]1 235701356 344763610 /nfs/dbraw/zinc/76/36/10/344763610.db2.gz FZKYZVOFQKIOAM-QMMMGPOBSA-N 2 1 180.255 0.516 10 0 ACAEMP Cc1c[nH]c(N2C[C@H](C)[C@@H]([NH3+])C2)[nH+]1 235701464 344763683 /nfs/dbraw/zinc/76/36/83/344763683.db2.gz PWEVNSGIWPDGIV-XPUUQOCRSA-N 2 1 180.255 0.502 10 0 ACAEMP Cc1c[nH]c(N2C[C@H](C)[NH2+][C@H](C)C2)[nH+]1 235701446 344763697 /nfs/dbraw/zinc/76/36/97/344763697.db2.gz ATIWWOZENNYDMP-DTORHVGOSA-N 2 1 194.282 0.905 10 0 ACAEMP C[C@]1([NH2+]CC[NH3+])CCCOC1 235705568 344764106 /nfs/dbraw/zinc/76/41/06/344764106.db2.gz JBVGQYPFOOZPPU-QMMMGPOBSA-N 2 1 158.245 0.104 10 0 ACAEMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCO2)C1 235707534 344764112 /nfs/dbraw/zinc/76/41/12/344764112.db2.gz URZICWANNFCJKA-WDEREUQCSA-N 2 1 198.310 0.836 10 0 ACAEMP C[C@]1([NH2+]C[C@@H]2CCC[NH2+]2)CCCOC1 235731237 344764932 /nfs/dbraw/zinc/76/49/32/344764932.db2.gz GHXVRNRTBLWJMM-QWRGUYRKSA-N 2 1 198.310 0.897 10 0 ACAEMP C[C@]1([NH2+]C[C@H]2CCC[NH2+]2)CCCOC1 235733923 344764956 /nfs/dbraw/zinc/76/49/56/344764956.db2.gz GHXVRNRTBLWJMM-MNOVXSKESA-N 2 1 198.310 0.897 10 0 ACAEMP C[C@]1(O)CC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 235769633 344765934 /nfs/dbraw/zinc/76/59/34/344765934.db2.gz MURNJQYCZGQWLC-AEJSXWLSSA-N 2 1 184.283 0.323 10 0 ACAEMP Cc1c[nH+]cn1C[C@H]1COCC[NH2+]1 235799642 344766968 /nfs/dbraw/zinc/76/69/68/344766968.db2.gz QGBMAYDHYIZATE-VIFPVBQESA-N 2 1 181.239 0.180 10 0 ACAEMP Cc1c[nH+]cn1C[C@@H]1COCC[NH2+]1 235799592 344766983 /nfs/dbraw/zinc/76/69/83/344766983.db2.gz QGBMAYDHYIZATE-SECBINFHSA-N 2 1 181.239 0.180 10 0 ACAEMP Cc1c[nH]c(N2CC[C@@H]([NH3+])C2)[nH+]1 235846535 344768746 /nfs/dbraw/zinc/76/87/46/344768746.db2.gz GQSLDGOTSCXCAO-SSDOTTSWSA-N 2 1 166.228 0.256 10 0 ACAEMP Cc1c[nH]c(N2CCC[NH2+]CC2)[nH+]1 235846106 344768791 /nfs/dbraw/zinc/76/87/91/344768791.db2.gz YQQRZIMGCZBIQL-UHFFFAOYSA-N 2 1 180.255 0.518 10 0 ACAEMP Cc1c[nH]c(N2CCC[C@H]2C[NH3+])[nH+]1 235846350 344768809 /nfs/dbraw/zinc/76/88/09/344768809.db2.gz BNSYWALXGSSROU-QMMMGPOBSA-N 2 1 180.255 0.646 10 0 ACAEMP Cc1c[nH]c(N2CCC[C@@H]([NH3+])C2)[nH+]1 235846202 344768832 /nfs/dbraw/zinc/76/88/32/344768832.db2.gz RCPXFSWYUGLFBE-MRVPVSSYSA-N 2 1 180.255 0.646 10 0 ACAEMP Cc1c[nH]c(N2CC[C@@H](C[NH3+])C2)[nH+]1 235846485 344768850 /nfs/dbraw/zinc/76/88/50/344768850.db2.gz HPEXAPKNLTVYHD-QMMMGPOBSA-N 2 1 180.255 0.503 10 0 ACAEMP Cc1c[nH]c(N2CCC(C[NH3+])CC2)[nH+]1 235845893 344768870 /nfs/dbraw/zinc/76/88/70/344768870.db2.gz LBUJLRSWVKLWGE-UHFFFAOYSA-N 2 1 194.282 0.893 10 0 ACAEMP Cc1cn(C)c(N2CC[C@@H]([NH3+])C2)[nH+]1 235937022 344769953 /nfs/dbraw/zinc/76/99/53/344769953.db2.gz INTHTFGVTDNRDV-MRVPVSSYSA-N 2 1 180.255 0.266 10 0 ACAEMP Cc1c[nH]c(N2C[C@@H]3C[NH2+]C[C@@H]3C2)[nH+]1 235977052 344771506 /nfs/dbraw/zinc/77/15/06/344771506.db2.gz BFRVHWNVTHDYQZ-DTORHVGOSA-N 2 1 192.266 0.374 10 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JTMRUGFCXIBLHF-RKDXNWHRSA-N 2 1 172.272 0.302 10 0 ACAEMP CC[N@@H+](C)C[C@]1(C)COC[C@H]1[NH3+] 249915036 344828777 /nfs/dbraw/zinc/82/87/77/344828777.db2.gz JTMRUGFCXIBLHF-RKDXNWHRSA-N 2 1 172.272 0.302 10 0 ACAEMP CCC[N@@H+]1C[C@H](C[NH3+])OC[C@H]1C 250055798 344829189 /nfs/dbraw/zinc/82/91/89/344829189.db2.gz WUOPOMZTQICDDW-BDAKNGLRSA-N 2 1 172.272 0.444 10 0 ACAEMP CCC[N@H+]1C[C@H](C[NH3+])OC[C@H]1C 250055798 344829191 /nfs/dbraw/zinc/82/91/91/344829191.db2.gz WUOPOMZTQICDDW-BDAKNGLRSA-N 2 1 172.272 0.444 10 0 ACAEMP CC[N@@H+](C)[C@H](C)[C@H](C)[NH3+] 249992417 344829316 /nfs/dbraw/zinc/82/93/16/344829316.db2.gz NDOJHIGLENTCPB-NKWVEPMBSA-N 2 1 130.235 0.674 10 0 ACAEMP C[N@H+](CC[NH3+])[C@@H]1CCCCC[C@H]1O 250021956 344829374 /nfs/dbraw/zinc/82/93/74/344829374.db2.gz YPFLROGVCVOOTQ-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP C[N@@H+](CC[NH3+])[C@@H]1CCCCC[C@H]1O 250021956 344829375 /nfs/dbraw/zinc/82/93/75/344829375.db2.gz YPFLROGVCVOOTQ-NXEZZACHSA-N 2 1 186.299 0.571 10 0 ACAEMP CCC[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 250072555 344829419 /nfs/dbraw/zinc/82/94/19/344829419.db2.gz ZGTXLPWOOSVEHG-GUBZILKMSA-N 2 1 168.284 0.936 10 0 ACAEMP CC[N@@H+](C)[C@@H](C)[C@H](C)[NH3+] 249992412 344829450 /nfs/dbraw/zinc/82/94/50/344829450.db2.gz NDOJHIGLENTCPB-BQBZGAKWSA-N 2 1 130.235 0.674 10 0 ACAEMP CCC[N@@H+]1C[C@@H](C[NH3+])OC[C@H]1C 250055805 344829560 /nfs/dbraw/zinc/82/95/60/344829560.db2.gz WUOPOMZTQICDDW-RKDXNWHRSA-N 2 1 172.272 0.444 10 0 ACAEMP CCC[N@H+]1C[C@@H](C[NH3+])OC[C@H]1C 250055805 344829562 /nfs/dbraw/zinc/82/95/62/344829562.db2.gz WUOPOMZTQICDDW-RKDXNWHRSA-N 2 1 172.272 0.444 10 0 ACAEMP C[N@H+](CC[NH3+])[C@H]1CCCCC[C@H]1O 250021961 344829595 /nfs/dbraw/zinc/82/95/95/344829595.db2.gz YPFLROGVCVOOTQ-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP C[N@@H+](CC[NH3+])[C@H]1CCCCC[C@H]1O 250021961 344829597 /nfs/dbraw/zinc/82/95/97/344829597.db2.gz YPFLROGVCVOOTQ-VHSXEESVSA-N 2 1 186.299 0.571 10 0 ACAEMP CC[N@@H+](C)[C@H]1CC[C@H]1C[NH3+] 250100698 344829949 /nfs/dbraw/zinc/82/99/49/344829949.db2.gz YYJJDMINFJXHDA-YUMQZZPRSA-N 2 1 142.246 0.675 10 0 ACAEMP CCC[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 250073266 344830096 /nfs/dbraw/zinc/83/00/96/344830096.db2.gz ZGTXLPWOOSVEHG-UTLUCORTSA-N 2 1 168.284 0.936 10 0 ACAEMP CCN([C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH2+]C1 250089942 344830120 /nfs/dbraw/zinc/83/01/20/344830120.db2.gz WNGXCGIXTWZAOY-MNOVXSKESA-N 2 1 197.326 0.374 10 0 ACAEMP CCN([C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C)C1 250089947 344830133 /nfs/dbraw/zinc/83/01/33/344830133.db2.gz WNGXCGIXTWZAOY-QWRGUYRKSA-N 2 1 197.326 0.374 10 0 ACAEMP COCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 250163303 344830583 /nfs/dbraw/zinc/83/05/83/344830583.db2.gz GBRWLNGNOWFRBD-WDEREUQCSA-N 2 1 198.310 0.707 10 0 ACAEMP CC[N@H+]1CCN(C(C)(C)C[NH3+])C[C@H]1C 250215313 344830688 /nfs/dbraw/zinc/83/06/88/344830688.db2.gz DCEKYAGGTMPBLK-SNVBAGLBSA-N 2 1 199.342 0.750 10 0 ACAEMP CC[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]2C1 250233641 344831130 /nfs/dbraw/zinc/83/11/30/344831130.db2.gz GLTONSGDKUVRCW-IUCAKERBSA-N 2 1 154.257 0.548 10 0 ACAEMP CC[N@H+]1C[C@H]([NH3+])CC[C@H]1C 250244232 344831134 /nfs/dbraw/zinc/83/11/34/344831134.db2.gz HTRGBGWMLMLVNT-HTQZYQBOSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 250244238 344831150 /nfs/dbraw/zinc/83/11/50/344831150.db2.gz HTRGBGWMLMLVNT-SFYZADRCSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 250257206 344831255 /nfs/dbraw/zinc/83/12/55/344831255.db2.gz JGPFTENBHPLVNZ-HTQZYQBOSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 250314879 344831620 /nfs/dbraw/zinc/83/16/20/344831620.db2.gz MISIOWVQOKRPQS-VGMNWLOBSA-N 2 1 154.257 0.546 10 0 ACAEMP CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 250314877 344831639 /nfs/dbraw/zinc/83/16/39/344831639.db2.gz MISIOWVQOKRPQS-HRDYMLBCSA-N 2 1 154.257 0.546 10 0 ACAEMP CN(C)[C@@]1(C[NH3+])CC[N@H+]2CCC[C@H]2C1 250343730 344832067 /nfs/dbraw/zinc/83/20/67/344832067.db2.gz DUMDEWGMVYGPED-QWRGUYRKSA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@H+](C1CCCC1)[C@@H]1COCC[C@H]1[NH3+] 250356446 344832091 /nfs/dbraw/zinc/83/20/91/344832091.db2.gz BZALRPOZMGGPNB-GHMZBOCLSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+](C1CCCC1)[C@@H]1COCC[C@H]1[NH3+] 250356446 344832094 /nfs/dbraw/zinc/83/20/94/344832094.db2.gz BZALRPOZMGGPNB-GHMZBOCLSA-N 2 1 198.310 0.977 10 0 ACAEMP CC[N@H+]1CCN([C@H](C)C[NH3+])C[C@@H]1C 250355489 344832185 /nfs/dbraw/zinc/83/21/85/344832185.db2.gz SBDSGGSZLXFWHX-ZJUUUORDSA-N 2 1 185.315 0.360 10 0 ACAEMP CN(C)[C@]1(C[NH3+])CC[N@H+]2CCC[C@H]2C1 250343732 344832239 /nfs/dbraw/zinc/83/22/39/344832239.db2.gz DUMDEWGMVYGPED-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCC[C@H]1[NH3+] 250350960 344832247 /nfs/dbraw/zinc/83/22/47/344832247.db2.gz AKVTYURNNNILEO-HBNTYKKESA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCC[C@H]1[NH3+] 250350960 344832248 /nfs/dbraw/zinc/83/22/48/344832248.db2.gz AKVTYURNNNILEO-HBNTYKKESA-N 2 1 198.310 0.977 10 0 ACAEMP CC[N@H+]1CCN([C@H](C)C[NH3+])C[C@H]1C 250355483 344832288 /nfs/dbraw/zinc/83/22/88/344832288.db2.gz SBDSGGSZLXFWHX-NXEZZACHSA-N 2 1 185.315 0.360 10 0 ACAEMP C[N@H+](C[C@@H]1CCCO1)[C@H]1CCC[C@H]1[NH3+] 250350951 344832291 /nfs/dbraw/zinc/83/22/91/344832291.db2.gz AKVTYURNNNILEO-AXFHLTTASA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCC[C@H]1[NH3+] 250350951 344832292 /nfs/dbraw/zinc/83/22/92/344832292.db2.gz AKVTYURNNNILEO-AXFHLTTASA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+]([C@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCOC1 250372557 344832687 /nfs/dbraw/zinc/83/26/87/344832687.db2.gz HOJZKRXOQWZIAC-VWYCJHECSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@H+]([C@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCOC1 250372557 344832689 /nfs/dbraw/zinc/83/26/89/344832689.db2.gz HOJZKRXOQWZIAC-VWYCJHECSA-N 2 1 198.310 0.977 10 0 ACAEMP CN(C)[C@@H]1CC[N@@H+]([C@H]2CC[C@@H]2C[NH3+])C1 250365556 344832710 /nfs/dbraw/zinc/83/27/10/344832710.db2.gz XONQMTQMSIMQTC-MXWKQRLJSA-N 2 1 197.326 0.360 10 0 ACAEMP CN(C)[C@@H]1CC[N@H+]([C@H]2CC[C@@H]2C[NH3+])C1 250365556 344832713 /nfs/dbraw/zinc/83/27/13/344832713.db2.gz XONQMTQMSIMQTC-MXWKQRLJSA-N 2 1 197.326 0.360 10 0 ACAEMP C[N@@H+]([C@H]1CCCC[C@H]1[NH3+])[C@@H]1CCOC1 250372555 344832727 /nfs/dbraw/zinc/83/27/27/344832727.db2.gz HOJZKRXOQWZIAC-MXWKQRLJSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@H+]([C@H]1CCCC[C@H]1[NH3+])[C@@H]1CCOC1 250372555 344832730 /nfs/dbraw/zinc/83/27/30/344832730.db2.gz HOJZKRXOQWZIAC-MXWKQRLJSA-N 2 1 198.310 0.977 10 0 ACAEMP C[N@@H+](C1CC1)[C@@H]1CC[C@H]1C[NH3+] 250366184 344832752 /nfs/dbraw/zinc/83/27/52/344832752.db2.gz GBOIQVVOBUWADZ-IONNQARKSA-N 2 1 154.257 0.818 10 0 ACAEMP CN(C)[C@@H]1CC[N@@H+]([C@H]2CC[C@H]2C[NH3+])C1 250365550 344832760 /nfs/dbraw/zinc/83/27/60/344832760.db2.gz XONQMTQMSIMQTC-AXFHLTTASA-N 2 1 197.326 0.360 10 0 ACAEMP CN(C)[C@@H]1CC[N@H+]([C@H]2CC[C@H]2C[NH3+])C1 250365550 344832762 /nfs/dbraw/zinc/83/27/62/344832762.db2.gz XONQMTQMSIMQTC-AXFHLTTASA-N 2 1 197.326 0.360 10 0 ACAEMP CC[N@H+]1CCCN([C@H](C)C[NH3+])CC1 250366683 344832829 /nfs/dbraw/zinc/83/28/29/344832829.db2.gz UYGGTNPWHOPBMK-SNVBAGLBSA-N 2 1 185.315 0.361 10 0 ACAEMP C[N@@H+](C1CC1)[C@H]1CC[C@H]1C[NH3+] 250366183 344832836 /nfs/dbraw/zinc/83/28/36/344832836.db2.gz GBOIQVVOBUWADZ-CBAPKCEASA-N 2 1 154.257 0.818 10 0 ACAEMP C[N@H+]([C@H]1CCC[NH2+]CC1)[C@H]1CCOC1 250364848 344832846 /nfs/dbraw/zinc/83/28/46/344832846.db2.gz FPKZKCNXCIDLCJ-QWRGUYRKSA-N 2 1 198.310 0.849 10 0 ACAEMP C[N@@H+](C[C@@H]1C=C[C@@H]([NH3+])C1)[C@H]1CCOC1 250404646 344833229 /nfs/dbraw/zinc/83/32/29/344833229.db2.gz MUWOYBWJDWGLAK-MXWKQRLJSA-N 2 1 196.294 0.611 10 0 ACAEMP C[N@H+](C1CC[NH2+]CC1)[C@@H]1CCC[C@H]1O 250443680 344833576 /nfs/dbraw/zinc/83/35/76/344833576.db2.gz UJOBGCWONLLOEW-GHMZBOCLSA-N 2 1 198.310 0.584 10 0 ACAEMP C[N@H+](C1CCOCC1)[C@H]1CC[C@H]1C[NH3+] 250448143 344833600 /nfs/dbraw/zinc/83/36/00/344833600.db2.gz VBMYODROFBTBLU-ONGXEEELSA-N 2 1 198.310 0.835 10 0 ACAEMP C[N@@H+](C1CC1)[C@H]1CCC[C@H]1[NH3+] 250442552 344833682 /nfs/dbraw/zinc/83/36/82/344833682.db2.gz UBGOACAHBBFKOK-BDAKNGLRSA-N 2 1 154.257 0.960 10 0 ACAEMP CC(C)[N@H+](C)C[C@@]1(C)COC[C@H]1[NH3+] 250492345 344834492 /nfs/dbraw/zinc/83/44/92/344834492.db2.gz HORKCFBXOSZCAB-ZJUUUORDSA-N 2 1 186.299 0.690 10 0 ACAEMP CC(C)[N@@H+](C)C[C@@]1(C)COC[C@H]1[NH3+] 250492345 344834493 /nfs/dbraw/zinc/83/44/93/344834493.db2.gz HORKCFBXOSZCAB-ZJUUUORDSA-N 2 1 186.299 0.690 10 0 ACAEMP COC[C@@H]1CC[N@@H+]([C@H]2CCC[NH2+]C2)C1 250477199 344834510 /nfs/dbraw/zinc/83/45/10/344834510.db2.gz UKURICYNUBOPOW-MNOVXSKESA-N 2 1 198.310 0.707 10 0 ACAEMP COC[C@@H]1CC[N@H+]([C@H]2CCC[NH2+]C2)C1 250477199 344834511 /nfs/dbraw/zinc/83/45/11/344834511.db2.gz UKURICYNUBOPOW-MNOVXSKESA-N 2 1 198.310 0.707 10 0 ACAEMP COC[C@H]1CC[N@@H+]([C@H]2CCC[NH2+]C2)C1 250477201 344834670 /nfs/dbraw/zinc/83/46/70/344834670.db2.gz UKURICYNUBOPOW-QWRGUYRKSA-N 2 1 198.310 0.707 10 0 ACAEMP COC[C@H]1CC[N@H+]([C@H]2CCC[NH2+]C2)C1 250477201 344834671 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COHRZUXUNLOTBG-SNVBAGLBSA-N 2 1 198.310 0.252 10 0 ACAEMP C[N@H+]1CCC[C@@H](C[NH+]2CC(CO)C2)C1 306648505 345516533 /nfs/dbraw/zinc/51/65/33/345516533.db2.gz COHRZUXUNLOTBG-SNVBAGLBSA-N 2 1 198.310 0.252 10 0 ACAEMP C[N@H+]1CCC[C@H](CN2CC(CO)C2)C1 306648503 345516651 /nfs/dbraw/zinc/51/66/51/345516651.db2.gz COHRZUXUNLOTBG-JTQLQIEISA-N 2 1 198.310 0.252 10 0 ACAEMP C[N@H+]1CCC[C@H](C[NH+]2CC(CO)C2)C1 306648503 345516657 /nfs/dbraw/zinc/51/66/57/345516657.db2.gz COHRZUXUNLOTBG-JTQLQIEISA-N 2 1 198.310 0.252 10 0 ACAEMP C[C@@H]([C@@H](C)O)[N@H+]1CC[NH2+]C[C@@H](C)C1 306652013 345518928 /nfs/dbraw/zinc/51/89/28/345518928.db2.gz CHQGMGGYLDCXOF-KXUCPTDWSA-N 2 1 186.299 0.297 10 0 ACAEMP C[C@@H]1C[NH2+]CC[N@H+]([C@H](C)[C@@H](C)O)C1 306652015 345519125 /nfs/dbraw/zinc/51/91/25/345519125.db2.gz CHQGMGGYLDCXOF-OPRDCNLKSA-N 2 1 186.299 0.297 10 0 ACAEMP C[C@H](O)[C@@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 306652011 345519173 /nfs/dbraw/zinc/51/91/73/345519173.db2.gz CHQGMGGYLDCXOF-BBBLOLIVSA-N 2 1 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C[NH+]1CC[C@H]2C[N@@H+](CCC[NH3+])C[C@@H]2C1 307187335 345875176 /nfs/dbraw/zinc/87/51/76/345875176.db2.gz OSWYYVFGHITEIC-QWRGUYRKSA-N 3 1 197.326 0.219 10 0 ACAEMP C[N@@H+]1CC[C@H]2CN(CCC[NH3+])C[C@@H]2C1 307187335 345875178 /nfs/dbraw/zinc/87/51/78/345875178.db2.gz OSWYYVFGHITEIC-QWRGUYRKSA-N 2 1 197.326 0.219 10 0 ACAEMP C[N@H+]1CC[C@H]2CN(CCC[NH3+])C[C@@H]2C1 307187335 345875181 /nfs/dbraw/zinc/87/51/81/345875181.db2.gz OSWYYVFGHITEIC-QWRGUYRKSA-N 2 1 197.326 0.219 10 0 ACAEMP C[C@H]1COCCC[N@H+]1C1CC([NH3+])C1 307192836 345878306 /nfs/dbraw/zinc/87/83/06/345878306.db2.gz DKQZEPPHFAZBIJ-IDKOKCKLSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1COCCC[N@H+]1C1CC([NH3+])C1 307192837 345878335 /nfs/dbraw/zinc/87/83/35/345878335.db2.gz DKQZEPPHFAZBIJ-XNWIYYODSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1CSC[C@@H]1[N@H+](C)CCN 307199395 345884304 /nfs/dbraw/zinc/88/43/04/345884304.db2.gz ZLUKFLBAPKUDGQ-SFYZADRCSA-N 2 1 174.313 0.628 10 0 ACAEMP C[C@@H]1CSC[C@@H]1[N@@H+](C)CCN 307199395 345884307 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174.313 0.628 10 0 ACAEMP C[C@H]1CSC[C@H]1[N@@H+](C)CCN 307199394 345884589 /nfs/dbraw/zinc/88/45/89/345884589.db2.gz ZLUKFLBAPKUDGQ-JGVFFNPUSA-N 2 1 174.313 0.628 10 0 ACAEMP C[C@H]1CSC[C@H]1[N@H+](C)CC[NH3+] 307199394 345884593 /nfs/dbraw/zinc/88/45/93/345884593.db2.gz ZLUKFLBAPKUDGQ-JGVFFNPUSA-N 2 1 174.313 0.628 10 0 ACAEMP C[C@H]1CSC[C@H]1[N@@H+](C)CC[NH3+] 307199394 345884595 /nfs/dbraw/zinc/88/45/95/345884595.db2.gz ZLUKFLBAPKUDGQ-JGVFFNPUSA-N 2 1 174.313 0.628 10 0 ACAEMP C[C@H]1CSC[C@@H]1[N@H+](C)CCN 307199396 345884754 /nfs/dbraw/zinc/88/47/54/345884754.db2.gz ZLUKFLBAPKUDGQ-YUMQZZPRSA-N 2 1 174.313 0.628 10 0 ACAEMP C[C@H]1CSC[C@@H]1[N@@H+](C)CCN 307199396 345884757 /nfs/dbraw/zinc/88/47/57/345884757.db2.gz ZLUKFLBAPKUDGQ-YUMQZZPRSA-N 2 1 174.313 0.628 10 0 ACAEMP C[C@H]1CSC[C@@H]1[N@H+](C)CC[NH3+] 307199396 345884759 /nfs/dbraw/zinc/88/47/59/345884759.db2.gz ZLUKFLBAPKUDGQ-YUMQZZPRSA-N 2 1 174.313 0.628 10 0 ACAEMP C[C@H]1CSC[C@@H]1[N@@H+](C)CC[NH3+] 307199396 345884761 /nfs/dbraw/zinc/88/47/61/345884761.db2.gz ZLUKFLBAPKUDGQ-YUMQZZPRSA-N 2 1 174.313 0.628 10 0 ACAEMP C[C@H]1COCCC[N@@H+]1CC(C)(C)[NH3+] 307200061 345885081 /nfs/dbraw/zinc/88/50/81/345885081.db2.gz BYIPFUWNYKYBRH-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@H]1COCCC[N@H+]1CC(C)(C)[NH3+] 307200061 345885086 /nfs/dbraw/zinc/88/50/86/345885086.db2.gz BYIPFUWNYKYBRH-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@@H]1COCCC[N@@H+]1CC(C)(C)[NH3+] 307200054 345885213 /nfs/dbraw/zinc/88/52/13/345885213.db2.gz BYIPFUWNYKYBRH-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP C[C@@H]1COCCC[N@H+]1CC(C)(C)[NH3+] 307200054 345885215 /nfs/dbraw/zinc/88/52/15/345885215.db2.gz BYIPFUWNYKYBRH-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[C@@H]1C[N@H+](C2CC([NH3+])C2)C[C@@H]1O 307200760 345885643 /nfs/dbraw/zinc/88/56/43/345885643.db2.gz ZGRDQIRUNHOZSJ-WOOKNIGNSA-N 2 1 184.283 0.179 10 0 ACAEMP CC[C@H]1C[N@H+](C2CC([NH3+])C2)C[C@H]1O 307200753 345885742 /nfs/dbraw/zinc/88/57/42/345885742.db2.gz 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CC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 307214251 345896095 /nfs/dbraw/zinc/89/60/95/345896095.db2.gz RNZUDKWMEXIVDP-HTQZYQBOSA-N 2 1 142.246 0.736 10 0 ACAEMP CC1(C)[C@H]2C[N@H+]([C@H]3CC[NH2+]C3)C[C@H]21 307215350 345896579 /nfs/dbraw/zinc/89/65/79/345896579.db2.gz SKERZMGIVHCDNL-LPEHRKFASA-N 2 1 180.295 0.936 10 0 ACAEMP CC1(C)[C@H]2C[N@H+]([C@@H]3CC[NH2+]C3)C[C@H]21 307215348 345896611 /nfs/dbraw/zinc/89/66/11/345896611.db2.gz SKERZMGIVHCDNL-BBBLOLIVSA-N 2 1 180.295 0.936 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@H]2C[C@H]2C1 307216019 345896996 /nfs/dbraw/zinc/89/69/96/345896996.db2.gz FFLACOGCMSJFOU-XSPKLOCKSA-N 2 1 154.257 0.674 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)[N@@H+]1C[C@H]2C[C@H]2C1 307216018 345897322 /nfs/dbraw/zinc/89/73/22/345897322.db2.gz FFLACOGCMSJFOU-UYXSQOIJSA-N 2 1 154.257 0.674 10 0 ACAEMP C[C@H]([NH3+])[C@H]1C[C@@H]1c1[nH+]ccn1C 307216706 345897616 /nfs/dbraw/zinc/89/76/16/345897616.db2.gz UGKRYOGWFMHTEX-RNJXMRFFSA-N 2 1 165.240 0.871 10 0 ACAEMP 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307230701 345907534 /nfs/dbraw/zinc/90/75/34/345907534.db2.gz ASCFPIDMGCXRNE-PRJMDXOYSA-N 2 1 142.246 0.579 10 0 ACAEMP CCN1C(N)=[NH+]C[C@@]12CC[N@@H+](CC)C2 307230944 345907581 /nfs/dbraw/zinc/90/75/81/345907581.db2.gz OCJXCDGYPCDUOG-SNVBAGLBSA-N 2 1 196.298 0.101 10 0 ACAEMP C[C@H]1[C@H](C)C[C@H]1[NH2+]CC[NH3+] 307230700 345907721 /nfs/dbraw/zinc/90/77/21/345907721.db2.gz ASCFPIDMGCXRNE-GJMOJQLCSA-N 2 1 142.246 0.579 10 0 ACAEMP C[C@@H]1[C@@H]([NH2+]CC[NH3+])C[C@H]1C 307230699 345907749 /nfs/dbraw/zinc/90/77/49/345907749.db2.gz ASCFPIDMGCXRNE-CSMHCCOUSA-N 2 1 142.246 0.579 10 0 ACAEMP C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(N)=[NH2+] 307232906 345909774 /nfs/dbraw/zinc/90/97/74/345909774.db2.gz LVFLFKJUMYWNIU-SFYZADRCSA-N 2 1 182.271 0.048 10 0 ACAEMP C[NH2+][C@@](C)(C[NH3+])C1CCC1 307232529 345909789 /nfs/dbraw/zinc/90/97/89/345909789.db2.gz CJOKMESRWAWBPJ-QMMMGPOBSA-N 2 1 142.246 0.723 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+]1CCC[C@H](O)CC1 307234098 345910796 /nfs/dbraw/zinc/91/07/96/345910796.db2.gz FDIXPVKJSXHQGR-UWVGGRQHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+]1CCC[C@@H](O)CC1 307234099 345910815 /nfs/dbraw/zinc/91/08/15/345910815.db2.gz FDIXPVKJSXHQGR-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+]1CC[C@@H](O)C1 307234311 345910867 /nfs/dbraw/zinc/91/08/67/345910867.db2.gz RTRYXOOOILYVJM-BBBLOLIVSA-N 2 1 184.283 0.051 10 0 ACAEMP C[C@H](C[NH3+])C[N@H+]1CCC[C@H](O)CC1 307234100 345910895 /nfs/dbraw/zinc/91/08/95/345910895.db2.gz FDIXPVKJSXHQGR-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@H](C[NH3+])C[N@H+]1CCC[C@@H](O)CC1 307234097 345910917 /nfs/dbraw/zinc/91/09/17/345910917.db2.gz FDIXPVKJSXHQGR-NXEZZACHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@H]1COCC[C@H]1[N@@H+](C)C1CC([NH3+])C1 307234358 345910944 /nfs/dbraw/zinc/91/09/44/345910944.db2.gz FHBWRGYWWIBMLP-IDWGSYCQSA-N 2 1 198.310 0.833 10 0 ACAEMP C[C@@H]1COCC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 307234370 345910964 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[NH3+]Cc1noc([C@@H]2CC[C@H]([NH3+])C2)n1 307265594 345934955 /nfs/dbraw/zinc/93/49/55/345934955.db2.gz YLVDCBOOBIYFSV-RITPCOANSA-N 2 1 182.227 0.123 10 0 ACAEMP [NH3+]Cc1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 307265593 345935018 /nfs/dbraw/zinc/93/50/18/345935018.db2.gz YLVDCBOOBIYFSV-PHDIDXHHSA-N 2 1 182.227 0.123 10 0 ACAEMP [NH3+]Cc1noc([C@H]2CC[C@@H]([NH3+])C2)n1 307265592 345935069 /nfs/dbraw/zinc/93/50/69/345935069.db2.gz YLVDCBOOBIYFSV-NTSWFWBYSA-N 2 1 182.227 0.123 10 0 ACAEMP [NH3+]Cc1noc([C@H]2CC[C@H]([NH3+])C2)n1 307265595 345935109 /nfs/dbraw/zinc/93/51/09/345935109.db2.gz YLVDCBOOBIYFSV-WDSKDSINSA-N 2 1 182.227 0.123 10 0 ACAEMP C[N@@H+](C1CC([NH3+])C1)[C@@H]1CCCOC1 307266457 345935522 /nfs/dbraw/zinc/93/55/22/345935522.db2.gz DFSCEGZYAKSGKL-HWOCKDDLSA-N 2 1 184.283 0.587 10 0 ACAEMP C[N@@H+](C1CC([NH3+])C1)[C@H]1CCCOC1 307266463 345935756 /nfs/dbraw/zinc/93/57/56/345935756.db2.gz DFSCEGZYAKSGKL-KYHHOPLUSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@H]1C[NH2+]CC[N@@H+](C2CSC2)C1 307271511 345938425 /nfs/dbraw/zinc/93/84/25/345938425.db2.gz NMTWPUKXAVPOCD-QMMMGPOBSA-N 2 1 186.324 0.643 10 0 ACAEMP C[C@H]1C[NH2+]CC[N@H+](C2CSC2)C1 307271511 345938428 /nfs/dbraw/zinc/93/84/28/345938428.db2.gz NMTWPUKXAVPOCD-QMMMGPOBSA-N 2 1 186.324 0.643 10 0 ACAEMP CCn1c(N)[nH+]c2c1CC[N@@H+](C)C2 307273436 345939726 /nfs/dbraw/zinc/93/97/26/345939726.db2.gz JCHIALIBFXWFSP-UHFFFAOYSA-N 2 1 180.255 0.473 10 0 ACAEMP C[C@@]1(O)CCC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 307273009 345939719 /nfs/dbraw/zinc/93/97/19/345939719.db2.gz HHBYNSLWZYHGHJ-KXUCPTDWSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@@]1(O)CCC[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 307273009 345939720 /nfs/dbraw/zinc/93/97/20/345939720.db2.gz HHBYNSLWZYHGHJ-KXUCPTDWSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1O 307278887 345943482 /nfs/dbraw/zinc/94/34/82/345943482.db2.gz VOJDHBSTDNFUDD-RGOKHQFPSA-N 2 1 184.283 0.179 10 0 ACAEMP CC[NH2+]C[C@@H]1C[C@H](C)[N@@H+](C)C1 307279476 345943462 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/nfs/dbraw/zinc/94/69/05/345946905.db2.gz NTUCJHSYCQWHOJ-VHSXEESVSA-N 2 1 183.299 0.019 10 0 ACAEMP [NH3+][C@H]1CC[C@@H](CN2CC[NH2+]CC2)C1 307285057 345947011 /nfs/dbraw/zinc/94/70/11/345947011.db2.gz NTUCJHSYCQWHOJ-ZJUUUORDSA-N 2 1 183.299 0.019 10 0 ACAEMP [NH3+][C@H]1CC[C@H](CN2CC[NH2+]CC2)C1 307285055 345947197 /nfs/dbraw/zinc/94/71/97/345947197.db2.gz NTUCJHSYCQWHOJ-UWVGGRQHSA-N 2 1 183.299 0.019 10 0 ACAEMP [NH3+][C@@H]1CC[C@@H](CN2CC[NH2+]CC2)C1 307285054 345947274 /nfs/dbraw/zinc/94/72/74/345947274.db2.gz NTUCJHSYCQWHOJ-NXEZZACHSA-N 2 1 183.299 0.019 10 0 ACAEMP C[C@H]1CN([C@H]2C[N@H+](C)C[C@H]2C)CC[NH2+]1 307285641 345947674 /nfs/dbraw/zinc/94/76/74/345947674.db2.gz OUTUQOSLCJDZNA-VWYCJHECSA-N 2 1 197.326 0.230 10 0 ACAEMP C[C@H]1CN([C@@H]2C[N@H+](C)C[C@H]2C)CC[NH2+]1 307285640 345947683 /nfs/dbraw/zinc/94/76/83/345947683.db2.gz OUTUQOSLCJDZNA-OUAUKWLOSA-N 2 1 197.326 0.230 10 0 ACAEMP C[C@H]1CN([C@H]2C[N@H+](C)C[C@@H]2C)CC[NH2+]1 307285638 345947774 /nfs/dbraw/zinc/94/77/74/345947774.db2.gz OUTUQOSLCJDZNA-DCAQKATOSA-N 2 1 197.326 0.230 10 0 ACAEMP C[C@H]1CN([C@@H]2C[N@H+](C)C[C@@H]2C)CC[NH2+]1 307285639 345947828 /nfs/dbraw/zinc/94/78/28/345947828.db2.gz OUTUQOSLCJDZNA-GARJFASQSA-N 2 1 197.326 0.230 10 0 ACAEMP C[C@@H]1CC[C@]1(C[NH3+])[NH+]1CCC1 307288570 345949124 /nfs/dbraw/zinc/94/91/24/345949124.db2.gz COIRHNMCZVZHAT-RKDXNWHRSA-N 2 1 154.257 0.820 10 0 ACAEMP CC1(C)[C@H](O)CC[N@H+]1[C@@H]1CC[C@H]([NH3+])C1 307288749 345949154 /nfs/dbraw/zinc/94/91/54/345949154.db2.gz DESODPOTYYQARI-IVZWLZJFSA-N 2 1 198.310 0.711 10 0 ACAEMP CC1(C)[C@H](O)CC[N@H+]1[C@@H]1CC[C@@H]([NH3+])C1 307288752 345949247 /nfs/dbraw/zinc/94/92/47/345949247.db2.gz DESODPOTYYQARI-OPRDCNLKSA-N 2 1 198.310 0.711 10 0 ACAEMP C[C@@H]1CC[C@@]1(C[NH3+])[NH+]1CCC1 307288567 345949273 /nfs/dbraw/zinc/94/92/73/345949273.db2.gz COIRHNMCZVZHAT-BDAKNGLRSA-N 2 1 154.257 0.820 10 0 ACAEMP C[C@H]1CC[C@]1(C[NH3+])[NH+]1CCC1 307288568 345949333 /nfs/dbraw/zinc/94/93/33/345949333.db2.gz COIRHNMCZVZHAT-DTWKUNHWSA-N 2 1 154.257 0.820 10 0 ACAEMP CC1(C)[C@H](O)CC[N@H+]1[C@H]1CC[C@H]([NH3+])C1 307288751 345949389 /nfs/dbraw/zinc/94/93/89/345949389.db2.gz DESODPOTYYQARI-LPEHRKFASA-N 2 1 198.310 0.711 10 0 ACAEMP C[C@H]1CC[C@@]1(C[NH3+])[NH+]1CCC1 307288569 345949417 /nfs/dbraw/zinc/94/94/17/345949417.db2.gz COIRHNMCZVZHAT-IUCAKERBSA-N 2 1 154.257 0.820 10 0 ACAEMP CC1(C)[C@H](O)CC[N@H+]1[C@H]1CC[C@@H]([NH3+])C1 307288750 345949424 /nfs/dbraw/zinc/94/94/24/345949424.db2.gz DESODPOTYYQARI-KXUCPTDWSA-N 2 1 198.310 0.711 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@]12C[NH+]=C(N)O2 307291305 345950793 /nfs/dbraw/zinc/95/07/93/345950793.db2.gz BCNSDFZEGGNFRQ-APPZFPTMSA-N 2 1 183.255 0.042 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@@]12C[NH+]=C(N)O2 307291317 345950913 /nfs/dbraw/zinc/95/09/13/345950913.db2.gz BCNSDFZEGGNFRQ-VXNVDRBHSA-N 2 1 183.255 0.042 10 0 ACAEMP C[C@H]1C[N@@H+](C)CC[C@@]12C[NH+]=C(N)O2 307291312 345950940 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/nfs/dbraw/zinc/95/23/66/345952366.db2.gz PHNMVLIPMMJLMN-RNFRBKRXSA-N 2 1 166.228 0.336 10 0 ACAEMP CC[NH2+][C@]1(C[NH3+])CSC[C@H]1C 307294555 345952448 /nfs/dbraw/zinc/95/24/48/345952448.db2.gz PAEVRYHZJFNHJS-HTQZYQBOSA-N 2 1 174.313 0.676 10 0 ACAEMP C[C@H]1[C@@H]([NH3+])CCN1c1[nH]cc[nH+]1 307294862 345952614 /nfs/dbraw/zinc/95/26/14/345952614.db2.gz PHNMVLIPMMJLMN-BQBZGAKWSA-N 2 1 166.228 0.336 10 0 ACAEMP CC[NH2+][C@@]1(C[NH3+])CSC[C@H]1C 307294579 345952468 /nfs/dbraw/zinc/95/24/68/345952468.db2.gz PAEVRYHZJFNHJS-SFYZADRCSA-N 2 1 174.313 0.676 10 0 ACAEMP C[C@@H]1[C@@H]([NH3+])CCN1c1[nH]cc[nH+]1 307294870 345952497 /nfs/dbraw/zinc/95/24/97/345952497.db2.gz PHNMVLIPMMJLMN-RQJHMYQMSA-N 2 1 166.228 0.336 10 0 ACAEMP C[C@H]1[C@H]([NH3+])CCN1c1[nH]cc[nH+]1 307294865 345952503 /nfs/dbraw/zinc/95/25/03/345952503.db2.gz PHNMVLIPMMJLMN-NKWVEPMBSA-N 2 1 166.228 0.336 10 0 ACAEMP CC[NH2+][C@]1(C[NH3+])CSC[C@@H]1C 307294568 345952572 /nfs/dbraw/zinc/95/25/72/345952572.db2.gz PAEVRYHZJFNHJS-JGVFFNPUSA-N 2 1 174.313 0.676 10 0 ACAEMP CC[NH2+][C@@]1(C[NH3+])CSC[C@@H]1C 307294590 345952608 /nfs/dbraw/zinc/95/26/08/345952608.db2.gz PAEVRYHZJFNHJS-YUMQZZPRSA-N 2 1 174.313 0.676 10 0 ACAEMP CC1(C)[C@@H](O)CC[N@H+]1C1CC[NH2+]CC1 307299409 345954844 /nfs/dbraw/zinc/95/48/44/345954844.db2.gz YOAQYIUQCPWPIL-JTQLQIEISA-N 2 1 198.310 0.584 10 0 ACAEMP CC1(C)[C@H](O)CC[N@H+]1C1CC[NH2+]CC1 307299410 345954875 /nfs/dbraw/zinc/95/48/75/345954875.db2.gz YOAQYIUQCPWPIL-SNVBAGLBSA-N 2 1 198.310 0.584 10 0 ACAEMP C[N@H+]1CC[C@@H](Oc2nc(C[NH3+])co2)C1 307299432 345954910 /nfs/dbraw/zinc/95/49/10/345954910.db2.gz YRCLBYJQUZSJEJ-MRVPVSSYSA-N 2 1 197.238 0.216 10 0 ACAEMP [NH3+]C1(C2=[NH+]CCCN2)CCCC1 307307145 345960164 /nfs/dbraw/zinc/96/01/64/345960164.db2.gz VALPAYVFJMRWKF-UHFFFAOYSA-N 2 1 167.256 0.650 10 0 ACAEMP [NH3+][C@]1(CO)CC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 307310771 345962991 /nfs/dbraw/zinc/96/29/91/345962991.db2.gz IPSVDBCSEHDJLS-LMLFDSFASA-N 2 1 196.294 0.180 10 0 ACAEMP C[NH+]1CC(Nc2cc(N)cc[nH+]2)C1 307312017 345963533 /nfs/dbraw/zinc/96/35/33/345963533.db2.gz GARXIVOWWXSBGA-UHFFFAOYSA-N 2 1 178.239 0.390 10 0 ACAEMP CC[C@H]([NH3+])C[N@@H+]1C[C@H]2C[C@H]2C1 307316907 345966530 /nfs/dbraw/zinc/96/65/30/345966530.db2.gz NWNDZDXFQIFADC-YIZRAAEISA-N 2 1 154.257 0.675 10 0 ACAEMP CC[C@H]([NH3+])[C@@H]1C[N@H+]2CCCN1CC2 307318570 345967623 /nfs/dbraw/zinc/96/76/23/345967623.db2.gz QRNDOIOWXKFQEX-UWVGGRQHSA-N 2 1 183.299 0.114 10 0 ACAEMP CC[C@H]([NH3+])[C@@H]1C[N@@H+]2CCCN1CC2 307318570 345967625 /nfs/dbraw/zinc/96/76/25/345967625.db2.gz QRNDOIOWXKFQEX-UWVGGRQHSA-N 2 1 183.299 0.114 10 0 ACAEMP CC[C@H]([NH3+])[C@H]1C[N@H+]2CCCN1CC2 307318571 345967838 /nfs/dbraw/zinc/96/78/38/345967838.db2.gz QRNDOIOWXKFQEX-VHSXEESVSA-N 2 1 183.299 0.114 10 0 ACAEMP CC[C@H]([NH3+])[C@H]1C[N@@H+]2CCCN1CC2 307318571 345967839 /nfs/dbraw/zinc/96/78/39/345967839.db2.gz QRNDOIOWXKFQEX-VHSXEESVSA-N 2 1 183.299 0.114 10 0 ACAEMP CS[C@H]1CC[N@@H+]([C@@H](C)C[NH3+])C1 307322142 345970104 /nfs/dbraw/zinc/97/01/04/345970104.db2.gz XXVOCRBVIMSQOY-YUMQZZPRSA-N 2 1 174.313 0.771 10 0 ACAEMP CC[N@@H+]1CCc2c([nH+]c(N)n2C)C1 307321010 345969258 /nfs/dbraw/zinc/96/92/58/345969258.db2.gz WFHXQFZAWBJXIH-UHFFFAOYSA-N 2 1 180.255 0.380 10 0 ACAEMP CC[N@H+]1CCc2c([nH+]c(N)n2C)C1 307321010 345969262 /nfs/dbraw/zinc/96/92/62/345969262.db2.gz WFHXQFZAWBJXIH-UHFFFAOYSA-N 2 1 180.255 0.380 10 0 ACAEMP CS[C@@H]1CC[N@@H+]([C@@H](C)C[NH3+])C1 307322140 345969783 /nfs/dbraw/zinc/96/97/83/345969783.db2.gz XXVOCRBVIMSQOY-JGVFFNPUSA-N 2 1 174.313 0.771 10 0 ACAEMP CS[C@@H]1CC[N@H+]([C@@H](C)C[NH3+])C1 307322140 345969785 /nfs/dbraw/zinc/96/97/85/345969785.db2.gz XXVOCRBVIMSQOY-JGVFFNPUSA-N 2 1 174.313 0.771 10 0 ACAEMP CS[C@@H]1CC[N@@H+]([C@H](C)C[NH3+])C1 307322139 345969893 /nfs/dbraw/zinc/96/98/93/345969893.db2.gz XXVOCRBVIMSQOY-HTQZYQBOSA-N 2 1 174.313 0.771 10 0 ACAEMP CS[C@@H]1CC[N@H+]([C@H](C)C[NH3+])C1 307322139 345969894 /nfs/dbraw/zinc/96/98/94/345969894.db2.gz XXVOCRBVIMSQOY-HTQZYQBOSA-N 2 1 174.313 0.771 10 0 ACAEMP CS[C@H]1CC[N@@H+]([C@H](C)C[NH3+])C1 307322141 345969977 /nfs/dbraw/zinc/96/99/77/345969977.db2.gz XXVOCRBVIMSQOY-SFYZADRCSA-N 2 1 174.313 0.771 10 0 ACAEMP CS[C@H]1CC[N@H+]([C@H](C)C[NH3+])C1 307322141 345969981 /nfs/dbraw/zinc/96/99/81/345969981.db2.gz XXVOCRBVIMSQOY-SFYZADRCSA-N 2 1 174.313 0.771 10 0 ACAEMP CS[C@H]1CC[N@H+]([C@@H](C)C[NH3+])C1 307322142 345970108 /nfs/dbraw/zinc/97/01/08/345970108.db2.gz XXVOCRBVIMSQOY-YUMQZZPRSA-N 2 1 174.313 0.771 10 0 ACAEMP C[N@@H+]1CCCN(c2[nH]cc[nH+]2)CC1 307324937 345972291 /nfs/dbraw/zinc/97/22/91/345972291.db2.gz FMNDIIGYOICPMP-UHFFFAOYSA-N 2 1 180.255 0.552 10 0 ACAEMP C[N@H+]1CCCN(c2[nH]cc[nH+]2)CC1 307324937 345972293 /nfs/dbraw/zinc/97/22/93/345972293.db2.gz FMNDIIGYOICPMP-UHFFFAOYSA-N 2 1 180.255 0.552 10 0 ACAEMP CSC1([C@@H]([NH3+])C[NH3+])CCC1 307326396 345972746 /nfs/dbraw/zinc/97/27/46/345972746.db2.gz HPQIBABOWAAZPU-LURJTMIESA-N 2 1 160.286 0.558 10 0 ACAEMP CSC1([C@H]([NH3+])C[NH3+])CCC1 307326399 345972820 /nfs/dbraw/zinc/97/28/20/345972820.db2.gz HPQIBABOWAAZPU-ZCFIWIBFSA-N 2 1 160.286 0.558 10 0 ACAEMP C[C@@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 307327203 345973770 /nfs/dbraw/zinc/97/37/70/345973770.db2.gz IRIDNXCABZPXBZ-XFWSIPNHSA-N 2 1 184.283 0.036 10 0 ACAEMP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 307327201 345973814 /nfs/dbraw/zinc/97/38/14/345973814.db2.gz IRIDNXCABZPXBZ-RGOKHQFPSA-N 2 1 184.283 0.036 10 0 ACAEMP C[C@@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 307327200 345974091 /nfs/dbraw/zinc/97/40/91/345974091.db2.gz IRIDNXCABZPXBZ-KATARQTJSA-N 2 1 184.283 0.036 10 0 ACAEMP C[C@H]1C[N@H+](C)CC[C@@]12[NH2+]CCS2 307329506 345974873 /nfs/dbraw/zinc/97/48/73/345974873.db2.gz LVTRYSYPWFOLJN-IUCAKERBSA-N 2 1 186.324 0.991 10 0 ACAEMP C[C@H]1C[N@@H+](C)CC[C@@]12[NH2+]CCS2 307329506 345974875 /nfs/dbraw/zinc/97/48/75/345974875.db2.gz LVTRYSYPWFOLJN-IUCAKERBSA-N 2 1 186.324 0.991 10 0 ACAEMP 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345976746 /nfs/dbraw/zinc/97/67/46/345976746.db2.gz FAVGBDOBFGBAOI-DTORHVGOSA-N 2 1 166.268 0.820 10 0 ACAEMP C[C@H](CO)[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 307336728 345979328 /nfs/dbraw/zinc/97/93/28/345979328.db2.gz NYNLNMBBGNOWRM-UTINFBMNSA-N 2 1 184.283 0.036 10 0 ACAEMP C[C@H](CO)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 307336724 345979351 /nfs/dbraw/zinc/97/93/51/345979351.db2.gz NYNLNMBBGNOWRM-KATARQTJSA-N 2 1 184.283 0.036 10 0 ACAEMP C[C@H](CO)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 307336729 345979448 /nfs/dbraw/zinc/97/94/48/345979448.db2.gz NYNLNMBBGNOWRM-XFWSIPNHSA-N 2 1 184.283 0.036 10 0 ACAEMP C[C@H](CO)[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 307336726 345979544 /nfs/dbraw/zinc/97/95/44/345979544.db2.gz NYNLNMBBGNOWRM-RGOKHQFPSA-N 2 1 184.283 0.036 10 0 ACAEMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)CCO1 307339262 345980908 /nfs/dbraw/zinc/98/09/08/345980908.db2.gz WGHHXBWSIATRBZ-GMTAPVOTSA-N 2 1 198.310 0.977 10 0 ACAEMP 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CC(C)(O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307341722 345982727 /nfs/dbraw/zinc/98/27/27/345982727.db2.gz AHEBMIQQXWNOTN-BDAKNGLRSA-N 2 1 184.283 0.051 10 0 ACAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+]1C[C@H]2C[C@H]2C1 307341546 345982790 /nfs/dbraw/zinc/98/27/90/345982790.db2.gz VCNXTMZAEVQBMX-ZNSHCXBVSA-N 2 1 180.295 0.936 10 0 ACAEMP C[NH2+]CC[N@@H+]1CC[C@@H](C)[C@@H]1C 307344114 345983597 /nfs/dbraw/zinc/98/35/97/345983597.db2.gz YMIMYULYNWMOGM-BDAKNGLRSA-N 2 1 156.273 0.936 10 0 ACAEMP C[NH2+]CC[N@H+]1CC[C@@H](C)[C@@H]1C 307344114 345983601 /nfs/dbraw/zinc/98/36/01/345983601.db2.gz YMIMYULYNWMOGM-BDAKNGLRSA-N 2 1 156.273 0.936 10 0 ACAEMP C[NH2+]CC[N@@H+]1CC[C@H](C)[C@@H]1C 307344118 345983624 /nfs/dbraw/zinc/98/36/24/345983624.db2.gz YMIMYULYNWMOGM-IUCAKERBSA-N 2 1 156.273 0.936 10 0 ACAEMP C[NH2+]CC[N@H+]1CC[C@H](C)[C@@H]1C 307344118 345983627 /nfs/dbraw/zinc/98/36/27/345983627.db2.gz YMIMYULYNWMOGM-IUCAKERBSA-N 2 1 156.273 0.936 10 0 ACAEMP C[NH2+]CC[N@@H+]1CC[C@@H](C)[C@H]1C 307344120 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F[C@]1([C@@H]2C=CC[NH2+]2)CCC[NH2+]C1 307426411 346034402 /nfs/dbraw/zinc/03/44/02/346034402.db2.gz PPIRSUHPQNHAFT-DTWKUNHWSA-N 2 1 170.231 0.606 10 0 ACAEMP C[C@H]1CN(c2[nH]cc[nH+]2)C[C@]1(C)C[NH3+] 307428604 346035111 /nfs/dbraw/zinc/03/51/11/346035111.db2.gz UHRZWMFPUALXIR-WPRPVWTQSA-N 2 1 194.282 0.831 10 0 ACAEMP C[C@@H]1CN(c2[nH]cc[nH+]2)C[C@@]1(C)C[NH3+] 307428601 346035232 /nfs/dbraw/zinc/03/52/32/346035232.db2.gz UHRZWMFPUALXIR-PSASIEDQSA-N 2 1 194.282 0.831 10 0 ACAEMP C[C@@H]1CN(c2[nH]cc[nH+]2)C[C@]1(C)C[NH3+] 307428602 346035240 /nfs/dbraw/zinc/03/52/40/346035240.db2.gz UHRZWMFPUALXIR-SCZZXKLOSA-N 2 1 194.282 0.831 10 0 ACAEMP C[C@H]1CN(c2[nH]cc[nH+]2)C[C@@]1(C)C[NH3+] 307428603 346035372 /nfs/dbraw/zinc/03/53/72/346035372.db2.gz UHRZWMFPUALXIR-WCBMZHEXSA-N 2 1 194.282 0.831 10 0 ACAEMP C[C@@H](C[NH3+])C[N@@H+]1C[C@H]2C[C@H]2C1 307439950 346041231 /nfs/dbraw/zinc/04/12/31/346041231.db2.gz WMLINVZLQTUIRG-XHNCKOQMSA-N 2 1 154.257 0.533 10 0 ACAEMP C[C@H]([NH3+])CN1CC[C@@]2(CC[N@@H+](C)C2)C1 307441100 346041692 /nfs/dbraw/zinc/04/16/92/346041692.db2.gz ZQVZUSMKLYSUBE-WDEREUQCSA-N 2 1 197.326 0.361 10 0 ACAEMP C[C@H]([NH3+])CN1CC[C@]2(CC[N@@H+](C)C2)C1 307441099 346041831 /nfs/dbraw/zinc/04/18/31/346041831.db2.gz ZQVZUSMKLYSUBE-QWRGUYRKSA-N 2 1 197.326 0.361 10 0 ACAEMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+](C)C1 307441681 346042204 /nfs/dbraw/zinc/04/22/04/346042204.db2.gz NOEFQDLRPURAOH-YUMQZZPRSA-N 2 1 142.246 0.533 10 0 ACAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+](C)C1 307441678 346042261 /nfs/dbraw/zinc/04/22/61/346042261.db2.gz NOEFQDLRPURAOH-SFYZADRCSA-N 2 1 142.246 0.533 10 0 ACAEMP C[C@H]1C[C@H](C[NH3+])C[N@@H+](C)C1 307441676 346042436 /nfs/dbraw/zinc/04/24/36/346042436.db2.gz NOEFQDLRPURAOH-JGVFFNPUSA-N 2 1 142.246 0.533 10 0 ACAEMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+](C)C1 307441673 346042491 /nfs/dbraw/zinc/04/24/91/346042491.db2.gz NOEFQDLRPURAOH-HTQZYQBOSA-N 2 1 142.246 0.533 10 0 ACAEMP C[C@H](C[NH3+])[NH+]1C2CCC1CC2 307451594 346048204 /nfs/dbraw/zinc/04/82/04/346048204.db2.gz QWTWLJNSUCBIHY-AFPNSQJFSA-N 2 1 154.257 0.960 10 0 ACAEMP C[C@@H](C[NH3+])[NH+]1C2CCC1CC2 307451595 346048277 /nfs/dbraw/zinc/04/82/77/346048277.db2.gz QWTWLJNSUCBIHY-UEJVZZJDSA-N 2 1 154.257 0.960 10 0 ACAEMP [NH3+][C@@H](C1=[NH+]CCN1)C1CCCCC1 307452309 346048741 /nfs/dbraw/zinc/04/87/41/346048741.db2.gz VAEOWWFZHQWZKI-SECBINFHSA-N 2 1 181.283 0.896 10 0 ACAEMP [NH3+][C@H](C1=[NH+]CCN1)C1CCCCC1 307452310 346048753 /nfs/dbraw/zinc/04/87/53/346048753.db2.gz VAEOWWFZHQWZKI-VIFPVBQESA-N 2 1 181.283 0.896 10 0 ACAEMP C[C@H]1CCSCC[N@@H+]1CCN 307453957 346050049 /nfs/dbraw/zinc/05/00/49/346050049.db2.gz VUFAOFDGSVNCNV-QMMMGPOBSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@H]1CCSCC[N@H+]1CCN 307453957 346050052 /nfs/dbraw/zinc/05/00/52/346050052.db2.gz VUFAOFDGSVNCNV-QMMMGPOBSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@H]1CCSCC[N@@H+]1CC[NH3+] 307453957 346050054 /nfs/dbraw/zinc/05/00/54/346050054.db2.gz VUFAOFDGSVNCNV-QMMMGPOBSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@H]1CCSCC[N@H+]1CC[NH3+] 307453957 346050055 /nfs/dbraw/zinc/05/00/55/346050055.db2.gz VUFAOFDGSVNCNV-QMMMGPOBSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@@H]1CCSCC[N@@H+]1CCN 307453956 346050084 /nfs/dbraw/zinc/05/00/84/346050084.db2.gz VUFAOFDGSVNCNV-MRVPVSSYSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@@H]1CCSCC[N@H+]1CCN 307453956 346050085 /nfs/dbraw/zinc/05/00/85/346050085.db2.gz VUFAOFDGSVNCNV-MRVPVSSYSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@@H]1CCSCC[N@@H+]1CC[NH3+] 307453956 346050088 /nfs/dbraw/zinc/05/00/88/346050088.db2.gz VUFAOFDGSVNCNV-MRVPVSSYSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@@H]1CCSCC[N@H+]1CC[NH3+] 307453956 346050089 /nfs/dbraw/zinc/05/00/89/346050089.db2.gz VUFAOFDGSVNCNV-MRVPVSSYSA-N 2 1 174.313 0.773 10 0 ACAEMP CNc1[nH]c([C@@H](C)[NH3+])c[nH+]1 307458182 346052661 /nfs/dbraw/zinc/05/26/61/346052661.db2.gz ACLSXNCLVQPKMS-SCSAIBSYSA-N 2 1 140.190 0.471 10 0 ACAEMP CNc1[nH]c([C@H](C)[NH3+])c[nH+]1 307458175 346052905 /nfs/dbraw/zinc/05/29/05/346052905.db2.gz ACLSXNCLVQPKMS-BYPYZUCNSA-N 2 1 140.190 0.471 10 0 ACAEMP C[C@@]1(CO)CC[N@H+](C2CC([NH3+])C2)C1 307466402 346057656 /nfs/dbraw/zinc/05/76/56/346057656.db2.gz KDPNQUXNFSDFRR-UDNWOFFPSA-N 2 1 184.283 0.180 10 0 ACAEMP C[C@]1(CO)CC[N@H+](C2CC([NH3+])C2)C1 307466401 346057797 /nfs/dbraw/zinc/05/77/97/346057797.db2.gz KDPNQUXNFSDFRR-RTBKNWGFSA-N 2 1 184.283 0.180 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](O)C1 307467777 346058186 /nfs/dbraw/zinc/05/81/86/346058186.db2.gz LHABACNBHBQAEY-XFWSIPNHSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@@H](C)[C@H](O)C1 307467777 346058189 /nfs/dbraw/zinc/05/81/89/346058189.db2.gz LHABACNBHBQAEY-XFWSIPNHSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 307467776 346058263 /nfs/dbraw/zinc/05/82/63/346058263.db2.gz LHABACNBHBQAEY-KATARQTJSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](O)C1 307467776 346058264 /nfs/dbraw/zinc/05/82/64/346058264.db2.gz LHABACNBHBQAEY-KATARQTJSA-N 2 1 186.299 0.425 10 0 ACAEMP CC1(C)C[N@H+](C(C)(C)C[NH3+])C[C@H]1O 307467211 346058288 /nfs/dbraw/zinc/05/82/88/346058288.db2.gz PBPGOLNYQNBOQE-MRVPVSSYSA-N 2 1 186.299 0.426 10 0 ACAEMP CC1(C)C[N@@H+](C(C)(C)C[NH3+])C[C@H]1O 307467211 346058291 /nfs/dbraw/zinc/05/82/91/346058291.db2.gz PBPGOLNYQNBOQE-MRVPVSSYSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@H](C)[C@H](O)C1 307467775 346058343 /nfs/dbraw/zinc/05/83/43/346058343.db2.gz LHABACNBHBQAEY-AATLWQCWSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@H](C)[C@H](O)C1 307467775 346058344 /nfs/dbraw/zinc/05/83/44/346058344.db2.gz LHABACNBHBQAEY-AATLWQCWSA-N 2 1 186.299 0.425 10 0 ACAEMP CC1(C)C[N@H+](C(C)(C)C[NH3+])C[C@@H]1O 307467213 346058350 /nfs/dbraw/zinc/05/83/50/346058350.db2.gz PBPGOLNYQNBOQE-QMMMGPOBSA-N 2 1 186.299 0.426 10 0 ACAEMP CC1(C)C[N@@H+](C(C)(C)C[NH3+])C[C@@H]1O 307467213 346058351 /nfs/dbraw/zinc/05/83/51/346058351.db2.gz PBPGOLNYQNBOQE-QMMMGPOBSA-N 2 1 186.299 0.426 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](O)C1 307467778 346058365 /nfs/dbraw/zinc/05/83/65/346058365.db2.gz LHABACNBHBQAEY-XKNYDFJKSA-N 2 1 186.299 0.425 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@H](C)[C@@H](O)C1 307467778 346058366 /nfs/dbraw/zinc/05/83/66/346058366.db2.gz LHABACNBHBQAEY-XKNYDFJKSA-N 2 1 186.299 0.425 10 0 ACAEMP NCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 307469955 346059271 /nfs/dbraw/zinc/05/92/71/346059271.db2.gz OZELZAXMDMAZHP-GUBZILKMSA-N 2 1 184.283 0.038 10 0 ACAEMP [NH3+]CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 307469955 346059277 /nfs/dbraw/zinc/05/92/77/346059277.db2.gz OZELZAXMDMAZHP-GUBZILKMSA-N 2 1 184.283 0.038 10 0 ACAEMP [NH3+]CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 307469955 346059281 /nfs/dbraw/zinc/05/92/81/346059281.db2.gz OZELZAXMDMAZHP-GUBZILKMSA-N 2 1 184.283 0.038 10 0 ACAEMP NCC[N@@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 307469957 346059342 /nfs/dbraw/zinc/05/93/42/346059342.db2.gz OZELZAXMDMAZHP-IVZWLZJFSA-N 2 1 184.283 0.038 10 0 ACAEMP [NH3+]CC[N@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 307469957 346059347 /nfs/dbraw/zinc/05/93/47/346059347.db2.gz OZELZAXMDMAZHP-IVZWLZJFSA-N 2 1 184.283 0.038 10 0 ACAEMP [NH3+]CC[N@@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 307469957 346059350 /nfs/dbraw/zinc/05/93/50/346059350.db2.gz OZELZAXMDMAZHP-IVZWLZJFSA-N 2 1 184.283 0.038 10 0 ACAEMP NCC[N@@H+]1C[C@H]2C[C@@H](O)CC[C@H]2C1 307469954 346059500 /nfs/dbraw/zinc/05/95/00/346059500.db2.gz OZELZAXMDMAZHP-AEJSXWLSSA-N 2 1 184.283 0.038 10 0 ACAEMP [NH3+]CC[N@H+]1C[C@H]2C[C@@H](O)CC[C@H]2C1 307469954 346059504 /nfs/dbraw/zinc/05/95/04/346059504.db2.gz OZELZAXMDMAZHP-AEJSXWLSSA-N 2 1 184.283 0.038 10 0 ACAEMP [NH3+]CC[N@@H+]1C[C@H]2C[C@@H](O)CC[C@H]2C1 307469954 346059506 /nfs/dbraw/zinc/05/95/06/346059506.db2.gz OZELZAXMDMAZHP-AEJSXWLSSA-N 2 1 184.283 0.038 10 0 ACAEMP [NH3+]CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 307469958 346059553 /nfs/dbraw/zinc/05/95/53/346059553.db2.gz OZELZAXMDMAZHP-LPEHRKFASA-N 2 1 184.283 0.038 10 0 ACAEMP [NH3+]CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 307469958 346059555 /nfs/dbraw/zinc/05/95/55/346059555.db2.gz OZELZAXMDMAZHP-LPEHRKFASA-N 2 1 184.283 0.038 10 0 ACAEMP CC1(C)SC[C@H]1[NH2+]CC[NH3+] 307473265 346061630 /nfs/dbraw/zinc/06/16/30/346061630.db2.gz HFPAWHBFFIJQSE-ZCFIWIBFSA-N 2 1 160.286 0.429 10 0 ACAEMP CC1(C)SC[C@@H]1[NH2+]CC[NH3+] 307473264 346061816 /nfs/dbraw/zinc/06/18/16/346061816.db2.gz HFPAWHBFFIJQSE-LURJTMIESA-N 2 1 160.286 0.429 10 0 ACAEMP C[C@H]([NH3+])C[N@H+]1CCC2(CC2)C1 307473636 346062122 /nfs/dbraw/zinc/06/21/22/346062122.db2.gz RMOSNGQFJIRXPX-QMMMGPOBSA-N 2 1 154.257 0.820 10 0 ACAEMP C1C[C@H](C[NH2+]C2CC2)[NH2+]1 307481387 346066256 /nfs/dbraw/zinc/06/62/56/346066256.db2.gz KZQDITUGUTYVTO-SSDOTTSWSA-N 2 1 126.203 0.100 10 0 ACAEMP C1C[C@@H](C[NH2+]C2CC2)[NH2+]1 307481388 346066384 /nfs/dbraw/zinc/06/63/84/346066384.db2.gz KZQDITUGUTYVTO-ZETCQYMHSA-N 2 1 126.203 0.100 10 0 ACAEMP C[NH2+]C(C)(C)[C@H](F)[C@@H]1C=CC[NH2+]1 307482943 346067202 /nfs/dbraw/zinc/06/72/02/346067202.db2.gz SFLLYGOGDSOVPK-JGVFFNPUSA-N 2 1 172.247 0.851 10 0 ACAEMP C[NH2+]C(C)(C)[C@H](F)[C@H]1C=CC[NH2+]1 307482942 346067214 /nfs/dbraw/zinc/06/72/14/346067214.db2.gz SFLLYGOGDSOVPK-HTQZYQBOSA-N 2 1 172.247 0.851 10 0 ACAEMP C[NH2+]C(C)(C)[C@@H](F)[C@H]1C=CC[NH2+]1 307482944 346067282 /nfs/dbraw/zinc/06/72/82/346067282.db2.gz SFLLYGOGDSOVPK-SFYZADRCSA-N 2 1 172.247 0.851 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]([C@H](C)CO)C1 307484187 346068178 /nfs/dbraw/zinc/06/81/78/346068178.db2.gz MLPANTQOFQOVLV-HLTSFMKQSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]([C@H](C)CO)C1 307484187 346068180 /nfs/dbraw/zinc/06/81/80/346068180.db2.gz MLPANTQOFQOVLV-HLTSFMKQSA-N 2 1 172.272 0.036 10 0 ACAEMP CC(C)[N@H+]1CCO[C@H](C2=[NH+]CCN2)C1 307484216 346068248 /nfs/dbraw/zinc/06/82/48/346068248.db2.gz IFLXLPGXSVGASI-VIFPVBQESA-N 2 1 197.282 0.097 10 0 ACAEMP C[C@@H](CO)[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 307484196 346068285 /nfs/dbraw/zinc/06/82/85/346068285.db2.gz MLPANTQOFQOVLV-HRDYMLBCSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@@H](CO)[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 307484196 346068287 /nfs/dbraw/zinc/06/82/87/346068287.db2.gz MLPANTQOFQOVLV-HRDYMLBCSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@@H](CO)[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 307484222 346068360 /nfs/dbraw/zinc/06/83/60/346068360.db2.gz MLPANTQOFQOVLV-VGMNWLOBSA-N 2 1 172.272 0.036 10 0 ACAEMP C[C@@H](CO)[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 307484222 346068362 /nfs/dbraw/zinc/06/83/62/346068362.db2.gz MLPANTQOFQOVLV-VGMNWLOBSA-N 2 1 172.272 0.036 10 0 ACAEMP CC(C)[N@H+]1CCO[C@@H](C2=[NH+]CCN2)C1 307484204 346068432 /nfs/dbraw/zinc/06/84/32/346068432.db2.gz IFLXLPGXSVGASI-SECBINFHSA-N 2 1 197.282 0.097 10 0 ACAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]([C@H](C)CO)C1 307484209 346068504 /nfs/dbraw/zinc/06/85/04/346068504.db2.gz MLPANTQOFQOVLV-IWSPIJDZSA-N 2 1 172.272 0.036 10 0 ACAEMP 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INESIRZBSNQBDS-GMTAPVOTSA-N 2 1 198.310 0.299 10 0 ACAEMP CC[C@@H](O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 307708184 346195510 /nfs/dbraw/zinc/19/55/10/346195510.db2.gz INESIRZBSNQBDS-GARJFASQSA-N 2 1 198.310 0.299 10 0 ACAEMP [NH3+][C@@H]1CCC[N@H+](CCF)CC1 307708339 346195984 /nfs/dbraw/zinc/19/59/84/346195984.db2.gz IXNPQINPAMUNJS-MRVPVSSYSA-N 2 1 160.236 0.769 10 0 ACAEMP [NH3+][C@@H]1CCC[N@@H+](CCF)CC1 307708339 346195988 /nfs/dbraw/zinc/19/59/88/346195988.db2.gz IXNPQINPAMUNJS-MRVPVSSYSA-N 2 1 160.236 0.769 10 0 ACAEMP [NH3+][C@H]1CCC[N@H+](CCF)CC1 307708340 346196095 /nfs/dbraw/zinc/19/60/95/346196095.db2.gz IXNPQINPAMUNJS-QMMMGPOBSA-N 2 1 160.236 0.769 10 0 ACAEMP [NH3+][C@H]1CCC[N@@H+](CCF)CC1 307708340 346196097 /nfs/dbraw/zinc/19/60/97/346196097.db2.gz IXNPQINPAMUNJS-QMMMGPOBSA-N 2 1 160.236 0.769 10 0 ACAEMP CC(C)(O)C[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 307714630 346199379 /nfs/dbraw/zinc/19/93/79/346199379.db2.gz FPFASUSETHQACO-JVHMLUBASA-N 2 1 184.283 0.036 10 0 ACAEMP 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0.101 10 0 ACAEMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C1COC1 405396564 346665557 /nfs/dbraw/zinc/66/55/57/346665557.db2.gz OKLGLLRMIQXUFB-HTQZYQBOSA-N 2 1 170.256 0.101 10 0 ACAEMP CC(C)[N@H+]1CCN2C[C@@H]([NH3+])C[C@@H]2C1 405397746 346665567 /nfs/dbraw/zinc/66/55/67/346665567.db2.gz OVMWFKDAPQEHKO-VHSXEESVSA-N 2 1 183.299 0.112 10 0 ACAEMP CC(C)[N@H+]1CCN2C[C@H]([NH3+])C[C@@H]2C1 405397744 346665580 /nfs/dbraw/zinc/66/55/80/346665580.db2.gz OVMWFKDAPQEHKO-NXEZZACHSA-N 2 1 183.299 0.112 10 0 ACAEMP CC(C)[N@H+]1CCN2C[C@@H]([NH3+])C[C@H]2C1 405397745 346665770 /nfs/dbraw/zinc/66/57/70/346665770.db2.gz OVMWFKDAPQEHKO-UWVGGRQHSA-N 2 1 183.299 0.112 10 0 ACAEMP CC1(C)[C@@H]([NH3+])C[C@H]1[NH2+]C1COC1 405396567 346665789 /nfs/dbraw/zinc/66/57/89/346665789.db2.gz OKLGLLRMIQXUFB-JGVFFNPUSA-N 2 1 170.256 0.101 10 0 ACAEMP [NH3+][C@@H]1C[C@@H]([NH2+]C2COC2)C12CCC2 405413703 346666007 /nfs/dbraw/zinc/66/60/07/346666007.db2.gz NVFSRXQZBMSNPZ-RKDXNWHRSA-N 2 1 182.267 0.245 10 0 ACAEMP [NH3+][C@H]1C[C@H]([NH2+]C2COC2)C12CCC2 405413701 346666072 /nfs/dbraw/zinc/66/60/72/346666072.db2.gz NVFSRXQZBMSNPZ-IUCAKERBSA-N 2 1 182.267 0.245 10 0 ACAEMP [NH3+][C@H]1C[C@@H]([NH2+]C2COC2)C12CCC2 405413699 346666216 /nfs/dbraw/zinc/66/62/16/346666216.db2.gz NVFSRXQZBMSNPZ-DTWKUNHWSA-N 2 1 182.267 0.245 10 0 ACAEMP [NH3+][C@@H]1C[C@H]([NH2+]C2COC2)C12CCC2 405413697 346666264 /nfs/dbraw/zinc/66/62/64/346666264.db2.gz NVFSRXQZBMSNPZ-BDAKNGLRSA-N 2 1 182.267 0.245 10 0 ACAEMP CN1CC([NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1 405520487 346667181 /nfs/dbraw/zinc/66/71/81/346667181.db2.gz VMHCTDGIZWOVRQ-IUCAKERBSA-N 2 1 183.299 0.016 10 0 ACAEMP CN1CC([NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1 405520485 346667198 /nfs/dbraw/zinc/66/71/98/346667198.db2.gz VMHCTDGIZWOVRQ-DTWKUNHWSA-N 2 1 183.299 0.016 10 0 ACAEMP CN1CC([NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1 405520490 346667212 /nfs/dbraw/zinc/66/72/12/346667212.db2.gz VMHCTDGIZWOVRQ-RKDXNWHRSA-N 2 1 183.299 0.016 10 0 ACAEMP CN1CC([NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1 405520481 346667316 /nfs/dbraw/zinc/66/73/16/346667316.db2.gz VMHCTDGIZWOVRQ-BDAKNGLRSA-N 2 1 183.299 0.016 10 0 ACAEMP Cn1cc[nH+]c1N1CC[C@@](C)([NH3+])C1 405727901 346672056 /nfs/dbraw/zinc/67/20/56/346672056.db2.gz KUDSQSCFPUGQBR-SECBINFHSA-N 2 1 180.255 0.348 10 0 ACAEMP Cn1cc[nH+]c1N1CC[C@](C)([NH3+])C1 405727902 346672071 /nfs/dbraw/zinc/67/20/71/346672071.db2.gz KUDSQSCFPUGQBR-VIFPVBQESA-N 2 1 180.255 0.348 10 0 ACAEMP Cc1c[nH]c(N2CC[C@](C)([NH3+])C2)[nH+]1 405736390 346672101 /nfs/dbraw/zinc/67/21/01/346672101.db2.gz NQKIMLGPOLHWBJ-VIFPVBQESA-N 2 1 180.255 0.646 10 0 ACAEMP Cc1c[nH]c(N2CC[C@@](C)([NH3+])C2)[nH+]1 405736388 346672150 /nfs/dbraw/zinc/67/21/50/346672150.db2.gz NQKIMLGPOLHWBJ-SECBINFHSA-N 2 1 180.255 0.646 10 0 ACAEMP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCSC2)C1 405763211 346672455 /nfs/dbraw/zinc/67/24/55/346672455.db2.gz HXWWUABMYDAMTQ-IUCAKERBSA-N 2 1 186.324 0.915 10 0 ACAEMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCSC2)C1 405763211 346672458 /nfs/dbraw/zinc/67/24/58/346672458.db2.gz HXWWUABMYDAMTQ-IUCAKERBSA-N 2 1 186.324 0.915 10 0 ACAEMP C[C@@]1([NH3+])CC[N@@H+]([C@@H]2CCSC2)C1 405763212 346672499 /nfs/dbraw/zinc/67/24/99/346672499.db2.gz HXWWUABMYDAMTQ-RKDXNWHRSA-N 2 1 186.324 0.915 10 0 ACAEMP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CCSC2)C1 405763212 346672503 /nfs/dbraw/zinc/67/25/03/346672503.db2.gz HXWWUABMYDAMTQ-RKDXNWHRSA-N 2 1 186.324 0.915 10 0 ACAEMP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCSC2)C1 405763209 346672619 /nfs/dbraw/zinc/67/26/19/346672619.db2.gz HXWWUABMYDAMTQ-BDAKNGLRSA-N 2 1 186.324 0.915 10 0 ACAEMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCSC2)C1 405763209 346672622 /nfs/dbraw/zinc/67/26/22/346672622.db2.gz HXWWUABMYDAMTQ-BDAKNGLRSA-N 2 1 186.324 0.915 10 0 ACAEMP C[C@@]1([NH3+])CC[N@@H+]([C@H]2CCSC2)C1 405763210 346672661 /nfs/dbraw/zinc/67/26/61/346672661.db2.gz HXWWUABMYDAMTQ-DTWKUNHWSA-N 2 1 186.324 0.915 10 0 ACAEMP C[C@@]1([NH3+])CC[N@H+]([C@H]2CCSC2)C1 405763210 346672664 /nfs/dbraw/zinc/67/26/64/346672664.db2.gz HXWWUABMYDAMTQ-DTWKUNHWSA-N 2 1 186.324 0.915 10 0 ACAEMP C[C@]1([NH3+])CC[N@@H+](C[C@@H]2CCOC2)C1 405768765 346673215 /nfs/dbraw/zinc/67/32/15/346673215.db2.gz CARFFLJQKAVYHI-UWVGGRQHSA-N 2 1 184.283 0.446 10 0 ACAEMP C[C@]1([NH3+])CC[N@@H+](C[C@H]2CCOC2)C1 405768768 346673270 /nfs/dbraw/zinc/67/32/70/346673270.db2.gz CARFFLJQKAVYHI-ZJUUUORDSA-N 2 1 184.283 0.446 10 0 ACAEMP C[C@@]1([NH3+])CC[N@@H+](C[C@@H]2CCOC2)C1 405768767 346673334 /nfs/dbraw/zinc/67/33/34/346673334.db2.gz CARFFLJQKAVYHI-VHSXEESVSA-N 2 1 184.283 0.446 10 0 ACAEMP C[C@@]1([NH3+])CC[N@H+](C2CCC2)C1 405770661 346673455 /nfs/dbraw/zinc/67/34/55/346673455.db2.gz DBBRGWGLOMMTPJ-SECBINFHSA-N 2 1 154.257 0.962 10 0 ACAEMP C[C@@]1([NH3+])CC[N@@H+](C[C@H]2CCOC2)C1 405768764 346673483 /nfs/dbraw/zinc/67/34/83/346673483.db2.gz CARFFLJQKAVYHI-NXEZZACHSA-N 2 1 184.283 0.446 10 0 ACAEMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCC[C@@H]2O)C1 405781000 346673865 /nfs/dbraw/zinc/67/38/65/346673865.db2.gz HHUWJKQSAHVNDP-UTLUCORTSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCC[C@@H]2O)C1 405780999 346673974 /nfs/dbraw/zinc/67/39/74/346673974.db2.gz HHUWJKQSAHVNDP-GUBZILKMSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCC[C@H]2O)C1 405780997 346674101 /nfs/dbraw/zinc/67/41/01/346674101.db2.gz HHUWJKQSAHVNDP-BBBLOLIVSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCC[C@H]2O)C1 405780995 346674190 /nfs/dbraw/zinc/67/41/90/346674190.db2.gz HHUWJKQSAHVNDP-AEJSXWLSSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@@H]1OCC[C@H]1[N@@H+]1CC[C@@](C)([NH3+])C1 405807111 346674569 /nfs/dbraw/zinc/67/45/69/346674569.db2.gz RRHLRHOOSAVFIB-IVZWLZJFSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1OCC[C@H]1[N@H+]1CC[C@@](C)([NH3+])C1 405807111 346674571 /nfs/dbraw/zinc/67/45/71/346674571.db2.gz RRHLRHOOSAVFIB-IVZWLZJFSA-N 2 1 184.283 0.587 10 0 ACAEMP C[N@H+]1CC[C@@H](N2CC[C@@](C)([NH3+])C2)C1 405805541 346674587 /nfs/dbraw/zinc/67/45/87/346674587.db2.gz RFZCZOSNDAYISI-NXEZZACHSA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@@H+]1CC[C@@](C)([NH3+])C1 405807112 346674597 /nfs/dbraw/zinc/67/45/97/346674597.db2.gz RRHLRHOOSAVFIB-LPEHRKFASA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@H+]1CC[C@@](C)([NH3+])C1 405807112 346674601 /nfs/dbraw/zinc/67/46/01/346674601.db2.gz RRHLRHOOSAVFIB-LPEHRKFASA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@]1([NH3+])CC[N@H+](C2CCOCC2)C1 405808027 346674666 /nfs/dbraw/zinc/67/46/66/346674666.db2.gz RYBOOPJMDUZGAL-SNVBAGLBSA-N 2 1 184.283 0.589 10 0 ACAEMP C[N@H+]1CC[C@H](N2CC[C@@](C)([NH3+])C2)C1 405805550 346674693 /nfs/dbraw/zinc/67/46/93/346674693.db2.gz RFZCZOSNDAYISI-VHSXEESVSA-N 2 1 183.299 0.114 10 0 ACAEMP C[N@H+]1CC[C@H](N2CC[C@](C)([NH3+])C2)C1 405805546 346674703 /nfs/dbraw/zinc/67/47/03/346674703.db2.gz RFZCZOSNDAYISI-UWVGGRQHSA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@H](O)[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 405798737 346674761 /nfs/dbraw/zinc/67/47/61/346674761.db2.gz JKBSVZGQSCYYHF-VGMNWLOBSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H](O)[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 405798737 346674764 /nfs/dbraw/zinc/67/47/64/346674764.db2.gz JKBSVZGQSCYYHF-VGMNWLOBSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@@]1([NH3+])CC[N@@H+]([C@@H]2CCCOC2)C1 405797472 346674812 /nfs/dbraw/zinc/67/48/12/346674812.db2.gz OCGYMYWJAWMIND-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CCCOC2)C1 405797472 346674814 /nfs/dbraw/zinc/67/48/14/346674814.db2.gz OCGYMYWJAWMIND-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCCOC2)C1 405797478 346674980 /nfs/dbraw/zinc/67/49/80/346674980.db2.gz OCGYMYWJAWMIND-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@H](O)[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 405798730 346674889 /nfs/dbraw/zinc/67/48/89/346674889.db2.gz JKBSVZGQSCYYHF-CIUDSAMLSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H](O)[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 405798730 346674891 /nfs/dbraw/zinc/67/48/91/346674891.db2.gz JKBSVZGQSCYYHF-CIUDSAMLSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@@]1([NH3+])CC[N@@H+]([C@H]2CCCOC2)C1 405797476 346674914 /nfs/dbraw/zinc/67/49/14/346674914.db2.gz OCGYMYWJAWMIND-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@@]1([NH3+])CC[N@H+]([C@H]2CCCOC2)C1 405797476 346674917 /nfs/dbraw/zinc/67/49/17/346674917.db2.gz OCGYMYWJAWMIND-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@@H]1OCC[C@H]1[N@@H+]1CC[C@](C)([NH3+])C1 405807109 346674960 /nfs/dbraw/zinc/67/49/60/346674960.db2.gz RRHLRHOOSAVFIB-AEJSXWLSSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1OCC[C@H]1[N@H+]1CC[C@](C)([NH3+])C1 405807109 346674962 /nfs/dbraw/zinc/67/49/62/346674962.db2.gz RRHLRHOOSAVFIB-AEJSXWLSSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@H](O)[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 405798740 346674969 /nfs/dbraw/zinc/67/49/69/346674969.db2.gz JKBSVZGQSCYYHF-XHNCKOQMSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H](O)[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 405798740 346674971 /nfs/dbraw/zinc/67/49/71/346674971.db2.gz JKBSVZGQSCYYHF-XHNCKOQMSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCCOC2)C1 405797478 346674982 /nfs/dbraw/zinc/67/49/82/346674982.db2.gz OCGYMYWJAWMIND-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@@H+]1CC[C@](C)([NH3+])C1 405807110 346674988 /nfs/dbraw/zinc/67/49/88/346674988.db2.gz RRHLRHOOSAVFIB-GUBZILKMSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[N@H+]1CC[C@](C)([NH3+])C1 405807110 346674990 /nfs/dbraw/zinc/67/49/90/346674990.db2.gz RRHLRHOOSAVFIB-GUBZILKMSA-N 2 1 184.283 0.587 10 0 ACAEMP C[N@H+]1CC[C@@H](N2CC[C@](C)([NH3+])C2)C1 405805555 346675001 /nfs/dbraw/zinc/67/50/01/346675001.db2.gz RFZCZOSNDAYISI-ZJUUUORDSA-N 2 1 183.299 0.114 10 0 ACAEMP C[C@]1([NH3+])CC[N@H+](C2CCOCC2)C1 405808026 346675107 /nfs/dbraw/zinc/67/51/07/346675107.db2.gz RYBOOPJMDUZGAL-JTQLQIEISA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@H](O)[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 405798733 346675126 /nfs/dbraw/zinc/67/51/26/346675126.db2.gz JKBSVZGQSCYYHF-HRDYMLBCSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H](O)[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 405798733 346675129 /nfs/dbraw/zinc/67/51/29/346675129.db2.gz JKBSVZGQSCYYHF-HRDYMLBCSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCCOC2)C1 405797474 346675167 /nfs/dbraw/zinc/67/51/67/346675167.db2.gz OCGYMYWJAWMIND-UWVGGRQHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCCOC2)C1 405797474 346675169 /nfs/dbraw/zinc/67/51/69/346675169.db2.gz OCGYMYWJAWMIND-UWVGGRQHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@@]1([NH3+])CC[N@H+](CCCF)C1 405832361 346675596 /nfs/dbraw/zinc/67/55/96/346675596.db2.gz SGVJRDRKRSVBRX-MRVPVSSYSA-N 2 1 160.236 0.769 10 0 ACAEMP C[C@@]1([NH3+])CC[N@@H+](CCCF)C1 405832361 346675598 /nfs/dbraw/zinc/67/55/98/346675598.db2.gz SGVJRDRKRSVBRX-MRVPVSSYSA-N 2 1 160.236 0.769 10 0 ACAEMP C[C@@]1([NH3+])CC[N@@H+](CC2CC2)C1 405836120 346675630 /nfs/dbraw/zinc/67/56/30/346675630.db2.gz UMIAOIJOTQRJNZ-SECBINFHSA-N 2 1 154.257 0.820 10 0 ACAEMP COC1CC([N@@H+]2CC[C@@](C)([NH3+])C2)C1 405818822 346675685 /nfs/dbraw/zinc/67/56/85/346675685.db2.gz WHDOGIAAHQTMOT-UDNWOFFPSA-N 2 1 184.283 0.587 10 0 ACAEMP COC1CC([N@H+]2CC[C@@](C)([NH3+])C2)C1 405818822 346675687 /nfs/dbraw/zinc/67/56/87/346675687.db2.gz WHDOGIAAHQTMOT-UDNWOFFPSA-N 2 1 184.283 0.587 10 0 ACAEMP CC(C)(O)C[N@@H+]1CC[C@@](C)([NH3+])C1 405839547 346675698 /nfs/dbraw/zinc/67/56/98/346675698.db2.gz WXEDFKKTGYDQCZ-SECBINFHSA-N 2 1 172.272 0.180 10 0 ACAEMP CC(C)(O)C[N@H+]1CC[C@@](C)([NH3+])C1 405839547 346675700 /nfs/dbraw/zinc/67/57/00/346675700.db2.gz WXEDFKKTGYDQCZ-SECBINFHSA-N 2 1 172.272 0.180 10 0 ACAEMP COC1CC([N@@H+]2CC[C@](C)([NH3+])C2)C1 405818820 346675721 /nfs/dbraw/zinc/67/57/21/346675721.db2.gz WHDOGIAAHQTMOT-RTBKNWGFSA-N 2 1 184.283 0.587 10 0 ACAEMP COC1CC([N@H+]2CC[C@](C)([NH3+])C2)C1 405818820 346675723 /nfs/dbraw/zinc/67/57/23/346675723.db2.gz WHDOGIAAHQTMOT-RTBKNWGFSA-N 2 1 184.283 0.587 10 0 ACAEMP CSCC[N@@H+]1CC[C@@](C)([NH3+])C1 405817527 346675742 /nfs/dbraw/zinc/67/57/42/346675742.db2.gz NSFNQQFLHQLJDA-MRVPVSSYSA-N 2 1 174.313 0.773 10 0 ACAEMP CSCC[N@H+]1CC[C@@](C)([NH3+])C1 405817527 346675745 /nfs/dbraw/zinc/67/57/45/346675745.db2.gz NSFNQQFLHQLJDA-MRVPVSSYSA-N 2 1 174.313 0.773 10 0 ACAEMP C[C@]1([NH3+])CC[N@H+](CCCF)C1 405832362 346675787 /nfs/dbraw/zinc/67/57/87/346675787.db2.gz SGVJRDRKRSVBRX-QMMMGPOBSA-N 2 1 160.236 0.769 10 0 ACAEMP C[C@]1([NH3+])CC[N@@H+](CCCF)C1 405832362 346675789 /nfs/dbraw/zinc/67/57/89/346675789.db2.gz SGVJRDRKRSVBRX-QMMMGPOBSA-N 2 1 160.236 0.769 10 0 ACAEMP C[C@]1([NH3+])CC[N@@H+](CC2CC2)C1 405836121 346675795 /nfs/dbraw/zinc/67/57/95/346675795.db2.gz UMIAOIJOTQRJNZ-VIFPVBQESA-N 2 1 154.257 0.820 10 0 ACAEMP CSCC[N@@H+]1CC[C@](C)([NH3+])C1 405817529 346675925 /nfs/dbraw/zinc/67/59/25/346675925.db2.gz NSFNQQFLHQLJDA-QMMMGPOBSA-N 2 1 174.313 0.773 10 0 ACAEMP CSCC[N@H+]1CC[C@](C)([NH3+])C1 405817529 346675927 /nfs/dbraw/zinc/67/59/27/346675927.db2.gz NSFNQQFLHQLJDA-QMMMGPOBSA-N 2 1 174.313 0.773 10 0 ACAEMP CC(C)(O)C[N@@H+]1CC[C@](C)([NH3+])C1 405839550 346676012 /nfs/dbraw/zinc/67/60/12/346676012.db2.gz WXEDFKKTGYDQCZ-VIFPVBQESA-N 2 1 172.272 0.180 10 0 ACAEMP CC(C)(O)C[N@H+]1CC[C@](C)([NH3+])C1 405839550 346676014 /nfs/dbraw/zinc/67/60/14/346676014.db2.gz WXEDFKKTGYDQCZ-VIFPVBQESA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@]1([NH3+])CCN(c2[nH]cc[nH+]2)C1 405887780 346677037 /nfs/dbraw/zinc/67/70/37/346677037.db2.gz WVXUZGRKWYDQTO-MRVPVSSYSA-N 2 1 166.228 0.337 10 0 ACAEMP C[C@]1([NH3+])CCN(c2[nH]cc[nH+]2)C1 405887784 346677221 /nfs/dbraw/zinc/67/72/21/346677221.db2.gz WVXUZGRKWYDQTO-QMMMGPOBSA-N 2 1 166.228 0.337 10 0 ACAEMP [NH3+]C[C@@H]1CC[C@H](C2CC2)[NH2+]1 407394011 346678171 /nfs/dbraw/zinc/67/81/71/346678171.db2.gz CAVITXKWAQKZQS-JGVFFNPUSA-N 2 1 140.230 0.476 10 0 ACAEMP [NH3+]C[C@H]1CC[C@@H](C2CC2)[NH2+]1 407394013 346678219 /nfs/dbraw/zinc/67/82/19/346678219.db2.gz CAVITXKWAQKZQS-SFYZADRCSA-N 2 1 140.230 0.476 10 0 ACAEMP C[NH2+]C[C@H]1CC[C@H](C2CC2)[NH2+]1 407424363 346678227 /nfs/dbraw/zinc/67/82/27/346678227.db2.gz MVNREXJDHKOCJA-RKDXNWHRSA-N 2 1 154.257 0.736 10 0 ACAEMP [NH3+]C[C@@H]1CC[C@@H](C2CC2)[NH2+]1 407394014 346678238 /nfs/dbraw/zinc/67/82/38/346678238.db2.gz CAVITXKWAQKZQS-YUMQZZPRSA-N 2 1 140.230 0.476 10 0 ACAEMP C[NH2+]C[C@H]1CC[C@@H](C2CC2)[NH2+]1 407424360 346678293 /nfs/dbraw/zinc/67/82/93/346678293.db2.gz MVNREXJDHKOCJA-BDAKNGLRSA-N 2 1 154.257 0.736 10 0 ACAEMP [NH3+]C[C@H]1CC[C@H](C2CC2)[NH2+]1 407394010 346678394 /nfs/dbraw/zinc/67/83/94/346678394.db2.gz CAVITXKWAQKZQS-HTQZYQBOSA-N 2 1 140.230 0.476 10 0 ACAEMP C[NH2+]C[C@@H]1CC[C@H](C2CC2)[NH2+]1 407424361 346678446 /nfs/dbraw/zinc/67/84/46/346678446.db2.gz MVNREXJDHKOCJA-DTWKUNHWSA-N 2 1 154.257 0.736 10 0 ACAEMP C[NH2+]C[C@@H]1CC[C@@H](C2CC2)[NH2+]1 407424362 346678539 /nfs/dbraw/zinc/67/85/39/346678539.db2.gz MVNREXJDHKOCJA-IUCAKERBSA-N 2 1 154.257 0.736 10 0 ACAEMP Cn1cccc1[C@@H]1C[NH2+]C[C@H]1[NH3+] 409422034 346678812 /nfs/dbraw/zinc/67/88/12/346678812.db2.gz BSWAXBDADBGCSR-HTQZYQBOSA-N 2 1 165.240 0.039 10 0 ACAEMP Cn1cccc1[C@@H]1C[NH2+]C[C@@H]1[NH3+] 409422040 346678857 /nfs/dbraw/zinc/67/88/57/346678857.db2.gz BSWAXBDADBGCSR-SFYZADRCSA-N 2 1 165.240 0.039 10 0 ACAEMP Cn1cccc1[C@H]1C[NH2+]C[C@@H]1[NH3+] 409422041 346678955 /nfs/dbraw/zinc/67/89/55/346678955.db2.gz BSWAXBDADBGCSR-YUMQZZPRSA-N 2 1 165.240 0.039 10 0 ACAEMP Cn1cccc1[C@H]1C[NH2+]C[C@H]1[NH3+] 409422039 346679005 /nfs/dbraw/zinc/67/90/05/346679005.db2.gz BSWAXBDADBGCSR-JGVFFNPUSA-N 2 1 165.240 0.039 10 0 ACAEMP [NH3+]C[C@H]1CCCN(C2=[NH+]CCS2)C1 409422679 346679483 /nfs/dbraw/zinc/67/94/83/346679483.db2.gz JLEDHHVFHGBPHM-MRVPVSSYSA-N 2 1 199.323 0.760 10 0 ACAEMP [NH3+]C[C@@H]1CCCN(C2=[NH+]CCS2)C1 409422680 346679527 /nfs/dbraw/zinc/67/95/27/346679527.db2.gz JLEDHHVFHGBPHM-QMMMGPOBSA-N 2 1 199.323 0.760 10 0 ACAEMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1ccncc1 409423019 346679762 /nfs/dbraw/zinc/67/97/62/346679762.db2.gz NUODDMJCCNRSJE-DTWKUNHWSA-N 2 1 163.224 0.096 10 0 ACAEMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1ccncc1 409423021 346679786 /nfs/dbraw/zinc/67/97/86/346679786.db2.gz NUODDMJCCNRSJE-RKDXNWHRSA-N 2 1 163.224 0.096 10 0 ACAEMP [NH3+][C@H]1C[NH2+]C[C@H]1c1ccncc1 409423020 346680068 /nfs/dbraw/zinc/68/00/68/346680068.db2.gz NUODDMJCCNRSJE-IUCAKERBSA-N 2 1 163.224 0.096 10 0 ACAEMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1ccncc1 409423018 346680210 /nfs/dbraw/zinc/68/02/10/346680210.db2.gz NUODDMJCCNRSJE-BDAKNGLRSA-N 2 1 163.224 0.096 10 0 ACAEMP C1C[C@@H]2[C@H](C[NH2+]1)COCC[N@@H+]2C1CC1 409423451 346680422 /nfs/dbraw/zinc/68/04/22/346680422.db2.gz OGVBINLXGAPQIA-MWLCHTKSSA-N 2 1 196.294 0.459 10 0 ACAEMP CCC[N@H+]1CCOC[C@@H]2C[NH2+]CC[C@H]21 409423462 346680463 /nfs/dbraw/zinc/68/04/63/346680463.db2.gz OJDDRHAMRMEFQL-WDEREUQCSA-N 2 1 198.310 0.707 10 0 ACAEMP C1C[C@H]2[C@H](C[NH2+]1)COCC[N@@H+]2C1CC1 409423450 346680535 /nfs/dbraw/zinc/68/05/35/346680535.db2.gz OGVBINLXGAPQIA-KOLCDFICSA-N 2 1 196.294 0.459 10 0 ACAEMP CCC[N@H+]1CCOC[C@@H]2C[NH2+]CC[C@@H]21 409423461 346680633 /nfs/dbraw/zinc/68/06/33/346680633.db2.gz OJDDRHAMRMEFQL-QWRGUYRKSA-N 2 1 198.310 0.707 10 0 ACAEMP C1C[C@@H]2[C@@H](C[NH2+]1)COCC[N@@H+]2C1CC1 409423449 346680669 /nfs/dbraw/zinc/68/06/69/346680669.db2.gz OGVBINLXGAPQIA-GXSJLCMTSA-N 2 1 196.294 0.459 10 0 ACAEMP CCC[N@H+]1CCOC[C@H]2C[NH2+]CC[C@@H]21 409423460 346680687 /nfs/dbraw/zinc/68/06/87/346680687.db2.gz OJDDRHAMRMEFQL-MNOVXSKESA-N 2 1 198.310 0.707 10 0 ACAEMP CCC[N@H+]1CCOC[C@H]2C[NH2+]CC[C@H]21 409423459 346680769 /nfs/dbraw/zinc/68/07/69/346680769.db2.gz OJDDRHAMRMEFQL-GHMZBOCLSA-N 2 1 198.310 0.707 10 0 ACAEMP C1C[C@H]2[C@@H](C[NH2+]1)COCC[N@@H+]2C1CC1 409423453 346680814 /nfs/dbraw/zinc/68/08/14/346680814.db2.gz OGVBINLXGAPQIA-ONGXEEELSA-N 2 1 196.294 0.459 10 0 ACAEMP [NH3+]CC1CCN(C2=[NH+]CCS2)CC1 409424088 346681265 /nfs/dbraw/zinc/68/12/65/346681265.db2.gz XIUKEWQJJWGJQH-UHFFFAOYSA-N 2 1 199.323 0.760 10 0 ACAEMP CC[N@H+]1CCOC[C@@H]2C[NH2+]CC[C@@H]21 409424367 346681909 /nfs/dbraw/zinc/68/19/09/346681909.db2.gz UUELBZZAEJODPQ-UWVGGRQHSA-N 2 1 184.283 0.317 10 0 ACAEMP [NH3+]CCC[N@H+]1CC[C@H]2COC[C@@H]2C1 409424419 346681924 /nfs/dbraw/zinc/68/19/24/346681924.db2.gz BVFZHUOHLIMXPE-UWVGGRQHSA-N 2 1 184.283 0.304 10 0 ACAEMP [NH3+]CCC[N@H+]1CC[C@H]2COC[C@H]2C1 409424420 346681960 /nfs/dbraw/zinc/68/19/60/346681960.db2.gz BVFZHUOHLIMXPE-VHSXEESVSA-N 2 1 184.283 0.304 10 0 ACAEMP CC[N@H+]1CCOC[C@@H]2C[NH2+]CC[C@H]21 409424369 346682006 /nfs/dbraw/zinc/68/20/06/346682006.db2.gz UUELBZZAEJODPQ-VHSXEESVSA-N 2 1 184.283 0.317 10 0 ACAEMP [NH3+]CCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 409424421 346682039 /nfs/dbraw/zinc/68/20/39/346682039.db2.gz BVFZHUOHLIMXPE-ZJUUUORDSA-N 2 1 184.283 0.304 10 0 ACAEMP CC[N@H+]1CCOC[C@H]2C[NH2+]CC[C@@H]21 409424370 346682135 /nfs/dbraw/zinc/68/21/35/346682135.db2.gz UUELBZZAEJODPQ-ZJUUUORDSA-N 2 1 184.283 0.317 10 0 ACAEMP CCOC[C@@H]1CCC[N@@H+]1CCN 409424736 346682396 /nfs/dbraw/zinc/68/23/96/346682396.db2.gz CWJRUDSVHYMUPR-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP CCOC[C@@H]1CCC[N@H+]1CCN 409424736 346682398 /nfs/dbraw/zinc/68/23/98/346682398.db2.gz CWJRUDSVHYMUPR-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP CCOC[C@H]1CCC[N@@H+]1CCN 409424734 346682529 /nfs/dbraw/zinc/68/25/29/346682529.db2.gz CWJRUDSVHYMUPR-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP CCOC[C@H]1CCC[N@H+]1CCN 409424734 346682531 /nfs/dbraw/zinc/68/25/31/346682531.db2.gz CWJRUDSVHYMUPR-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP C[C@@H](O)[C@H]1CCC[N@@H+](CCC[NH3+])C1 409425823 346683166 /nfs/dbraw/zinc/68/31/66/346683166.db2.gz GXOKFPBRBZUYJH-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@@H](O)[C@H]1CCC[N@H+](CCN)C1 409425501 346683187 /nfs/dbraw/zinc/68/31/87/346683187.db2.gz GGANICCFFQWFTE-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@@H](O)[C@@H]1CCC[N@H+](CCN)C1 409425504 346683195 /nfs/dbraw/zinc/68/31/95/346683195.db2.gz GGANICCFFQWFTE-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@H](O)[C@H]1CCC[N@H+](CCN)C1 409425503 346683255 /nfs/dbraw/zinc/68/32/55/346683255.db2.gz GGANICCFFQWFTE-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@H](O)[C@@H]1CCC[N@H+](CCN)C1 409425502 346683275 /nfs/dbraw/zinc/68/32/75/346683275.db2.gz GGANICCFFQWFTE-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@@H]1C[N@H+](CCN)CC[C@H]1O 409425670 346683301 /nfs/dbraw/zinc/68/33/01/346683301.db2.gz BCAMHYQTPCECKV-RKDXNWHRSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@@H]1C[N@H+](CCN)CC[C@@H]1O 409425667 346683316 /nfs/dbraw/zinc/68/33/16/346683316.db2.gz BCAMHYQTPCECKV-BDAKNGLRSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@H]1C[N@H+](CCN)CC[C@H]1O 409425668 346683346 /nfs/dbraw/zinc/68/33/46/346683346.db2.gz BCAMHYQTPCECKV-DTWKUNHWSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[C@H]1C[N@H+](CCN)CC[C@@H]1O 409425669 346683398 /nfs/dbraw/zinc/68/33/98/346683398.db2.gz BCAMHYQTPCECKV-IUCAKERBSA-N 2 1 172.272 0.038 10 0 ACAEMP C[C@H](O)[C@H]1CCC[N@@H+](CCC[NH3+])C1 409425820 346683433 /nfs/dbraw/zinc/68/34/33/346683433.db2.gz GXOKFPBRBZUYJH-UWVGGRQHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@H](O)[C@@H]1CCC[N@@H+](CCC[NH3+])C1 409425822 346683471 /nfs/dbraw/zinc/68/34/71/346683471.db2.gz GXOKFPBRBZUYJH-VHSXEESVSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@@H](O)[C@@H]1CCC[N@@H+](CCC[NH3+])C1 409425815 346683490 /nfs/dbraw/zinc/68/34/90/346683490.db2.gz GXOKFPBRBZUYJH-NXEZZACHSA-N 2 1 186.299 0.428 10 0 ACAEMP [NH3+]CCC[N@H+]1CC[C@]2(CCCCO2)C1 409426016 346683936 /nfs/dbraw/zinc/68/39/36/346683936.db2.gz HFZIQLSRMIXXLO-LLVKDONJSA-N 2 1 198.310 0.980 10 0 ACAEMP [NH3+]CCC[N@H+]1CC[C@@]2(CCCCO2)C1 409426018 346683989 /nfs/dbraw/zinc/68/39/89/346683989.db2.gz HFZIQLSRMIXXLO-NSHDSACASA-N 2 1 198.310 0.980 10 0 ACAEMP C[N@H+]1C[C@@H]2C[NH2+][C@H](C3CC3)[C@@H]2C1 409426672 346684605 /nfs/dbraw/zinc/68/46/05/346684605.db2.gz FWRSTGRMPFZISP-IVZWLZJFSA-N 2 1 166.268 0.546 10 0 ACAEMP C[N@H+]1C[C@@H]2C[NH2+][C@H](C3CC3)[C@H]2C1 409426673 346684720 /nfs/dbraw/zinc/68/47/20/346684720.db2.gz FWRSTGRMPFZISP-LPEHRKFASA-N 2 1 166.268 0.546 10 0 ACAEMP [NH3+]CC[N@@H+]1C[C@@H](CO)C2(CCCC2)C1 409426947 346684892 /nfs/dbraw/zinc/68/48/92/346684892.db2.gz DGRDDZOKXRRHQT-JTQLQIEISA-N 2 1 198.310 0.430 10 0 ACAEMP [NH3+]CC[N@H+]1C[C@@H](CO)C2(CCCC2)C1 409426947 346684896 /nfs/dbraw/zinc/68/48/96/346684896.db2.gz DGRDDZOKXRRHQT-JTQLQIEISA-N 2 1 198.310 0.430 10 0 ACAEMP C[N@H+]1C[C@@H]2C[NH2+][C@@H](C3CC3)[C@H]2C1 409426670 346685041 /nfs/dbraw/zinc/68/50/41/346685041.db2.gz FWRSTGRMPFZISP-GUBZILKMSA-N 2 1 166.268 0.546 10 0 ACAEMP [NH3+]CC[N@@H+]1C[C@H](CO)C2(CCCC2)C1 409426948 346685134 /nfs/dbraw/zinc/68/51/34/346685134.db2.gz DGRDDZOKXRRHQT-SNVBAGLBSA-N 2 1 198.310 0.430 10 0 ACAEMP [NH3+]CC[N@H+]1C[C@H](CO)C2(CCCC2)C1 409426948 346685139 /nfs/dbraw/zinc/68/51/39/346685139.db2.gz DGRDDZOKXRRHQT-SNVBAGLBSA-N 2 1 198.310 0.430 10 0 ACAEMP C[N@H+]1C[C@@H]2C[NH2+][C@@H](C3CC3)[C@@H]2C1 409426663 346685174 /nfs/dbraw/zinc/68/51/74/346685174.db2.gz FWRSTGRMPFZISP-AEJSXWLSSA-N 2 1 166.268 0.546 10 0 ACAEMP C[NH2+]CC1([NH+]2CCCC2)CC1 409427112 346685945 /nfs/dbraw/zinc/68/59/45/346685945.db2.gz UNWFXXPXZAXPGQ-UHFFFAOYSA-N 2 1 154.257 0.834 10 0 ACAEMP CCOC[C@H]1C[N@@H+](CC[NH3+])C[C@@H]1C 409428324 346686873 /nfs/dbraw/zinc/68/68/73/346686873.db2.gz GFOREXIEUWQWSV-VHSXEESVSA-N 2 1 186.299 0.550 10 0 ACAEMP CCOC[C@H]1C[N@H+](CCN)C[C@@H]1C 409428324 346686865 /nfs/dbraw/zinc/68/68/65/346686865.db2.gz GFOREXIEUWQWSV-VHSXEESVSA-N 2 1 186.299 0.550 10 0 ACAEMP CCOC[C@H]1C[N@@H+](CCN)C[C@@H]1C 409428324 346686868 /nfs/dbraw/zinc/68/68/68/346686868.db2.gz GFOREXIEUWQWSV-VHSXEESVSA-N 2 1 186.299 0.550 10 0 ACAEMP CCOC[C@H]1C[N@H+](CC[NH3+])C[C@@H]1C 409428324 346686870 /nfs/dbraw/zinc/68/68/70/346686870.db2.gz GFOREXIEUWQWSV-VHSXEESVSA-N 2 1 186.299 0.550 10 0 ACAEMP NCC[N@@H+]1CCOC[C@H]2CCC[C@H]21 409428533 346686938 /nfs/dbraw/zinc/68/69/38/346686938.db2.gz GPVCXBRUYSDYFB-NXEZZACHSA-N 2 1 184.283 0.446 10 0 ACAEMP NCC[N@H+]1CCOC[C@H]2CCC[C@H]21 409428533 346686941 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/nfs/dbraw/zinc/10/79/61/347107961.db2.gz JRTCBPYNPBQCHA-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)(C)[N@H+]1CCOCC[C@@H]1C[NH3+] 616598285 347107962 /nfs/dbraw/zinc/10/79/62/347107962.db2.gz JRTCBPYNPBQCHA-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)[C@@H]1COCCC[N@@H+]1CC[NH3+] 616597710 347108037 /nfs/dbraw/zinc/10/80/37/347108037.db2.gz QRLBJDMFJUQOTK-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)[C@@H]1COCCC[N@H+]1CC[NH3+] 616597710 347108038 /nfs/dbraw/zinc/10/80/38/347108038.db2.gz QRLBJDMFJUQOTK-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)[C@@H]1CCOCC[N@@H+]1CC[NH3+] 616599095 347108259 /nfs/dbraw/zinc/10/82/59/347108259.db2.gz WVHGTHRBPILVKP-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)[C@@H]1CCOCC[N@H+]1CC[NH3+] 616599095 347108261 /nfs/dbraw/zinc/10/82/61/347108261.db2.gz WVHGTHRBPILVKP-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP [NH3+]CC[N@@H+]1CCC[C@@H](CCO)CC1 616600339 347109032 /nfs/dbraw/zinc/10/90/32/347109032.db2.gz CGHAHOACEUKIEO-SNVBAGLBSA-N 2 1 186.299 0.430 10 0 ACAEMP [NH3+]CC[N@H+]1CCC[C@@H](CCO)CC1 616600339 347109033 /nfs/dbraw/zinc/10/90/33/347109033.db2.gz CGHAHOACEUKIEO-SNVBAGLBSA-N 2 1 186.299 0.430 10 0 ACAEMP CC(C)[C@H]1CCOCC[N@@H+]1CC[NH3+] 616599797 347109124 /nfs/dbraw/zinc/10/91/24/347109124.db2.gz WVHGTHRBPILVKP-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)[C@H]1CCOCC[N@H+]1CC[NH3+] 616599797 347109126 /nfs/dbraw/zinc/10/91/26/347109126.db2.gz WVHGTHRBPILVKP-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)(C)[N@H+]1CCCOC[C@@H]1C[NH3+] 616599839 347109206 /nfs/dbraw/zinc/10/92/06/347109206.db2.gz QLJGXWRARJGCPE-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP NCC[N@@H+]1CCC[C@@H](CC[NH3+])CC1 616600793 347109232 /nfs/dbraw/zinc/10/92/32/347109232.db2.gz HUMUMRSOTBICOE-JTQLQIEISA-N 2 1 185.315 0.396 10 0 ACAEMP NCC[N@H+]1CCC[C@@H](CC[NH3+])CC1 616600793 347109236 /nfs/dbraw/zinc/10/92/36/347109236.db2.gz HUMUMRSOTBICOE-JTQLQIEISA-N 2 1 185.315 0.396 10 0 ACAEMP NCC[N@H+]1CCC[C@@H](C[NH3+])CC1 616600436 347109528 /nfs/dbraw/zinc/10/95/28/347109528.db2.gz FPAKSLCNCXVARI-SECBINFHSA-N 2 1 171.288 0.006 10 0 ACAEMP NCC[N@H+]1CCCC[C@H](CC[NH3+])C1 616603191 347109984 /nfs/dbraw/zinc/10/99/84/347109984.db2.gz CBKGVUORICUGCZ-SNVBAGLBSA-N 2 1 185.315 0.396 10 0 ACAEMP [NH3+]CC[C@H]1CCCCN(CC[NH3+])C1 616603191 347109985 /nfs/dbraw/zinc/10/99/85/347109985.db2.gz CBKGVUORICUGCZ-SNVBAGLBSA-N 2 1 185.315 0.396 10 0 ACAEMP [NH3+]CCN1CC[C@H](c2[nH]cc[nH+]2)C1 616612697 347116999 /nfs/dbraw/zinc/11/69/99/347116999.db2.gz QWPISKIZGXUZNI-QMMMGPOBSA-N 2 1 180.255 0.158 10 0 ACAEMP [NH3+]CCN1CC[C@@H](c2[nH]cc[nH+]2)C1 616614593 347120945 /nfs/dbraw/zinc/12/09/45/347120945.db2.gz QWPISKIZGXUZNI-MRVPVSSYSA-N 2 1 180.255 0.158 10 0 ACAEMP NCC[N@H+]1CCCC[C@@H](CC[NH3+])C1 616627423 347129942 /nfs/dbraw/zinc/12/99/42/347129942.db2.gz CBKGVUORICUGCZ-JTQLQIEISA-N 2 1 185.315 0.396 10 0 ACAEMP [NH3+]CC[C@@H]1CCCCN(CC[NH3+])C1 616627423 347129944 /nfs/dbraw/zinc/12/99/44/347129944.db2.gz CBKGVUORICUGCZ-JTQLQIEISA-N 2 1 185.315 0.396 10 0 ACAEMP NCC[N@@H+]1CCC[C@H](CC[NH3+])CC1 616627600 347129983 /nfs/dbraw/zinc/12/99/83/347129983.db2.gz HUMUMRSOTBICOE-SNVBAGLBSA-N 2 1 185.315 0.396 10 0 ACAEMP NCC[N@H+]1CCC[C@H](CC[NH3+])CC1 616627600 347129984 /nfs/dbraw/zinc/12/99/84/347129984.db2.gz HUMUMRSOTBICOE-SNVBAGLBSA-N 2 1 185.315 0.396 10 0 ACAEMP NCC[N@H+]1CCC[C@H](C[NH3+])CC1 616627178 347130043 /nfs/dbraw/zinc/13/00/43/347130043.db2.gz FPAKSLCNCXVARI-VIFPVBQESA-N 2 1 171.288 0.006 10 0 ACAEMP [NH3+]CCN1CCC[C@H](C[NH3+])CC1 616627178 347130045 /nfs/dbraw/zinc/13/00/45/347130045.db2.gz FPAKSLCNCXVARI-VIFPVBQESA-N 2 1 171.288 0.006 10 0 ACAEMP [NH3+]CC[N@@H+]1CCC[C@H](CCO)CC1 616627084 347130132 /nfs/dbraw/zinc/13/01/32/347130132.db2.gz CGHAHOACEUKIEO-JTQLQIEISA-N 2 1 186.299 0.430 10 0 ACAEMP [NH3+]CC[N@H+]1CCC[C@H](CCO)CC1 616627084 347130137 /nfs/dbraw/zinc/13/01/37/347130137.db2.gz CGHAHOACEUKIEO-JTQLQIEISA-N 2 1 186.299 0.430 10 0 ACAEMP CC(C)(C)[N@H+]1CCN[C@@H](CC[NH3+])C1 616632363 347132769 /nfs/dbraw/zinc/13/27/69/347132769.db2.gz OKYCWAMXZATNPS-VIFPVBQESA-N 2 1 185.315 0.408 10 0 ACAEMP CC(C)[N@H+]1CCN[C@H](CC[NH3+])C1 616632987 347133879 /nfs/dbraw/zinc/13/38/79/347133879.db2.gz UKXURMBIUZAESK-SECBINFHSA-N 2 1 171.288 0.017 10 0 ACAEMP CC(C)[N@H+]1CCN[C@@H](CC[NH3+])C1 616632637 347134045 /nfs/dbraw/zinc/13/40/45/347134045.db2.gz UKXURMBIUZAESK-VIFPVBQESA-N 2 1 171.288 0.017 10 0 ACAEMP CC(C)(C)[N@H+]1CCN[C@H](CC[NH3+])C1 616632696 347134286 /nfs/dbraw/zinc/13/42/86/347134286.db2.gz OKYCWAMXZATNPS-SECBINFHSA-N 2 1 185.315 0.408 10 0 ACAEMP CC[N@H+]1CCCOC[C@@H]1CC[NH3+] 616645176 347145369 /nfs/dbraw/zinc/14/53/69/347145369.db2.gz HPIVOLVDXUBUMH-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP CC(C)(C)[N@@H+]1CCCOC[C@H]1C[NH3+] 616645899 347146289 /nfs/dbraw/zinc/14/62/89/347146289.db2.gz QLJGXWRARJGCPE-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)(C)[N@H+]1CCCOC[C@H]1C[NH3+] 616645899 347146291 /nfs/dbraw/zinc/14/62/91/347146291.db2.gz QLJGXWRARJGCPE-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)[C@H]1COCCC[N@@H+]1CC[NH3+] 616646563 347146858 /nfs/dbraw/zinc/14/68/58/347146858.db2.gz QRLBJDMFJUQOTK-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)[C@H]1COCCC[N@H+]1CC[NH3+] 616646563 347146860 /nfs/dbraw/zinc/14/68/60/347146860.db2.gz QRLBJDMFJUQOTK-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)[N@H+]1CCCOC[C@@H]1CC[NH3+] 616646797 347147150 /nfs/dbraw/zinc/14/71/50/347147150.db2.gz WHDXDMVLJKKFAC-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)(C)[N@@H+]1CCCO[C@H](C[NH3+])C1 616648825 347148977 /nfs/dbraw/zinc/14/89/77/347148977.db2.gz DLGKLGKEJSKKRY-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)(C)[N@H+]1CCCO[C@H](C[NH3+])C1 616648825 347148979 /nfs/dbraw/zinc/14/89/79/347148979.db2.gz DLGKLGKEJSKKRY-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC[N@H+]1CCCOC[C@H]1CC[NH3+] 616648940 347149170 /nfs/dbraw/zinc/14/91/70/347149170.db2.gz HPIVOLVDXUBUMH-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP CC[N@H+]1CCCO[C@H](CC[NH3+])C1 616649378 347149727 /nfs/dbraw/zinc/14/97/27/347149727.db2.gz GXUHXJLBRZLOFS-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP CC(C)[N@H+]1CCCOC[C@H]1CC[NH3+] 616650034 347151035 /nfs/dbraw/zinc/15/10/35/347151035.db2.gz WHDXDMVLJKKFAC-SNVBAGLBSA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)[N@H+]1CCCO[C@H](CC[NH3+])C1 616650325 347151182 /nfs/dbraw/zinc/15/11/82/347151182.db2.gz WXUUNMPNKWIMPU-SNVBAGLBSA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@H+]1CCCO[C@H](CC[NH3+])C1 616651809 347151676 /nfs/dbraw/zinc/15/16/76/347151676.db2.gz PRZUYYKUYHCBFX-MRVPVSSYSA-N 2 1 158.245 0.056 10 0 ACAEMP CC(C)(C)[N@H+]1CCCO[C@@H](C[NH3+])C1 616652130 347152478 /nfs/dbraw/zinc/15/24/78/347152478.db2.gz DLGKLGKEJSKKRY-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@H+]1CCCO[C@@H](CC[NH3+])C1 616652537 347152609 /nfs/dbraw/zinc/15/26/09/347152609.db2.gz PRZUYYKUYHCBFX-QMMMGPOBSA-N 2 1 158.245 0.056 10 0 ACAEMP CC[N@H+]1CCCO[C@@H](CC[NH3+])C1 616652582 347153666 /nfs/dbraw/zinc/15/36/66/347153666.db2.gz GXUHXJLBRZLOFS-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP CC(C)[N@H+]1CCCO[C@@H](CC[NH3+])C1 616653867 347155020 /nfs/dbraw/zinc/15/50/20/347155020.db2.gz WXUUNMPNKWIMPU-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@H+]1CCOCC[C@@H]1CC[NH3+] 616655617 347155670 /nfs/dbraw/zinc/15/56/70/347155670.db2.gz ICPHELZMHKHJEI-QMMMGPOBSA-N 2 1 158.245 0.056 10 0 ACAEMP CC[N@H+]1CCOCC[C@@H]1CC[NH3+] 616655398 347155769 /nfs/dbraw/zinc/15/57/69/347155769.db2.gz DCFIYSUUPVUCBV-VIFPVBQESA-N 2 1 172.272 0.446 10 0 ACAEMP CC(C)(C)[N@@H+]1CCOCC[C@H]1C[NH3+] 616656116 347156344 /nfs/dbraw/zinc/15/63/44/347156344.db2.gz JRTCBPYNPBQCHA-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)(C)[N@H+]1CCOCC[C@H]1C[NH3+] 616656116 347156347 /nfs/dbraw/zinc/15/63/47/347156347.db2.gz JRTCBPYNPBQCHA-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP CC[N@H+]1CCOCC[C@H]1CC[NH3+] 616656249 347156687 /nfs/dbraw/zinc/15/66/87/347156687.db2.gz DCFIYSUUPVUCBV-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP CC(C)[N@H+]1CCOCC[C@@H]1CC[NH3+] 616656467 347157837 /nfs/dbraw/zinc/15/78/37/347157837.db2.gz VTOUODUUITWSDZ-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@H+]1CCOCC[C@H]1CC[NH3+] 616656842 347157863 /nfs/dbraw/zinc/15/78/63/347157863.db2.gz ICPHELZMHKHJEI-MRVPVSSYSA-N 2 1 158.245 0.056 10 0 ACAEMP CC(C)(C)[N@H+]1CCOC[C@H](C[NH3+])C1 616658012 347158782 /nfs/dbraw/zinc/15/87/82/347158782.db2.gz ALPIRZBXAVMUSH-SECBINFHSA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)[N@H+]1CCOCC[C@H]1CC[NH3+] 616657308 347158855 /nfs/dbraw/zinc/15/88/55/347158855.db2.gz VTOUODUUITWSDZ-SNVBAGLBSA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)(C)[N@H+]1CCOC[C@@H](C[NH3+])C1 616658981 347159678 /nfs/dbraw/zinc/15/96/78/347159678.db2.gz ALPIRZBXAVMUSH-VIFPVBQESA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)[N@H+]1CCOC[C@H](CC[NH3+])C1 616658984 347159698 /nfs/dbraw/zinc/15/96/98/347159698.db2.gz FYUAMIFFKYDYON-SNVBAGLBSA-N 2 1 186.299 0.692 10 0 ACAEMP CC(C)[N@H+]1CCOC[C@@H](CC[NH3+])C1 616660318 347160592 /nfs/dbraw/zinc/16/05/92/347160592.db2.gz FYUAMIFFKYDYON-JTQLQIEISA-N 2 1 186.299 0.692 10 0 ACAEMP CC[N@H+]1CCOC[C@H](CC[NH3+])C1 616659488 347160926 /nfs/dbraw/zinc/16/09/26/347160926.db2.gz KIPQXSYRJWXFNT-SECBINFHSA-N 2 1 172.272 0.304 10 0 ACAEMP CC[N@H+]1CCOC[C@@H](CC[NH3+])C1 616660571 347161739 /nfs/dbraw/zinc/16/17/39/347161739.db2.gz KIPQXSYRJWXFNT-VIFPVBQESA-N 2 1 172.272 0.304 10 0 ACAEMP CC(C)[N@H+]1CCOC[C@H](C[NH3+])C1 616662059 347162451 /nfs/dbraw/zinc/16/24/51/347162451.db2.gz ZUSXGGSUSYWUCD-SECBINFHSA-N 2 1 172.272 0.302 10 0 ACAEMP CC(C)[N@H+]1CCOC[C@@H](C[NH3+])C1 616662266 347162514 /nfs/dbraw/zinc/16/25/14/347162514.db2.gz ZUSXGGSUSYWUCD-VIFPVBQESA-N 2 1 172.272 0.302 10 0 ACAEMP CC(C)(C)[N@H+]1CCO[C@@H](C[NH3+])CC1 616666062 347165033 /nfs/dbraw/zinc/16/50/33/347165033.db2.gz FLQOGORXNMHKME-SECBINFHSA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)[N@H+]1CCO[C@@H](CC[NH3+])CC1 616666535 347165552 /nfs/dbraw/zinc/16/55/52/347165552.db2.gz XJGTUDSASQZTCT-JTQLQIEISA-N 2 1 186.299 0.835 10 0 ACAEMP CC(C)[N@H+]1CCO[C@@H](C[NH3+])CC1 616666349 347165560 /nfs/dbraw/zinc/16/55/60/347165560.db2.gz PEKVUBVQVJERQP-SECBINFHSA-N 2 1 172.272 0.444 10 0 ACAEMP CC(C)(C)[N@H+]1CCO[C@H](C[NH3+])CC1 616684173 347167956 /nfs/dbraw/zinc/16/79/56/347167956.db2.gz FLQOGORXNMHKME-VIFPVBQESA-N 2 1 186.299 0.835 10 0 ACAEMP C[N@H+]1CCO[C@H](CC[NH3+])CC1 616687383 347168805 /nfs/dbraw/zinc/16/88/05/347168805.db2.gz XACAXCLENOUKOS-MRVPVSSYSA-N 2 1 158.245 0.056 10 0 ACAEMP CC[N@H+]1CCO[C@H](CC[NH3+])CC1 616687439 347169093 /nfs/dbraw/zinc/16/90/93/347169093.db2.gz YRVITJIJSGGSKS-SECBINFHSA-N 2 1 172.272 0.446 10 0 ACAEMP CC(C)[N@H+]1CCO[C@H](C[NH3+])CC1 616686998 347169105 /nfs/dbraw/zinc/16/91/05/347169105.db2.gz PEKVUBVQVJERQP-VIFPVBQESA-N 2 1 172.272 0.444 10 0 ACAEMP C[N@H+]1CCN(CCC[NH3+])C(C)(C)C1 621776799 347233825 /nfs/dbraw/zinc/23/38/25/347233825.db2.gz WPVHAHAPXQXSGC-UHFFFAOYSA-N 2 1 185.315 0.361 10 0 ACAEMP FC1(F)C[C@@H]1CC[NH2+][C@H]1CC[NH2+]C1 622043751 347235592 /nfs/dbraw/zinc/23/55/92/347235592.db2.gz JZEAOODEQJKVSM-YUMQZZPRSA-N 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CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCO[C@H]1C 629390533 347341976 /nfs/dbraw/zinc/34/19/76/347341976.db2.gz ROVKBHYRORARIR-XWLWVQCSSA-N 2 1 198.310 0.894 10 0 ACAEMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCO[C@@H]1C 629390532 347342009 /nfs/dbraw/zinc/34/20/09/347342009.db2.gz ROVKBHYRORARIR-VPOLOUISSA-N 2 1 198.310 0.894 10 0 ACAEMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCO[C@H]1C 629390531 347342111 /nfs/dbraw/zinc/34/21/11/347342111.db2.gz ROVKBHYRORARIR-UKKRHICBSA-N 2 1 198.310 0.894 10 0 ACAEMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCOCC1 629407412 347343284 /nfs/dbraw/zinc/34/32/84/347343284.db2.gz ZAFZANUEMQKFLC-WCBMZHEXSA-N 2 1 184.283 0.505 10 0 ACAEMP CCO[C@H](C[N@@H+]1CC[C@@H]([NH3+])C1)C1CC1 629505173 347345205 /nfs/dbraw/zinc/34/52/05/347345205.db2.gz IJDYQKHLBXOKOI-GHMZBOCLSA-N 2 1 198.310 0.835 10 0 ACAEMP CCO[C@H](C[N@H+]1CC[C@@H]([NH3+])C1)C1CC1 629505173 347345207 /nfs/dbraw/zinc/34/52/07/347345207.db2.gz IJDYQKHLBXOKOI-GHMZBOCLSA-N 2 1 198.310 0.835 10 0 ACAEMP CCO[C@@H](C[N@@H+]1CC[C@H]([NH3+])C1)C1CC1 629511409 347345298 /nfs/dbraw/zinc/34/52/98/347345298.db2.gz IJDYQKHLBXOKOI-QWRGUYRKSA-N 2 1 198.310 0.835 10 0 ACAEMP CCO[C@@H](C[N@H+]1CC[C@H]([NH3+])C1)C1CC1 629511409 347345302 /nfs/dbraw/zinc/34/53/02/347345302.db2.gz IJDYQKHLBXOKOI-QWRGUYRKSA-N 2 1 198.310 0.835 10 0 ACAEMP CCO[C@@H](C[N@@H+]1CC[C@@H]([NH3+])C1)C1CC1 629505174 347345458 /nfs/dbraw/zinc/34/54/58/347345458.db2.gz IJDYQKHLBXOKOI-MNOVXSKESA-N 2 1 198.310 0.835 10 0 ACAEMP CCO[C@H](C[N@@H+]1CC[C@H]([NH3+])C1)C1CC1 629511410 347345499 /nfs/dbraw/zinc/34/54/99/347345499.db2.gz IJDYQKHLBXOKOI-WDEREUQCSA-N 2 1 198.310 0.835 10 0 ACAEMP CCO[C@H](C[N@H+]1CC[C@H]([NH3+])C1)C1CC1 629511410 347345503 /nfs/dbraw/zinc/34/55/03/347345503.db2.gz IJDYQKHLBXOKOI-WDEREUQCSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCCO1 629544379 347346893 /nfs/dbraw/zinc/34/68/93/347346893.db2.gz LSCPWTDOELBUCD-MMWGEVLESA-N 2 1 198.310 0.894 10 0 ACAEMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@@H]1CCCO1 629544381 347347015 /nfs/dbraw/zinc/34/70/15/347347015.db2.gz LSCPWTDOELBUCD-ZDCRXTMVSA-N 2 1 198.310 0.894 10 0 ACAEMP C[C@@H](CCCC[NH3+])N[C@@H]1CC[NH2+][C@H]1C 629543797 347347211 /nfs/dbraw/zinc/34/72/11/347347211.db2.gz BNZMHAVKVZVQIB-GARJFASQSA-N 2 1 199.342 0.844 10 0 ACAEMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@H]1CCCO1 629544378 347347222 /nfs/dbraw/zinc/34/72/22/347347222.db2.gz LSCPWTDOELBUCD-LNFKQOIKSA-N 2 1 198.310 0.894 10 0 ACAEMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@H]1CCCO1 629544380 347347304 /nfs/dbraw/zinc/34/73/04/347347304.db2.gz LSCPWTDOELBUCD-UKKRHICBSA-N 2 1 198.310 0.894 10 0 ACAEMP CC[C@H](COC)[NH2+][C@@H]1CC[NH2+][C@H]1C 629547192 347347635 /nfs/dbraw/zinc/34/76/35/347347635.db2.gz HROZUOMNOPDOKJ-IVZWLZJFSA-N 2 1 186.299 0.751 10 0 ACAEMP C[C@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH2+][C@H]1C 629547164 347347658 /nfs/dbraw/zinc/34/76/58/347347658.db2.gz HATCCUNVSICKOE-MMWGEVLESA-N 2 1 197.326 0.277 10 0 ACAEMP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[N@H+](C)C[C@H]1C 629547168 347347741 /nfs/dbraw/zinc/34/77/41/347347741.db2.gz HATCCUNVSICKOE-YTWAJWBKSA-N 2 1 197.326 0.277 10 0 ACAEMP C[C@H](NC[C@@H]1CCC[N@H+]1C)C1C[NH2+]C1 629547616 347347802 /nfs/dbraw/zinc/34/78/02/347347802.db2.gz CBVJKQMCAJAVIP-ONGXEEELSA-N 2 1 197.326 0.278 10 0 ACAEMP C[C@H]([NH2+]C[C@@H]1CCCN1C)C1C[NH2+]C1 629547616 347347805 /nfs/dbraw/zinc/34/78/05/347347805.db2.gz CBVJKQMCAJAVIP-ONGXEEELSA-N 2 1 197.326 0.278 10 0 ACAEMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[N@H+](C)C[C@H]1C 629547159 347347949 /nfs/dbraw/zinc/34/79/49/347347949.db2.gz HATCCUNVSICKOE-LMLFDSFASA-N 2 1 197.326 0.277 10 0 ACAEMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CC1 629548291 347347956 /nfs/dbraw/zinc/34/79/56/347347956.db2.gz NLSYDSAQOPWDFQ-GDPRMGEGSA-N 2 1 198.310 0.751 10 0 ACAEMP C[C@@H]1[NH2+]CC[C@H]1NC1CCC([NH3+])CC1 629546090 347348012 /nfs/dbraw/zinc/34/80/12/347348012.db2.gz MPUZMUQBWIENEH-IDWGSYCQSA-N 2 1 197.326 0.596 10 0 ACAEMP COC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CC1 629548295 347348027 /nfs/dbraw/zinc/34/80/27/347348027.db2.gz NLSYDSAQOPWDFQ-JMJZKYOTSA-N 2 1 198.310 0.751 10 0 ACAEMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(O)CC1 629546601 347348133 /nfs/dbraw/zinc/34/81/33/347348133.db2.gz UFELDTXAYYRFLL-IDWGSYCQSA-N 2 1 198.310 0.630 10 0 ACAEMP CC[C@@H](COC)[NH2+][C@@H]1CC[NH2+][C@H]1C 629547194 347348162 /nfs/dbraw/zinc/34/81/62/347348162.db2.gz HROZUOMNOPDOKJ-LPEHRKFASA-N 2 1 186.299 0.751 10 0 ACAEMP C[C@@H](NC[C@@H]1CCC[N@H+]1C)C1C[NH2+]C1 629547610 347348191 /nfs/dbraw/zinc/34/81/91/347348191.db2.gz CBVJKQMCAJAVIP-KOLCDFICSA-N 2 1 197.326 0.278 10 0 ACAEMP C[C@@H]([NH2+]C[C@@H]1CCCN1C)C1C[NH2+]C1 629547610 347348193 /nfs/dbraw/zinc/34/81/93/347348193.db2.gz CBVJKQMCAJAVIP-KOLCDFICSA-N 2 1 197.326 0.278 10 0 ACAEMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 629549473 347348587 /nfs/dbraw/zinc/34/85/87/347348587.db2.gz WKHBWBOMTZIHDL-UTINFBMNSA-N 2 1 186.299 0.750 10 0 ACAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)[C@@H]1C 629553043 347348595 /nfs/dbraw/zinc/34/85/95/347348595.db2.gz IRBDQWUPVNGNAM-ZYUZMQFOSA-N 2 1 168.284 0.982 10 0 ACAEMP C[C@@H](C[C@@H](C)[NH3+])[NH2+]C[C@@H]1CCCN1C 629550361 347348674 /nfs/dbraw/zinc/34/86/74/347348674.db2.gz MERFNVDFOVWEFP-VWYCJHECSA-N 2 1 199.342 0.796 10 0 ACAEMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 629549472 347348964 /nfs/dbraw/zinc/34/89/64/347348964.db2.gz WKHBWBOMTZIHDL-AXTSPUMRSA-N 2 1 186.299 0.750 10 0 ACAEMP C[C@H]1[C@H](C)C[C@H]1[NH2+][C@@H]1CC[NH2+]C1 629553042 347348914 /nfs/dbraw/zinc/34/89/14/347348914.db2.gz IRBDQWUPVNGNAM-UTINFBMNSA-N 2 1 168.284 0.982 10 0 ACAEMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1CCCN1C 629550360 347349125 /nfs/dbraw/zinc/34/91/25/347349125.db2.gz MERFNVDFOVWEFP-MXWKQRLJSA-N 2 1 199.342 0.796 10 0 ACAEMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCN1C 629550359 347349173 /nfs/dbraw/zinc/34/91/73/347349173.db2.gz MERFNVDFOVWEFP-DCAQKATOSA-N 2 1 199.342 0.796 10 0 ACAEMP C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1CCCN1C 629550358 347349185 /nfs/dbraw/zinc/34/91/85/347349185.db2.gz MERFNVDFOVWEFP-AXFHLTTASA-N 2 1 199.342 0.796 10 0 ACAEMP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 629549474 347349206 /nfs/dbraw/zinc/34/92/06/347349206.db2.gz WKHBWBOMTZIHDL-XFWSIPNHSA-N 2 1 186.299 0.750 10 0 ACAEMP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C 629549471 347349232 /nfs/dbraw/zinc/34/92/32/347349232.db2.gz WKHBWBOMTZIHDL-AATLWQCWSA-N 2 1 186.299 0.750 10 0 ACAEMP C[NH2+]CCOCC[N@@H+](C)C(C)C 629562194 347350618 /nfs/dbraw/zinc/35/06/18/347350618.db2.gz AYYSTFHEOQKYTK-UHFFFAOYSA-N 2 1 174.288 0.563 10 0 ACAEMP CCC[N@@H+](C)CCOCC[NH2+]C 629569046 347350983 /nfs/dbraw/zinc/35/09/83/347350983.db2.gz UONAKKURPKWXHL-UHFFFAOYSA-N 2 1 174.288 0.564 10 0 ACAEMP C[NH2+]CCOCC[N@@H+](C)CC(C)C 629568670 347351005 /nfs/dbraw/zinc/35/10/05/347351005.db2.gz SPOSCRGHBXDMTH-UHFFFAOYSA-N 2 1 188.315 0.810 10 0 ACAEMP CCCC[N@@H+](C)CCOCC[NH2+]C 629568590 347351024 /nfs/dbraw/zinc/35/10/24/347351024.db2.gz QKUZVNQJOIOMNN-UHFFFAOYSA-N 2 1 188.315 0.954 10 0 ACAEMP COCC[N@@H+]1C[C@]2(C)C[NH2+]C[C@]2(C)C1 629598989 347351335 /nfs/dbraw/zinc/35/13/35/347351335.db2.gz ZGHCQESQLCNOCL-PHIMTYICSA-N 2 1 198.310 0.564 10 0 ACAEMP CC[C@@H](C)[N@@H+](C)CCOCC[NH2+]C 629570415 347351414 /nfs/dbraw/zinc/35/14/14/347351414.db2.gz JQUXTBIDLLNKTC-SNVBAGLBSA-N 2 1 188.315 0.953 10 0 ACAEMP CC[C@H](C)[N@@H+](C)CCOCC[NH2+]C 629570414 347351762 /nfs/dbraw/zinc/35/17/62/347351762.db2.gz JQUXTBIDLLNKTC-JTQLQIEISA-N 2 1 188.315 0.953 10 0 ACAEMP C[NH2+]CCOCC[N@@H+](C)CC1CC1 629570854 347352023 /nfs/dbraw/zinc/35/20/23/347352023.db2.gz NXAJOWDTSSMLPY-UHFFFAOYSA-N 2 1 186.299 0.564 10 0 ACAEMP C[C@@H]1[NH2+]CC[C@H]1NCC1CC[NH2+]CC1 629601195 347352624 /nfs/dbraw/zinc/35/26/24/347352624.db2.gz AUTHWQYVQFWGML-GXSJLCMTSA-N 2 1 197.326 0.326 10 0 ACAEMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccn(C)c1 629649674 347353952 /nfs/dbraw/zinc/35/39/52/347353952.db2.gz YXGOJBIFFDFODJ-RKDXNWHRSA-N 2 1 181.283 0.850 10 0 ACAEMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccn(C)c1 629649673 347354077 /nfs/dbraw/zinc/35/40/77/347354077.db2.gz YXGOJBIFFDFODJ-IUCAKERBSA-N 2 1 181.283 0.850 10 0 ACAEMP C[C@H]([NH2+]Cc1ccn(C)c1)[C@@H](C)[NH3+] 629649671 347354243 /nfs/dbraw/zinc/35/42/43/347354243.db2.gz YXGOJBIFFDFODJ-BDAKNGLRSA-N 2 1 181.283 0.850 10 0 ACAEMP C[C@H]([NH3+])[C@@H](C)[NH2+]Cc1ccn(C)c1 629649672 347354273 /nfs/dbraw/zinc/35/42/73/347354273.db2.gz YXGOJBIFFDFODJ-DTWKUNHWSA-N 2 1 181.283 0.850 10 0 ACAEMP C[N@@H+](CCOCC[NH3+])CC1(F)CC1 629667818 347354929 /nfs/dbraw/zinc/35/49/29/347354929.db2.gz XDRBNZGDNMVGOX-UHFFFAOYSA-N 2 1 190.262 0.396 10 0 ACAEMP [NH3+]CCCOCC[NH2+]Cc1cocn1 629679799 347355622 /nfs/dbraw/zinc/35/56/22/347355622.db2.gz OXZAMVKYUFOTAZ-UHFFFAOYSA-N 2 1 199.254 0.130 10 0 ACAEMP CCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] 630354730 347360692 /nfs/dbraw/zinc/36/06/92/347360692.db2.gz ADBPLCKWBHNUDA-NXEZZACHSA-N 2 1 186.299 0.835 10 0 ACAEMP 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/nfs/dbraw/zinc/31/51/19/352315119.db2.gz QTBHMQOJUMGLGJ-XHNCKOQMSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1C[C@@H](C)O 575482272 352315339 /nfs/dbraw/zinc/31/53/39/352315339.db2.gz QTBHMQOJUMGLGJ-YIZRAAEISA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1C[C@@H](C)O 575482272 352315341 /nfs/dbraw/zinc/31/53/41/352315341.db2.gz QTBHMQOJUMGLGJ-YIZRAAEISA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1C[C@@H](C)O 575482262 352315356 /nfs/dbraw/zinc/31/53/56/352315356.db2.gz QTBHMQOJUMGLGJ-DJLDLDEBSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)O 575482262 352315358 /nfs/dbraw/zinc/31/53/58/352315358.db2.gz QTBHMQOJUMGLGJ-DJLDLDEBSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H](O)C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 575482267 352315384 /nfs/dbraw/zinc/31/53/84/352315384.db2.gz QTBHMQOJUMGLGJ-HRDYMLBCSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H](O)C[N@H+]1C[C@H]([NH3+])CC[C@H]1C 575482267 352315387 /nfs/dbraw/zinc/31/53/87/352315387.db2.gz QTBHMQOJUMGLGJ-HRDYMLBCSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 575482265 352315404 /nfs/dbraw/zinc/31/54/04/352315404.db2.gz QTBHMQOJUMGLGJ-HLTSFMKQSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@@H](O)C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 575482265 352315408 /nfs/dbraw/zinc/31/54/08/352315408.db2.gz QTBHMQOJUMGLGJ-HLTSFMKQSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H](O)C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 575482270 352315424 /nfs/dbraw/zinc/31/54/24/352315424.db2.gz QTBHMQOJUMGLGJ-VGMNWLOBSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H](O)C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 575482270 352315428 /nfs/dbraw/zinc/31/54/28/352315428.db2.gz QTBHMQOJUMGLGJ-VGMNWLOBSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H](O)C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C 575482259 352315482 /nfs/dbraw/zinc/31/54/82/352315482.db2.gz QTBHMQOJUMGLGJ-CIUDSAMLSA-N 2 1 172.272 0.179 10 0 ACAEMP C[C@H](O)C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C 575482259 352315483 /nfs/dbraw/zinc/31/54/83/352315483.db2.gz QTBHMQOJUMGLGJ-CIUDSAMLSA-N 2 1 172.272 0.179 10 0 ACAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CC[C@@H](F)C2)C1 575482424 352315791 /nfs/dbraw/zinc/31/57/91/352315791.db2.gz HDLPINUGVFKICO-IWSPIJDZSA-N 2 1 172.247 0.768 10 0 ACAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CC[C@H](F)C2)C1 575482421 352315868 /nfs/dbraw/zinc/31/58/68/352315868.db2.gz HDLPINUGVFKICO-CIUDSAMLSA-N 2 1 172.247 0.768 10 0 ACAEMP [NH3+][C@H]1C[C@H](C[N@@H+]2C[C@H]3C[C@H]3C2)C1 575482824 352317726 /nfs/dbraw/zinc/31/77/26/352317726.db2.gz IYAKELMEMQGKAE-MSLAYNRJSA-N 2 1 166.268 0.675 10 0 ACAEMP C[C@H]1COCC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 575482806 352318005 /nfs/dbraw/zinc/31/80/05/352318005.db2.gz DDZTYIKXXUJJGY-GUBZILKMSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COCC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 575482808 352318081 /nfs/dbraw/zinc/31/80/81/352318081.db2.gz DDZTYIKXXUJJGY-OPRDCNLKSA-N 2 1 184.283 0.444 10 0 ACAEMP [NH3+][C@@H]1CC[N@@H+]([C@]23CCC[C@H]2C3)C1 575482996 352318597 /nfs/dbraw/zinc/31/85/97/352318597.db2.gz ZJDOFTDUWVHGOR-AEJSXWLSSA-N 2 1 166.268 0.962 10 0 ACAEMP [NH3+][C@@H]1CC[N@H+]([C@]23CCC[C@H]2C3)C1 575482996 352318600 /nfs/dbraw/zinc/31/86/00/352318600.db2.gz ZJDOFTDUWVHGOR-AEJSXWLSSA-N 2 1 166.268 0.962 10 0 ACAEMP [NH3+][C@@H]1CC[N@@H+]([C@@]23CCC[C@@H]2C3)C1 575483012 352319250 /nfs/dbraw/zinc/31/92/50/352319250.db2.gz ZJDOFTDUWVHGOR-OPRDCNLKSA-N 2 1 166.268 0.962 10 0 ACAEMP [NH3+][C@@H]1CC[N@H+]([C@@]23CCC[C@@H]2C3)C1 575483012 352319255 /nfs/dbraw/zinc/31/92/55/352319255.db2.gz ZJDOFTDUWVHGOR-OPRDCNLKSA-N 2 1 166.268 0.962 10 0 ACAEMP C[C@H](O)[C@H](C)[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C 575483346 352320845 /nfs/dbraw/zinc/32/08/45/352320845.db2.gz VAXJZFIJWRIVAR-XKNYDFJKSA-N 2 1 186.299 0.567 10 0 ACAEMP C[C@H](O)[C@H](C)[N@H+]1C[C@H]([NH3+])CC[C@H]1C 575483342 352321113 /nfs/dbraw/zinc/32/11/13/352321113.db2.gz VAXJZFIJWRIVAR-XFWSIPNHSA-N 2 1 186.299 0.567 10 0 ACAEMP C[C@H](O)[C@H](C)[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 575483341 352321214 /nfs/dbraw/zinc/32/12/14/352321214.db2.gz VAXJZFIJWRIVAR-KATARQTJSA-N 2 1 186.299 0.567 10 0 ACAEMP C[C@@H]1COC[C@@H]1[N@@H+]1CCC[C@@H]1C[NH3+] 575483708 352323219 /nfs/dbraw/zinc/32/32/19/352323219.db2.gz VXHFDKHPBWPBNW-BBBLOLIVSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COC[C@@H]1[N@H+]1CCC[C@@H]1C[NH3+] 575483708 352323220 /nfs/dbraw/zinc/32/32/20/352323220.db2.gz VXHFDKHPBWPBNW-BBBLOLIVSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COC[C@H]1[N@@H+](C)C1CC([NH3+])C1 575483700 352323253 /nfs/dbraw/zinc/32/32/53/352323253.db2.gz VWXBMAPQVKVLKB-SEZDTBSWSA-N 2 1 184.283 0.443 10 0 ACAEMP C[C@H]1COC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 575483699 352323292 /nfs/dbraw/zinc/32/32/92/352323292.db2.gz VWXBMAPQVKVLKB-NFTFJBJSSA-N 2 1 184.283 0.443 10 0 ACAEMP C[C@H]1COC[C@H]1[N@@H+](C)C1CC([NH3+])C1 575483696 352323308 /nfs/dbraw/zinc/32/33/08/352323308.db2.gz VWXBMAPQVKVLKB-AUXWQGHOSA-N 2 1 184.283 0.443 10 0 ACAEMP C[C@@H]1COC[C@@H]1[N@@H+]1CCC[C@H]1C[NH3+] 575483711 352323322 /nfs/dbraw/zinc/32/33/22/352323322.db2.gz VXHFDKHPBWPBNW-UTLUCORTSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COC[C@@H]1[N@H+]1CCC[C@H]1C[NH3+] 575483711 352323323 /nfs/dbraw/zinc/32/33/23/352323323.db2.gz VXHFDKHPBWPBNW-UTLUCORTSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 575483702 352323349 /nfs/dbraw/zinc/32/33/49/352323349.db2.gz VWXBMAPQVKVLKB-WOOKNIGNSA-N 2 1 184.283 0.443 10 0 ACAEMP CCC[C@H]1COC[C@]1([NH3+])C[NH3+] 575483827 352324016 /nfs/dbraw/zinc/32/40/16/352324016.db2.gz WQJQIGUYYHVNEK-JGVFFNPUSA-N 2 1 158.245 0.089 10 0 ACAEMP C[C@@H]1COC[C@@H]1[N@H+]1CC[C@H](C[NH3+])C1 575483692 352323377 /nfs/dbraw/zinc/32/33/77/352323377.db2.gz VUUNLINHVFIUHP-BBBLOLIVSA-N 2 1 184.283 0.302 10 0 ACAEMP CCC[C@@H]1COC[C@]1([NH3+])C[NH3+] 575483816 352323383 /nfs/dbraw/zinc/32/33/83/352323383.db2.gz WQJQIGUYYHVNEK-HTQZYQBOSA-N 2 1 158.245 0.089 10 0 ACAEMP C[C@@H]1COC[C@H]1[N@H+]1CC[C@@H](C[NH3+])C1 575483693 352323393 /nfs/dbraw/zinc/32/33/93/352323393.db2.gz VUUNLINHVFIUHP-KXUCPTDWSA-N 2 1 184.283 0.302 10 0 ACAEMP C[C@@H]1COC[C@H]1[N@H+]1CCC[C@@H]1C[NH3+] 575483710 352323446 /nfs/dbraw/zinc/32/34/46/352323446.db2.gz VXHFDKHPBWPBNW-OPRDCNLKSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COC[C@H]1[N@@H+]1CCC[C@@H]1C[NH3+] 575483710 352323443 /nfs/dbraw/zinc/32/34/43/352323443.db2.gz VXHFDKHPBWPBNW-OPRDCNLKSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COC[C@@H]1[N@H+]1CC[C@@H](C[NH3+])C1 575483695 352323459 /nfs/dbraw/zinc/32/34/59/352323459.db2.gz VUUNLINHVFIUHP-UTLUCORTSA-N 2 1 184.283 0.302 10 0 ACAEMP C[C@@H]1COC[C@H]1[N@H+]1CC[C@H](C[NH3+])C1 575483694 352323488 /nfs/dbraw/zinc/32/34/88/352323488.db2.gz VUUNLINHVFIUHP-OPRDCNLKSA-N 2 1 184.283 0.302 10 0 ACAEMP C[C@@H]1COC[C@H]1[N@@H+]1CCC[C@H]1C[NH3+] 575483709 352323622 /nfs/dbraw/zinc/32/36/22/352323622.db2.gz VXHFDKHPBWPBNW-KXUCPTDWSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COC[C@H]1[N@H+]1CCC[C@H]1C[NH3+] 575483709 352323625 /nfs/dbraw/zinc/32/36/25/352323625.db2.gz VXHFDKHPBWPBNW-KXUCPTDWSA-N 2 1 184.283 0.444 10 0 ACAEMP CCC[C@@H]1COC[C@@]1([NH3+])C[NH3+] 575483831 352324173 /nfs/dbraw/zinc/32/41/73/352324173.db2.gz WQJQIGUYYHVNEK-SFYZADRCSA-N 2 1 158.245 0.089 10 0 ACAEMP CCC[C@H]1COC[C@@]1([NH3+])C[NH3+] 575483832 352324222 /nfs/dbraw/zinc/32/42/22/352324222.db2.gz WQJQIGUYYHVNEK-YUMQZZPRSA-N 2 1 158.245 0.089 10 0 ACAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](F)C2)C1 575484012 352324822 /nfs/dbraw/zinc/32/48/22/352324822.db2.gz HDLPINUGVFKICO-HLTSFMKQSA-N 2 1 172.247 0.768 10 0 ACAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](F)C2)C1 575484014 352324921 /nfs/dbraw/zinc/32/49/21/352324921.db2.gz HDLPINUGVFKICO-XHNCKOQMSA-N 2 1 172.247 0.768 10 0 ACAEMP C[C@H]1COC[C@@]1(C[NH3+])[NH+]1CCCC1 575484163 352325387 /nfs/dbraw/zinc/32/53/87/352325387.db2.gz XHEKZAZLOLKLDS-VHSXEESVSA-N 2 1 184.283 0.446 10 0 ACAEMP C[C@@H]1COC[C@@]1(C[NH3+])[NH+]1CCCC1 575484161 352325664 /nfs/dbraw/zinc/32/56/64/352325664.db2.gz XHEKZAZLOLKLDS-NXEZZACHSA-N 2 1 184.283 0.446 10 0 ACAEMP C[C@@H]1COC[C@]1(C[NH3+])[NH+]1CCCC1 575484164 352325777 /nfs/dbraw/zinc/32/57/77/352325777.db2.gz XHEKZAZLOLKLDS-ZJUUUORDSA-N 2 1 184.283 0.446 10 0 ACAEMP C[C@H]1COC[C@]1(C[NH3+])[NH+]1CCCC1 575484162 352325780 /nfs/dbraw/zinc/32/57/80/352325780.db2.gz XHEKZAZLOLKLDS-UWVGGRQHSA-N 2 1 184.283 0.446 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]C1CC(F)(F)C1 575484252 352326126 /nfs/dbraw/zinc/32/61/26/352326126.db2.gz SQUYPDDYYUHOAE-YFKPBYRVSA-N 2 1 164.199 0.721 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]C1CC(F)(F)C1 575484251 352326298 /nfs/dbraw/zinc/32/62/98/352326298.db2.gz SQUYPDDYYUHOAE-RXMQYKEDSA-N 2 1 164.199 0.721 10 0 ACAEMP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2COC[C@H]2C1 575484403 352326807 /nfs/dbraw/zinc/32/68/07/352326807.db2.gz ILYNKQAOUVGTCO-KXUCPTDWSA-N 2 1 184.283 0.302 10 0 ACAEMP C[C@H]([NH3+])C[N@H+]1CC[C@H]2COC[C@@H]2C1 575484395 352326826 /nfs/dbraw/zinc/32/68/26/352326826.db2.gz ILYNKQAOUVGTCO-GUBZILKMSA-N 2 1 184.283 0.302 10 0 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C[NH2+][C@@H]1CO[C@@]2(CC[N@@H+](C)C2)C1 575508213 352445894 /nfs/dbraw/zinc/44/58/94/352445894.db2.gz PJBVQWUSTVFVLX-IUCAKERBSA-N 2 1 170.256 0.069 10 0 ACAEMP C[NH2+][C@@H]1CO[C@]2(CC[N@@H+](C)C2)C1 575508212 352446401 /nfs/dbraw/zinc/44/64/01/352446401.db2.gz PJBVQWUSTVFVLX-DTWKUNHWSA-N 2 1 170.256 0.069 10 0 ACAEMP C[NH2+][C@H]1CO[C@@]2(CC[N@@H+](C)C2)C1 575508209 352446411 /nfs/dbraw/zinc/44/64/11/352446411.db2.gz PJBVQWUSTVFVLX-BDAKNGLRSA-N 2 1 170.256 0.069 10 0 ACAEMP C[NH2+][C@H]1CO[C@]2(CC[N@@H+](C)C2)C1 575508215 352446460 /nfs/dbraw/zinc/44/64/60/352446460.db2.gz PJBVQWUSTVFVLX-RKDXNWHRSA-N 2 1 170.256 0.069 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@]12C[C@@H]([NH3+])CO2 575508472 352447518 /nfs/dbraw/zinc/44/75/18/352447518.db2.gz MEYOKIHCRYMVLQ-BBBLOLIVSA-N 2 1 184.283 0.444 10 0 ACAEMP C[N@H+]1CCC[C@@]2(CC1)C[C@H]([NH3+])CO2 575508529 352447545 /nfs/dbraw/zinc/44/75/45/352447545.db2.gz NJAYKCZAUQJMTF-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@@]12C[C@H]([NH3+])CO2 575508474 352447579 /nfs/dbraw/zinc/44/75/79/352447579.db2.gz MEYOKIHCRYMVLQ-KXUCPTDWSA-N 2 1 184.283 0.444 10 0 ACAEMP C[N@H+]1CCC[C@@]2(CC1)C[C@@H]([NH3+])CO2 575508527 352447608 /nfs/dbraw/zinc/44/76/08/352447608.db2.gz NJAYKCZAUQJMTF-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@]12C[C@H]([NH3+])CO2 575508479 352447615 /nfs/dbraw/zinc/44/76/15/352447615.db2.gz MEYOKIHCRYMVLQ-UTLUCORTSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@@]12C[C@@H]([NH3+])CO2 575508476 352447737 /nfs/dbraw/zinc/44/77/37/352447737.db2.gz MEYOKIHCRYMVLQ-OPRDCNLKSA-N 2 1 184.283 0.444 10 0 ACAEMP C[N@H+]1CCC[C@]2(CC1)C[C@H]([NH3+])CO2 575508528 352447775 /nfs/dbraw/zinc/44/77/75/352447775.db2.gz NJAYKCZAUQJMTF-UWVGGRQHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[N@H+]1CCC[C@]2(CC1)C[C@@H]([NH3+])CO2 575508530 352448331 /nfs/dbraw/zinc/44/83/31/352448331.db2.gz NJAYKCZAUQJMTF-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP CC(C)[N@H+]1CC[C@@]2(C[C@@H]([NH3+])CO2)C1 575508862 352449553 /nfs/dbraw/zinc/44/95/53/352449553.db2.gz PPIUCVOMPCCEGQ-NXEZZACHSA-N 2 1 184.283 0.587 10 0 ACAEMP CCC[N@H+]1CC[C@@]2(C[C@H]([NH3+])CO2)C1 575508824 352449628 /nfs/dbraw/zinc/44/96/28/352449628.db2.gz PEIBXXDWMKWPAZ-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP CC(C)[N@H+]1CC[C@]2(C[C@@H]([NH3+])CO2)C1 575508869 352449641 /nfs/dbraw/zinc/44/96/41/352449641.db2.gz PPIUCVOMPCCEGQ-ZJUUUORDSA-N 2 1 184.283 0.587 10 0 ACAEMP CC(C)[N@H+]1CC[C@@]2(C[C@H]([NH3+])CO2)C1 575508866 352449654 /nfs/dbraw/zinc/44/96/54/352449654.db2.gz PPIUCVOMPCCEGQ-VHSXEESVSA-N 2 1 184.283 0.587 10 0 ACAEMP CC(C)[N@H+]1CC[C@]2(C[C@H]([NH3+])CO2)C1 575508864 352449672 /nfs/dbraw/zinc/44/96/72/352449672.db2.gz PPIUCVOMPCCEGQ-UWVGGRQHSA-N 2 1 184.283 0.587 10 0 ACAEMP CCC[N@H+]1CC[C@]2(C[C@@H]([NH3+])CO2)C1 575508825 352449708 /nfs/dbraw/zinc/44/97/08/352449708.db2.gz PEIBXXDWMKWPAZ-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP CCC[N@H+]1CC[C@]2(C[C@H]([NH3+])CO2)C1 575508823 352449876 /nfs/dbraw/zinc/44/98/76/352449876.db2.gz PEIBXXDWMKWPAZ-UWVGGRQHSA-N 2 1 184.283 0.589 10 0 ACAEMP CCC[N@H+]1CC[C@@]2(C[C@@H]([NH3+])CO2)C1 575508821 352449891 /nfs/dbraw/zinc/44/98/91/352449891.db2.gz PEIBXXDWMKWPAZ-NXEZZACHSA-N 2 1 184.283 0.589 10 0 ACAEMP [NH3+][C@@H]1CO[C@]2(CC[N@H+]3CCC[C@H]32)C1 575509586 352454587 /nfs/dbraw/zinc/45/45/87/352454587.db2.gz XKYHCRHGZJAVQA-LPEHRKFASA-N 2 1 182.267 0.341 10 0 ACAEMP [NH3+][C@@H]1CO[C@@]2(CC[N@H+]3CCC[C@@H]32)C1 575509583 352454608 /nfs/dbraw/zinc/45/46/08/352454608.db2.gz XKYHCRHGZJAVQA-AEJSXWLSSA-N 2 1 182.267 0.341 10 0 ACAEMP [NH3+][C@@H]1CO[C@@]2(CC[N@H+]3CCC[C@H]32)C1 575509584 352454616 /nfs/dbraw/zinc/45/46/16/352454616.db2.gz XKYHCRHGZJAVQA-GUBZILKMSA-N 2 1 182.267 0.341 10 0 ACAEMP C[NH2+][C@H]1CO[C@]2(CCC[N@@H+](C)C2)C1 575509705 352455202 /nfs/dbraw/zinc/45/52/02/352455202.db2.gz ZOQGQDYHSCUICV-NXEZZACHSA-N 2 1 184.283 0.459 10 0 ACAEMP [NH3+][C@@H]1CO[C@]2(CC[N@H+]3CCC[C@@H]32)C1 575509585 352454744 /nfs/dbraw/zinc/45/47/44/352454744.db2.gz XKYHCRHGZJAVQA-IVZWLZJFSA-N 2 1 182.267 0.341 10 0 ACAEMP C[NH2+][C@H]1CO[C@@]2(CCC[N@@H+](C)C2)C1 575509708 352455159 /nfs/dbraw/zinc/45/51/59/352455159.db2.gz ZOQGQDYHSCUICV-ZJUUUORDSA-N 2 1 184.283 0.459 10 0 ACAEMP C[NH2+][C@@H]1CO[C@]2(CCC[N@@H+](C)C2)C1 575509707 352455211 /nfs/dbraw/zinc/45/52/11/352455211.db2.gz ZOQGQDYHSCUICV-VHSXEESVSA-N 2 1 184.283 0.459 10 0 ACAEMP C[NH2+][C@@H]1CO[C@@]2(CCC[N@@H+](C)C2)C1 575509706 352455268 /nfs/dbraw/zinc/45/52/68/352455268.db2.gz ZOQGQDYHSCUICV-UWVGGRQHSA-N 2 1 184.283 0.459 10 0 ACAEMP CC(=[NH2+])NCc1c[nH+]c(C)n1C 575510774 352461811 /nfs/dbraw/zinc/46/18/11/352461811.db2.gz MQKSXWIQLQFGJH-UHFFFAOYSA-N 2 1 166.228 0.815 10 0 ACAEMP C[C@H]1C[C@@H]([NH2+]C2CN(C)C2)CC[NH2+]1 575510987 352463070 /nfs/dbraw/zinc/46/30/70/352463070.db2.gz ABYBYDPOHOVYCK-IUCAKERBSA-N 2 1 183.299 0.031 10 0 ACAEMP C[C@H]1C[C@H]([NH2+]C2CN(C)C2)CC[NH2+]1 575510982 352463138 /nfs/dbraw/zinc/46/31/38/352463138.db2.gz ABYBYDPOHOVYCK-DTWKUNHWSA-N 2 1 183.299 0.031 10 0 ACAEMP C[C@@H]1C[C@@H]([NH2+]C2CN(C)C2)CC[NH2+]1 575510980 352463148 /nfs/dbraw/zinc/46/31/48/352463148.db2.gz ABYBYDPOHOVYCK-BDAKNGLRSA-N 2 1 183.299 0.031 10 0 ACAEMP C[C@@H]1C[C@H]([NH2+]C2CN(C)C2)CC[NH2+]1 575510990 352463157 /nfs/dbraw/zinc/46/31/57/352463157.db2.gz ABYBYDPOHOVYCK-RKDXNWHRSA-N 2 1 183.299 0.031 10 0 ACAEMP CC[NH2+][C@H]1CO[C@@]2(CC[N@@H+](C)C2)C1 575511041 352463575 /nfs/dbraw/zinc/46/35/75/352463575.db2.gz JPLZFFWWBBZNSL-ZJUUUORDSA-N 2 1 184.283 0.459 10 0 ACAEMP CC[NH2+][C@@H]1CO[C@@]2(CC[N@@H+](C)C2)C1 575511037 352463736 /nfs/dbraw/zinc/46/37/36/352463736.db2.gz JPLZFFWWBBZNSL-UWVGGRQHSA-N 2 1 184.283 0.459 10 0 ACAEMP CC[NH2+][C@@H]1CO[C@]2(CC[N@@H+](C)C2)C1 575511039 352463792 /nfs/dbraw/zinc/46/37/92/352463792.db2.gz JPLZFFWWBBZNSL-VHSXEESVSA-N 2 1 184.283 0.459 10 0 ACAEMP CC[NH2+][C@H]1CO[C@]2(CC[N@@H+](C)C2)C1 575511034 352463930 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UOXAPPKKNSQDER-HTQZYQBOSA-N 2 1 160.236 0.686 10 0 ACAEMP [NH3+]CC[NH2+][C@@H]1CCCSCC1 575513314 352477009 /nfs/dbraw/zinc/47/70/09/352477009.db2.gz QRBORRJRPRRVCK-MRVPVSSYSA-N 2 1 174.313 0.820 10 0 ACAEMP C[C@H]1C[C@@H]([NH2+]CCF)CC[NH2+]1 575513340 352477050 /nfs/dbraw/zinc/47/70/50/352477050.db2.gz UOXAPPKKNSQDER-YUMQZZPRSA-N 2 1 160.236 0.686 10 0 ACAEMP [NH3+]CC[NH2+][C@H]1CCCSCC1 575513315 352477270 /nfs/dbraw/zinc/47/72/70/352477270.db2.gz QRBORRJRPRRVCK-QMMMGPOBSA-N 2 1 174.313 0.820 10 0 ACAEMP C[C@H]1C[C@H]([NH2+]CCF)CC[NH2+]1 575513338 352477318 /nfs/dbraw/zinc/47/73/18/352477318.db2.gz UOXAPPKKNSQDER-JGVFFNPUSA-N 2 1 160.236 0.686 10 0 ACAEMP C[C@@H]1C[C@@H]([NH2+]CCF)CC[NH2+]1 575513339 352477520 /nfs/dbraw/zinc/47/75/20/352477520.db2.gz UOXAPPKKNSQDER-SFYZADRCSA-N 2 1 160.236 0.686 10 0 ACAEMP CC1([N@@H+]2CC[C@H]2C[NH3+])CCOCC1 575513409 352478045 /nfs/dbraw/zinc/47/80/45/352478045.db2.gz AZEILRSUCXIDGY-VIFPVBQESA-N 2 1 184.283 0.589 10 0 ACAEMP CC1([N@H+]2CC[C@H]2C[NH3+])CCOCC1 575513409 352478048 /nfs/dbraw/zinc/47/80/48/352478048.db2.gz AZEILRSUCXIDGY-VIFPVBQESA-N 2 1 184.283 0.589 10 0 ACAEMP CC1([N@@H+]2CC[C@@H]2C[NH3+])CCOCC1 575513408 352478277 /nfs/dbraw/zinc/47/82/77/352478277.db2.gz AZEILRSUCXIDGY-SECBINFHSA-N 2 1 184.283 0.589 10 0 ACAEMP CC1([N@H+]2CC[C@@H]2C[NH3+])CCOCC1 575513408 352478278 /nfs/dbraw/zinc/47/82/78/352478278.db2.gz AZEILRSUCXIDGY-SECBINFHSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@@H]1COCC[C@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575513675 352479495 /nfs/dbraw/zinc/47/94/95/352479495.db2.gz FGEIOJTXHXNYDR-OPRDCNLKSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COCC[C@H]1[N@H+]1CC[C@@H]1C[NH3+] 575513675 352479497 /nfs/dbraw/zinc/47/94/97/352479497.db2.gz FGEIOJTXHXNYDR-OPRDCNLKSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H](C1CC1)[N@@H+]1CC[C@@H]1C[NH3+] 575513661 352479515 /nfs/dbraw/zinc/47/95/15/352479515.db2.gz DUUQVGDWAAIIEF-IONNQARKSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H](C1CC1)[N@H+]1CC[C@@H]1C[NH3+] 575513661 352479517 /nfs/dbraw/zinc/47/95/17/352479517.db2.gz DUUQVGDWAAIIEF-IONNQARKSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H](C1CC1)[N@@H+]1CC[C@@H]1C[NH3+] 575513662 352479585 /nfs/dbraw/zinc/47/95/85/352479585.db2.gz DUUQVGDWAAIIEF-VXNVDRBHSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H](C1CC1)[N@H+]1CC[C@@H]1C[NH3+] 575513662 352479587 /nfs/dbraw/zinc/47/95/87/352479587.db2.gz DUUQVGDWAAIIEF-VXNVDRBHSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H](C1CC1)[N@@H+]1CC[C@H]1C[NH3+] 575513660 352479625 /nfs/dbraw/zinc/47/96/25/352479625.db2.gz DUUQVGDWAAIIEF-CBAPKCEASA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H](C1CC1)[N@H+]1CC[C@H]1C[NH3+] 575513660 352479628 /nfs/dbraw/zinc/47/96/28/352479628.db2.gz DUUQVGDWAAIIEF-CBAPKCEASA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H](C1CC1)[N@@H+]1CC[C@H]1C[NH3+] 575513659 352479643 /nfs/dbraw/zinc/47/96/43/352479643.db2.gz DUUQVGDWAAIIEF-APPZFPTMSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H](C1CC1)[N@H+]1CC[C@H]1C[NH3+] 575513659 352479646 /nfs/dbraw/zinc/47/96/46/352479646.db2.gz DUUQVGDWAAIIEF-APPZFPTMSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1COCC[C@@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575513673 352479765 /nfs/dbraw/zinc/47/97/65/352479765.db2.gz FGEIOJTXHXNYDR-BBBLOLIVSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COCC[C@@H]1[N@H+]1CC[C@@H]1C[NH3+] 575513673 352479766 /nfs/dbraw/zinc/47/97/66/352479766.db2.gz FGEIOJTXHXNYDR-BBBLOLIVSA-N 2 1 184.283 0.444 10 0 ACAEMP [NH3+]C[C@H]1CC[N@@H+]1[C@H]1C[C@@H]2C[C@@H]2C1 575513716 352479798 /nfs/dbraw/zinc/47/97/98/352479798.db2.gz FVPYQIUYOAZTIZ-UTINFBMNSA-N 2 1 166.268 0.818 10 0 ACAEMP [NH3+]C[C@H]1CC[N@H+]1[C@H]1C[C@@H]2C[C@@H]2C1 575513716 352479801 /nfs/dbraw/zinc/47/98/01/352479801.db2.gz FVPYQIUYOAZTIZ-UTINFBMNSA-N 2 1 166.268 0.818 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@H]1C[C@@H]2C[C@@H]2C1 575513714 352479861 /nfs/dbraw/zinc/47/98/61/352479861.db2.gz FVPYQIUYOAZTIZ-JXUBOQSCSA-N 2 1 166.268 0.818 10 0 ACAEMP C[C@@H]1COCC[C@@H]1[N@@H+]1CC[C@H]1C[NH3+] 575513676 352479881 /nfs/dbraw/zinc/47/98/81/352479881.db2.gz FGEIOJTXHXNYDR-UTLUCORTSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COCC[C@@H]1[N@H+]1CC[C@H]1C[NH3+] 575513676 352479883 /nfs/dbraw/zinc/47/98/83/352479883.db2.gz FGEIOJTXHXNYDR-UTLUCORTSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COCC[C@H]1[N@@H+]1CC[C@H]1C[NH3+] 575513674 352480076 /nfs/dbraw/zinc/48/00/76/352480076.db2.gz FGEIOJTXHXNYDR-KXUCPTDWSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1COCC[C@H]1[N@H+]1CC[C@H]1C[NH3+] 575513674 352480079 /nfs/dbraw/zinc/48/00/79/352480079.db2.gz FGEIOJTXHXNYDR-KXUCPTDWSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H](C[NH3+])C[N@@H+]1CC[C@@H](F)C1 575513903 352480405 /nfs/dbraw/zinc/48/04/05/352480405.db2.gz BGVVUVUEAPJZSQ-JGVFFNPUSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+]1CC[C@@H](F)C1 575513903 352480408 /nfs/dbraw/zinc/48/04/08/352480408.db2.gz BGVVUVUEAPJZSQ-JGVFFNPUSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@H](C[NH3+])C[N@@H+]1CC[C@H](F)C1 575513904 352480465 /nfs/dbraw/zinc/48/04/65/352480465.db2.gz BGVVUVUEAPJZSQ-SFYZADRCSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@H](C[NH3+])C[N@H+]1CC[C@H](F)C1 575513904 352480467 /nfs/dbraw/zinc/48/04/67/352480467.db2.gz BGVVUVUEAPJZSQ-SFYZADRCSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@H](C[NH3+])C[N@@H+]1CC[C@@H](F)C1 575513902 352480528 /nfs/dbraw/zinc/48/05/28/352480528.db2.gz BGVVUVUEAPJZSQ-HTQZYQBOSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@H](C[NH3+])C[N@H+]1CC[C@@H](F)C1 575513902 352480530 /nfs/dbraw/zinc/48/05/30/352480530.db2.gz BGVVUVUEAPJZSQ-HTQZYQBOSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@@H](C[NH3+])C[N@@H+]1CC[C@H](F)C1 575513905 352480547 /nfs/dbraw/zinc/48/05/47/352480547.db2.gz BGVVUVUEAPJZSQ-YUMQZZPRSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@@H](C[NH3+])C[N@H+]1CC[C@H](F)C1 575513905 352480550 /nfs/dbraw/zinc/48/05/50/352480550.db2.gz BGVVUVUEAPJZSQ-YUMQZZPRSA-N 2 1 160.236 0.625 10 0 ACAEMP C[N@H+]1CCC[C@H](N2CC[C@H]2C[NH3+])C1 575514362 352483380 /nfs/dbraw/zinc/48/33/80/352483380.db2.gz JPSNCFMKEZBHCK-UWVGGRQHSA-N 2 1 183.299 0.114 10 0 ACAEMP C[N@H+]1CCC[C@H](N2CC[C@@H]2C[NH3+])C1 575514364 352483581 /nfs/dbraw/zinc/48/35/81/352483581.db2.gz JPSNCFMKEZBHCK-ZJUUUORDSA-N 2 1 183.299 0.114 10 0 ACAEMP C[N@H+]1CCC[C@@H](N2CC[C@H]2C[NH3+])C1 575514363 352483590 /nfs/dbraw/zinc/48/35/90/352483590.db2.gz JPSNCFMKEZBHCK-VHSXEESVSA-N 2 1 183.299 0.114 10 0 ACAEMP C[NH2+]CC[N@@H+]1C[C@H]2CC[C@H]2C1 575526721 352541182 /nfs/dbraw/zinc/54/11/82/352541182.db2.gz YEMDTGPSGGYZIH-DTORHVGOSA-N 2 1 154.257 0.548 10 0 ACAEMP C[N@H+]1CCC[C@@H](N2CC[C@@H]2C[NH3+])C1 575514361 352483749 /nfs/dbraw/zinc/48/37/49/352483749.db2.gz JPSNCFMKEZBHCK-NXEZZACHSA-N 2 1 183.299 0.114 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@@]12CCC[C@@H]1C2 575514339 352483763 /nfs/dbraw/zinc/48/37/63/352483763.db2.gz JFGYPGJRULEDEC-KXUCPTDWSA-N 2 1 166.268 0.962 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@@]12CCC[C@@H]1C2 575514339 352483766 /nfs/dbraw/zinc/48/37/66/352483766.db2.gz JFGYPGJRULEDEC-KXUCPTDWSA-N 2 1 166.268 0.962 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@]12CCC[C@H]1C2 575514338 352483806 /nfs/dbraw/zinc/48/38/06/352483806.db2.gz JFGYPGJRULEDEC-GUBZILKMSA-N 2 1 166.268 0.962 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@]12CCC[C@H]1C2 575514338 352483808 /nfs/dbraw/zinc/48/38/08/352483808.db2.gz JFGYPGJRULEDEC-GUBZILKMSA-N 2 1 166.268 0.962 10 0 ACAEMP C[C@@H]([NH3+])CC[N@@H+]1CC[C@H](F)C1 575515191 352487290 /nfs/dbraw/zinc/48/72/90/352487290.db2.gz NHGYWEUMKJUSMB-SFYZADRCSA-N 2 1 160.236 0.768 10 0 ACAEMP C[C@@H]([NH3+])CC[N@H+]1CC[C@H](F)C1 575515191 352487293 /nfs/dbraw/zinc/48/72/93/352487293.db2.gz NHGYWEUMKJUSMB-SFYZADRCSA-N 2 1 160.236 0.768 10 0 ACAEMP C[C@@H]([NH3+])CC[N@@H+]1CC[C@@H](F)C1 575515188 352487351 /nfs/dbraw/zinc/48/73/51/352487351.db2.gz NHGYWEUMKJUSMB-HTQZYQBOSA-N 2 1 160.236 0.768 10 0 ACAEMP C[C@@H]([NH3+])CC[N@H+]1CC[C@@H](F)C1 575515188 352487352 /nfs/dbraw/zinc/48/73/52/352487352.db2.gz NHGYWEUMKJUSMB-HTQZYQBOSA-N 2 1 160.236 0.768 10 0 ACAEMP C[C@H]([NH3+])CC[N@@H+]1CC[C@H](F)C1 575515192 352487358 /nfs/dbraw/zinc/48/73/58/352487358.db2.gz NHGYWEUMKJUSMB-YUMQZZPRSA-N 2 1 160.236 0.768 10 0 ACAEMP C[C@H]([NH3+])CC[N@H+]1CC[C@H](F)C1 575515192 352487362 /nfs/dbraw/zinc/48/73/62/352487362.db2.gz NHGYWEUMKJUSMB-YUMQZZPRSA-N 2 1 160.236 0.768 10 0 ACAEMP C[C@H]([NH3+])CC[N@@H+]1CC[C@@H](F)C1 575515189 352487727 /nfs/dbraw/zinc/48/77/27/352487727.db2.gz NHGYWEUMKJUSMB-JGVFFNPUSA-N 2 1 160.236 0.768 10 0 ACAEMP C[C@H]([NH3+])CC[N@H+]1CC[C@@H](F)C1 575515189 352487729 /nfs/dbraw/zinc/48/77/29/352487729.db2.gz NHGYWEUMKJUSMB-JGVFFNPUSA-N 2 1 160.236 0.768 10 0 ACAEMP C[C@@H]1CC[C@H]1[N@@H+]1CC[C@H]1C[NH3+] 575515284 352488116 /nfs/dbraw/zinc/48/81/16/352488116.db2.gz PWKJMRPOFGEXLD-HRDYMLBCSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1CC[C@H]1[N@H+]1CC[C@H]1C[NH3+] 575515284 352488119 /nfs/dbraw/zinc/48/81/19/352488119.db2.gz PWKJMRPOFGEXLD-HRDYMLBCSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1CC[C@@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575515282 352488238 /nfs/dbraw/zinc/48/82/38/352488238.db2.gz PWKJMRPOFGEXLD-HLTSFMKQSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H]1C[NH3+] 575515282 352488241 /nfs/dbraw/zinc/48/82/41/352488241.db2.gz PWKJMRPOFGEXLD-HLTSFMKQSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1CC[C@@H]1[N@@H+]1CC[C@H]1C[NH3+] 575515288 352488393 /nfs/dbraw/zinc/48/83/93/352488393.db2.gz PWKJMRPOFGEXLD-VGMNWLOBSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1CC[C@@H]1[N@H+]1CC[C@H]1C[NH3+] 575515288 352488395 /nfs/dbraw/zinc/48/83/95/352488395.db2.gz PWKJMRPOFGEXLD-VGMNWLOBSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1CC[C@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575515286 352488495 /nfs/dbraw/zinc/48/84/95/352488495.db2.gz PWKJMRPOFGEXLD-IWSPIJDZSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1CC[C@H]1[N@H+]1CC[C@@H]1C[NH3+] 575515286 352488498 /nfs/dbraw/zinc/48/84/98/352488498.db2.gz PWKJMRPOFGEXLD-IWSPIJDZSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]2CN)CCO1 575515465 352489060 /nfs/dbraw/zinc/48/90/60/352489060.db2.gz RHKYRBIFDQFJJU-OPRDCNLKSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]2CN)CCO1 575515465 352489063 /nfs/dbraw/zinc/48/90/63/352489063.db2.gz RHKYRBIFDQFJJU-OPRDCNLKSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]2C[NH3+])CCO1 575515465 352489065 /nfs/dbraw/zinc/48/90/65/352489065.db2.gz RHKYRBIFDQFJJU-OPRDCNLKSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]2C[NH3+])CCO1 575515465 352489066 /nfs/dbraw/zinc/48/90/66/352489066.db2.gz RHKYRBIFDQFJJU-OPRDCNLKSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]2CN)CCO1 575515461 352489111 /nfs/dbraw/zinc/48/91/11/352489111.db2.gz RHKYRBIFDQFJJU-BBBLOLIVSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]2CN)CCO1 575515461 352489113 /nfs/dbraw/zinc/48/91/13/352489113.db2.gz RHKYRBIFDQFJJU-BBBLOLIVSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]2C[NH3+])CCO1 575515461 352489116 /nfs/dbraw/zinc/48/91/16/352489116.db2.gz RHKYRBIFDQFJJU-BBBLOLIVSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]2C[NH3+])CCO1 575515461 352489119 /nfs/dbraw/zinc/48/91/19/352489119.db2.gz RHKYRBIFDQFJJU-BBBLOLIVSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]2CN)CCO1 575515466 352489151 /nfs/dbraw/zinc/48/91/51/352489151.db2.gz RHKYRBIFDQFJJU-UTLUCORTSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]2CN)CCO1 575515466 352489154 /nfs/dbraw/zinc/48/91/54/352489154.db2.gz RHKYRBIFDQFJJU-UTLUCORTSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]2C[NH3+])CCO1 575515466 352489157 /nfs/dbraw/zinc/48/91/57/352489157.db2.gz RHKYRBIFDQFJJU-UTLUCORTSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]2C[NH3+])CCO1 575515466 352489159 /nfs/dbraw/zinc/48/91/59/352489159.db2.gz RHKYRBIFDQFJJU-UTLUCORTSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]2CN)CCO1 575515463 352489207 /nfs/dbraw/zinc/48/92/07/352489207.db2.gz RHKYRBIFDQFJJU-KXUCPTDWSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]2CN)CCO1 575515463 352489208 /nfs/dbraw/zinc/48/92/08/352489208.db2.gz RHKYRBIFDQFJJU-KXUCPTDWSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]2C[NH3+])CCO1 575515463 352489212 /nfs/dbraw/zinc/48/92/12/352489212.db2.gz RHKYRBIFDQFJJU-KXUCPTDWSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]2C[NH3+])CCO1 575515463 352489215 /nfs/dbraw/zinc/48/92/15/352489215.db2.gz RHKYRBIFDQFJJU-KXUCPTDWSA-N 2 1 184.283 0.587 10 0 ACAEMP [NH3+][C@@H]1CC[C@@H]([N@H+]2CC[C@H](F)C2)C1 575515540 352489839 /nfs/dbraw/zinc/48/98/39/352489839.db2.gz PWSZKGYFAPZDEH-DJLDLDEBSA-N 2 1 172.247 0.910 10 0 ACAEMP [NH3+][C@@H]1CC[C@H]([N@H+]2CC[C@@H](F)C2)C1 575515541 352489973 /nfs/dbraw/zinc/48/99/73/352489973.db2.gz PWSZKGYFAPZDEH-HLTSFMKQSA-N 2 1 172.247 0.910 10 0 ACAEMP [NH3+][C@@H]1CC[C@H]([N@H+]2CC[C@H](F)C2)C1 575515543 352489987 /nfs/dbraw/zinc/48/99/87/352489987.db2.gz PWSZKGYFAPZDEH-YIZRAAEISA-N 2 1 172.247 0.910 10 0 ACAEMP [NH3+][C@@H]1CC[C@@H]([N@H+]2CC[C@@H](F)C2)C1 575515542 352490072 /nfs/dbraw/zinc/49/00/72/352490072.db2.gz PWSZKGYFAPZDEH-IWSPIJDZSA-N 2 1 172.247 0.910 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1CCCOCC1 575515720 352490229 /nfs/dbraw/zinc/49/02/29/352490229.db2.gz SOLJSHICCQUIJK-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@@H]1CCCOCC1 575515720 352490232 /nfs/dbraw/zinc/49/02/32/352490232.db2.gz SOLJSHICCQUIJK-ZJUUUORDSA-N 2 1 184.283 0.589 10 0 ACAEMP [NH3+]C[C@H]1CC[N@H+]1[C@H]1CCCOCC1 575515719 352490493 /nfs/dbraw/zinc/49/04/93/352490493.db2.gz SOLJSHICCQUIJK-VHSXEESVSA-N 2 1 184.283 0.589 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@H]1CCCOCC1 575515718 352490598 /nfs/dbraw/zinc/49/05/98/352490598.db2.gz SOLJSHICCQUIJK-UWVGGRQHSA-N 2 1 184.283 0.589 10 0 ACAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@H]1CCCOCC1 575515718 352490601 /nfs/dbraw/zinc/49/06/01/352490601.db2.gz SOLJSHICCQUIJK-UWVGGRQHSA-N 2 1 184.283 0.589 10 0 ACAEMP CC1([N@@H+]2CC[C@@H]2C[NH3+])CCC1 575515752 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0 ACAEMP C[NH2+]C1CC[NH+]([C@@H]2CC[C@@H]2O)CC1 575538130 352593597 /nfs/dbraw/zinc/59/35/97/352593597.db2.gz PLYQKDGIONODLQ-ZJUUUORDSA-N 2 1 184.283 0.194 10 0 ACAEMP [NH3+][C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 575538241 352594387 /nfs/dbraw/zinc/59/43/87/352594387.db2.gz LRILYPLFLZLAGB-IMSYWVGJSA-N 2 1 166.268 0.960 10 0 ACAEMP [NH3+][C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 575538244 352594415 /nfs/dbraw/zinc/59/44/15/352594415.db2.gz LRILYPLFLZLAGB-QCLAVDOMSA-N 2 1 166.268 0.960 10 0 ACAEMP [NH3+]C1(C[N@@H+]2C[C@H]3CCC[C@@H]32)CC1 575538480 352594861 /nfs/dbraw/zinc/59/48/61/352594861.db2.gz NEIFTABABZLNLW-BDAKNGLRSA-N 2 1 166.268 0.962 10 0 ACAEMP [NH3+]C1(C[N@H+]2C[C@H]3CCC[C@@H]32)CC1 575538480 352594862 /nfs/dbraw/zinc/59/48/62/352594862.db2.gz NEIFTABABZLNLW-BDAKNGLRSA-N 2 1 166.268 0.962 10 0 ACAEMP CC[C@H](C[NH3+])[N@@H+]1CC[C@H]2C[C@H]21 575538499 352594894 /nfs/dbraw/zinc/59/48/94/352594894.db2.gz NJKKQNKTPYREQQ-DJLDLDEBSA-N 2 1 154.257 0.818 10 0 ACAEMP 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575562353 352685950 /nfs/dbraw/zinc/68/59/50/352685950.db2.gz ZDUZRYPCLMBKBE-MRVPVSSYSA-N 2 1 140.230 0.429 10 0 ACAEMP C[N@H+]1CC[C@]([NH3+])(C2CC2)C1 575562353 352685951 /nfs/dbraw/zinc/68/59/51/352685951.db2.gz ZDUZRYPCLMBKBE-MRVPVSSYSA-N 2 1 140.230 0.429 10 0 ACAEMP C[N@@H+]1CC[C@@]([NH3+])(C2CC2)C1 575562354 352686146 /nfs/dbraw/zinc/68/61/46/352686146.db2.gz ZDUZRYPCLMBKBE-QMMMGPOBSA-N 2 1 140.230 0.429 10 0 ACAEMP C[N@H+]1CC[C@@]([NH3+])(C2CC2)C1 575562354 352686149 /nfs/dbraw/zinc/68/61/49/352686149.db2.gz ZDUZRYPCLMBKBE-QMMMGPOBSA-N 2 1 140.230 0.429 10 0 ACAEMP C[C@]([NH3+])(C[NH3+])[C@H]1CCCCO1 575563030 352688483 /nfs/dbraw/zinc/68/84/83/352688483.db2.gz JKKKLVGIVNTVRS-SFYZADRCSA-N 2 1 158.245 0.232 10 0 ACAEMP C[C@@]([NH3+])(C[NH3+])[C@H]1CCCCO1 575563026 352688579 /nfs/dbraw/zinc/68/85/79/352688579.db2.gz JKKKLVGIVNTVRS-HTQZYQBOSA-N 2 1 158.245 0.232 10 0 ACAEMP C[C@@]([NH3+])(C[NH3+])[C@@H]1CCCCO1 575563027 352688598 /nfs/dbraw/zinc/68/85/98/352688598.db2.gz JKKKLVGIVNTVRS-JGVFFNPUSA-N 2 1 158.245 0.232 10 0 ACAEMP C[C@]([NH3+])(C[NH3+])[C@@H]1CCCCO1 575563034 352688658 /nfs/dbraw/zinc/68/86/58/352688658.db2.gz JKKKLVGIVNTVRS-YUMQZZPRSA-N 2 1 158.245 0.232 10 0 ACAEMP Cc1c[nH+]cn1[C@@]1(C)CC[NH2+]C1 575563733 352692108 /nfs/dbraw/zinc/69/21/08/352692108.db2.gz SROKMVMBZROCFH-VIFPVBQESA-N 2 1 165.240 0.900 10 0 ACAEMP Cc1c[nH+]cn1[C@]1(C)CC[NH2+]C1 575563732 352692412 /nfs/dbraw/zinc/69/24/12/352692412.db2.gz SROKMVMBZROCFH-SECBINFHSA-N 2 1 165.240 0.900 10 0 ACAEMP Cn1c[nH+]cc1C[C@@]1([NH3+])CCSC1 575564864 352697916 /nfs/dbraw/zinc/69/79/16/352697916.db2.gz JAMAEGVDIZTGDG-VIFPVBQESA-N 2 1 197.307 0.797 10 0 ACAEMP Cn1c[nH+]cc1C[C@]1([NH3+])CCSC1 575564862 352698127 /nfs/dbraw/zinc/69/81/27/352698127.db2.gz JAMAEGVDIZTGDG-SECBINFHSA-N 2 1 197.307 0.797 10 0 ACAEMP C[C@H]1CN([C@@H](C)C[NH3+])CC[N@@H+](C)C1 575565339 352700645 /nfs/dbraw/zinc/70/06/45/352700645.db2.gz BEOMHPJMQNGZIC-ZJUUUORDSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@@H](C[NH3+])N1CC[N@@H+](C)C[C@H](C)C1 575565337 352700700 /nfs/dbraw/zinc/70/07/00/352700700.db2.gz BEOMHPJMQNGZIC-UWVGGRQHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@H]1CN([C@H](C)C[NH3+])CC[N@@H+](C)C1 575565336 352700757 /nfs/dbraw/zinc/70/07/57/352700757.db2.gz BEOMHPJMQNGZIC-NXEZZACHSA-N 2 1 185.315 0.217 10 0 ACAEMP C[C@@H]1CN([C@H](C)C[NH3+])CC[N@@H+](C)C1 575565338 352700869 /nfs/dbraw/zinc/70/08/69/352700869.db2.gz BEOMHPJMQNGZIC-VHSXEESVSA-N 2 1 185.315 0.217 10 0 ACAEMP CC[C@]1([NH3+])C[C@@H](C)[N@@H+](C)C1 575565436 352701378 /nfs/dbraw/zinc/70/13/78/352701378.db2.gz OTFUMEYMEQDLNE-SFYZADRCSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[C@]1([NH3+])C[C@H](C)[N@@H+](C)C1 575565439 352701524 /nfs/dbraw/zinc/70/15/24/352701524.db2.gz OTFUMEYMEQDLNE-YUMQZZPRSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[C@@]1([NH3+])C[C@@H](C)[N@@H+](C)C1 575565431 352701553 /nfs/dbraw/zinc/70/15/53/352701553.db2.gz OTFUMEYMEQDLNE-HTQZYQBOSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[C@@]1([NH3+])C[C@H](C)[N@@H+](C)C1 575565434 352701610 /nfs/dbraw/zinc/70/16/10/352701610.db2.gz OTFUMEYMEQDLNE-JGVFFNPUSA-N 2 1 142.246 0.818 10 0 ACAEMP CC1(C)C[C@@]1(C)[NH2+]CC[NH3+] 575566084 352704817 /nfs/dbraw/zinc/70/48/17/352704817.db2.gz PFSVQAOGOMKMCC-MRVPVSSYSA-N 2 1 142.246 0.723 10 0 ACAEMP CC1(C)C[C@]1(C)[NH2+]CC[NH3+] 575566085 352704898 /nfs/dbraw/zinc/70/48/98/352704898.db2.gz PFSVQAOGOMKMCC-QMMMGPOBSA-N 2 1 142.246 0.723 10 0 ACAEMP Cn1cc[nH+]c1C[C@H]1CSC[C@H]1[NH3+] 575566477 352707116 /nfs/dbraw/zinc/70/71/16/352707116.db2.gz HSFUTGBURJGTKA-JGVFFNPUSA-N 2 1 197.307 0.653 10 0 ACAEMP Cn1cc[nH+]c1C[C@H]1CSC[C@@H]1[NH3+] 575566482 352707143 /nfs/dbraw/zinc/70/71/43/352707143.db2.gz HSFUTGBURJGTKA-YUMQZZPRSA-N 2 1 197.307 0.653 10 0 ACAEMP Cn1cc[nH+]c1C[C@@H]1CSC[C@H]1[NH3+] 575566471 352707305 /nfs/dbraw/zinc/70/73/05/352707305.db2.gz HSFUTGBURJGTKA-HTQZYQBOSA-N 2 1 197.307 0.653 10 0 ACAEMP Cn1cc[nH+]c1C[C@@H]1CSC[C@@H]1[NH3+] 575566479 352707334 /nfs/dbraw/zinc/70/73/34/352707334.db2.gz HSFUTGBURJGTKA-SFYZADRCSA-N 2 1 197.307 0.653 10 0 ACAEMP C[C@@H]1C[C@](C)([NH3+])C[N@@H+]1C 575566906 352708501 /nfs/dbraw/zinc/70/85/01/352708501.db2.gz VIIOPMJGJRRFBL-RQJHMYQMSA-N 2 1 128.219 0.428 10 0 ACAEMP C[C@@H]1C[C@](C)([NH3+])C[N@H+]1C 575566906 352708503 /nfs/dbraw/zinc/70/85/03/352708503.db2.gz VIIOPMJGJRRFBL-RQJHMYQMSA-N 2 1 128.219 0.428 10 0 ACAEMP C[C@@H]1C[C@@](C)([NH3+])C[N@@H+]1C 575566905 352708673 /nfs/dbraw/zinc/70/86/73/352708673.db2.gz VIIOPMJGJRRFBL-RNFRBKRXSA-N 2 1 128.219 0.428 10 0 ACAEMP C[C@@H]1C[C@@](C)([NH3+])C[N@H+]1C 575566905 352708677 /nfs/dbraw/zinc/70/86/77/352708677.db2.gz VIIOPMJGJRRFBL-RNFRBKRXSA-N 2 1 128.219 0.428 10 0 ACAEMP C[C@H]1C[C@](C)([NH3+])C[N@@H+]1C 575566903 352708695 /nfs/dbraw/zinc/70/86/95/352708695.db2.gz VIIOPMJGJRRFBL-BQBZGAKWSA-N 2 1 128.219 0.428 10 0 ACAEMP C[C@H]1C[C@](C)([NH3+])C[N@H+]1C 575566903 352708699 /nfs/dbraw/zinc/70/86/99/352708699.db2.gz VIIOPMJGJRRFBL-BQBZGAKWSA-N 2 1 128.219 0.428 10 0 ACAEMP C[C@H]1C[C@@](C)([NH3+])C[N@@H+]1C 575566904 352708771 /nfs/dbraw/zinc/70/87/71/352708771.db2.gz VIIOPMJGJRRFBL-NKWVEPMBSA-N 2 1 128.219 0.428 10 0 ACAEMP C[C@H]1C[C@@](C)([NH3+])C[N@H+]1C 575566904 352708774 /nfs/dbraw/zinc/70/87/74/352708774.db2.gz VIIOPMJGJRRFBL-NKWVEPMBSA-N 2 1 128.219 0.428 10 0 ACAEMP CS[C@@H]1CC[C@@H]1[N@@H+]1CC[C@H]([NH3+])C1 575567072 352709873 /nfs/dbraw/zinc/70/98/73/352709873.db2.gz WXDRJBJRHAOSRN-XHNCKOQMSA-N 2 1 186.324 0.913 10 0 ACAEMP CS[C@@H]1CC[C@@H]1[N@H+]1CC[C@H]([NH3+])C1 575567072 352709874 /nfs/dbraw/zinc/70/98/74/352709874.db2.gz WXDRJBJRHAOSRN-XHNCKOQMSA-N 2 1 186.324 0.913 10 0 ACAEMP CS[C@@H]1CC[C@H]1[N@@H+]1CC[C@H]([NH3+])C1 575567065 352709883 /nfs/dbraw/zinc/70/98/83/352709883.db2.gz WXDRJBJRHAOSRN-DJLDLDEBSA-N 2 1 186.324 0.913 10 0 ACAEMP CS[C@@H]1CC[C@H]1[N@H+]1CC[C@H]([NH3+])C1 575567065 352709884 /nfs/dbraw/zinc/70/98/84/352709884.db2.gz WXDRJBJRHAOSRN-DJLDLDEBSA-N 2 1 186.324 0.913 10 0 ACAEMP CS[C@@H]1CC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 575567066 352710021 /nfs/dbraw/zinc/71/00/21/352710021.db2.gz WXDRJBJRHAOSRN-HRDYMLBCSA-N 2 1 186.324 0.913 10 0 ACAEMP CS[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 575567066 352710023 /nfs/dbraw/zinc/71/00/23/352710023.db2.gz WXDRJBJRHAOSRN-HRDYMLBCSA-N 2 1 186.324 0.913 10 0 ACAEMP CS[C@@H]1CC[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 575567069 352710235 /nfs/dbraw/zinc/71/02/35/352710235.db2.gz WXDRJBJRHAOSRN-IWSPIJDZSA-N 2 1 186.324 0.913 10 0 ACAEMP CS[C@@H]1CC[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 575567069 352710238 /nfs/dbraw/zinc/71/02/38/352710238.db2.gz WXDRJBJRHAOSRN-IWSPIJDZSA-N 2 1 186.324 0.913 10 0 ACAEMP [NH3+][C@]1(C2CC2)CC[N@H+](C2CC2)C1 575568017 352714504 /nfs/dbraw/zinc/71/45/04/352714504.db2.gz BNHZUDYHUIJNBB-SNVBAGLBSA-N 2 1 166.268 0.962 10 0 ACAEMP [NH3+][C@@]1(C2CC2)CC[N@H+](C2CC2)C1 575568016 352714558 /nfs/dbraw/zinc/71/45/58/352714558.db2.gz BNHZUDYHUIJNBB-JTQLQIEISA-N 2 1 166.268 0.962 10 0 ACAEMP [NH3+][C@]1(C2CC2)C[NH+]2CCC1CC2 575568022 352714603 /nfs/dbraw/zinc/71/46/03/352714603.db2.gz BOTRIRFKSRAPLD-JTQLQIEISA-N 2 1 166.268 0.820 10 0 ACAEMP [NH3+][C@@]1(C2CC2)C[NH+]2CCC1CC2 575568023 352714727 /nfs/dbraw/zinc/71/47/27/352714727.db2.gz BOTRIRFKSRAPLD-SNVBAGLBSA-N 2 1 166.268 0.820 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]C[C@H]1O 575568182 352715079 /nfs/dbraw/zinc/71/50/79/352715079.db2.gz FCDPKYJSTDFJCZ-OPRDCNLKSA-N 2 1 184.283 0.051 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]C[C@@H]1O 575568170 352715091 /nfs/dbraw/zinc/71/50/91/352715091.db2.gz FCDPKYJSTDFJCZ-BBBLOLIVSA-N 2 1 184.283 0.051 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1O 575568173 352715325 /nfs/dbraw/zinc/71/53/25/352715325.db2.gz FCDPKYJSTDFJCZ-KXUCPTDWSA-N 2 1 184.283 0.051 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@@H]1O 575568189 352715396 /nfs/dbraw/zinc/71/53/96/352715396.db2.gz FCDPKYJSTDFJCZ-UTLUCORTSA-N 2 1 184.283 0.051 10 0 ACAEMP C[N@@H+]1CCC[C@]([NH3+])(C2CC2)C1 575569629 352721039 /nfs/dbraw/zinc/72/10/39/352721039.db2.gz QCPFRFNZGPFYAE-SECBINFHSA-N 2 1 154.257 0.820 10 0 ACAEMP C[N@H+]1CCC[C@]([NH3+])(C2CC2)C1 575569629 352721043 /nfs/dbraw/zinc/72/10/43/352721043.db2.gz QCPFRFNZGPFYAE-SECBINFHSA-N 2 1 154.257 0.820 10 0 ACAEMP C[N@@H+]1CCC[C@@]([NH3+])(C2CC2)C1 575569632 352721943 /nfs/dbraw/zinc/72/19/43/352721943.db2.gz QCPFRFNZGPFYAE-VIFPVBQESA-N 2 1 154.257 0.820 10 0 ACAEMP C[N@H+]1CCC[C@@]([NH3+])(C2CC2)C1 575569632 352721946 /nfs/dbraw/zinc/72/19/46/352721946.db2.gz QCPFRFNZGPFYAE-VIFPVBQESA-N 2 1 154.257 0.820 10 0 ACAEMP CC[N@H+]1CC[C@@]([NH3+])(C2CC2)C1 575570693 352726763 /nfs/dbraw/zinc/72/67/63/352726763.db2.gz SZEJTFSQIVOKND-VIFPVBQESA-N 2 1 154.257 0.820 10 0 ACAEMP CC[N@H+]1CC[C@]([NH3+])(C2CC2)C1 575570691 352726975 /nfs/dbraw/zinc/72/69/75/352726975.db2.gz SZEJTFSQIVOKND-SECBINFHSA-N 2 1 154.257 0.820 10 0 ACAEMP C[N@H+]1C[C@H](N2CC([NH3+])C2)CC1(C)C 575570939 352728219 /nfs/dbraw/zinc/72/82/19/352728219.db2.gz NDYJDEFAZKIFQY-SECBINFHSA-N 2 1 183.299 0.112 10 0 ACAEMP C[N@H+]1C[C@@H](N2CC([NH3+])C2)CC1(C)C 575570940 352728277 /nfs/dbraw/zinc/72/82/77/352728277.db2.gz NDYJDEFAZKIFQY-VIFPVBQESA-N 2 1 183.299 0.112 10 0 ACAEMP CC[C@@]1([NH3+])CC[N@@H+](C2CC2)C1 575571253 352729316 /nfs/dbraw/zinc/72/93/16/352729316.db2.gz MMJMHTKBCCTWBE-SECBINFHSA-N 2 1 154.257 0.962 10 0 ACAEMP CC[C@@]1([NH3+])CC[N@H+](C2CC2)C1 575571253 352729320 /nfs/dbraw/zinc/72/93/20/352729320.db2.gz MMJMHTKBCCTWBE-SECBINFHSA-N 2 1 154.257 0.962 10 0 ACAEMP CC[C@]1([NH3+])CC[N@@H+](C2CC2)C1 575571254 352729774 /nfs/dbraw/zinc/72/97/74/352729774.db2.gz MMJMHTKBCCTWBE-VIFPVBQESA-N 2 1 154.257 0.962 10 0 ACAEMP CC[C@]1([NH3+])CC[N@H+](C2CC2)C1 575571254 352729777 /nfs/dbraw/zinc/72/97/77/352729777.db2.gz MMJMHTKBCCTWBE-VIFPVBQESA-N 2 1 154.257 0.962 10 0 ACAEMP CC[N@H+]1CC[C@]([NH3+])(CC)C1 575572159 352735176 /nfs/dbraw/zinc/73/51/76/352735176.db2.gz YZYWWYDRVWZFOX-MRVPVSSYSA-N 2 1 142.246 0.820 10 0 ACAEMP 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CC1C[NH+](C[C@@H]2OCC[C@@H]2[NH3+])C1 575579270 352771539 /nfs/dbraw/zinc/77/15/39/352771539.db2.gz JVHLREJDTRQWON-IUCAKERBSA-N 2 1 170.256 0.054 10 0 ACAEMP C[C@@H]1CC[N@H+]1C[C@@H]1OCC[C@@H]1[NH3+] 575579236 352771603 /nfs/dbraw/zinc/77/16/03/352771603.db2.gz IFHRZPAZKRBTAT-VGMNWLOBSA-N 2 1 170.256 0.197 10 0 ACAEMP CC1C[NH+](C[C@H]2OCC[C@H]2[NH3+])C1 575579271 352771637 /nfs/dbraw/zinc/77/16/37/352771637.db2.gz JVHLREJDTRQWON-RKDXNWHRSA-N 2 1 170.256 0.054 10 0 ACAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1OCC[C@H]1[NH3+] 575579332 352771643 /nfs/dbraw/zinc/77/16/43/352771643.db2.gz LGNSKZYZWAPHJT-RGOKHQFPSA-N 2 1 184.283 0.443 10 0 ACAEMP C[C@@H]1CC[N@H+]1C[C@H]1OCC[C@@H]1[NH3+] 575579234 352771673 /nfs/dbraw/zinc/77/16/73/352771673.db2.gz IFHRZPAZKRBTAT-HRDYMLBCSA-N 2 1 170.256 0.197 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@@H]2OCC[C@H]2[NH3+])[C@@H]1C 575579331 352771716 /nfs/dbraw/zinc/77/17/16/352771716.db2.gz LGNSKZYZWAPHJT-KYXWUPHJSA-N 2 1 184.283 0.443 10 0 ACAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1OCC[C@@H]1[NH3+] 575579330 352771748 /nfs/dbraw/zinc/77/17/48/352771748.db2.gz LGNSKZYZWAPHJT-KATARQTJSA-N 2 1 184.283 0.443 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@@]1(C)[NH3+] 575579776 352773557 /nfs/dbraw/zinc/77/35/57/352773557.db2.gz ZOHITMXMOQGINR-HTQZYQBOSA-N 2 1 142.246 0.675 10 0 ACAEMP C[C@H]1C[N@@H+](C)CC[C@@]1(C)[NH3+] 575579777 352773580 /nfs/dbraw/zinc/77/35/80/352773580.db2.gz ZOHITMXMOQGINR-JGVFFNPUSA-N 2 1 142.246 0.675 10 0 ACAEMP C[C@@H]1C[N@@H+](C)CC[C@]1(C)[NH3+] 575579778 352773660 /nfs/dbraw/zinc/77/36/60/352773660.db2.gz ZOHITMXMOQGINR-SFYZADRCSA-N 2 1 142.246 0.675 10 0 ACAEMP C[C@H]1C[N@@H+](C)CC[C@]1(C)[NH3+] 575579779 352773782 /nfs/dbraw/zinc/77/37/82/352773782.db2.gz ZOHITMXMOQGINR-YUMQZZPRSA-N 2 1 142.246 0.675 10 0 ACAEMP [NH3+][C@@H]1CCO[C@@H]1C[N@H+]1CC[C@@H]2C[C@@H]21 575580064 352774838 /nfs/dbraw/zinc/77/48/38/352774838.db2.gz SSXOYVWDIWSDNZ-DOLQZWNJSA-N 2 1 182.267 0.197 10 0 ACAEMP [NH3+][C@@H]1CCO[C@@H]1C[N@H+]1CC[C@H]2C[C@H]21 575580066 352774899 /nfs/dbraw/zinc/77/48/99/352774899.db2.gz SSXOYVWDIWSDNZ-SGIHWFKDSA-N 2 1 182.267 0.197 10 0 ACAEMP C[C@H]1CC[N@@H+](C[C@@H]2OCC[C@@H]2[NH3+])C1 575580084 352775303 /nfs/dbraw/zinc/77/53/03/352775303.db2.gz UIKIHIZHDKLMBC-GUBZILKMSA-N 2 1 184.283 0.444 10 0 ACAEMP CC1(C)C[NH+](C[C@@H]2OCC[C@@H]2[NH3+])C1 575580196 352775597 /nfs/dbraw/zinc/77/55/97/352775597.db2.gz WRFRZVZICYFPPN-IUCAKERBSA-N 2 1 184.283 0.444 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@@H]1OCC[C@@H]1[NH3+] 575580270 352776350 /nfs/dbraw/zinc/77/63/50/352776350.db2.gz ZFNCSUVFRNQOOQ-IUCAKERBSA-N 2 1 184.283 0.587 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@H]1OCC[C@@H]1[NH3+] 575580269 352776626 /nfs/dbraw/zinc/77/66/26/352776626.db2.gz ZFNCSUVFRNQOOQ-DTWKUNHWSA-N 2 1 184.283 0.587 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@H]1OCC[C@H]1[NH3+] 575580271 352776666 /nfs/dbraw/zinc/77/66/66/352776666.db2.gz ZFNCSUVFRNQOOQ-RKDXNWHRSA-N 2 1 184.283 0.587 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@@H]1OCC[C@H]1[NH3+] 575580268 352776718 /nfs/dbraw/zinc/77/67/18/352776718.db2.gz ZFNCSUVFRNQOOQ-BDAKNGLRSA-N 2 1 184.283 0.587 10 0 ACAEMP CC[N@@H+](C)C[C@@H]1OCC[C@H]1[NH3+] 575580526 352777745 /nfs/dbraw/zinc/77/77/45/352777745.db2.gz CXENVRQUDDMBED-SFYZADRCSA-N 2 1 158.245 0.054 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@H]1OCC[C@H]1[NH3+] 575580573 352777784 /nfs/dbraw/zinc/77/77/84/352777784.db2.gz DQEWEKBMZHCQOL-OPRDCNLKSA-N 2 1 184.283 0.587 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@H]1OCC[C@@H]1[NH3+] 575580572 352777798 /nfs/dbraw/zinc/77/77/98/352777798.db2.gz DQEWEKBMZHCQOL-KXUCPTDWSA-N 2 1 184.283 0.587 10 0 ACAEMP CC[N@@H+](C)C[C@H]1OCC[C@H]1[NH3+] 575580524 352778020 /nfs/dbraw/zinc/77/80/20/352778020.db2.gz CXENVRQUDDMBED-HTQZYQBOSA-N 2 1 158.245 0.054 10 0 ACAEMP CC[N@@H+](C)C[C@H]1OCC[C@@H]1[NH3+] 575580525 352778268 /nfs/dbraw/zinc/77/82/68/352778268.db2.gz CXENVRQUDDMBED-JGVFFNPUSA-N 2 1 158.245 0.054 10 0 ACAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1OCC[C@H]1[NH3+] 575580571 352778298 /nfs/dbraw/zinc/77/82/98/352778298.db2.gz DQEWEKBMZHCQOL-BBBLOLIVSA-N 2 1 184.283 0.587 10 0 ACAEMP [NH3+][C@@H]1CCO[C@H]1C[N@@H+]1CC=CCC1 575580706 352778658 /nfs/dbraw/zinc/77/86/58/352778658.db2.gz FPSNFAMSEAXHSS-ZJUUUORDSA-N 2 1 182.267 0.365 10 0 ACAEMP [NH3+][C@H]1CCO[C@@H]1C[N@@H+]1CC=CCC1 575580705 352778746 /nfs/dbraw/zinc/77/87/46/352778746.db2.gz FPSNFAMSEAXHSS-VHSXEESVSA-N 2 1 182.267 0.365 10 0 ACAEMP [NH3+][C@H]1CCO[C@H]1C[N@@H+]1CC=CCC1 575580704 352779092 /nfs/dbraw/zinc/77/90/92/352779092.db2.gz FPSNFAMSEAXHSS-UWVGGRQHSA-N 2 1 182.267 0.365 10 0 ACAEMP C[NH+](C)[C@H](C[NH3+])[C@H]1CC1(C)C 575580939 352780208 /nfs/dbraw/zinc/78/02/08/352780208.db2.gz IDAZNBQBSWYZCK-HTQZYQBOSA-N 2 1 156.273 0.921 10 0 ACAEMP C[NH+](C)[C@@H](C[NH3+])[C@@H]1CC1(C)C 575580942 352780308 /nfs/dbraw/zinc/78/03/08/352780308.db2.gz IDAZNBQBSWYZCK-YUMQZZPRSA-N 2 1 156.273 0.921 10 0 ACAEMP C[NH+](C)[C@@H](C[NH3+])[C@H]1CC1(C)C 575580941 352780400 /nfs/dbraw/zinc/78/04/00/352780400.db2.gz IDAZNBQBSWYZCK-SFYZADRCSA-N 2 1 156.273 0.921 10 0 ACAEMP C[NH+](C)[C@H](C[NH3+])[C@@H]1CC1(C)C 575580940 352780616 /nfs/dbraw/zinc/78/06/16/352780616.db2.gz IDAZNBQBSWYZCK-JGVFFNPUSA-N 2 1 156.273 0.921 10 0 ACAEMP CC1(C)C[C@@H]1[C@@H]([NH3+])C[NH3+] 575581366 352781751 /nfs/dbraw/zinc/78/17/51/352781751.db2.gz OSGNTBFNYAINCD-RITPCOANSA-N 2 1 128.219 0.319 10 0 ACAEMP CC1(C)C[C@@H]1[C@H]([NH3+])C[NH3+] 575581365 352781805 /nfs/dbraw/zinc/78/18/05/352781805.db2.gz OSGNTBFNYAINCD-PHDIDXHHSA-N 2 1 128.219 0.319 10 0 ACAEMP CC1(C)C[C@H]1[C@H]([NH3+])C[NH3+] 575581364 352781918 /nfs/dbraw/zinc/78/19/18/352781918.db2.gz OSGNTBFNYAINCD-NTSWFWBYSA-N 2 1 128.219 0.319 10 0 ACAEMP CC1(C)C[C@H]1[C@@H]([NH3+])C[NH3+] 575581367 352781929 /nfs/dbraw/zinc/78/19/29/352781929.db2.gz OSGNTBFNYAINCD-WDSKDSINSA-N 2 1 128.219 0.319 10 0 ACAEMP C[NH2+][C@H](C[NH3+])[C@H]1CC1(C)C 575581560 352783360 /nfs/dbraw/zinc/78/33/60/352783360.db2.gz SSIFLFAHOMDMIG-RNFRBKRXSA-N 2 1 142.246 0.579 10 0 ACAEMP C[NH2+][C@@H](C[NH3+])[C@H]1CC1(C)C 575581561 352783465 /nfs/dbraw/zinc/78/34/65/352783465.db2.gz SSIFLFAHOMDMIG-RQJHMYQMSA-N 2 1 142.246 0.579 10 0 ACAEMP C[NH2+][C@H](C[NH3+])[C@@H]1CC1(C)C 575581559 352783570 /nfs/dbraw/zinc/78/35/70/352783570.db2.gz SSIFLFAHOMDMIG-NKWVEPMBSA-N 2 1 142.246 0.579 10 0 ACAEMP C[NH2+][C@@H](C[NH3+])[C@@H]1CC1(C)C 575581558 352783697 /nfs/dbraw/zinc/78/36/97/352783697.db2.gz SSIFLFAHOMDMIG-BQBZGAKWSA-N 2 1 142.246 0.579 10 0 ACAEMP CC1(C)C[NH+](C[C@H]2OCC[C@H]2[NH3+])C1 575581726 352784227 /nfs/dbraw/zinc/78/42/27/352784227.db2.gz WRFRZVZICYFPPN-RKDXNWHRSA-N 2 1 184.283 0.444 10 0 ACAEMP CC1(C)C[NH+](C[C@@H]2OCC[C@H]2[NH3+])C1 575581724 352784358 /nfs/dbraw/zinc/78/43/58/352784358.db2.gz WRFRZVZICYFPPN-BDAKNGLRSA-N 2 1 184.283 0.444 10 0 ACAEMP CC1(C)C[NH+](C[C@H]2OCC[C@@H]2[NH3+])C1 575581725 352784387 /nfs/dbraw/zinc/78/43/87/352784387.db2.gz WRFRZVZICYFPPN-DTWKUNHWSA-N 2 1 184.283 0.444 10 0 ACAEMP CC1(C)CC[N@@H+]1CC1([NH3+])CC1 575582125 352785763 /nfs/dbraw/zinc/78/57/63/352785763.db2.gz CKCYCHHGUCMQPK-UHFFFAOYSA-N 2 1 154.257 0.962 10 0 ACAEMP CC1(C)CC[N@H+]1CC1([NH3+])CC1 575582125 352785766 /nfs/dbraw/zinc/78/57/66/352785766.db2.gz CKCYCHHGUCMQPK-UHFFFAOYSA-N 2 1 154.257 0.962 10 0 ACAEMP C[C@@H]1C[C@]1(C)[NH2+]C[C@@H]1CC[NH2+]1 575582276 352787456 /nfs/dbraw/zinc/78/74/56/352787456.db2.gz DHTNUQRMNRZOCE-VGMNWLOBSA-N 2 1 154.257 0.736 10 0 ACAEMP C[C@@H]1C[C@]1(C)[NH2+]C[C@H]1CC[NH2+]1 575582270 352787518 /nfs/dbraw/zinc/78/75/18/352787518.db2.gz DHTNUQRMNRZOCE-HLTSFMKQSA-N 2 1 154.257 0.736 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[NH2+]C[C@H]1CC[NH2+]1 575582275 352787597 /nfs/dbraw/zinc/78/75/97/352787597.db2.gz DHTNUQRMNRZOCE-IWSPIJDZSA-N 2 1 154.257 0.736 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[NH2+]C[C@@H]1CC[NH2+]1 575582273 352787614 /nfs/dbraw/zinc/78/76/14/352787614.db2.gz DHTNUQRMNRZOCE-HRDYMLBCSA-N 2 1 154.257 0.736 10 0 ACAEMP C[C@H]1[C@H](C)C[N@@H+]1CC1([NH3+])CC1 575582434 352788413 /nfs/dbraw/zinc/78/84/13/352788413.db2.gz FKGDPRNQXVLCGE-SFYZADRCSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H]1[C@H](C)C[N@H+]1CC1([NH3+])CC1 575582434 352788415 /nfs/dbraw/zinc/78/84/15/352788415.db2.gz FKGDPRNQXVLCGE-SFYZADRCSA-N 2 1 154.257 0.818 10 0 ACAEMP CC(C)(C[NH3+])[N@H+]1CC[C@H]2C[C@H]21 575582423 352788470 /nfs/dbraw/zinc/78/84/70/352788470.db2.gz FJXFYPSKIZGKFI-JGVFFNPUSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H]1C[N@H+](CC2([NH3+])CC2)[C@H]1C 575582435 352788544 /nfs/dbraw/zinc/78/85/44/352788544.db2.gz FKGDPRNQXVLCGE-YUMQZZPRSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H]1C[N@@H+](CC2([NH3+])CC2)[C@H]1C 575582435 352788545 /nfs/dbraw/zinc/78/85/45/352788545.db2.gz FKGDPRNQXVLCGE-YUMQZZPRSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H]1C[N@@H+](CC2([NH3+])CC2)[C@@H]1C 575582433 352788635 /nfs/dbraw/zinc/78/86/35/352788635.db2.gz FKGDPRNQXVLCGE-JGVFFNPUSA-N 2 1 154.257 0.818 10 0 ACAEMP CC(C)(C[NH3+])[N@H+]1CC[C@@H]2C[C@@H]21 575582425 352788614 /nfs/dbraw/zinc/78/86/14/352788614.db2.gz FJXFYPSKIZGKFI-SFYZADRCSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H]1C[N@H+](CC2([NH3+])CC2)[C@@H]1C 575582433 352788633 /nfs/dbraw/zinc/78/86/33/352788633.db2.gz FKGDPRNQXVLCGE-JGVFFNPUSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[N@H+](CC2([NH3+])CC2)[C@@H]1C 575582432 352788643 /nfs/dbraw/zinc/78/86/43/352788643.db2.gz FKGDPRNQXVLCGE-HTQZYQBOSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[N@@H+](CC2([NH3+])CC2)[C@@H]1C 575582432 352788645 /nfs/dbraw/zinc/78/86/45/352788645.db2.gz FKGDPRNQXVLCGE-HTQZYQBOSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@H]1C[C@]1([NH3+])Cc1c[nH+]cn1C 575582646 352788989 /nfs/dbraw/zinc/78/89/89/352788989.db2.gz OQZAFQHXAOCUBV-CBAPKCEASA-N 2 1 165.240 0.700 10 0 ACAEMP C[C@@H]1C[C@]1([NH3+])Cc1c[nH+]cn1C 575582645 352789137 /nfs/dbraw/zinc/78/91/37/352789137.db2.gz OQZAFQHXAOCUBV-APPZFPTMSA-N 2 1 165.240 0.700 10 0 ACAEMP C[C@H]1C[C@@]1([NH3+])Cc1c[nH+]cn1C 575582647 352789342 /nfs/dbraw/zinc/78/93/42/352789342.db2.gz OQZAFQHXAOCUBV-IONNQARKSA-N 2 1 165.240 0.700 10 0 ACAEMP C[C@@H]1C[C@@]1([NH3+])Cc1c[nH+]cn1C 575582649 352789413 /nfs/dbraw/zinc/78/94/13/352789413.db2.gz OQZAFQHXAOCUBV-VXNVDRBHSA-N 2 1 165.240 0.700 10 0 ACAEMP C[C@H]1CC[N@H+]1C[C@@H]1OCC[C@@H]1[NH3+] 575582787 352789849 /nfs/dbraw/zinc/78/98/49/352789849.db2.gz IFHRZPAZKRBTAT-CIUDSAMLSA-N 2 1 170.256 0.197 10 0 ACAEMP CS[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575582824 352790069 /nfs/dbraw/zinc/79/00/69/352790069.db2.gz IKGYZZSSBFSCTL-QCLAVDOMSA-N 2 1 198.335 0.784 10 0 ACAEMP CS[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575582824 352790070 /nfs/dbraw/zinc/79/00/70/352790070.db2.gz IKGYZZSSBFSCTL-QCLAVDOMSA-N 2 1 198.335 0.784 10 0 ACAEMP CS[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575583035 352790563 /nfs/dbraw/zinc/79/05/63/352790563.db2.gz IKGYZZSSBFSCTL-XFWSIPNHSA-N 2 1 198.335 0.784 10 0 ACAEMP CS[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575583035 352790566 /nfs/dbraw/zinc/79/05/66/352790566.db2.gz IKGYZZSSBFSCTL-XFWSIPNHSA-N 2 1 198.335 0.784 10 0 ACAEMP C[C@H]1C[N@@H+](CC2(C)C[NH2+]C2)[C@H]1C 575583045 352791618 /nfs/dbraw/zinc/79/16/18/352791618.db2.gz IRQYVWPWTPEGAP-IUCAKERBSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@H]1C[N@@H+](CC2(C)C[NH2+]C2)[C@@H]1C 575583044 352791679 /nfs/dbraw/zinc/79/16/79/352791679.db2.gz IRQYVWPWTPEGAP-DTWKUNHWSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@H]1[C@H](C)C[N@H+]1CC1(C)C[NH2+]C1 575583043 352791705 /nfs/dbraw/zinc/79/17/05/352791705.db2.gz IRQYVWPWTPEGAP-BDAKNGLRSA-N 2 1 168.284 0.936 10 0 ACAEMP CC1(C)CC[N@@H+]1C[C@]1([NH3+])CCOC1 575583214 352792051 /nfs/dbraw/zinc/79/20/51/352792051.db2.gz JUCWCXJCTYOKTI-SNVBAGLBSA-N 2 1 184.283 0.589 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@]1([NH3+])CCOC1 575583214 352792053 /nfs/dbraw/zinc/79/20/53/352792053.db2.gz JUCWCXJCTYOKTI-SNVBAGLBSA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@]12C[NH2+]C[C@H]1C2 575583207 352792246 /nfs/dbraw/zinc/79/22/46/352792246.db2.gz JTFQXGZTYZLQFY-YTWAJWBKSA-N 2 1 180.295 0.936 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@]23C[NH2+]C[C@H]2C3)[C@@H]1C 575583205 352792331 /nfs/dbraw/zinc/79/23/31/352792331.db2.gz JTFQXGZTYZLQFY-DBIOUOCHSA-N 2 1 180.295 0.936 10 0 ACAEMP CC1(C)CC[N@@H+]1C[C@@]1([NH3+])CCOC1 575583213 352792445 /nfs/dbraw/zinc/79/24/45/352792445.db2.gz JUCWCXJCTYOKTI-JTQLQIEISA-N 2 1 184.283 0.589 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@@]1([NH3+])CCOC1 575583213 352792449 /nfs/dbraw/zinc/79/24/49/352792449.db2.gz JUCWCXJCTYOKTI-JTQLQIEISA-N 2 1 184.283 0.589 10 0 ACAEMP C[C@H]1C[N@@H+](C[C@@H]2OCC[C@@H]2[NH3+])[C@@H]1C 575583464 352792943 /nfs/dbraw/zinc/79/29/43/352792943.db2.gz LGNSKZYZWAPHJT-JXUBOQSCSA-N 2 1 184.283 0.443 10 0 ACAEMP C1C[NH2+]C[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 575583461 352792959 /nfs/dbraw/zinc/79/29/59/352792959.db2.gz LFQKRHAOGATWRB-IVZWLZJFSA-N 2 1 166.268 0.833 10 0 ACAEMP C[C@H]1C[N@@H+](C[C@@H]2OCC[C@@H]2[NH3+])[C@H]1C 575583465 352792978 /nfs/dbraw/zinc/79/29/78/352792978.db2.gz LGNSKZYZWAPHJT-XKNYDFJKSA-N 2 1 184.283 0.443 10 0 ACAEMP C1C[NH2+]C[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 575583460 352793051 /nfs/dbraw/zinc/79/30/51/352793051.db2.gz LFQKRHAOGATWRB-BBBLOLIVSA-N 2 1 166.268 0.833 10 0 ACAEMP [NH3+]CCC[N@H+]1CCC12CCC2 575583532 352793902 /nfs/dbraw/zinc/79/39/02/352793902.db2.gz NLAVFLVDTLNWJO-UHFFFAOYSA-N 2 1 154.257 0.964 10 0 ACAEMP C[C@H](CF)[N@H+]1CC[C@H](C[NH3+])C1 575583789 352794192 /nfs/dbraw/zinc/79/41/92/352794192.db2.gz PMOJZPVBNITGNR-HTQZYQBOSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@@H](CF)[N@H+]1CC[C@@H](C[NH3+])C1 575583793 352794398 /nfs/dbraw/zinc/79/43/98/352794398.db2.gz PMOJZPVBNITGNR-YUMQZZPRSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@H](CF)[N@H+]1CC[C@@H](C[NH3+])C1 575583792 352794413 /nfs/dbraw/zinc/79/44/13/352794413.db2.gz PMOJZPVBNITGNR-SFYZADRCSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@@H](CF)[N@H+]1CC[C@H](C[NH3+])C1 575583790 352794476 /nfs/dbraw/zinc/79/44/76/352794476.db2.gz PMOJZPVBNITGNR-JGVFFNPUSA-N 2 1 160.236 0.625 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1C 575584329 352796531 /nfs/dbraw/zinc/79/65/31/352796531.db2.gz PRASRHXJCLQXKZ-OPRDCNLKSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H]1C 575584317 352796566 /nfs/dbraw/zinc/79/65/66/352796566.db2.gz PRASRHXJCLQXKZ-AEJSXWLSSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H]1C 575584323 352796739 /nfs/dbraw/zinc/79/67/39/352796739.db2.gz PRASRHXJCLQXKZ-LPEHRKFASA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H]1C 575584318 352796810 /nfs/dbraw/zinc/79/68/10/352796810.db2.gz PRASRHXJCLQXKZ-BBBLOLIVSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CC[NH2+]C1 575584321 352796882 /nfs/dbraw/zinc/79/68/82/352796882.db2.gz PRASRHXJCLQXKZ-KXUCPTDWSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@H]1CC[NH2+]C1 575584344 352796903 /nfs/dbraw/zinc/79/69/03/352796903.db2.gz PRASRHXJCLQXKZ-UTLUCORTSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1C 575584320 352796927 /nfs/dbraw/zinc/79/69/27/352796927.db2.gz PRASRHXJCLQXKZ-IVZWLZJFSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)[C@H]1C 575584319 352796992 /nfs/dbraw/zinc/79/69/92/352796992.db2.gz PRASRHXJCLQXKZ-GUBZILKMSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@@H](CF)[NH+]1CCC([NH3+])CC1 575584538 352797602 /nfs/dbraw/zinc/79/76/02/352797602.db2.gz WGBKHLUBOYAUAZ-ZETCQYMHSA-N 2 1 160.236 0.768 10 0 ACAEMP C[C@H](CF)[NH+]1CCC([NH3+])CC1 575584537 352797652 /nfs/dbraw/zinc/79/76/52/352797652.db2.gz WGBKHLUBOYAUAZ-SSDOTTSWSA-N 2 1 160.236 0.768 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[NH2+]CC1([NH3+])CC1 575584873 352798841 /nfs/dbraw/zinc/79/88/41/352798841.db2.gz YGLYKJOGSMAQNB-HTQZYQBOSA-N 2 1 154.257 0.866 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@@H]1COC[C@@H]1[NH3+] 575584821 352798881 /nfs/dbraw/zinc/79/88/81/352798881.db2.gz RJDLWYSUJVKNGW-BDAKNGLRSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@H]1C[C@@]1(C)[NH2+]CC1([NH3+])CC1 575584874 352798908 /nfs/dbraw/zinc/79/89/08/352798908.db2.gz YGLYKJOGSMAQNB-JGVFFNPUSA-N 2 1 154.257 0.866 10 0 ACAEMP [NH3+]CCC[N@H+]1C[C@@H]2CCC[C@H]21 575584861 352798928 /nfs/dbraw/zinc/79/89/28/352798928.db2.gz XVMQDZQCKKUFSH-DTWKUNHWSA-N 2 1 154.257 0.820 10 0 ACAEMP C[C@H]1C[C@]1(C)[NH2+]CC1([NH3+])CC1 575584876 352798988 /nfs/dbraw/zinc/79/89/88/352798988.db2.gz YGLYKJOGSMAQNB-YUMQZZPRSA-N 2 1 154.257 0.866 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@H]1COC[C@@H]1[NH3+] 575584823 352799042 /nfs/dbraw/zinc/79/90/42/352799042.db2.gz RJDLWYSUJVKNGW-IUCAKERBSA-N 2 1 184.283 0.444 10 0 ACAEMP [NH3+]CCC[N@H+]1C[C@H]2CCC[C@H]21 575584863 352799103 /nfs/dbraw/zinc/79/91/03/352799103.db2.gz XVMQDZQCKKUFSH-RKDXNWHRSA-N 2 1 154.257 0.820 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@H]1COC[C@H]1[NH3+] 575584822 352799138 /nfs/dbraw/zinc/79/91/38/352799138.db2.gz RJDLWYSUJVKNGW-DTWKUNHWSA-N 2 1 184.283 0.444 10 0 ACAEMP [NH3+]CCC[N@H+]1C[C@H]2CCC[C@@H]21 575584860 352799240 /nfs/dbraw/zinc/79/92/40/352799240.db2.gz XVMQDZQCKKUFSH-BDAKNGLRSA-N 2 1 154.257 0.820 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@@H]1COC[C@H]1[NH3+] 575584824 352799270 /nfs/dbraw/zinc/79/92/70/352799270.db2.gz RJDLWYSUJVKNGW-RKDXNWHRSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1C[C@]1(C)[NH2+]CC1([NH3+])CC1 575584875 352799338 /nfs/dbraw/zinc/79/93/38/352799338.db2.gz YGLYKJOGSMAQNB-SFYZADRCSA-N 2 1 154.257 0.866 10 0 ACAEMP [NH3+]CCC[N@H+]1C[C@@H]2CCC[C@@H]21 575584862 352799471 /nfs/dbraw/zinc/79/94/71/352799471.db2.gz XVMQDZQCKKUFSH-IUCAKERBSA-N 2 1 154.257 0.820 10 0 ACAEMP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H]1C 575584940 352799805 /nfs/dbraw/zinc/79/98/05/352799805.db2.gz ZUOZJBCECYVKDN-CSMHCCOUSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H]1C 575584940 352799807 /nfs/dbraw/zinc/79/98/07/352799807.db2.gz ZUOZJBCECYVKDN-CSMHCCOUSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)[C@@H]1C 575584941 352799881 /nfs/dbraw/zinc/79/98/81/352799881.db2.gz ZUOZJBCECYVKDN-FXQIFTODSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H]([NH3+])C[N@H+]1C[C@H](C)[C@@H]1C 575584941 352799883 /nfs/dbraw/zinc/79/98/83/352799883.db2.gz ZUOZJBCECYVKDN-FXQIFTODSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@@H]([NH3+])C[N@H+]1C[C@@H](C)[C@H]1C 575584939 352799957 /nfs/dbraw/zinc/79/99/57/352799957.db2.gz ZUOZJBCECYVKDN-BWZBUEFSSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)[C@H]1C 575584938 352799986 /nfs/dbraw/zinc/79/99/86/352799986.db2.gz ZUOZJBCECYVKDN-BIIVOSGPSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H]([NH3+])C[N@H+]1C[C@H](C)[C@H]1C 575584938 352799988 /nfs/dbraw/zinc/79/99/88/352799988.db2.gz ZUOZJBCECYVKDN-BIIVOSGPSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@H]1C 575584942 352800001 /nfs/dbraw/zinc/80/00/01/352800001.db2.gz ZUOZJBCECYVKDN-GJMOJQLCSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@H]1C 575584942 352800003 /nfs/dbraw/zinc/80/00/03/352800003.db2.gz ZUOZJBCECYVKDN-GJMOJQLCSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H](C[NH3+])[N@@H+]1CC[C@H]2C[C@H]21 575584935 352800135 /nfs/dbraw/zinc/80/01/35/352800135.db2.gz ZMXWTYQIUPKSHM-GJMOJQLCSA-N 2 1 140.230 0.428 10 0 ACAEMP C[C@H](C[NH3+])[N@H+]1CC[C@H]2C[C@H]21 575584935 352800136 /nfs/dbraw/zinc/80/01/36/352800136.db2.gz ZMXWTYQIUPKSHM-GJMOJQLCSA-N 2 1 140.230 0.428 10 0 ACAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@H](C)[NH3+] 575584943 352800144 /nfs/dbraw/zinc/80/01/44/352800144.db2.gz ZUOZJBCECYVKDN-PRJMDXOYSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H]1[C@H](C)C[N@@H+]1C[C@@H](C)[NH3+] 575584943 352800146 /nfs/dbraw/zinc/80/01/46/352800146.db2.gz ZUOZJBCECYVKDN-PRJMDXOYSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H](C[NH3+])[N@H+]1CC[C@@H]2C[C@@H]21 575584936 352800187 /nfs/dbraw/zinc/80/01/87/352800187.db2.gz ZMXWTYQIUPKSHM-PRJMDXOYSA-N 2 1 140.230 0.428 10 0 ACAEMP C[C@H]1C[N@@H+](C[C@@H](C)[NH3+])[C@@H]1C 575584945 352800292 /nfs/dbraw/zinc/80/02/92/352800292.db2.gz ZUOZJBCECYVKDN-XLPZGREQSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H]1C[N@H+](C[C@@H](C)[NH3+])[C@@H]1C 575584945 352800294 /nfs/dbraw/zinc/80/02/94/352800294.db2.gz ZUOZJBCECYVKDN-XLPZGREQSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H]1C[N@@H+](C[C@@H](C)[NH3+])[C@H]1C 575584944 352800305 /nfs/dbraw/zinc/80/03/05/352800305.db2.gz ZUOZJBCECYVKDN-RNJXMRFFSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@H]1C[N@H+](C[C@@H](C)[NH3+])[C@H]1C 575584944 352800308 /nfs/dbraw/zinc/80/03/08/352800308.db2.gz ZUOZJBCECYVKDN-RNJXMRFFSA-N 2 1 142.246 0.674 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[N@@H+]1CC[C@H]1C[NH3+] 575585193 352800814 /nfs/dbraw/zinc/80/08/14/352800814.db2.gz CNSJZCQDKOIFGS-HRDYMLBCSA-N 2 1 154.257 0.818 10 0 ACAEMP CC(C)([NH3+])C[NH2+]C1CSC1 575585253 352800689 /nfs/dbraw/zinc/80/06/89/352800689.db2.gz DIKKNRJOOFCYGV-UHFFFAOYSA-N 2 1 160.286 0.429 10 0 ACAEMP C[C@@H]1C[C@]1(C)[N@@H+]1CC[C@H]1CN 575585195 352800723 /nfs/dbraw/zinc/80/07/23/352800723.db2.gz CNSJZCQDKOIFGS-VGMNWLOBSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@]1(C)[N@@H+]1CC[C@H]1C[NH3+] 575585195 352800727 /nfs/dbraw/zinc/80/07/27/352800727.db2.gz CNSJZCQDKOIFGS-VGMNWLOBSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@]1(C)[N@H+]1CC[C@H]1C[NH3+] 575585195 352800729 /nfs/dbraw/zinc/80/07/29/352800729.db2.gz CNSJZCQDKOIFGS-VGMNWLOBSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[N@@H+]1CC[C@H]1CN 575585193 352800809 /nfs/dbraw/zinc/80/08/09/352800809.db2.gz CNSJZCQDKOIFGS-HRDYMLBCSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[N@@H+]1CC[C@@H]1CN 575585194 352800898 /nfs/dbraw/zinc/80/08/98/352800898.db2.gz CNSJZCQDKOIFGS-IWSPIJDZSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[N@@H+]1CC[C@@H]1C[NH3+] 575585194 352800904 /nfs/dbraw/zinc/80/09/04/352800904.db2.gz CNSJZCQDKOIFGS-IWSPIJDZSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[N@H+]1CC[C@@H]1C[NH3+] 575585194 352800908 /nfs/dbraw/zinc/80/09/08/352800908.db2.gz CNSJZCQDKOIFGS-IWSPIJDZSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@]1(C)[N@@H+]1CC[C@@H]1CN 575585192 352801229 /nfs/dbraw/zinc/80/12/29/352801229.db2.gz CNSJZCQDKOIFGS-HLTSFMKQSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@]1(C)[N@@H+]1CC[C@@H]1C[NH3+] 575585192 352801236 /nfs/dbraw/zinc/80/12/36/352801236.db2.gz CNSJZCQDKOIFGS-HLTSFMKQSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@]1(C)[N@H+]1CC[C@@H]1C[NH3+] 575585192 352801239 /nfs/dbraw/zinc/80/12/39/352801239.db2.gz CNSJZCQDKOIFGS-HLTSFMKQSA-N 2 1 154.257 0.818 10 0 ACAEMP C1[NH2+]CC1C[N@H+]1CC[C@H]2C[C@H]21 575585400 352801711 /nfs/dbraw/zinc/80/17/11/352801711.db2.gz UQSSGXMVEBQJCK-DTWKUNHWSA-N 2 1 152.241 0.300 10 0 ACAEMP C1[NH2+]CC1C[N@H+]1CC[C@@H]2C[C@@H]21 575585398 352801772 /nfs/dbraw/zinc/80/17/72/352801772.db2.gz UQSSGXMVEBQJCK-BDAKNGLRSA-N 2 1 152.241 0.300 10 0 ACAEMP C1CC([N@H+]2CC[C@H]3C[C@H]32)CC[NH2+]1 575585551 352802469 /nfs/dbraw/zinc/80/24/69/352802469.db2.gz WDNSSAMCFUSVKB-WCBMZHEXSA-N 2 1 166.268 0.833 10 0 ACAEMP C[C@@H](C[NH3+])[NH2+]C1CSC1 575585518 352802535 /nfs/dbraw/zinc/80/25/35/352802535.db2.gz GITDHZVTCSHHBA-YFKPBYRVSA-N 2 1 146.259 0.039 10 0 ACAEMP C1CC([N@H+]2CC[C@@H]3C[C@@H]32)CC[NH2+]1 575585544 352802547 /nfs/dbraw/zinc/80/25/47/352802547.db2.gz WDNSSAMCFUSVKB-SCZZXKLOSA-N 2 1 166.268 0.833 10 0 ACAEMP C[C@H](C[NH3+])[NH2+]C1CSC1 575585516 352802695 /nfs/dbraw/zinc/80/26/95/352802695.db2.gz GITDHZVTCSHHBA-RXMQYKEDSA-N 2 1 146.259 0.039 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[N@@H+]1CC[C@@H]([NH3+])C1 575585586 352803173 /nfs/dbraw/zinc/80/31/73/352803173.db2.gz IHOHRDRNASOOPU-IWSPIJDZSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[N@H+]1CC[C@@H]([NH3+])C1 575585586 352803175 /nfs/dbraw/zinc/80/31/75/352803175.db2.gz IHOHRDRNASOOPU-IWSPIJDZSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[N@@H+]1CC[C@H]([NH3+])C1 575585585 352803590 /nfs/dbraw/zinc/80/35/90/352803590.db2.gz IHOHRDRNASOOPU-HRDYMLBCSA-N 2 1 154.257 0.818 10 0 ACAEMP C[C@@H]1C[C@@]1(C)[N@H+]1CC[C@H]([NH3+])C1 575585585 352803593 /nfs/dbraw/zinc/80/35/93/352803593.db2.gz IHOHRDRNASOOPU-HRDYMLBCSA-N 2 1 154.257 0.818 10 0 ACAEMP 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352847578 /nfs/dbraw/zinc/84/75/78/352847578.db2.gz VTJIPHPNHDKYAX-AXTSPUMRSA-N 2 1 184.283 0.321 10 0 ACAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1[C@@H]1CCC[C@H]1O 575594040 352847623 /nfs/dbraw/zinc/84/76/23/352847623.db2.gz BSDUKSOTZXDMNQ-AXTSPUMRSA-N 2 1 184.283 0.321 10 0 ACAEMP CC1(C)CC[N@H+]1C1CC([NH3+])C1 575594195 352848179 /nfs/dbraw/zinc/84/81/79/352848179.db2.gz DMIDMFJTCICNLW-UHFFFAOYSA-N 2 1 154.257 0.960 10 0 ACAEMP C1C[C@@H]2C[N@@H+]([C@H]3CC[NH2+]C3)[C@@H]2C1 575594202 352848219 /nfs/dbraw/zinc/84/82/19/352848219.db2.gz DRTGZARTLFYDJE-KXUCPTDWSA-N 2 1 166.268 0.833 10 0 ACAEMP C1C[C@@H]2C[N@H+]([C@H]3CC[NH2+]C3)[C@@H]2C1 575594202 352848221 /nfs/dbraw/zinc/84/82/21/352848221.db2.gz DRTGZARTLFYDJE-KXUCPTDWSA-N 2 1 166.268 0.833 10 0 ACAEMP C1C[C@@H]2C[N@@H+]([C@@H]3CC[NH2+]C3)[C@@H]2C1 575594203 352848252 /nfs/dbraw/zinc/84/82/52/352848252.db2.gz DRTGZARTLFYDJE-OPRDCNLKSA-N 2 1 166.268 0.833 10 0 ACAEMP C1C[C@@H]2C[N@H+]([C@@H]3CC[NH2+]C3)[C@@H]2C1 575594203 352848256 /nfs/dbraw/zinc/84/82/56/352848256.db2.gz DRTGZARTLFYDJE-OPRDCNLKSA-N 2 1 166.268 0.833 10 0 ACAEMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1[C@@H]1CC[C@H]1O 575594324 352848886 /nfs/dbraw/zinc/84/88/86/352848886.db2.gz YVJCBMDYRRRASY-UTINFBMNSA-N 2 1 184.283 0.321 10 0 ACAEMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1[C@@H]1CC[C@H]1O 575594324 352848888 /nfs/dbraw/zinc/84/88/88/352848888.db2.gz YVJCBMDYRRRASY-UTINFBMNSA-N 2 1 184.283 0.321 10 0 ACAEMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1[C@@H]1CC[C@H]1O 575594322 352848915 /nfs/dbraw/zinc/84/89/15/352848915.db2.gz YVJCBMDYRRRASY-AXTSPUMRSA-N 2 1 184.283 0.321 10 0 ACAEMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1[C@@H]1CC[C@H]1O 575594322 352848917 /nfs/dbraw/zinc/84/89/17/352848917.db2.gz YVJCBMDYRRRASY-AXTSPUMRSA-N 2 1 184.283 0.321 10 0 ACAEMP C[C@@H]1CC[N@H+]1C[C@@]1(C)COC[C@H]1[NH3+] 575594268 352848928 /nfs/dbraw/zinc/84/89/28/352848928.db2.gz FZOCMBQEJPFWQB-BBBLOLIVSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1CC[N@H+]1C[C@]1(C)COC[C@H]1[NH3+] 575594270 352848933 /nfs/dbraw/zinc/84/89/33/352848933.db2.gz FZOCMBQEJPFWQB-OPRDCNLKSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1CC[N@H+]1C[C@@]1(C)COC[C@@H]1[NH3+] 575594271 352848957 /nfs/dbraw/zinc/84/89/57/352848957.db2.gz FZOCMBQEJPFWQB-UTLUCORTSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@@H]1CC[N@H+]1C[C@]1(C)COC[C@@H]1[NH3+] 575594269 352848995 /nfs/dbraw/zinc/84/89/95/352848995.db2.gz FZOCMBQEJPFWQB-KXUCPTDWSA-N 2 1 184.283 0.444 10 0 ACAEMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1[C@@H]1CC[C@H]1O 575594323 352849066 /nfs/dbraw/zinc/84/90/66/352849066.db2.gz YVJCBMDYRRRASY-SGIHWFKDSA-N 2 1 184.283 0.321 10 0 ACAEMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1[C@@H]1CC[C@H]1O 575594323 352849067 /nfs/dbraw/zinc/84/90/67/352849067.db2.gz YVJCBMDYRRRASY-SGIHWFKDSA-N 2 1 184.283 0.321 10 0 ACAEMP C[NH2+][C@@H](C[NH3+])[C@@H]1CC12CC2 575594475 352849504 /nfs/dbraw/zinc/84/95/04/352849504.db2.gz IXXGGNOWIYNYRQ-BQBZGAKWSA-N 2 1 140.230 0.333 10 0 ACAEMP C[NH2+][C@H](C[NH3+])[C@H]1CC12CC2 575594477 352849538 /nfs/dbraw/zinc/84/95/38/352849538.db2.gz IXXGGNOWIYNYRQ-RNFRBKRXSA-N 2 1 140.230 0.333 10 0 ACAEMP C[NH2+][C@H](C[NH3+])[C@@H]1CC12CC2 575594476 352849749 /nfs/dbraw/zinc/84/97/49/352849749.db2.gz IXXGGNOWIYNYRQ-NKWVEPMBSA-N 2 1 140.230 0.333 10 0 ACAEMP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CCC[C@H]2O)C1 575594397 352849783 /nfs/dbraw/zinc/84/97/83/352849783.db2.gz HHUWJKQSAHVNDP-OPRDCNLKSA-N 2 1 184.283 0.323 10 0 ACAEMP C[NH2+][C@@H](C[NH3+])[C@H]1CC12CC2 575594478 352849797 /nfs/dbraw/zinc/84/97/97/352849797.db2.gz IXXGGNOWIYNYRQ-RQJHMYQMSA-N 2 1 140.230 0.333 10 0 ACAEMP C[NH2+]C[C@H](C)[N@@H+]1CC[C@H]2C[C@H]21 575594384 352849819 /nfs/dbraw/zinc/84/98/19/352849819.db2.gz GUUIOLZDJITJEE-XHNCKOQMSA-N 2 1 154.257 0.689 10 0 ACAEMP C[NH2+]C[C@H](C)[N@H+]1CC[C@H]2C[C@H]21 575594384 352849820 /nfs/dbraw/zinc/84/98/20/352849820.db2.gz GUUIOLZDJITJEE-XHNCKOQMSA-N 2 1 154.257 0.689 10 0 ACAEMP C[NH2+]C[C@H](C)[N@@H+]1CC[C@@H]2C[C@@H]21 575594385 352849883 /nfs/dbraw/zinc/84/98/83/352849883.db2.gz GUUIOLZDJITJEE-YIZRAAEISA-N 2 1 154.257 0.689 10 0 ACAEMP C[NH2+]C[C@H](C)[N@H+]1CC[C@@H]2C[C@@H]21 575594385 352849884 /nfs/dbraw/zinc/84/98/84/352849884.db2.gz GUUIOLZDJITJEE-YIZRAAEISA-N 2 1 154.257 0.689 10 0 ACAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@]1(O)CC[NH2+]C1 575594791 352850551 /nfs/dbraw/zinc/85/05/51/352850551.db2.gz NIRFYGUWCCNEGW-UTLUCORTSA-N 2 1 184.283 0.051 10 0 ACAEMP CC1([NH3+])CCN(c2[nH]cc[nH+]2)CC1 575594686 352850670 /nfs/dbraw/zinc/85/06/70/352850670.db2.gz LLPFTVDPZZFIAF-UHFFFAOYSA-N 2 1 180.255 0.727 10 0 ACAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@]1(O)CC[NH2+]C1 575594789 352850691 /nfs/dbraw/zinc/85/06/91/352850691.db2.gz NIRFYGUWCCNEGW-KXUCPTDWSA-N 2 1 184.283 0.051 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@]2(O)CC[NH2+]C2)[C@@H]1C 575594788 352850758 /nfs/dbraw/zinc/85/07/58/352850758.db2.gz NIRFYGUWCCNEGW-BBBLOLIVSA-N 2 1 184.283 0.051 10 0 ACAEMP C[C@@H]1C[N@@H+](C[C@@]2(O)CC[NH2+]C2)[C@@H]1C 575594790 352850831 /nfs/dbraw/zinc/85/08/31/352850831.db2.gz NIRFYGUWCCNEGW-OPRDCNLKSA-N 2 1 184.283 0.051 10 0 ACAEMP C[C@@]1([NH2+][C@@H]2CCC[C@H]2O)CC[NH2+]C1 575594999 352852328 /nfs/dbraw/zinc/85/23/28/352852328.db2.gz QZQBFBAJHZHUMB-OPRDCNLKSA-N 2 1 184.283 0.241 10 0 ACAEMP C1C[C@H]2C[N@H+](CC3C[NH2+]C3)[C@H]2C1 575595093 352852422 /nfs/dbraw/zinc/85/24/22/352852422.db2.gz UYGAOVSNEYMBLP-UWVGGRQHSA-N 2 1 166.268 0.690 10 0 ACAEMP C1C[C@@H]2C[N@H+](CC3C[NH2+]C3)[C@@H]2C1 575595092 352852543 /nfs/dbraw/zinc/85/25/43/352852543.db2.gz UYGAOVSNEYMBLP-NXEZZACHSA-N 2 1 166.268 0.690 10 0 ACAEMP C1C[C@H]2C[N@H+](CC3C[NH2+]C3)[C@@H]2C1 575595094 352852608 /nfs/dbraw/zinc/85/26/08/352852608.db2.gz UYGAOVSNEYMBLP-VHSXEESVSA-N 2 1 166.268 0.690 10 0 ACAEMP C1C[C@H]2[C@H](C1)C[N@@H+]2CC1C[NH2+]C1 575595095 352852883 /nfs/dbraw/zinc/85/28/83/352852883.db2.gz UYGAOVSNEYMBLP-ZJUUUORDSA-N 2 1 166.268 0.690 10 0 ACAEMP [NH3+]C1CC([N@H+]2C[C@@H]3CCC[C@H]32)C1 575595164 352853361 /nfs/dbraw/zinc/85/33/61/352853361.db2.gz WONDWERYKWJRBM-AUXWQGHOSA-N 2 1 166.268 0.960 10 0 ACAEMP [NH3+]C1CC([N@H+]2C[C@H]3CCC[C@@H]32)C1 575595167 352853375 /nfs/dbraw/zinc/85/33/75/352853375.db2.gz WONDWERYKWJRBM-WOOKNIGNSA-N 2 1 166.268 0.960 10 0 ACAEMP [NH3+]C1CC([N@H+]2C[C@H]3CCC[C@H]32)C1 575595166 352853555 /nfs/dbraw/zinc/85/35/55/352853555.db2.gz WONDWERYKWJRBM-SEZDTBSWSA-N 2 1 166.268 0.960 10 0 ACAEMP C1CC2(C1)CC[N@@H+]2CC1C[NH2+]C1 575595232 352853716 /nfs/dbraw/zinc/85/37/16/352853716.db2.gz YJQCJIBLBIQLTD-UHFFFAOYSA-N 2 1 166.268 0.834 10 0 ACAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575595212 352853751 /nfs/dbraw/zinc/85/37/51/352853751.db2.gz XRJOICFAMVOCCS-KATARQTJSA-N 2 1 166.268 0.818 10 0 ACAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575595211 352853855 /nfs/dbraw/zinc/85/38/55/352853855.db2.gz XRJOICFAMVOCCS-AATLWQCWSA-N 2 1 166.268 0.818 10 0 ACAEMP [NH3+]C1CC([N@H+]2C[C@@H]3CCC[C@@H]32)C1 575595165 352854004 /nfs/dbraw/zinc/85/40/04/352854004.db2.gz WONDWERYKWJRBM-NFTFJBJSSA-N 2 1 166.268 0.960 10 0 ACAEMP [NH3+]C[C@H]([NH3+])[C@H]1CC12CC2 575595244 352854257 /nfs/dbraw/zinc/85/42/57/352854257.db2.gz YQTQRAVKAMGZKP-RITPCOANSA-N 2 1 126.203 0.073 10 0 ACAEMP C[NH+](C)[C@@H](C[NH3+])[C@@H]1CC12CC2 575595266 352854273 /nfs/dbraw/zinc/85/42/73/352854273.db2.gz ZSDBAKKDWUETDG-YUMQZZPRSA-N 2 1 154.257 0.675 10 0 ACAEMP C[NH+](C)[C@H](C[NH3+])[C@@H]1CC12CC2 575595264 352854407 /nfs/dbraw/zinc/85/44/07/352854407.db2.gz ZSDBAKKDWUETDG-JGVFFNPUSA-N 2 1 154.257 0.675 10 0 ACAEMP C[NH+](C)[C@H](C[NH3+])[C@H]1CC12CC2 575595263 352854569 /nfs/dbraw/zinc/85/45/69/352854569.db2.gz ZSDBAKKDWUETDG-HTQZYQBOSA-N 2 1 154.257 0.675 10 0 ACAEMP C[NH+](C)[C@@H](C[NH3+])[C@H]1CC12CC2 575595265 352854670 /nfs/dbraw/zinc/85/46/70/352854670.db2.gz ZSDBAKKDWUETDG-SFYZADRCSA-N 2 1 154.257 0.675 10 0 ACAEMP [NH3+]C[C@@H]([NH3+])[C@H]1CC12CC2 575595243 352854682 /nfs/dbraw/zinc/85/46/82/352854682.db2.gz YQTQRAVKAMGZKP-PHDIDXHHSA-N 2 1 126.203 0.073 10 0 ACAEMP [NH3+]C[C@@H]([NH3+])[C@@H]1CC12CC2 575595242 352854776 /nfs/dbraw/zinc/85/47/76/352854776.db2.gz YQTQRAVKAMGZKP-NTSWFWBYSA-N 2 1 126.203 0.073 10 0 ACAEMP [NH3+]C[C@H]([NH3+])[C@@H]1CC12CC2 575595245 352854792 /nfs/dbraw/zinc/85/47/92/352854792.db2.gz YQTQRAVKAMGZKP-WDSKDSINSA-N 2 1 126.203 0.073 10 0 ACAEMP C[C@H]1C[N@H+](CC2(O)CCC2)C[C@H]1[NH3+] 575595413 352855204 /nfs/dbraw/zinc/85/52/04/352855204.db2.gz HSPKWLHVKZWWDU-DTWKUNHWSA-N 2 1 184.283 0.180 10 0 ACAEMP C[C@H]1C[N@@H+](CC2(O)CCC2)C[C@H]1[NH3+] 575595413 352855206 /nfs/dbraw/zinc/85/52/06/352855206.db2.gz HSPKWLHVKZWWDU-DTWKUNHWSA-N 2 1 184.283 0.180 10 0 ACAEMP C[C@@H]1C[N@H+](CC2(O)CCC2)C[C@@H]1[NH3+] 575595412 352855537 /nfs/dbraw/zinc/85/55/37/352855537.db2.gz HSPKWLHVKZWWDU-BDAKNGLRSA-N 2 1 184.283 0.180 10 0 ACAEMP C[C@@H]1C[N@@H+](CC2(O)CCC2)C[C@@H]1[NH3+] 575595412 352855538 /nfs/dbraw/zinc/85/55/38/352855538.db2.gz HSPKWLHVKZWWDU-BDAKNGLRSA-N 2 1 184.283 0.180 10 0 ACAEMP C[C@H]1C[N@H+](CC2(O)CCC2)C[C@@H]1[NH3+] 575595414 352855560 /nfs/dbraw/zinc/85/55/60/352855560.db2.gz HSPKWLHVKZWWDU-IUCAKERBSA-N 2 1 184.283 0.180 10 0 ACAEMP C[C@H]1C[N@@H+](CC2(O)CCC2)C[C@@H]1[NH3+] 575595414 352855561 /nfs/dbraw/zinc/85/55/61/352855561.db2.gz HSPKWLHVKZWWDU-IUCAKERBSA-N 2 1 184.283 0.180 10 0 ACAEMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC1(O)CCC1 575595882 352857374 /nfs/dbraw/zinc/85/73/74/352857374.db2.gz YKOALIGTGMYTCD-IUCAKERBSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC1(O)CCC1 575595882 352857376 /nfs/dbraw/zinc/85/73/76/352857376.db2.gz YKOALIGTGMYTCD-IUCAKERBSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CC1(O)CCC1 575595878 352857446 /nfs/dbraw/zinc/85/74/46/352857446.db2.gz YKOALIGTGMYTCD-BDAKNGLRSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CC1(O)CCC1 575595878 352857448 /nfs/dbraw/zinc/85/74/48/352857448.db2.gz YKOALIGTGMYTCD-BDAKNGLRSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@H]1[C@H]([NH3+])CC[N@@H+]1CC1(O)CCC1 575595880 352857533 /nfs/dbraw/zinc/85/75/33/352857533.db2.gz YKOALIGTGMYTCD-DTWKUNHWSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CC1(O)CCC1 575595880 352857535 /nfs/dbraw/zinc/85/75/35/352857535.db2.gz YKOALIGTGMYTCD-DTWKUNHWSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1(O)CCC1 575595887 352857623 /nfs/dbraw/zinc/85/76/23/352857623.db2.gz YKOALIGTGMYTCD-RKDXNWHRSA-N 2 1 184.283 0.323 10 0 ACAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1(O)CCC1 575595887 352857626 /nfs/dbraw/zinc/85/76/26/352857626.db2.gz YKOALIGTGMYTCD-RKDXNWHRSA-N 2 1 184.283 0.323 10 0 ACAEMP [NH3+]C[C@]1(F)C[NH+]2CCC1CC2 575622025 352867470 /nfs/dbraw/zinc/86/74/70/352867470.db2.gz CVJSJUDOAWFRHF-QMMMGPOBSA-N 2 1 158.220 0.379 10 0 ACAEMP [NH3+]C[C@@]1(F)C[NH+]2CCC1CC2 575622020 352867521 /nfs/dbraw/zinc/86/75/21/352867521.db2.gz CVJSJUDOAWFRHF-MRVPVSSYSA-N 2 1 158.220 0.379 10 0 ACAEMP CSCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 591567789 352916797 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RGCCDIOXSZIMRA-UEJVZZJDSA-N 2 1 154.257 0.818 10 0 ACAEMP CC12CC(C[N@H+]1CCC[NH3+])C2 662335991 409720852 /nfs/dbraw/zinc/72/08/52/409720852.db2.gz BOBRRNOFDYVSTI-UHFFFAOYSA-N 2 1 154.257 0.820 10 0 ACAEMP CC12CC(C[N@H+]1CCOCC[NH3+])C2 662338751 409721118 /nfs/dbraw/zinc/72/11/18/409721118.db2.gz VJXBJWWHSDLESV-UHFFFAOYSA-N 2 1 184.283 0.446 10 0 ACAEMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC2CC1(C)C2 662336313 409721326 /nfs/dbraw/zinc/72/13/26/409721326.db2.gz BZZNIZIENGWCRB-VQXHTEKXSA-N 2 1 198.310 0.441 10 0 ACAEMP CC12CC(C[N@@H+]1CC[NH3+])C2 662338265 409721381 /nfs/dbraw/zinc/72/13/81/409721381.db2.gz PQBPBXHIKGCWRI-UHFFFAOYSA-N 2 1 140.230 0.429 10 0 ACAEMP CC12CC(C[N@H+]1CC[NH3+])C2 662338265 409721384 /nfs/dbraw/zinc/72/13/84/409721384.db2.gz PQBPBXHIKGCWRI-UHFFFAOYSA-N 2 1 140.230 0.429 10 0 ACAEMP C[NH2+]C[C@](C)(O)C[N@H+]1CC2CC1(C)C2 662336312 409721481 /nfs/dbraw/zinc/72/14/81/409721481.db2.gz BZZNIZIENGWCRB-ILDUYXDCSA-N 2 1 198.310 0.441 10 0 ACAEMP C[C@@H]([NH3+])CN(C)[C@@H]1CC[N@H+](C2CC2)C1 308521131 409729787 /nfs/dbraw/zinc/72/97/87/409729787.db2.gz XWUTYCBSFKJGPB-MWLCHTKSSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@H]([NH3+])CN(C)[C@H]1CC[N@H+](C2CC2)C1 308521132 409730786 /nfs/dbraw/zinc/73/07/86/409730786.db2.gz XWUTYCBSFKJGPB-ONGXEEELSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@H]([NH3+])CN(C)[C@@H]1CC[N@H+](C2CC2)C1 308521129 409731249 /nfs/dbraw/zinc/73/12/49/409731249.db2.gz XWUTYCBSFKJGPB-GXSJLCMTSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@@H]([NH3+])CN(C)[C@H]1CC[N@H+](C2CC2)C1 308521130 409731375 /nfs/dbraw/zinc/73/13/75/409731375.db2.gz XWUTYCBSFKJGPB-KOLCDFICSA-N 2 1 197.326 0.502 10 0 ACAEMP C[C@H](O)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 308523181 409733124 /nfs/dbraw/zinc/73/31/24/409733124.db2.gz VLFXQZFGXCXXHR-UWVGGRQHSA-N 2 1 186.299 0.299 10 0 ACAEMP C[C@@H](O)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 308523180 409733681 /nfs/dbraw/zinc/73/36/81/409733681.db2.gz VLFXQZFGXCXXHR-NXEZZACHSA-N 2 1 186.299 0.299 10 0 ACAEMP C[C@@H](O)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 308523183 409733911 /nfs/dbraw/zinc/73/39/11/409733911.db2.gz VLFXQZFGXCXXHR-ZJUUUORDSA-N 2 1 186.299 0.299 10 0 ACAEMP C[C@H](O)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 308523182 409734124 /nfs/dbraw/zinc/73/41/24/409734124.db2.gz VLFXQZFGXCXXHR-VHSXEESVSA-N 2 1 186.299 0.299 10 0 ACAEMP COCC1(C[NH2+][C@@H]2CC[NH2+]C2)CCC1 308560191 409735619 /nfs/dbraw/zinc/73/56/19/409735619.db2.gz DVELPXVROIBPPM-SNVBAGLBSA-N 2 1 198.310 0.755 10 0 ACAEMP CC(C)([NH3+])C[N@H+]1CC[C@@H](CCO)C1 308593455 409739805 /nfs/dbraw/zinc/73/98/05/409739805.db2.gz XAVBBENKDQRANF-VIFPVBQESA-N 2 1 186.299 0.428 10 0 ACAEMP CC(C)([NH3+])C[N@H+]1CC[C@H](CCO)C1 308593454 409740722 /nfs/dbraw/zinc/74/07/22/409740722.db2.gz XAVBBENKDQRANF-SECBINFHSA-N 2 1 186.299 0.428 10 0 ACAEMP C[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 308660616 409746455 /nfs/dbraw/zinc/74/64/55/409746455.db2.gz PPPZZSDAHPGCJB-DVVUODLYSA-N 2 1 198.310 0.440 10 0 ACAEMP C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 308660617 409746036 /nfs/dbraw/zinc/74/60/36/409746036.db2.gz PPPZZSDAHPGCJB-FBIMIBRVSA-N 2 1 198.310 0.440 10 0 ACAEMP C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 308660617 409746042 /nfs/dbraw/zinc/74/60/42/409746042.db2.gz PPPZZSDAHPGCJB-FBIMIBRVSA-N 2 1 198.310 0.440 10 0 ACAEMP C[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 308660616 409746448 /nfs/dbraw/zinc/74/64/48/409746448.db2.gz PPPZZSDAHPGCJB-DVVUODLYSA-N 2 1 198.310 0.440 10 0 ACAEMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH2+]C1 308654278 409748068 /nfs/dbraw/zinc/74/80/68/409748068.db2.gz MMNXLRYELKMSGE-QWRGUYRKSA-N 2 1 199.342 0.667 10 0 ACAEMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH2+]C1 308654279 409748080 /nfs/dbraw/zinc/74/80/80/409748080.db2.gz MMNXLRYELKMSGE-WDEREUQCSA-N 2 1 199.342 0.667 10 0 ACAEMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH2+]C1 308654276 409748140 /nfs/dbraw/zinc/74/81/40/409748140.db2.gz MMNXLRYELKMSGE-GHMZBOCLSA-N 2 1 199.342 0.667 10 0 ACAEMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH2+]C1 308654277 409748543 /nfs/dbraw/zinc/74/85/43/409748543.db2.gz MMNXLRYELKMSGE-MNOVXSKESA-N 2 1 199.342 0.667 10 0 ACAEMP C1CC(CC[NH2+][C@H]2CC[NH2+]C2)CC[NH2+]1 308928408 409758453 /nfs/dbraw/zinc/75/84/53/409758453.db2.gz IXEXGYWGADLZHO-NSHDSACASA-N 3 1 197.326 0.328 10 0 ACAEMP C1CC(CC[NH2+][C@@H]2CC[NH2+]C2)CC[NH2+]1 308928406 409759583 /nfs/dbraw/zinc/75/95/83/409759583.db2.gz IXEXGYWGADLZHO-LLVKDONJSA-N 3 1 197.326 0.328 10 0 ACAEMP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1CC(N)=O 309007231 409762173 /nfs/dbraw/zinc/76/21/73/409762173.db2.gz QHKUZIWRNVLGLC-DTWKUNHWSA-N 2 1 199.298 0.064 10 0 ACAEMP C[C@]1(C[N@@H+](CCO)C2CC2)CC[NH2+]C1 308950296 409763424 /nfs/dbraw/zinc/76/34/24/409763424.db2.gz USSBAONDMBSZRZ-NSHDSACASA-N 2 1 198.310 0.443 10 0 ACAEMP C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1CC(N)=O 309007230 409764239 /nfs/dbraw/zinc/76/42/39/409764239.db2.gz QHKUZIWRNVLGLC-BDAKNGLRSA-N 2 1 199.298 0.064 10 0 ACAEMP C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1CC(N)=O 309007232 409764553 /nfs/dbraw/zinc/76/45/53/409764553.db2.gz QHKUZIWRNVLGLC-IUCAKERBSA-N 2 1 199.298 0.064 10 0 ACAEMP C[C@@]1(C[N@@H+](CCO)C2CC2)CC[NH2+]C1 308950295 409764672 /nfs/dbraw/zinc/76/46/72/409764672.db2.gz USSBAONDMBSZRZ-LLVKDONJSA-N 2 1 198.310 0.443 10 0 ACAEMP C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1CC(N)=O 309007233 409764995 /nfs/dbraw/zinc/76/49/95/409764995.db2.gz QHKUZIWRNVLGLC-RKDXNWHRSA-N 2 1 199.298 0.064 10 0 ACAEMP CCOC[C@@H](C)[NH2+]CC12CC(C[NH2+]1)C2 663497310 409784498 /nfs/dbraw/zinc/78/44/98/409784498.db2.gz DLNZDNPWFRQNCC-KPPDAEKUSA-N 2 1 198.310 0.753 10 0 ACAEMP C[C@@H]1OCC[C@@H]1[NH2+]CC12CC(C[NH2+]1)C2 663497651 409785018 /nfs/dbraw/zinc/78/50/18/409785018.db2.gz IVRKIZSVBRCAHJ-XEAZBWPWSA-N 2 1 196.294 0.505 10 0 ACAEMP CC(C)([NH3+])C[N@@H+]1CC[C@H]2COC[C@H]2C1 663499116 409785125 /nfs/dbraw/zinc/78/51/25/409785125.db2.gz ASSMYUPHVJTROA-VHSXEESVSA-N 2 1 198.310 0.692 10 0 ACAEMP CC(C)([NH3+])C[N@H+]1CC[C@H]2COC[C@H]2C1 663499116 409785128 /nfs/dbraw/zinc/78/51/28/409785128.db2.gz ASSMYUPHVJTROA-VHSXEESVSA-N 2 1 198.310 0.692 10 0 ACAEMP CC(C)[C@H]([NH3+])CC[NH2+]CCC[NH3+] 663502734 409785542 /nfs/dbraw/zinc/78/55/42/409785542.db2.gz LIPXQIYZTKWSEK-SECBINFHSA-N 3 1 173.304 0.298 10 0 ACAEMP CC(C)([NH3+])C[N@@H+]1CC[C@H]2COC[C@@H]2C1 663499115 409785551 /nfs/dbraw/zinc/78/55/51/409785551.db2.gz ASSMYUPHVJTROA-UWVGGRQHSA-N 2 1 198.310 0.692 10 0 ACAEMP CC(C)([NH3+])C[N@H+]1CC[C@H]2COC[C@@H]2C1 663499115 409785557 /nfs/dbraw/zinc/78/55/57/409785557.db2.gz ASSMYUPHVJTROA-UWVGGRQHSA-N 2 1 198.310 0.692 10 0 ACAEMP CC[C@@H](COC)[NH2+]CC12CC(C[NH2+]1)C2 663500978 409785575 /nfs/dbraw/zinc/78/55/75/409785575.db2.gz QRTKZPOJGYLRHU-YVNMAJEFSA-N 2 1 198.310 0.753 10 0 ACAEMP CCOC[C@H](C)[NH2+]CC12CC(C[NH2+]1)C2 663497311 409785633 /nfs/dbraw/zinc/78/56/33/409785633.db2.gz DLNZDNPWFRQNCC-WHXUTIOJSA-N 2 1 198.310 0.753 10 0 ACAEMP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 663499117 409785976 /nfs/dbraw/zinc/78/59/76/409785976.db2.gz ASSMYUPHVJTROA-ZJUUUORDSA-N 2 1 198.310 0.692 10 0 ACAEMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2COC[C@@H]2C1 663499117 409785984 /nfs/dbraw/zinc/78/59/84/409785984.db2.gz ASSMYUPHVJTROA-ZJUUUORDSA-N 2 1 198.310 0.692 10 0 ACAEMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc[nH]n1 663498678 409786461 /nfs/dbraw/zinc/78/64/61/409786461.db2.gz RLKTVEIOWRCWQV-SNVBAGLBSA-N 2 1 196.298 0.873 10 0 ACAEMP CC[C@H](COC)[NH2+]CC12CC(C[NH2+]1)C2 663500975 409786610 /nfs/dbraw/zinc/78/66/10/409786610.db2.gz QRTKZPOJGYLRHU-HSOILSAZSA-N 2 1 198.310 0.753 10 0 ACAEMP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2COC[C@H]2C1 663499114 409786710 /nfs/dbraw/zinc/78/67/10/409786710.db2.gz ASSMYUPHVJTROA-NXEZZACHSA-N 2 1 198.310 0.692 10 0 ACAEMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2COC[C@H]2C1 663499114 409786715 /nfs/dbraw/zinc/78/67/15/409786715.db2.gz ASSMYUPHVJTROA-NXEZZACHSA-N 2 1 198.310 0.692 10 0 ACAEMP C[C@H]1OCC[C@H]1[NH2+]CC12CC(C[NH2+]1)C2 663497648 409786731 /nfs/dbraw/zinc/78/67/31/409786731.db2.gz IVRKIZSVBRCAHJ-BZCXBAJXSA-N 2 1 196.294 0.505 10 0 ACAEMP C[C@H]1OCC[C@@H]1[NH2+]CC12CC(C[NH2+]1)C2 663497650 409786744 /nfs/dbraw/zinc/78/67/44/409786744.db2.gz IVRKIZSVBRCAHJ-VKAADOFISA-N 2 1 196.294 0.505 10 0 ACAEMP C[C@@H]1OCC[C@H]1[NH2+]CC12CC(C[NH2+]1)C2 663497649 409786884 /nfs/dbraw/zinc/78/68/84/409786884.db2.gz IVRKIZSVBRCAHJ-QPBDYMMBSA-N 2 1 196.294 0.505 10 0 ACAEMP CC(C)C[N@@H+]1CCOC2(CNC2)C1 663513345 409787444 /nfs/dbraw/zinc/78/74/44/409787444.db2.gz SXHYAACCYLDHIQ-UHFFFAOYSA-N 2 1 184.283 0.317 10 0 ACAEMP CC(C)C[N@H+]1CCOC2(CNC2)C1 663513345 409787447 /nfs/dbraw/zinc/78/74/47/409787447.db2.gz SXHYAACCYLDHIQ-UHFFFAOYSA-N 2 1 184.283 0.317 10 0 ACAEMP CC[C@@H](C)C[N@H+]1CCOC2(CNC2)C1 663510852 409787802 /nfs/dbraw/zinc/78/78/02/409787802.db2.gz SENSUPXUHIIJOF-SNVBAGLBSA-N 2 1 198.310 0.707 10 0 ACAEMP CC[C@@H](C)CN1CCOC2(C[NH2+]C2)C1 663510852 409787806 /nfs/dbraw/zinc/78/78/06/409787806.db2.gz SENSUPXUHIIJOF-SNVBAGLBSA-N 2 1 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86433030 573427464 /nfs/dbraw/zinc/42/74/64/573427464.db2.gz MCYRBTJLMCBVNN-LIZLNQBYSA-N 2 1 198.310 0.569 10 0 ACAEMP C[N@@H+](CCO)[C@@H]1CCC[C@H]([NH3+])C1 86431603 573427508 /nfs/dbraw/zinc/42/75/08/573427508.db2.gz NIBNWRQYDMCGEQ-DTWKUNHWSA-N 2 1 172.272 0.180 10 0 ACAEMP C[C@@H]1[C@H]2C[NH2+]CC[C@@H]2CC[N@H+]1C 107223711 573427520 /nfs/dbraw/zinc/42/75/20/573427520.db2.gz JPPINYCZBBAPCR-OPRDCNLKSA-N 2 1 168.284 0.936 10 0 ACAEMP CCC[N@H+](C(C)C)[C@H](C[NH3+])CO 130023826 573427650 /nfs/dbraw/zinc/42/76/50/573427650.db2.gz OGQLIMKNYWTMGF-SECBINFHSA-N 2 1 174.288 0.426 10 0 ACAEMP CCC[N@@H+](C(C)C)[C@H](C[NH3+])CO 130023826 573427653 /nfs/dbraw/zinc/42/76/53/573427653.db2.gz OGQLIMKNYWTMGF-SECBINFHSA-N 2 1 174.288 0.426 10 0 ACAEMP CC[C@H](C)[N@H+](CC)[C@@H](C[NH3+])CO 130026625 573431446 /nfs/dbraw/zinc/43/14/46/573431446.db2.gz DBHBOTJUVMVRKS-IUCAKERBSA-N 2 1 174.288 0.426 10 0 ACAEMP [NH3+]C[C@@H]1C2CC(C2)[N@@H+]1C1CC1 258649593 573430807 /nfs/dbraw/zinc/43/08/07/573430807.db2.gz ZIQSOXACXCSRMN-KPIFQKDSSA-N 2 1 152.241 0.570 10 0 ACAEMP [NH3+]C[C@@H]1C2CC(C2)[N@H+]1C1CC1 258649593 573430812 /nfs/dbraw/zinc/43/08/12/573430812.db2.gz ZIQSOXACXCSRMN-KPIFQKDSSA-N 2 1 152.241 0.570 10 0 ACAEMP C1C[NH+]=C(N[C@@H]2C[NH+]3CCC2CC3)C1 86454492 573430861 /nfs/dbraw/zinc/43/08/61/573430861.db2.gz APCGMUBMEBYRSY-SNVBAGLBSA-N 2 1 193.294 0.863 10 0 ACAEMP C[C@@](O)(C[NH2+]C[C@H]1CCC[NH2+]1)C1CC1 308581679 573430965 /nfs/dbraw/zinc/43/09/65/573430965.db2.gz PNCDVDZPBIFMTN-GHMZBOCLSA-N 2 1 198.310 0.489 10 0 ACAEMP CC[C@H](C)[N@@H+](CC)[C@@H](C[NH3+])CO 130026625 573431451 /nfs/dbraw/zinc/43/14/51/573431451.db2.gz DBHBOTJUVMVRKS-IUCAKERBSA-N 2 1 174.288 0.426 10 0 ACAEMP CC[N@@H+](C1CCCC1)[C@H](C[NH3+])CO 130030743 573434134 /nfs/dbraw/zinc/43/41/34/573434134.db2.gz KYXIIIBMEOLUIV-SNVBAGLBSA-N 2 1 186.299 0.571 10 0 ACAEMP OC[C@H]1CC[NH2+]C[C@@H]1[NH+]1CCCC1 215203182 573431217 /nfs/dbraw/zinc/43/12/17/573431217.db2.gz VDLQAQVNYYQOMZ-ZJUUUORDSA-N 2 1 184.283 0.053 10 0 ACAEMP CC[N@H+](CC(C)C)[C@@H](C[NH3+])CO 130025924 573431252 /nfs/dbraw/zinc/43/12/52/573431252.db2.gz BYVVWVWBDOTMLB-VIFPVBQESA-N 2 1 174.288 0.284 10 0 ACAEMP CC[N@@H+](CC(C)C)[C@@H](C[NH3+])CO 130025924 573431257 /nfs/dbraw/zinc/43/12/57/573431257.db2.gz BYVVWVWBDOTMLB-VIFPVBQESA-N 2 1 174.288 0.284 10 0 ACAEMP CC[C@@H]1CCC[N@H+]([C@@H](CN)CO)C1 130035049 573431333 /nfs/dbraw/zinc/43/13/33/573431333.db2.gz TUFCXNOIDAZEFZ-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP CC[C@@H]1CCCN([C@@H](C[NH3+])CO)C1 130035049 573431341 /nfs/dbraw/zinc/43/13/41/573431341.db2.gz TUFCXNOIDAZEFZ-ZJUUUORDSA-N 2 1 186.299 0.428 10 0 ACAEMP CC[N@H+](C1CCCC1)[C@H](C[NH3+])CO 130030743 573434139 /nfs/dbraw/zinc/43/41/39/573434139.db2.gz KYXIIIBMEOLUIV-SNVBAGLBSA-N 2 1 186.299 0.571 10 0 ACAEMP C[C@@H]1[C@H]2CC[NH2+]C[C@@H]2CC[N@H+]1C 107223728 573434916 /nfs/dbraw/zinc/43/49/16/573434916.db2.gz AVHMNZXHBPMYDY-KXUCPTDWSA-N 2 1 168.284 0.936 10 0 ACAEMP CCc1c[nH+]c(C[C@@H](C)[NH3+])n1C 107223147 573434148 /nfs/dbraw/zinc/43/41/48/573434148.db2.gz RHEUSMYWVIHGDO-SSDOTTSWSA-N 2 1 167.256 0.872 10 0 ACAEMP C[N@H+]1CC[C@@H](CNC2=[NH+]CCC2)C1 86454725 573434173 /nfs/dbraw/zinc/43/41/73/573434173.db2.gz WNOANOGXPOSEPQ-VIFPVBQESA-N 2 1 181.283 0.720 10 0 ACAEMP C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1(C)C 107223750 573434198 /nfs/dbraw/zinc/43/41/98/573434198.db2.gz RTMIEKJXFLAIMK-DTWKUNHWSA-N 2 1 168.284 0.936 10 0 ACAEMP OC[C@H]1CC[NH2+]C[C@H]1[NH+]1CCCC1 215203136 573434294 /nfs/dbraw/zinc/43/42/94/573434294.db2.gz VDLQAQVNYYQOMZ-NXEZZACHSA-N 2 1 184.283 0.053 10 0 ACAEMP C[NH2+]CC(F)(F)[C@@H]1CC[NH2+]C1 258649425 573434326 /nfs/dbraw/zinc/43/43/26/573434326.db2.gz ZHZAHLHIRVUTKD-ZCFIWIBFSA-N 2 1 164.199 0.451 10 0 ACAEMP CC(C)[C@@H](C)[N@@H+](C)[C@@H](CN)CO 130033700 573434510 /nfs/dbraw/zinc/43/45/10/573434510.db2.gz PNTGQTBMKDLLSV-BDAKNGLRSA-N 2 1 174.288 0.282 10 0 ACAEMP CC(C)[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])CO 130033700 573434526 /nfs/dbraw/zinc/43/45/26/573434526.db2.gz PNTGQTBMKDLLSV-BDAKNGLRSA-N 2 1 174.288 0.282 10 0 ACAEMP OC[C@@H]1CC[NH2+]C[C@H]1[NH+]1CCCC1 215203233 573434527 /nfs/dbraw/zinc/43/45/27/573434527.db2.gz VDLQAQVNYYQOMZ-VHSXEESVSA-N 2 1 184.283 0.053 10 0 ACAEMP C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1(C)C 107223743 573434807 /nfs/dbraw/zinc/43/48/07/573434807.db2.gz RTMIEKJXFLAIMK-RKDXNWHRSA-N 2 1 168.284 0.936 10 0 ACAEMP C[C@H]1CN([C@@H]2CCC[N@H+]2C)CCC[NH2+]1 258355679 573446791 /nfs/dbraw/zinc/44/67/91/573446791.db2.gz ZRFQQNLCVJDZTD-WDEREUQCSA-N 2 1 197.326 0.722 10 0 ACAEMP CC[C@H](C[NH3+])[C@@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259449860 573446854 /nfs/dbraw/zinc/44/68/54/573446854.db2.gz OCEBEAKJTDLEGV-OPRDCNLKSA-N 3 1 185.315 0.250 10 0 ACAEMP CC[C@H](C[NH3+])[C@@H](N)[C@@H]1CC[N@H+](C)C1 259449860 573446858 /nfs/dbraw/zinc/44/68/58/573446858.db2.gz OCEBEAKJTDLEGV-OPRDCNLKSA-N 2 1 185.315 0.250 10 0 ACAEMP CC[C@H](C[NH3+])[C@@H](N)[C@@H]1CC[N@@H+](C)C1 259449860 573446865 /nfs/dbraw/zinc/44/68/65/573446865.db2.gz OCEBEAKJTDLEGV-OPRDCNLKSA-N 2 1 185.315 0.250 10 0 ACAEMP CC[C@@H](C[NH3+])C[NH2+]CCC[NH+](C)C 258654208 573446877 /nfs/dbraw/zinc/44/68/77/573446877.db2.gz NADLVECUWBHJJR-JTQLQIEISA-N 3 1 187.331 0.513 10 0 ACAEMP CC(=O)CC[NH2+]CCC[NH+](C)C 258654115 573446928 /nfs/dbraw/zinc/44/69/28/573446928.db2.gz MYLVHISXFHESFM-UHFFFAOYSA-N 2 1 172.272 0.507 10 0 ACAEMP C[C@H]1CN([C@H]2CCC[N@H+]2C)CCC[NH2+]1 258355677 573446940 /nfs/dbraw/zinc/44/69/40/573446940.db2.gz ZRFQQNLCVJDZTD-QWRGUYRKSA-N 2 1 197.326 0.722 10 0 ACAEMP C[N@H+]1CCC[C@H](C(=O)C(C)(C)C[NH3+])C1 259103344 573446941 /nfs/dbraw/zinc/44/69/41/573446941.db2.gz HGVOQXSYCBUIEE-VIFPVBQESA-N 2 1 198.310 0.882 10 0 ACAEMP CCCN1C(N)=[NH+]C[C@@]12CC[N@@H+](C)C2 86460061 573446562 /nfs/dbraw/zinc/44/65/62/573446562.db2.gz QHBQZWPVOJOISS-SNVBAGLBSA-N 2 1 196.298 0.101 10 0 ACAEMP CC(C)(C[NH3+])[NH2+]C1CCOCC1 257816716 573446648 /nfs/dbraw/zinc/44/66/48/573446648.db2.gz DJBBIGZWQWVOAY-UHFFFAOYSA-N 2 1 172.272 0.492 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])C(C)(C)CC[NH3+])C1 259103104 573446696 /nfs/dbraw/zinc/44/66/96/573446696.db2.gz BCBWZLDPCUJUDZ-NXEZZACHSA-N 3 1 199.342 0.640 10 0 ACAEMP C[NH2+][C@H](C[C@H](C)C[NH3+])[C@H]1CC[N@@H+](C)C1 259454483 573457448 /nfs/dbraw/zinc/45/74/48/573457448.db2.gz PEPBAZZQFUAHOA-GARJFASQSA-N 3 1 199.342 0.511 10 0 ACAEMP C[NH2+][C@H](C[C@H](C)C[NH3+])[C@H]1CCN(C)C1 259454483 573457460 /nfs/dbraw/zinc/45/74/60/573457460.db2.gz PEPBAZZQFUAHOA-GARJFASQSA-N 2 1 199.342 0.511 10 0 ACAEMP C[C@@]1(C[C@@H]2CCCC[NH2+]2)[NH2+]CCO1 258361020 573457725 /nfs/dbraw/zinc/45/77/25/573457725.db2.gz GGIGEIOIHQDQRT-VHSXEESVSA-N 2 1 184.283 0.855 10 0 ACAEMP CC[N@H+]1CC[C@@H]2C[C@]2([NH3+])C1 258034873 573467855 /nfs/dbraw/zinc/46/78/55/573467855.db2.gz PKXZOHNUOQAJRB-SFYZADRCSA-N 2 1 140.230 0.429 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@@H](CO)CC(C)(C)C 393523343 573467902 /nfs/dbraw/zinc/46/79/02/573467902.db2.gz RBBVMBRVTGOWQT-RKDXNWHRSA-N 2 1 188.315 0.720 10 0 ACAEMP C[NH2+]C(C)(C)[C@@H](N)C1CC[NH+](C)CC1 259462015 573468071 /nfs/dbraw/zinc/46/80/71/573468071.db2.gz RCNXBIIUEQXCAQ-JTQLQIEISA-N 2 1 199.342 0.654 10 0 ACAEMP C[C@H](C[NH3+])[NH2+][C@H](CO)CC(C)(C)C 393523340 573468390 /nfs/dbraw/zinc/46/83/90/573468390.db2.gz RBBVMBRVTGOWQT-BDAKNGLRSA-N 2 1 188.315 0.720 10 0 ACAEMP C[N@H+]1CCC[C@H]1Cc1oncc1C[NH3+] 258393208 573468472 /nfs/dbraw/zinc/46/84/72/573468472.db2.gz BGWOJPAJCKOLHZ-VIFPVBQESA-N 2 1 195.266 0.770 10 0 ACAEMP C[C@@H]1CO[C@@](C)([C@@H]2CC[NH2+]C2)[NH2+]1 258388016 573468608 /nfs/dbraw/zinc/46/86/08/573468608.db2.gz HPCMZVYJLUTREM-HLTSFMKQSA-N 2 1 170.256 0.320 10 0 ACAEMP C[C@@H]1CO[C@@](C)([C@H]2CC[NH2+]C2)[NH2+]1 258388030 573468668 /nfs/dbraw/zinc/46/86/68/573468668.db2.gz HPCMZVYJLUTREM-VGMNWLOBSA-N 2 1 170.256 0.320 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H]([NH3+])CC[NH3+])C1 259462045 573468785 /nfs/dbraw/zinc/46/87/85/573468785.db2.gz RCSBBTNDWADFRI-DTWKUNHWSA-N 3 1 171.288 0.004 10 0 ACAEMP C[N@@H+]1CCC[C@H]([C@H](N)CC[NH3+])C1 259462045 573468792 /nfs/dbraw/zinc/46/87/92/573468792.db2.gz RCSBBTNDWADFRI-DTWKUNHWSA-N 2 1 171.288 0.004 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H](N)CC[NH3+])C1 259462045 573468798 /nfs/dbraw/zinc/46/87/98/573468798.db2.gz RCSBBTNDWADFRI-DTWKUNHWSA-N 2 1 171.288 0.004 10 0 ACAEMP C[C@@H]1C[NH2+][C@](C)(C[C@@H]2CCC[NH2+]2)O1 258399959 573468953 /nfs/dbraw/zinc/46/89/53/573468953.db2.gz IJHOOBKCEHLUND-UTLUCORTSA-N 2 1 184.283 0.853 10 0 ACAEMP CC(C)[C@H]1C[C@@H](C[NH3+])[N@H+](C)C1 258498719 573468998 /nfs/dbraw/zinc/46/89/98/573468998.db2.gz KTBKJYQBAQYSCH-IUCAKERBSA-N 2 1 156.273 0.921 10 0 ACAEMP CC(C)[C@H]1C[C@@H](C[NH3+])[N@@H+](C)C1 258498719 573469004 /nfs/dbraw/zinc/46/90/04/573469004.db2.gz KTBKJYQBAQYSCH-IUCAKERBSA-N 2 1 156.273 0.921 10 0 ACAEMP C[C@@H]1C[NH2+][C@](C)(C[C@H]2CCC[NH2+]2)O1 258399948 573469095 /nfs/dbraw/zinc/46/90/95/573469095.db2.gz IJHOOBKCEHLUND-BBBLOLIVSA-N 2 1 184.283 0.853 10 0 ACAEMP CC(C)[C@@H]1C[C@H](C[NH3+])[N@H+](C)C1 258498727 573469247 /nfs/dbraw/zinc/46/92/47/573469247.db2.gz KTBKJYQBAQYSCH-RKDXNWHRSA-N 2 1 156.273 0.921 10 0 ACAEMP C[C@H]1OCC[C@@]1(C)[NH2+]C[C@@H]1CCC[NH2+]1 235602130 573469249 /nfs/dbraw/zinc/46/92/49/573469249.db2.gz GHNYLJWOUTVTBB-OUAUKWLOSA-N 2 1 198.310 0.896 10 0 ACAEMP CC(C)[C@@H]1C[C@H](C[NH3+])[N@@H+](C)C1 258498727 573469253 /nfs/dbraw/zinc/46/92/53/573469253.db2.gz KTBKJYQBAQYSCH-RKDXNWHRSA-N 2 1 156.273 0.921 10 0 ACAEMP [NH3+][C@H](CC[N@H+]1CCCOCC1)C1CC1 130092792 573469453 /nfs/dbraw/zinc/46/94/53/573469453.db2.gz AAYHCKSZNRYEQO-LLVKDONJSA-N 2 1 198.310 0.836 10 0 ACAEMP [NH3+]C[C@H]1CC[N@H+](Cc2cccnn2)C1 236245361 573469464 /nfs/dbraw/zinc/46/94/64/573469464.db2.gz PFPPEOASBMRHSH-SECBINFHSA-N 2 1 192.266 0.257 10 0 ACAEMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccnn2)C1 236245361 573469467 /nfs/dbraw/zinc/46/94/67/573469467.db2.gz PFPPEOASBMRHSH-SECBINFHSA-N 2 1 192.266 0.257 10 0 ACAEMP [NH3+][C@@H](CC[N@H+]1CCCOCC1)C1CC1 130092582 573469543 /nfs/dbraw/zinc/46/95/43/573469543.db2.gz AAYHCKSZNRYEQO-NSHDSACASA-N 2 1 198.310 0.836 10 0 ACAEMP COCCc1[nH+]cc2n1C[C@@H]([NH3+])CC2 258391486 573469554 /nfs/dbraw/zinc/46/95/54/573469554.db2.gz UJEIWFFZTQMGGT-QMMMGPOBSA-N 2 1 195.266 0.346 10 0 ACAEMP C[C@@H]1CO[C@](C)([C@H]2CC[NH2+]C2)[NH2+]1 258388020 573469566 /nfs/dbraw/zinc/46/95/66/573469566.db2.gz HPCMZVYJLUTREM-HRDYMLBCSA-N 2 1 170.256 0.320 10 0 ACAEMP C[NH2+]CCN(C)C[C@@H]1CCC[N@@H+](C)C1 258664001 573469652 /nfs/dbraw/zinc/46/96/52/573469652.db2.gz BZDSWYICWWWHAL-LLVKDONJSA-N 2 1 199.342 0.479 10 0 ACAEMP CC1(C)CO[C@@H]([C@H]2CCC[NH2+]C2)[NH2+]1 258358074 573469762 /nfs/dbraw/zinc/46/97/62/573469762.db2.gz GEIUVXNEFYLSIV-IUCAKERBSA-N 2 1 184.283 0.711 10 0 ACAEMP C[NH2+]CCN(C)C[C@H]1CCC[N@@H+](C)C1 258664006 573470880 /nfs/dbraw/zinc/47/08/80/573470880.db2.gz BZDSWYICWWWHAL-NSHDSACASA-N 2 1 199.342 0.479 10 0 ACAEMP C[N@@H+]1CC[C@H]([NH3+])C12CC2 107282214 573473267 /nfs/dbraw/zinc/47/32/67/573473267.db2.gz XVYYTIWEPGURTL-LURJTMIESA-N 2 1 126.203 0.182 10 0 ACAEMP C[N@H+]1CC[C@H]([NH3+])C12CC2 107282214 573473270 /nfs/dbraw/zinc/47/32/70/573473270.db2.gz XVYYTIWEPGURTL-LURJTMIESA-N 2 1 126.203 0.182 10 0 ACAEMP [NH3+]C[C@H](CO)[NH2+]C1CCCCCC1 130130194 573473277 /nfs/dbraw/zinc/47/32/77/573473277.db2.gz JZRCPFDFPJVBJZ-SNVBAGLBSA-N 2 1 186.299 0.618 10 0 ACAEMP C[NH2+][C@H](C[C@@H]1C[N@@H+](C)CCN1)C(C)C 259100514 573473405 /nfs/dbraw/zinc/47/34/05/573473405.db2.gz AHARQHGHTAZOGT-GHMZBOCLSA-N 2 1 199.342 0.524 10 0 ACAEMP CC[N@H+](CC1CC1)[C@@H](C[NH3+])CO 130119064 573473427 /nfs/dbraw/zinc/47/34/27/573473427.db2.gz MHIJDRQVILWMSV-VIFPVBQESA-N 2 1 172.272 0.038 10 0 ACAEMP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])CO 130119064 573473430 /nfs/dbraw/zinc/47/34/30/573473430.db2.gz MHIJDRQVILWMSV-VIFPVBQESA-N 2 1 172.272 0.038 10 0 ACAEMP C[NH+](C)C[C@H](O)C[NH2+]CCC(F)F 308391220 573473511 /nfs/dbraw/zinc/47/35/11/573473511.db2.gz YJTPYYMAMUQMPW-SSDOTTSWSA-N 2 1 196.241 0.154 10 0 ACAEMP [NH3+]C[C@@H](CO)[NH+](CC1CC1)CC1CC1 130122333 573473873 /nfs/dbraw/zinc/47/38/73/573473873.db2.gz XHTNIJPLSPBTRN-NSHDSACASA-N 2 1 198.310 0.428 10 0 ACAEMP C[C@@H](O)C[C@H]1CCC[N@H+]1CCC(N)=[NH2+] 308585392 573474048 /nfs/dbraw/zinc/47/40/48/573474048.db2.gz LYTWQLRFTTXWMX-RKDXNWHRSA-N 2 1 199.298 0.548 10 0 ACAEMP C[NH2+][C@@H](C[C@H]1C[N@@H+](C)CCN1)C(C)C 259100518 573474144 /nfs/dbraw/zinc/47/41/44/573474144.db2.gz AHARQHGHTAZOGT-QWRGUYRKSA-N 2 1 199.342 0.524 10 0 ACAEMP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])CO 130119689 573474234 /nfs/dbraw/zinc/47/42/34/573474234.db2.gz MZVHJBNNUSABRH-MRVPVSSYSA-N 2 1 174.288 0.426 10 0 ACAEMP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])CO 130119689 573474239 /nfs/dbraw/zinc/47/42/39/573474239.db2.gz MZVHJBNNUSABRH-MRVPVSSYSA-N 2 1 174.288 0.426 10 0 ACAEMP CC[N@H+](CC1CC1)[C@H](C[NH3+])CO 130119238 573474348 /nfs/dbraw/zinc/47/43/48/573474348.db2.gz MHIJDRQVILWMSV-SECBINFHSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[N@@H+](CC1CC1)[C@H](C[NH3+])CO 130119238 573474352 /nfs/dbraw/zinc/47/43/52/573474352.db2.gz MHIJDRQVILWMSV-SECBINFHSA-N 2 1 172.272 0.038 10 0 ACAEMP CC[NH2+][C@@H](C)CN(C)[C@@H]1CC[N@@H+](C)C1 308594230 573474614 /nfs/dbraw/zinc/47/46/14/573474614.db2.gz XMXNZJFKQGJKAO-WDEREUQCSA-N 2 1 199.342 0.620 10 0 ACAEMP C[N@H+]1CCC[C@H]1[C@H](F)CC[NH3+] 107282154 573474644 /nfs/dbraw/zinc/47/46/44/573474644.db2.gz MSFAQDCGULUULY-SFYZADRCSA-N 2 1 160.236 0.768 10 0 ACAEMP C[NH2+]CC[NH2+]CCC1CCOCC1 258668363 573474785 /nfs/dbraw/zinc/47/47/85/573474785.db2.gz CJNHWNUGSKDBHJ-UHFFFAOYSA-N 2 1 186.299 0.612 10 0 ACAEMP CC[NH2+][C@H](C)CN(C)[C@H]1CC[N@@H+](C)C1 308594228 573474890 /nfs/dbraw/zinc/47/48/90/573474890.db2.gz XMXNZJFKQGJKAO-MNOVXSKESA-N 2 1 199.342 0.620 10 0 ACAEMP C[N@@H+]1CC[C@H](F)C12CC[NH2+]CC2 107282260 573475225 /nfs/dbraw/zinc/47/52/25/573475225.db2.gz KIUWZZWIHYMKLY-QMMMGPOBSA-N 2 1 172.247 0.782 10 0 ACAEMP C[N@H+]1CC[C@H](F)C12CC[NH2+]CC2 107282260 573475229 /nfs/dbraw/zinc/47/52/29/573475229.db2.gz KIUWZZWIHYMKLY-QMMMGPOBSA-N 2 1 172.247 0.782 10 0 ACAEMP Cc1ccc([C@H]([NH3+])[C@@H](N)CO)cc1C 259464878 573475423 /nfs/dbraw/zinc/47/54/23/573475423.db2.gz OUHJKWBOIUSEFN-QWRGUYRKSA-N 2 1 194.278 0.623 10 0 ACAEMP Cc1ccc([C@@H]([NH3+])[C@H](N)CO)cc1C 259464871 573479183 /nfs/dbraw/zinc/47/91/83/573479183.db2.gz OUHJKWBOIUSEFN-GHMZBOCLSA-N 2 1 194.278 0.623 10 0 ACAEMP C[C@@H]([NH3+])C[C@H]1CCC[N@H+]1CCN(C)C 308596473 573479220 /nfs/dbraw/zinc/47/92/20/573479220.db2.gz SBSQCPQXGAOPMZ-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP C[C@@H]([NH3+])C[C@H]1CCCN1CC[NH+](C)C 308596473 573479225 /nfs/dbraw/zinc/47/92/25/573479225.db2.gz SBSQCPQXGAOPMZ-GHMZBOCLSA-N 2 1 199.342 0.750 10 0 ACAEMP Cc1ccc([C@H]([NH3+])[C@H](N)CO)cc1C 259464875 573479778 /nfs/dbraw/zinc/47/97/78/573479778.db2.gz OUHJKWBOIUSEFN-MNOVXSKESA-N 2 1 194.278 0.623 10 0 ACAEMP CN1CC[C@@H]([N@@H+](C)CCCCC[NH3+])C1 308596340 573479790 /nfs/dbraw/zinc/47/97/90/573479790.db2.gz YVXJEWISMKEYQC-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP C[C@H]([NH3+])C[C@@H]1CCC[N@H+]1CCN(C)C 308596475 573479957 /nfs/dbraw/zinc/47/99/57/573479957.db2.gz SBSQCPQXGAOPMZ-QWRGUYRKSA-N 2 1 199.342 0.750 10 0 ACAEMP CN[C@H]([C@H]1CC[N@@H+](C)C1)C1(C[NH3+])CC1 259469941 573479899 /nfs/dbraw/zinc/47/98/99/573479899.db2.gz QAONRPLLUCUDGJ-VHSXEESVSA-N 2 1 197.326 0.265 10 0 ACAEMP C[NH2+][C@H]([C@H]1CC[N@H+](C)C1)C1(C[NH3+])CC1 259469941 573479902 /nfs/dbraw/zinc/47/99/02/573479902.db2.gz QAONRPLLUCUDGJ-VHSXEESVSA-N 3 1 197.326 0.265 10 0 ACAEMP C[NH2+][C@H]([C@H]1CC[N@@H+](C)C1)C1(C[NH3+])CC1 259469941 573479907 /nfs/dbraw/zinc/47/99/07/573479907.db2.gz QAONRPLLUCUDGJ-VHSXEESVSA-N 3 1 197.326 0.265 10 0 ACAEMP C[NH2+][C@]1(C[NH3+])CCC[C@@H]1C 83392670 573479946 /nfs/dbraw/zinc/47/99/46/573479946.db2.gz HETIRBZZUOLZTP-YUMQZZPRSA-N 2 1 142.246 0.723 10 0 ACAEMP CC(C)C[C@@H]([NH3+])[C@H]1C[NH2+]CCO1 259469892 573485347 /nfs/dbraw/zinc/48/53/47/573485347.db2.gz PCRYABSUMXCTPF-RKDXNWHRSA-N 2 1 172.272 0.348 10 0 ACAEMP CC[N@@H+]1CC[C@H]([C@H]2[NH2+]C[C@@H](C)O2)C1 258678367 573485452 /nfs/dbraw/zinc/48/54/52/573485452.db2.gz TVFZSCUPDPYFCX-UTLUCORTSA-N 2 1 184.283 0.663 10 0 ACAEMP CC[N@H+]1CC[C@H]([C@H]2[NH2+]C[C@@H](C)O2)C1 258678367 573485459 /nfs/dbraw/zinc/48/54/59/573485459.db2.gz TVFZSCUPDPYFCX-UTLUCORTSA-N 2 1 184.283 0.663 10 0 ACAEMP C[NH2+][C@H](C1CC([NH3+])C1)[C@@H]1CC[N@@H+](C)C1 259471841 573485666 /nfs/dbraw/zinc/48/56/66/573485666.db2.gz QBYVVVVIPVIPDN-SFXRXQKFSA-N 3 1 197.326 0.263 10 0 ACAEMP C[NH2+][C@H](C1CC([NH3+])C1)[C@@H]1CCN(C)C1 259471841 573485673 /nfs/dbraw/zinc/48/56/73/573485673.db2.gz QBYVVVVIPVIPDN-SFXRXQKFSA-N 2 1 197.326 0.263 10 0 ACAEMP C[NH+]1CC[C@H](CC[N@@H+](C)CCC[NH3+])C1 258675667 573485825 /nfs/dbraw/zinc/48/58/25/573485825.db2.gz DFXIRILVFNPHEB-NSHDSACASA-N 3 1 199.342 0.609 10 0 ACAEMP CC(C)[C@H]1CCC[N@H+]1[C@@H](CN)CO 130146235 573485827 /nfs/dbraw/zinc/48/58/27/573485827.db2.gz SQVMOVBLWYVVHT-VHSXEESVSA-N 2 1 186.299 0.426 10 0 ACAEMP C[NH+](CCC[NH3+])CC[C@H]1CC[N@H+](C)C1 258675667 573485831 /nfs/dbraw/zinc/48/58/31/573485831.db2.gz DFXIRILVFNPHEB-NSHDSACASA-N 3 1 199.342 0.609 10 0 ACAEMP CC(C)[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])CO 130146235 573485833 /nfs/dbraw/zinc/48/58/33/573485833.db2.gz SQVMOVBLWYVVHT-VHSXEESVSA-N 2 1 186.299 0.426 10 0 ACAEMP C[NH+](CCC[NH3+])CC[C@H]1CC[N@@H+](C)C1 258675667 573485835 /nfs/dbraw/zinc/48/58/35/573485835.db2.gz DFXIRILVFNPHEB-NSHDSACASA-N 3 1 199.342 0.609 10 0 ACAEMP CC(C)[C@H]1CCC[N@H+]1[C@@H](C[NH3+])CO 130146235 573485838 /nfs/dbraw/zinc/48/58/38/573485838.db2.gz SQVMOVBLWYVVHT-VHSXEESVSA-N 2 1 186.299 0.426 10 0 ACAEMP C[NH+]1CC[C@@H](CC[N@@H+](C)CCC[NH3+])C1 258675663 573485886 /nfs/dbraw/zinc/48/58/86/573485886.db2.gz DFXIRILVFNPHEB-LLVKDONJSA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH+](CCC[NH3+])CC[C@@H]1CC[N@H+](C)C1 258675663 573485893 /nfs/dbraw/zinc/48/58/93/573485893.db2.gz DFXIRILVFNPHEB-LLVKDONJSA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH+](CCC[NH3+])CC[C@@H]1CC[N@@H+](C)C1 258675663 573485896 /nfs/dbraw/zinc/48/58/96/573485896.db2.gz DFXIRILVFNPHEB-LLVKDONJSA-N 3 1 199.342 0.609 10 0 ACAEMP CC(C)C[C@@H]([NH3+])[C@@H]1C[NH2+]CCO1 259469887 573486098 /nfs/dbraw/zinc/48/60/98/573486098.db2.gz PCRYABSUMXCTPF-BDAKNGLRSA-N 2 1 172.272 0.348 10 0 ACAEMP C[NH2+][C@@H](C1CC([NH3+])C1)[C@H]1CC[N@@H+](C)C1 259471835 573486204 /nfs/dbraw/zinc/48/62/04/573486204.db2.gz QBYVVVVIPVIPDN-IDWGSYCQSA-N 3 1 197.326 0.263 10 0 ACAEMP C[NH2+][C@@H](C1CC([NH3+])C1)[C@H]1CCN(C)C1 259471835 573486209 /nfs/dbraw/zinc/48/62/09/573486209.db2.gz QBYVVVVIPVIPDN-IDWGSYCQSA-N 2 1 197.326 0.263 10 0 ACAEMP CC[C@@H](C)C[N@@H+](CC)[C@@H](CN)CO 130150522 573486506 /nfs/dbraw/zinc/48/65/06/573486506.db2.gz CGEYNHZQIBUDPJ-ZJUUUORDSA-N 2 1 188.315 0.674 10 0 ACAEMP CC[C@@H](C)C[N@H+](CC)[C@@H](C[NH3+])CO 130150522 573486510 /nfs/dbraw/zinc/48/65/10/573486510.db2.gz CGEYNHZQIBUDPJ-ZJUUUORDSA-N 2 1 188.315 0.674 10 0 ACAEMP CN(C)CC[N@H+]1CC[C@H](C[NH3+])C1(C)C 259470591 573486603 /nfs/dbraw/zinc/48/66/03/573486603.db2.gz QTZUKLDEZFCBSS-SNVBAGLBSA-N 2 1 199.342 0.607 10 0 ACAEMP C[NH+](C)CCN1CC[C@H](C[NH3+])C1(C)C 259470591 573486609 /nfs/dbraw/zinc/48/66/09/573486609.db2.gz QTZUKLDEZFCBSS-SNVBAGLBSA-N 2 1 199.342 0.607 10 0 ACAEMP C[N@H+]1CC[C@H](N[C@@H]2C[NH2+]C(C)(C)C2)C1 258679751 573490767 /nfs/dbraw/zinc/49/07/67/573490767.db2.gz CSMKUSKBTQKPHU-UWVGGRQHSA-N 2 1 197.326 0.421 10 0 ACAEMP CCN(C)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 83419368 573490784 /nfs/dbraw/zinc/49/07/84/573490784.db2.gz BGNZJUWFCGYFMK-LLVKDONJSA-N 2 1 199.342 0.751 10 0 ACAEMP C[N@H+]1CCC[C@H](NCC[NH3+])CC1 83418296 573490940 /nfs/dbraw/zinc/49/09/40/573490940.db2.gz YKMJDLSDUKKNTE-VIFPVBQESA-N 2 1 171.288 0.019 10 0 ACAEMP CC1(C)CC[N@H+]1C[C@H]1OCC[C@@H]1C[NH3+] 715298144 573490947 /nfs/dbraw/zinc/49/09/47/573490947.db2.gz ARPSONBDCYDTQV-NXEZZACHSA-N 2 1 198.310 0.835 10 0 ACAEMP C[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](C)CC1 83418085 573491048 /nfs/dbraw/zinc/49/10/48/573491048.db2.gz SOHMTVWASYXIJY-VHSXEESVSA-N 2 1 186.299 0.441 10 0 ACAEMP CN[C@]1(C[NH3+])CCC[N@@H+](C)CC1 83419447 573491198 /nfs/dbraw/zinc/49/11/98/573491198.db2.gz AMKJVMMGCCSACE-SECBINFHSA-N 2 1 171.288 0.019 10 0 ACAEMP CCC[C@@H](C[C@H]1C[N@@H+](C)CCN1)[NH2+]C 259474940 573491222 /nfs/dbraw/zinc/49/12/22/573491222.db2.gz QIISTAODKVVUIG-QWRGUYRKSA-N 2 1 199.342 0.668 10 0 ACAEMP CC(C)N[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 83419470 573491324 /nfs/dbraw/zinc/49/13/24/573491324.db2.gz DMNJBBBRVCPXBX-NSHDSACASA-N 2 1 199.342 0.798 10 0 ACAEMP C[C@@H]([NH2+]CCF)C1C[NH2+]C1 686245366 573491355 /nfs/dbraw/zinc/49/13/55/573491355.db2.gz TYZAZXRIBJSPGA-ZCFIWIBFSA-N 2 1 146.209 0.153 10 0 ACAEMP CC[C@H]([NH3+])C[C@H]1COCC[NH2+]1 259472791 573494039 /nfs/dbraw/zinc/49/40/39/573494039.db2.gz PFSCOLAWCASOBX-YUMQZZPRSA-N 2 1 158.245 0.102 10 0 ACAEMP C[NH+](C)CC1=CC[N@@H+](C)CC1 258044284 573494254 /nfs/dbraw/zinc/49/42/54/573494254.db2.gz KVJNOAGVTFPDNL-UHFFFAOYSA-N 2 1 154.257 0.810 10 0 ACAEMP C[C@@H]([NH3+])[C@H]1CCc2c[nH+]cn2C1 107309691 573494314 /nfs/dbraw/zinc/49/43/14/573494314.db2.gz KFGQWDSTQPCFAX-SFYZADRCSA-N 2 1 165.240 0.793 10 0 ACAEMP C[NH2+]C(C)(C)[C@@H](N)[C@@H]1CCC[N@@H+](C)C1 259108202 573494357 /nfs/dbraw/zinc/49/43/57/573494357.db2.gz BJDDXGUQIWRNOS-ZJUUUORDSA-N 2 1 199.342 0.654 10 0 ACAEMP C[C@H]([NH2+]CCF)C1C[NH2+]C1 686245365 573494504 /nfs/dbraw/zinc/49/45/04/573494504.db2.gz TYZAZXRIBJSPGA-LURJTMIESA-N 2 1 146.209 0.153 10 0 ACAEMP C[C@H]([NH3+])CCN(C)[C@H]1CC[N@@H+](C)C1 258692470 573494556 /nfs/dbraw/zinc/49/45/56/573494556.db2.gz FYCPLFKEEVLGCK-UWVGGRQHSA-N 2 1 185.315 0.360 10 0 ACAEMP CC(C)CC[NH2+]C[C@H]1C[NH2+]CCN1C 258695227 573494573 /nfs/dbraw/zinc/49/45/73/573494573.db2.gz QSYXRSMTNRGYNE-NSHDSACASA-N 2 1 199.342 0.526 10 0 ACAEMP CC[C@@H](C)C[N@H+](CC[NH3+])CCO 308394259 573494598 /nfs/dbraw/zinc/49/45/98/573494598.db2.gz CJEDYJQSUQSSPA-SECBINFHSA-N 2 1 174.288 0.286 10 0 ACAEMP CC[C@@H](C)C[N@@H+](CC[NH3+])CCO 308394259 573494603 /nfs/dbraw/zinc/49/46/03/573494603.db2.gz CJEDYJQSUQSSPA-SECBINFHSA-N 2 1 174.288 0.286 10 0 ACAEMP C[C@@H]([NH3+])[C@@H]1CCn2c[nH+]cc2C1 107309431 573494609 /nfs/dbraw/zinc/49/46/09/573494609.db2.gz YYDXRQXPXDQTJG-HTQZYQBOSA-N 2 1 165.240 0.793 10 0 ACAEMP C[NH+](C)CCC[NH2+]C[C@@H]1CC[NH2+]C1 258697572 573499888 /nfs/dbraw/zinc/49/98/88/573499888.db2.gz JSUAIZVJQLQAIS-JTQLQIEISA-N 3 1 185.315 0.137 10 0 ACAEMP COCC[N@@H+]1C[C@H]([NH3+])CC1(C)C 259478536 573499989 /nfs/dbraw/zinc/49/99/89/573499989.db2.gz REWIVGHMPGKHJC-MRVPVSSYSA-N 2 1 172.272 0.444 10 0 ACAEMP CO[C@H](C)Cn1c[nH+]cc1[C@@H](C)C[NH3+] 308609162 573499992 /nfs/dbraw/zinc/49/99/92/573499992.db2.gz KTCZLVCPOWHVKM-DTWKUNHWSA-N 2 1 197.282 0.980 10 0 ACAEMP COCC[N@H+]1C[C@H]([NH3+])CC1(C)C 259478536 573499994 /nfs/dbraw/zinc/49/99/94/573499994.db2.gz REWIVGHMPGKHJC-MRVPVSSYSA-N 2 1 172.272 0.444 10 0 ACAEMP C[C@@H]1CC[N@@H+](C[C@@H]2OCC[C@H]2C[NH3+])C1 715299572 573500007 /nfs/dbraw/zinc/50/00/07/573500007.db2.gz GPSULKCBXGXJSM-VWYCJHECSA-N 2 1 198.310 0.692 10 0 ACAEMP [NH3+]CC[C@@H]1CCc2[nH+]ccn2C1 107311645 573500286 /nfs/dbraw/zinc/50/02/86/573500286.db2.gz DJZQNKDEXDXNMK-QMMMGPOBSA-N 2 1 165.240 0.794 10 0 ACAEMP CO[C@H](C)[C@@H]([NH3+])c1c[nH+]ccc1N 86576201 573500330 /nfs/dbraw/zinc/50/03/30/573500330.db2.gz WFSALKLJFFXQOW-HZGVNTEJSA-N 2 1 181.239 0.699 10 0 ACAEMP CN(CC[NH3+])CC[C@H]1CCC[N@@H+](C)C1 258702285 573500374 /nfs/dbraw/zinc/50/03/74/573500374.db2.gz GXEALXFKHLBSLQ-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP C[NH+]1CCC[C@H](CC[N@H+](C)CCN)C1 258702285 573500381 /nfs/dbraw/zinc/50/03/81/573500381.db2.gz GXEALXFKHLBSLQ-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP C[NH+]1CCC[C@H](CC[N@@H+](C)CCN)C1 258702285 573500386 /nfs/dbraw/zinc/50/03/86/573500386.db2.gz GXEALXFKHLBSLQ-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP C[NH+](CCN)CC[C@H]1CCC[N@H+](C)C1 258702285 573500391 /nfs/dbraw/zinc/50/03/91/573500391.db2.gz GXEALXFKHLBSLQ-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP C[NH+](CCN)CC[C@H]1CCC[N@@H+](C)C1 258702285 573500395 /nfs/dbraw/zinc/50/03/95/573500395.db2.gz GXEALXFKHLBSLQ-LLVKDONJSA-N 2 1 199.342 0.609 10 0 ACAEMP C[NH+]1CCC[C@H](CC[N@H+](C)CC[NH3+])C1 258702285 573500399 /nfs/dbraw/zinc/50/03/99/573500399.db2.gz GXEALXFKHLBSLQ-LLVKDONJSA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH2+]C[C@H]1CCCc2[nH+]ccn21 107312176 573500403 /nfs/dbraw/zinc/50/04/03/573500403.db2.gz BUWKWGKZIPPFTD-MRVPVSSYSA-N 2 1 165.240 0.980 10 0 ACAEMP C[NH+]1CCC[C@H](CC[N@@H+](C)CC[NH3+])C1 258702285 573500405 /nfs/dbraw/zinc/50/04/05/573500405.db2.gz GXEALXFKHLBSLQ-LLVKDONJSA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH+](CC[NH3+])CC[C@H]1CCC[N@H+](C)C1 258702285 573500411 /nfs/dbraw/zinc/50/04/11/573500411.db2.gz GXEALXFKHLBSLQ-LLVKDONJSA-N 3 1 199.342 0.609 10 0 ACAEMP C[NH+](CC[NH3+])CC[C@H]1CCC[N@@H+](C)C1 258702285 573500416 /nfs/dbraw/zinc/50/04/16/573500416.db2.gz GXEALXFKHLBSLQ-LLVKDONJSA-N 3 1 199.342 0.609 10 0 ACAEMP C[N@@H+]1CC[C@@H]([C@@H](CO)[NH2+]C2CC2)C1 259475886 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308813545 573550138 /nfs/dbraw/zinc/55/01/38/573550138.db2.gz DILUBOWLYSADCG-POYBYMJQSA-N 2 1 198.270 0.615 10 0 ACAEMP C[NH2+]CCC[N@H+]1CC[C@H]1C 86662961 573554793 /nfs/dbraw/zinc/55/47/93/573554793.db2.gz OUGMMMZWNMOKKX-MRVPVSSYSA-N 2 1 142.246 0.690 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H]([NH3+])CC(C)(C)[NH3+])C1 259505898 573554796 /nfs/dbraw/zinc/55/47/96/573554796.db2.gz UUNCZDUTWNKWSD-VHSXEESVSA-N 3 1 199.342 0.783 10 0 ACAEMP C[N@@H+]1CCC[C@H]([C@H](N)CC(C)(C)[NH3+])C1 259505898 573554805 /nfs/dbraw/zinc/55/48/05/573554805.db2.gz UUNCZDUTWNKWSD-VHSXEESVSA-N 2 1 199.342 0.783 10 0 ACAEMP C[N@H+]1CCC[C@H]([C@H](N)CC(C)(C)[NH3+])C1 259505898 573554813 /nfs/dbraw/zinc/55/48/13/573554813.db2.gz UUNCZDUTWNKWSD-VHSXEESVSA-N 2 1 199.342 0.783 10 0 ACAEMP C[C@@H]1CC[N@H+]1C1CC([NH3+])C1 86662780 573554880 /nfs/dbraw/zinc/55/48/80/573554880.db2.gz TZQCOJKQWSWEBA-JECWYVHBSA-N 2 1 140.230 0.570 10 0 ACAEMP C[C@@H]1[NH2+]CCN[C@@H]1[C@@H]1CCC[N@@H+](C)C1 259122783 573555148 /nfs/dbraw/zinc/55/51/48/573555148.db2.gz IVRZVZDCJGFHRT-AXFHLTTASA-N 2 1 197.326 0.278 10 0 ACAEMP C[N@H+]1CC[C@@H](CC[NH2+]CC2(N)CC2)C1 259120116 573555180 /nfs/dbraw/zinc/55/51/80/573555180.db2.gz PVJDJTYEDNCDOJ-SNVBAGLBSA-N 2 1 197.326 0.409 10 0 ACAEMP C[N@@H+]1CC[C@@H](CC[NH2+]CC2([NH3+])CC2)C1 259120116 573555186 /nfs/dbraw/zinc/55/51/86/573555186.db2.gz PVJDJTYEDNCDOJ-SNVBAGLBSA-N 3 1 197.326 0.409 10 0 ACAEMP C[N@H+]1CC[C@@H](CC[NH2+]CC2([NH3+])CC2)C1 259120116 573555194 /nfs/dbraw/zinc/55/51/94/573555194.db2.gz PVJDJTYEDNCDOJ-SNVBAGLBSA-N 3 1 197.326 0.409 10 0 ACAEMP C[NH2+]C[C@H](C1CCOCC1)[NH+](C)C 259121783 573555363 /nfs/dbraw/zinc/55/53/63/573555363.db2.gz RUHKGGFUZORSHH-SNVBAGLBSA-N 2 1 186.299 0.563 10 0 ACAEMP CC[C@@H](C[NH3+])[N@@H+]1CC[C@@H]1C 86679638 573560012 /nfs/dbraw/zinc/56/00/12/573560012.db2.gz LZEIZYMWKPGWKC-YUMQZZPRSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[C@@H](C[NH3+])[N@H+]1CC[C@@H]1C 86679638 573560015 /nfs/dbraw/zinc/56/00/15/573560015.db2.gz LZEIZYMWKPGWKC-YUMQZZPRSA-N 2 1 142.246 0.818 10 0 ACAEMP C[C@H]1CC[N@@H+]1C(C)(C)C[NH3+] 86678100 573560261 /nfs/dbraw/zinc/56/02/61/573560261.db2.gz CKVJRISQKOZYBE-ZETCQYMHSA-N 2 1 142.246 0.818 10 0 ACAEMP C[C@H]1CC[N@H+]1C(C)(C)C[NH3+] 86678100 573560267 /nfs/dbraw/zinc/56/02/67/573560267.db2.gz CKVJRISQKOZYBE-ZETCQYMHSA-N 2 1 142.246 0.818 10 0 ACAEMP CC[C@H](C[NH3+])[NH+]1CC(C)C1 86679632 573560330 /nfs/dbraw/zinc/56/03/30/573560330.db2.gz YYCOIRTVTWXQIM-MRVPVSSYSA-N 2 1 142.246 0.675 10 0 ACAEMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]1C 86678822 573560342 /nfs/dbraw/zinc/56/03/42/573560342.db2.gz LACPSDALLPHMOU-RNFRBKRXSA-N 2 1 128.219 0.428 10 0 ACAEMP C[C@@H]([NH3+])C[N@H+]1CC[C@H]1C 86678822 573560348 /nfs/dbraw/zinc/56/03/48/573560348.db2.gz LACPSDALLPHMOU-RNFRBKRXSA-N 2 1 128.219 0.428 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@H]([NH3+])CC(C)(C)[NH3+])C1 259508742 573560360 /nfs/dbraw/zinc/56/03/60/573560360.db2.gz UXQJHARDKCAEIL-RKDXNWHRSA-N 3 1 185.315 0.393 10 0 ACAEMP C[N@@H+]1CC[C@@H]([C@H](N)CC(C)(C)[NH3+])C1 259508742 573560367 /nfs/dbraw/zinc/56/03/67/573560367.db2.gz UXQJHARDKCAEIL-RKDXNWHRSA-N 2 1 185.315 0.393 10 0 ACAEMP C[N@H+]1CC[C@@H]([C@H](N)CC(C)(C)[NH3+])C1 259508742 573560376 /nfs/dbraw/zinc/56/03/76/573560376.db2.gz UXQJHARDKCAEIL-RKDXNWHRSA-N 2 1 185.315 0.393 10 0 ACAEMP CNc1cc(NCC[C@H](C)[NH3+])nc[nH+]1 258777498 573560486 /nfs/dbraw/zinc/56/04/86/573560486.db2.gz ZGRUYJOSUBBTMY-ZETCQYMHSA-N 2 1 195.270 0.668 10 0 ACAEMP CNc1cc(NCC[C@H](C)[NH3+])[nH+]cn1 258777498 573560490 /nfs/dbraw/zinc/56/04/90/573560490.db2.gz ZGRUYJOSUBBTMY-ZETCQYMHSA-N 2 1 195.270 0.668 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H]([NH3+])CC(C)(C)[NH3+])C1 259508740 573560555 /nfs/dbraw/zinc/56/05/55/573560555.db2.gz UXQJHARDKCAEIL-DTWKUNHWSA-N 3 1 185.315 0.393 10 0 ACAEMP C[N@@H+]1CC[C@H]([C@H](N)CC(C)(C)[NH3+])C1 259508740 573560559 /nfs/dbraw/zinc/56/05/59/573560559.db2.gz UXQJHARDKCAEIL-DTWKUNHWSA-N 2 1 185.315 0.393 10 0 ACAEMP C[N@H+]1CC[C@H]([C@H](N)CC(C)(C)[NH3+])C1 259508740 573560568 /nfs/dbraw/zinc/56/05/68/573560568.db2.gz UXQJHARDKCAEIL-DTWKUNHWSA-N 2 1 185.315 0.393 10 0 ACAEMP C[N@H+]1CC[C@@H]([NH3+])C2(CCC2)C1 107398837 573565343 /nfs/dbraw/zinc/56/53/43/573565343.db2.gz SZUHNMMGMOCPJV-MRVPVSSYSA-N 2 1 154.257 0.820 10 0 ACAEMP CCCC[NH2+]C[C@H]1C[NH2+]CCN1C 258781832 573565524 /nfs/dbraw/zinc/56/55/24/573565524.db2.gz ZWENYWMYFHNYNH-JTQLQIEISA-N 2 1 185.315 0.280 10 0 ACAEMP C[NH2+]CCCNC[C@H]1CCC[N@@H+](C)C1 258778163 573565622 /nfs/dbraw/zinc/56/56/22/573565622.db2.gz OWPSMFRTIKLWTO-LLVKDONJSA-N 3 1 199.342 0.527 10 0 ACAEMP C[NH2+]CCC[NH2+]C[C@H]1CCC[N@H+](C)C1 258778163 573565623 /nfs/dbraw/zinc/56/56/23/573565623.db2.gz OWPSMFRTIKLWTO-LLVKDONJSA-N 3 1 199.342 0.527 10 0 ACAEMP C[NH2+]CCC[NH2+]C[C@H]1CCC[N@@H+](C)C1 258778163 573565626 /nfs/dbraw/zinc/56/56/26/573565626.db2.gz OWPSMFRTIKLWTO-LLVKDONJSA-N 3 1 199.342 0.527 10 0 ACAEMP CC(C)[NH2+][C@H]1[C@H]2OCC[C@@H]2[C@H]1[NH3+] 86680289 573565763 /nfs/dbraw/zinc/56/57/63/573565763.db2.gz LJDUBDDZMZIQFM-BGZDPUMWSA-N 2 1 170.256 0.099 10 0 ACAEMP C[C@@H]1CC[NH2+][C@H]2NCCC[C@@H]12 238432197 573565956 /nfs/dbraw/zinc/56/59/56/573565956.db2.gz HQQRGWWHLYYYJM-HRDYMLBCSA-N 2 1 154.257 0.942 10 0 ACAEMP C[N@H+]1CC[C@@H](CNCC(C)(C)C[NH3+])C1 258778159 573568340 /nfs/dbraw/zinc/56/83/40/573568340.db2.gz OWLXGABGJOIWGG-JTQLQIEISA-N 3 1 199.342 0.513 10 0 ACAEMP C[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)C[NH3+])C1 258778159 573568351 /nfs/dbraw/zinc/56/83/51/573568351.db2.gz OWLXGABGJOIWGG-JTQLQIEISA-N 3 1 199.342 0.513 10 0 ACAEMP C[NH2+]C1(CCO)C[C@@H]2CC[C@H](C1)[N@H+]2C 83617173 573568410 /nfs/dbraw/zinc/56/84/10/573568410.db2.gz VHXNVRQETNSTAS-ZACCUICWSA-N 2 1 198.310 0.584 10 0 ACAEMP CCCC[NH2+]C[C@@H]1C[NH2+]CCN1C 258781835 573568605 /nfs/dbraw/zinc/56/86/05/573568605.db2.gz ZWENYWMYFHNYNH-SNVBAGLBSA-N 2 1 185.315 0.280 10 0 ACAEMP CC(C)[NH2+][C@H]1[C@H]2OCCC[C@@H]2[C@H]1[NH3+] 86680439 573568730 /nfs/dbraw/zinc/56/87/30/573568730.db2.gz FWWVMDWHAVVGTE-KYXWUPHJSA-N 2 1 184.283 0.489 10 0 ACAEMP C[NH2+][C@]1(CCO)CCC[N@@H+](C)CC1 83617150 573568912 /nfs/dbraw/zinc/56/89/12/573568912.db2.gz MWQREHGEZZUNFF-SNVBAGLBSA-N 2 1 186.299 0.443 10 0 ACAEMP [NH3+]Cc1c2c(nn1C1CC1)C[NH2+]C2 257832356 573568999 /nfs/dbraw/zinc/56/89/99/573568999.db2.gz KAOWZQFKYFCYCR-UHFFFAOYSA-N 2 1 178.239 0.280 10 0 ACAEMP CC[C@@H]([NH3+])C[N@H+]1CC=CCC1 75423209 573570029 /nfs/dbraw/zinc/57/00/29/573570029.db2.gz DNLTZJYJVAZBAP-SECBINFHSA-N 2 1 154.257 0.986 10 0 ACAEMP CC[C@@H]([NH3+])C[N@@H+]1CC=CCC1 75423209 573570035 /nfs/dbraw/zinc/57/00/35/573570035.db2.gz DNLTZJYJVAZBAP-SECBINFHSA-N 2 1 154.257 0.986 10 0 ACAEMP C[N@H+]1CC[C@H](CC[NH2+]CCCC[NH3+])C1 258778986 573570388 /nfs/dbraw/zinc/57/03/88/573570388.db2.gz BFDFCMAHKRRXRS-NSHDSACASA-N 3 1 199.342 0.657 10 0 ACAEMP CC[NH2+]CCCNCc1[nH]ncc1C 308625755 573570410 /nfs/dbraw/zinc/57/04/10/573570410.db2.gz WAUBWDCWCOUUBB-UHFFFAOYSA-N 2 1 196.298 0.807 10 0 ACAEMP CNc1cc(N(C)C[C@H](C)[NH3+])nc[nH+]1 258783891 573573301 /nfs/dbraw/zinc/57/33/01/573573301.db2.gz RQXUJBLGNFXJTP-ZETCQYMHSA-N 2 1 195.270 0.302 10 0 ACAEMP C1C[C@@H]2C[C@]3(CC[NH2+]C3)C[N@H+]2C1 107403178 573573312 /nfs/dbraw/zinc/57/33/12/573573312.db2.gz NRODXTDYNISAED-ZJUUUORDSA-N 2 1 166.268 0.834 10 0 ACAEMP C[N@@H+]1CCC[C@@H]1NC[C@H]1CCC[NH2+]C1 257832476 573573563 /nfs/dbraw/zinc/57/35/63/573573563.db2.gz JURWFMDIPSOXRX-WDEREUQCSA-N 2 1 197.326 0.627 10 0 ACAEMP C[N@H+]1CCC[C@@H]1NC[C@H]1CCC[NH2+]C1 257832476 573573570 /nfs/dbraw/zinc/57/35/70/573573570.db2.gz JURWFMDIPSOXRX-WDEREUQCSA-N 2 1 197.326 0.627 10 0 ACAEMP CC[NH+](CC)[C@H](C[NH3+])CC(=O)OC 257829740 573573644 /nfs/dbraw/zinc/57/36/44/573573644.db2.gz IVCSQVPBANLASC-QMMMGPOBSA-N 2 1 188.271 0.219 10 0 ACAEMP C[N@H+]1CCC[C@H]1[C@@H](C[NH3+])N1CCCC1 214913192 573577056 /nfs/dbraw/zinc/57/70/56/573577056.db2.gz MASBQKZVQSZHNX-WDEREUQCSA-N 2 1 197.326 0.504 10 0 ACAEMP CC[N@H+]1CCC[C@H](N2CC([NH3+])C2)CC1 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/nfs/dbraw/zinc/58/41/62/573584162.db2.gz XZUMQWDCJUDSFA-BBBLOLIVSA-N 2 1 184.283 0.663 10 0 ACAEMP C[C@@H]1CO[C@@](C)([C@@H]2CC[N@@H+](C)C2)[NH2+]1 258799226 573584169 /nfs/dbraw/zinc/58/41/69/573584169.db2.gz XZUMQWDCJUDSFA-BBBLOLIVSA-N 2 1 184.283 0.663 10 0 ACAEMP CC1(C)CO[C@H](C[C@@H]2CCC[NH2+]2)[NH2+]1 258799283 573586081 /nfs/dbraw/zinc/58/60/81/573586081.db2.gz YAOVMMGDMMHRCS-DTWKUNHWSA-N 2 1 184.283 0.853 10 0 ACAEMP Cc1oc(C[NH3+])nc1[C@@H]1CC[NH2+]C1 259519168 573586368 /nfs/dbraw/zinc/58/63/68/573586368.db2.gz AEORQGKURZJZBK-SSDOTTSWSA-N 2 1 181.239 0.519 10 0 ACAEMP CC1(C)CO[C@@H](C[C@H]2CCC[NH2+]2)[NH2+]1 258799276 573586454 /nfs/dbraw/zinc/58/64/54/573586454.db2.gz YAOVMMGDMMHRCS-BDAKNGLRSA-N 2 1 184.283 0.853 10 0 ACAEMP C[C@H]1[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)N1CC[NH3+] 238441640 573586491 /nfs/dbraw/zinc/58/64/91/573586491.db2.gz JKTDWZPWLUATFI-CKIJPRSSSA-N 2 1 199.342 0.747 10 0 ACAEMP OCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 308639669 573586520 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VTIIHJKTGANOBS-SECBINFHSA-N 2 1 154.257 0.820 10 0 ACAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])C[C@H]2CC[NH2+]C2)C1 259558445 573696893 /nfs/dbraw/zinc/69/68/93/573696893.db2.gz XWKGIECRSODZIB-VWYCJHECSA-N 3 1 197.326 0.265 10 0 ACAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(N)=[NH2+] 86930117 573696934 /nfs/dbraw/zinc/69/69/34/573696934.db2.gz VFKPZRNODQQDAZ-RKDXNWHRSA-N 2 1 196.298 0.438 10 0 ACAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(N)=[NH2+] 86930117 573696939 /nfs/dbraw/zinc/69/69/39/573696939.db2.gz VFKPZRNODQQDAZ-RKDXNWHRSA-N 2 1 196.298 0.438 10 0 ACAEMP CN(CCCF)C[C@H]1C[NH2+]CCO1 126848044 573697027 /nfs/dbraw/zinc/69/70/27/573697027.db2.gz OVKQGANFXQUWTJ-SECBINFHSA-N 2 1 190.262 0.266 10 0 ACAEMP CC(C)[NH2+]C[C@H](N)[C@@H]1CCC[N@@H+](C)C1 259168553 573697095 /nfs/dbraw/zinc/69/70/95/573697095.db2.gz DVIZTONFVCTGAC-MNOVXSKESA-N 2 1 199.342 0.654 10 0 ACAEMP CC(C)[NH2+]C[C@H](N)[C@H]1CCC[N@@H+](C)C1 259168558 573697155 /nfs/dbraw/zinc/69/71/55/573697155.db2.gz DVIZTONFVCTGAC-QWRGUYRKSA-N 2 1 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NBJBVCQMTRCPMG-KPPDAEKUSA-N 2 1 198.310 0.441 10 0 ACAEMP CC1(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CCCO1 259219611 573884092 /nfs/dbraw/zinc/88/40/92/573884092.db2.gz CXDGBWFCLUNGRX-UWVGGRQHSA-N 2 1 198.310 0.977 10 0 ACAEMP CC1(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]1CCCO1 259219611 573884098 /nfs/dbraw/zinc/88/40/98/573884098.db2.gz CXDGBWFCLUNGRX-UWVGGRQHSA-N 2 1 198.310 0.977 10 0 ACAEMP CN(C)CC[NH2+]C[C@H]1CCC[NH2+]C1 41203286 573884260 /nfs/dbraw/zinc/88/42/60/573884260.db2.gz QHVUTPZQBFUCKR-JTQLQIEISA-N 2 1 185.315 0.137 10 0 ACAEMP C[C@@H](C1C[NH2+]C1)[NH+]1CC(C)(C)C1 686255902 573884432 /nfs/dbraw/zinc/88/44/32/573884432.db2.gz UVUZDIHLDIVTPU-QMMMGPOBSA-N 2 1 168.284 0.936 10 0 ACAEMP C[NH2+][C@H](c1cccnc1)[C@@H]1CC[NH2+]C1 259220220 573884601 /nfs/dbraw/zinc/88/46/01/573884601.db2.gz GBWHJMPQZXHKJL-GHMZBOCLSA-N 2 1 191.278 0.952 10 0 ACAEMP N[C@H]1CC[C@H](C[NH3+])CCC[C@H]1[NH3+] 238560704 573884641 /nfs/dbraw/zinc/88/46/41/573884641.db2.gz QCCVCIMOSZBYIV-HLTSFMKQSA-N 2 1 171.288 0.180 10 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