smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 36996757 537806318 /nfs/dbraw/zinc/80/63/18/537806318.db2.gz AGRQQIRXYYUIBV-QJPTWQEYSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 36996757 537806326 /nfs/dbraw/zinc/80/63/26/537806326.db2.gz AGRQQIRXYYUIBV-QJPTWQEYSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 36996759 537806801 /nfs/dbraw/zinc/80/68/01/537806801.db2.gz AGRQQIRXYYUIBV-SDDRHHMPSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 36996759 537806805 /nfs/dbraw/zinc/80/68/05/537806805.db2.gz AGRQQIRXYYUIBV-SDDRHHMPSA-N 2 1 196.338 2.001 10 0 AEAEMP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 37484168 537814439 /nfs/dbraw/zinc/81/44/39/537814439.db2.gz HISKCEKMFDWWPD-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 37484169 537814969 /nfs/dbraw/zinc/81/49/69/537814969.db2.gz HISKCEKMFDWWPD-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C 37477270 537814999 /nfs/dbraw/zinc/81/49/99/537814999.db2.gz CBUISVBHWRVBFG-RYUDHWBXSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 37484171 537815242 /nfs/dbraw/zinc/81/52/42/537815242.db2.gz HISKCEKMFDWWPD-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC(CC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 37484237 537815361 /nfs/dbraw/zinc/81/53/61/537815361.db2.gz RRVJLTPCTWPKDG-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C 37477271 537815622 /nfs/dbraw/zinc/81/56/22/537815622.db2.gz CBUISVBHWRVBFG-VXGBXAGGSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[N@H+](CC)CC[NH2+][C@@H](C)CC 37479939 537815975 /nfs/dbraw/zinc/81/59/75/537815975.db2.gz HSIORXYGZACPJK-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)CC 37479939 537815980 /nfs/dbraw/zinc/81/59/80/537815980.db2.gz HSIORXYGZACPJK-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CC[N@@H+](CCC[NH2+]C1CC1)CC(C)C 37478572 537816011 /nfs/dbraw/zinc/81/60/11/537816011.db2.gz HPVWRETUAWJYOI-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[N@@H+](CC)CC[NH2+][C@H](C)CC 37479940 537816943 /nfs/dbraw/zinc/81/69/43/537816943.db2.gz HSIORXYGZACPJK-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[N@H+](CC)CC[NH2+][C@H](C)CC 37479940 537816939 /nfs/dbraw/zinc/81/69/39/537816939.db2.gz HSIORXYGZACPJK-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 37478470 537817374 /nfs/dbraw/zinc/81/73/74/537817374.db2.gz ZMYSVWCQNIBWDO-LLVKDONJSA-N 2 1 196.338 2.003 10 0 AEAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 37478471 537817722 /nfs/dbraw/zinc/81/77/22/537817722.db2.gz ZMYSVWCQNIBWDO-NSHDSACASA-N 2 1 196.338 2.003 10 0 AEAEMP CCC(CC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 37484236 537817761 /nfs/dbraw/zinc/81/77/61/537817761.db2.gz RRVJLTPCTWPKDG-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 37484170 537818133 /nfs/dbraw/zinc/81/81/33/537818133.db2.gz HISKCEKMFDWWPD-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C 37914186 537822485 /nfs/dbraw/zinc/82/24/85/537822485.db2.gz XMGHAFVLVSXFHX-NEPJUHHUSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C 37914185 537827058 /nfs/dbraw/zinc/82/70/58/537827058.db2.gz XMGHAFVLVSXFHX-VXGBXAGGSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@H](C)[NH2+][C@H]1C[C@H]2CCCC[N@@H+]2C1 725241746 537888323 /nfs/dbraw/zinc/88/83/23/537888323.db2.gz OQQQXHDOJJQBCT-SDDRHHMPSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H](C)[NH2+][C@H]1C[C@H]2CCCC[N@H+]2C1 725241746 537888328 /nfs/dbraw/zinc/88/83/28/537888328.db2.gz OQQQXHDOJJQBCT-SDDRHHMPSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[N@H+]2C1 725241748 537889014 /nfs/dbraw/zinc/88/90/14/537889014.db2.gz OQQQXHDOJJQBCT-TUAOUCFPSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[N@@H+]2C1 725241748 537889008 /nfs/dbraw/zinc/88/90/08/537889008.db2.gz OQQQXHDOJJQBCT-TUAOUCFPSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H](C)[NH2+][C@@H]1C[C@H]2CCCC[N@@H+]2C1 725241745 537889980 /nfs/dbraw/zinc/88/99/80/537889980.db2.gz OQQQXHDOJJQBCT-QJPTWQEYSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H](C)[NH2+][C@@H]1C[C@H]2CCCC[N@H+]2C1 725241745 537889985 /nfs/dbraw/zinc/88/99/85/537889985.db2.gz OQQQXHDOJJQBCT-QJPTWQEYSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H](C)[NH2+][C@H]1C[C@@H]2CCCC[N@@H+]2C1 725241747 537890198 /nfs/dbraw/zinc/89/01/98/537890198.db2.gz OQQQXHDOJJQBCT-SRVKXCTJSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H](C)[NH2+][C@H]1C[C@@H]2CCCC[N@H+]2C1 725241747 537890206 /nfs/dbraw/zinc/89/02/06/537890206.db2.gz OQQQXHDOJJQBCT-SRVKXCTJSA-N 2 1 196.338 2.001 10 0 AEAEMP CCCC[NH2+][C@@H]1C[C@H]2CCCC[N@H+]2C1 725241888 537890921 /nfs/dbraw/zinc/89/09/21/537890921.db2.gz VKSWFQQBMZYAHO-VXGBXAGGSA-N 2 1 196.338 2.003 10 0 AEAEMP CCCC[NH2+][C@H]1C[C@H]2CCCC[N@H+]2C1 725241886 537891373 /nfs/dbraw/zinc/89/13/73/537891373.db2.gz VKSWFQQBMZYAHO-NWDGAFQWSA-N 2 1 196.338 2.003 10 0 AEAEMP CCCC[NH2+][C@H]1C[C@@H]2CCCC[N@H+]2C1 725241887 537893147 /nfs/dbraw/zinc/89/31/47/537893147.db2.gz VKSWFQQBMZYAHO-RYUDHWBXSA-N 2 1 196.338 2.003 10 0 AEAEMP CCCC[NH2+][C@@H]1C[C@@H]2CCCC[N@H+]2C1 725241885 537893343 /nfs/dbraw/zinc/89/33/43/537893343.db2.gz VKSWFQQBMZYAHO-NEPJUHHUSA-N 2 1 196.338 2.003 10 0 AEAEMP CCCC[N@H+]1CCCCC[NH2+]CCC1 725262302 537929474 /nfs/dbraw/zinc/92/94/74/537929474.db2.gz QLTGTZRYDKXPMS-UHFFFAOYSA-N 2 1 198.354 2.252 10 0 AEAEMP CCC[N@H+]1CCCCCC[NH2+]CCC1 725262299 537929394 /nfs/dbraw/zinc/92/93/94/537929394.db2.gz PUKKCLCLLIWCRT-UHFFFAOYSA-N 2 1 198.354 2.252 10 0 AEAEMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)C1CC1 165255041 538149361 /nfs/dbraw/zinc/14/93/61/538149361.db2.gz RQRCZQHKLJMWDT-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)C1CC1 165254917 538149960 /nfs/dbraw/zinc/14/99/60/538149960.db2.gz RQRCZQHKLJMWDT-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)C1CC1 165254670 538151242 /nfs/dbraw/zinc/15/12/42/538151242.db2.gz RQRCZQHKLJMWDT-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)C1CC1 165254789 538151983 /nfs/dbraw/zinc/15/19/83/538151983.db2.gz RQRCZQHKLJMWDT-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 232584911 538228022 /nfs/dbraw/zinc/22/80/22/538228022.db2.gz FAZBFHNXHMGLDM-NEPJUHHUSA-N 2 1 198.354 2.153 10 0 AEAEMP CC(C)C[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 232585642 538229217 /nfs/dbraw/zinc/22/92/17/538229217.db2.gz FAZBFHNXHMGLDM-VXGBXAGGSA-N 2 1 198.354 2.153 10 0 AEAEMP CC(C)C[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 232624238 538229650 /nfs/dbraw/zinc/22/96/50/538229650.db2.gz FAZBFHNXHMGLDM-NWDGAFQWSA-N 2 1 198.354 2.153 10 0 AEAEMP CC(C)C[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 232623450 538230050 /nfs/dbraw/zinc/23/00/50/538230050.db2.gz FAZBFHNXHMGLDM-RYUDHWBXSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC)C1 249871230 538256426 /nfs/dbraw/zinc/25/64/26/538256426.db2.gz CQAGQJNTVZOOMZ-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC)C1 249871229 538256610 /nfs/dbraw/zinc/25/66/10/538256610.db2.gz CQAGQJNTVZOOMZ-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[N@@H+](CC(C)C)[C@@H]1CC[NH2+][C@H](C)C1 252969436 538282589 /nfs/dbraw/zinc/28/25/89/538282589.db2.gz ZCRKHPCZLAXKOD-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@@H+](CC(C)C)[C@H]1CC[NH2+][C@H](C)C1 252969434 538285026 /nfs/dbraw/zinc/28/50/26/538285026.db2.gz ZCRKHPCZLAXKOD-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 306298598 538302438 /nfs/dbraw/zinc/30/24/38/538302438.db2.gz DHLXYDVTZLYHAI-NNYUYHANSA-N 2 1 198.354 2.007 10 0 AEAEMP CC(C)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 306298596 538302661 /nfs/dbraw/zinc/30/26/61/538302661.db2.gz DHLXYDVTZLYHAI-FIQHERPVSA-N 2 1 198.354 2.007 10 0 AEAEMP CCC[N@@H+](CC)C[C@@H]1CCCC[NH2+]C1 669378821 538445224 /nfs/dbraw/zinc/44/52/24/538445224.db2.gz OOZCWHLYFAFNTJ-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC[N@@H+](CC)C[C@H]1CCCC[NH2+]C1 669378822 538445310 /nfs/dbraw/zinc/44/53/10/538445310.db2.gz OOZCWHLYFAFNTJ-LBPRGKRZSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC[N@@H+](CC)[C@@H]1CCC[C@H](C[NH3+])C1 675053191 538448032 /nfs/dbraw/zinc/44/80/32/538448032.db2.gz FWGDPJYJIYLIMD-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[N@@H+](CC)[C@H]1CCC[C@H](C[NH3+])C1 675053193 538448148 /nfs/dbraw/zinc/44/81/48/538448148.db2.gz FWGDPJYJIYLIMD-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[N@@H+](CC)[C@H]1CCC[C@@H](C[NH3+])C1 675053181 538448154 /nfs/dbraw/zinc/44/81/54/538448154.db2.gz FWGDPJYJIYLIMD-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[N@@H+](CC)[C@@H]1CCC[C@@H](C[NH3+])C1 675053196 538448405 /nfs/dbraw/zinc/44/84/05/538448405.db2.gz FWGDPJYJIYLIMD-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C 216273383 541316713 /nfs/dbraw/zinc/31/67/13/541316713.db2.gz XMGHAFVLVSXFHX-RYUDHWBXSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C 216273337 541316933 /nfs/dbraw/zinc/31/69/33/541316933.db2.gz XMGHAFVLVSXFHX-NWDGAFQWSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[N@H+](CC(C)C)[C@H]1CC[C@@H](C)NC1 219954265 541317985 /nfs/dbraw/zinc/31/79/85/541317985.db2.gz FATXMBWRZRMFHK-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@H+](CC(C)C)[C@@H]1CC[C@@H](C)NC1 219954198 541318443 /nfs/dbraw/zinc/31/84/43/541318443.db2.gz FATXMBWRZRMFHK-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@H+]1CC[C@@H]([NH3+])C12CCCCCC2 606271691 541347045 /nfs/dbraw/zinc/34/70/45/541347045.db2.gz KDABVTOCNPHZFS-LLVKDONJSA-N 2 1 196.338 2.132 10 0 AEAEMP CCC[N@H+]1CC[C@H]([NH3+])C12CCCCC2 606271706 541347108 /nfs/dbraw/zinc/34/71/08/541347108.db2.gz LEJKPFUOQHINHD-NSHDSACASA-N 2 1 196.338 2.132 10 0 AEAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CCCCC2 606271680 541347392 /nfs/dbraw/zinc/34/73/92/541347392.db2.gz JHYLWDDOPHMPRN-LLVKDONJSA-N 2 1 196.338 2.131 10 0 AEAEMP CCC[N@H+]1CC[C@@H]([NH3+])C12CCCCC2 606271705 541347538 /nfs/dbraw/zinc/34/75/38/541347538.db2.gz LEJKPFUOQHINHD-LLVKDONJSA-N 2 1 196.338 2.132 10 0 AEAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C12CCCCC2 606271681 541347695 /nfs/dbraw/zinc/34/76/95/541347695.db2.gz JHYLWDDOPHMPRN-NSHDSACASA-N 2 1 196.338 2.131 10 0 AEAEMP CC[N@H+]1CC[C@H]([NH3+])C12CCCCCC2 606271692 541347739 /nfs/dbraw/zinc/34/77/39/541347739.db2.gz KDABVTOCNPHZFS-NSHDSACASA-N 2 1 196.338 2.132 10 0 AEAEMP CC(C)[N@H+](C)C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 669381376 541348768 /nfs/dbraw/zinc/34/87/68/541348768.db2.gz HIPGPBDHCQHFJS-WOPDTQHZSA-N 2 1 198.354 2.103 10 0 AEAEMP CC(C)[N@@H+](C)C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 669381376 541348771 /nfs/dbraw/zinc/34/87/71/541348771.db2.gz HIPGPBDHCQHFJS-WOPDTQHZSA-N 2 1 198.354 2.103 10 0 AEAEMP CC(C)[N@H+](C)C[C@H]1C[C@H](C)C[C@H](C)[NH2+]1 669381373 541349326 /nfs/dbraw/zinc/34/93/26/541349326.db2.gz HIPGPBDHCQHFJS-GRYCIOLGSA-N 2 1 198.354 2.103 10 0 AEAEMP CC(C)[N@@H+](C)C[C@H]1C[C@H](C)C[C@H](C)[NH2+]1 669381373 541349332 /nfs/dbraw/zinc/34/93/32/541349332.db2.gz HIPGPBDHCQHFJS-GRYCIOLGSA-N 2 1 198.354 2.103 10 0 AEAEMP CCC[N@H+](C)C[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 669381458 541349406 /nfs/dbraw/zinc/34/94/06/541349406.db2.gz KGEJIWLZQOQLPL-UTUOFQBUSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@@H+](C)C[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 669381458 541349410 /nfs/dbraw/zinc/34/94/10/541349410.db2.gz KGEJIWLZQOQLPL-UTUOFQBUSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@H+](C)C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 669381459 541349269 /nfs/dbraw/zinc/34/92/69/541349269.db2.gz KGEJIWLZQOQLPL-WOPDTQHZSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@@H+](C)C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 669381459 541349272 /nfs/dbraw/zinc/34/92/72/541349272.db2.gz KGEJIWLZQOQLPL-WOPDTQHZSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@H+](C)C[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 669381456 541349510 /nfs/dbraw/zinc/34/95/10/541349510.db2.gz KGEJIWLZQOQLPL-SRVKXCTJSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@@H+](C)C[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 669381456 541349516 /nfs/dbraw/zinc/34/95/16/541349516.db2.gz KGEJIWLZQOQLPL-SRVKXCTJSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[N@H+](C)C[C@H]1C[C@H](C)C[C@@H](C)[NH2+]1 669381374 541349768 /nfs/dbraw/zinc/34/97/68/541349768.db2.gz HIPGPBDHCQHFJS-IJLUTSLNSA-N 2 1 198.354 2.103 10 0 AEAEMP CC(C)[N@@H+](C)C[C@H]1C[C@H](C)C[C@@H](C)[NH2+]1 669381374 541349775 /nfs/dbraw/zinc/34/97/75/541349775.db2.gz HIPGPBDHCQHFJS-IJLUTSLNSA-N 2 1 198.354 2.103 10 0 AEAEMP CCC[N@H+](C)C[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 669381457 541349953 /nfs/dbraw/zinc/34/99/53/541349953.db2.gz KGEJIWLZQOQLPL-TUAOUCFPSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@@H+](C)C[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 669381457 541349957 /nfs/dbraw/zinc/34/99/57/541349957.db2.gz KGEJIWLZQOQLPL-TUAOUCFPSA-N 2 1 198.354 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2.233 10 0 AEAEMP CCC[N@@H+](CC)CC[C@H]1CCC[C@@H]1[NH3+] 86531311 572950356 /nfs/dbraw/zinc/95/03/56/572950356.db2.gz RSEJISMAXMFDOT-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[N@@H+](C)CC[C@H]1CCC[C@@H]1[NH2+]C 86531352 572950376 /nfs/dbraw/zinc/95/03/76/572950376.db2.gz ZSOXLFPKEIQNGG-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@@H+](C)CC[C@H]1CCC[C@@H]1[NH3+] 86531106 572950399 /nfs/dbraw/zinc/95/03/99/572950399.db2.gz YHJSQQPOASGVFX-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCc1c[nH+]cn1[C@@H](C)CCC[NH3+] 308473082 573006077 /nfs/dbraw/zinc/00/60/77/573006077.db2.gz JIBPOUGYUGCGKP-JTQLQIEISA-N 2 1 195.310 2.136 10 0 AEAEMP CCC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238252981 573013084 /nfs/dbraw/zinc/01/30/84/573013084.db2.gz BWOYOCAHAXWTMR-YFKTTZPYSA-N 2 1 196.338 2.129 10 0 AEAEMP CC[C@]1(C[C@H]2CCC[N@H+]2C)CCC[NH2+]1 258225861 573016255 /nfs/dbraw/zinc/01/62/55/573016255.db2.gz PFBIEVOQRQFLBV-VXGBXAGGSA-N 2 1 196.338 2.003 10 0 AEAEMP C[N@H+]1CC[C@@H]([NH2+]C2(C)CC2)CC1(C)C 1118855499 757720283 /nfs/dbraw/zinc/72/02/83/757720283.db2.gz IISQJXJAJDIXPZ-SNVBAGLBSA-N 2 1 196.338 2.001 10 0 AEAEMP C[N@H+]1CC[C@H]([NH2+]C2(C)CC2)CC1(C)C 1118855491 757723033 /nfs/dbraw/zinc/72/30/33/757723033.db2.gz IISQJXJAJDIXPZ-JTQLQIEISA-N 2 1 196.338 2.001 10 0 AEAEMP CC[N@H+]1CCCC[C@@H]1/C=C\CC[NH2+]C 258227804 573023128 /nfs/dbraw/zinc/02/31/28/573023128.db2.gz PFWGNHNOMHUGCQ-LDJOOVGUSA-N 2 1 196.338 2.027 10 0 AEAEMP CCCC[N@@H+](C)CC[C@@H]([NH3+])CCC 128542464 573061342 /nfs/dbraw/zinc/06/13/42/573061342.db2.gz RQGAGPHEGHAJEK-NSHDSACASA-N 2 1 186.343 2.236 10 0 AEAEMP CCC[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)CC 128556666 573070634 /nfs/dbraw/zinc/07/06/34/573070634.db2.gz HFDWDKYHLNTXMO-WDEREUQCSA-N 2 1 186.343 2.234 10 0 AEAEMP CCCC[NH2+]CC[C@H]1CCCC[N@H+]1C 49750726 573083859 /nfs/dbraw/zinc/08/38/59/573083859.db2.gz WUNGUTXUIVDNTL-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP C[N@@H+](C1CCCC1)[C@@H]1CCC[NH2+]CC1 82666655 573150643 /nfs/dbraw/zinc/15/06/43/573150643.db2.gz IDLIHEFVJHIZRI-GFCCVEGCSA-N 2 1 196.338 2.003 10 0 AEAEMP C[NH2+]C[C@@H]1CC[N@@H+](C(C)(C)C)C1(C)C 259351252 573166550 /nfs/dbraw/zinc/16/65/50/573166550.db2.gz JSHQJMIFNYHJSM-JTQLQIEISA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C(C)(C)C1 259363236 573187088 /nfs/dbraw/zinc/18/70/88/573187088.db2.gz UPXGDTRLHAHHKR-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[N@@H+](CC(C)C)[C@H]1CC[C@@H]([NH3+])C1 308514816 573189101 /nfs/dbraw/zinc/18/91/01/573189101.db2.gz UNZNWNSNBKKVQZ-NEPJUHHUSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@@H](C)[N@H+]1CCC(C)(C)[C@@H]([NH2+]C)C1 259363094 573189159 /nfs/dbraw/zinc/18/91/59/573189159.db2.gz UMVGKFUHBGSETG-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C(C)(C)C1 259363233 573189352 /nfs/dbraw/zinc/18/93/52/573189352.db2.gz UPXGDTRLHAHHKR-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@H](C)[N@H+]1CCC(C)(C)[C@@H]([NH2+]C)C1 259363095 573192572 /nfs/dbraw/zinc/19/25/72/573192572.db2.gz UMVGKFUHBGSETG-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[C@@H](C)[C@@H](C[NH3+])[NH2+]C1CCCC1 308516143 573192637 /nfs/dbraw/zinc/19/26/37/573192637.db2.gz NPKYCMUKRUZQQY-ZYHUDNBSSA-N 2 1 198.354 2.138 10 0 AEAEMP CC1([NH2+]C[C@@H]2CCCC[NH2+]2)CCCC1 82785913 573194336 /nfs/dbraw/zinc/19/43/36/573194336.db2.gz SERRSNCIXKMVIH-NSHDSACASA-N 2 1 196.338 2.051 10 0 AEAEMP CC(C)[NH2+]C1(C[NH3+])C[C@H](C)C[C@@H](C)C1 82830929 573220692 /nfs/dbraw/zinc/22/06/92/573220692.db2.gz KMBRBPXKXVRVCW-GHMZBOCLSA-N 2 1 198.354 2.138 10 0 AEAEMP CCC[N@@H+](CC(C)C)[C@H](CC)C(N)=[NH2+] 308519424 573224149 /nfs/dbraw/zinc/22/41/49/573224149.db2.gz WUWOMANZLIZVHV-SNVBAGLBSA-N 2 1 199.342 2.069 10 0 AEAEMP CC[C@H]1CC[C@H](C[NH+](CC)CC)[NH2+]C1 393510488 573224339 /nfs/dbraw/zinc/22/43/39/573224339.db2.gz OBPDMFAODVXFOO-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)c1c[nH]c(C(C)(C)CC[NH3+])[nH+]1 259037835 573227604 /nfs/dbraw/zinc/22/76/04/573227604.db2.gz HESKCECBCQUAJQ-UHFFFAOYSA-N 2 1 195.310 2.160 10 0 AEAEMP C[C@@H](CCC[NH3+])[N@H+]1CC[C@@H](C)[C@@H](C)C1 132157535 573227625 /nfs/dbraw/zinc/22/76/25/573227625.db2.gz ZJBRTDNSXWPWAE-WOPDTQHZSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)C[NH2+]CC(C)(C)[NH+]1CCCC1 308520570 573229566 /nfs/dbraw/zinc/22/95/66/573229566.db2.gz ONCSKMQMNNMEJO-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C)[N@H+]1C[C@H](C)[C@](C)(C[NH3+])C1 308520732 573229743 /nfs/dbraw/zinc/22/97/43/573229743.db2.gz XRTRNEJRKMILTO-SDDRHHMPSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[NH2+][C@H](C[NH3+])C1CCC(C)(C)CC1 308526405 573235041 /nfs/dbraw/zinc/23/50/41/573235041.db2.gz PFYZSWOTMNXCHK-LLVKDONJSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[NH2+][C@@H](C[NH3+])C1CCC(C)(C)CC1 308526406 573235986 /nfs/dbraw/zinc/23/59/86/573235986.db2.gz PFYZSWOTMNXCHK-NSHDSACASA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)[NH2+][C@@]1(C[NH3+])C[C@H](C)CC[C@@H]1C 82860082 573239051 /nfs/dbraw/zinc/23/90/51/573239051.db2.gz PFTBDMFZODXGJW-GRYCIOLGSA-N 2 1 198.354 2.138 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](C)[NH3+] 308529179 573240794 /nfs/dbraw/zinc/24/07/94/573240794.db2.gz BVRIOGOMEFRCHJ-GRYCIOLGSA-N 2 1 198.354 2.377 10 0 AEAEMP CC(C)[NH2+][C@@]1(C[NH3+])CC[C@@H](C)C[C@H]1C 82860088 573240879 /nfs/dbraw/zinc/24/08/79/573240879.db2.gz JVFWVKRDSYCZNL-IJLUTSLNSA-N 2 1 198.354 2.138 10 0 AEAEMP CC(C)[NH2+][C@]1(C[NH3+])CCC[C@H](C)[C@H]1C 82860091 573241027 /nfs/dbraw/zinc/24/10/27/573241027.db2.gz WEIWVSGJGCCJRU-TUAOUCFPSA-N 2 1 198.354 2.138 10 0 AEAEMP CC(C)[NH2+][C@]1(C[NH3+])CC[C@@H](C)C[C@H]1C 82860086 573241412 /nfs/dbraw/zinc/24/14/12/573241412.db2.gz JVFWVKRDSYCZNL-UTUOFQBUSA-N 2 1 198.354 2.138 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](C)[NH3+] 308529180 573242236 /nfs/dbraw/zinc/24/22/36/573242236.db2.gz BVRIOGOMEFRCHJ-SDDRHHMPSA-N 2 1 198.354 2.377 10 0 AEAEMP C[C@H]([N@H+](C)[C@H](C)CC[NH3+])C(C)(C)C 42739466 573253840 /nfs/dbraw/zinc/25/38/40/573253840.db2.gz NHTJPXSAQNFMGP-ZJUUUORDSA-N 2 1 186.343 2.090 10 0 AEAEMP CC[N@H+](C)C[C@H]([NH3+])CC1CCCCC1 308530505 573253951 /nfs/dbraw/zinc/25/39/51/573253951.db2.gz KAGJBWLUCPUQLP-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@@H+](C)C[C@H]([NH3+])CC1CCCCC1 308530505 573253957 /nfs/dbraw/zinc/25/39/57/573253957.db2.gz KAGJBWLUCPUQLP-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@H]([N@@H+](C)CCCC(N)=[NH2+])C(C)(C)C 42767654 573256981 /nfs/dbraw/zinc/25/69/81/573256981.db2.gz YTFZXXFXARLWLX-VIFPVBQESA-N 2 1 199.342 2.069 10 0 AEAEMP CC[N@@H+](CC[C@H]([NH3+])C(C)C)C(C)C 129209655 573257926 /nfs/dbraw/zinc/25/79/26/573257926.db2.gz XHCXTYLEWQLWAW-NSHDSACASA-N 2 1 186.343 2.090 10 0 AEAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](C)[C@@H](C)C(C)(C)C 42782829 573259964 /nfs/dbraw/zinc/25/99/64/573259964.db2.gz YCILJYAFWOWQGJ-IUCAKERBSA-N 2 1 199.342 2.067 10 0 AEAEMP CC[C@H]1CCC[N@H+]1CC[C@H]([NH3+])C(C)C 129217825 573261201 /nfs/dbraw/zinc/26/12/01/573261201.db2.gz GYCSGODPBWAOKD-RYUDHWBXSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[N@@H+](CC[C@H]([NH3+])C(C)C)C1CC1 129211025 573261307 /nfs/dbraw/zinc/26/13/07/573261307.db2.gz AOLPCAFEBQPIPS-LBPRGKRZSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@]1(C[N@@H+]2CC[C@H]2C)CCC[NH2+]1 308532192 573270184 /nfs/dbraw/zinc/27/01/84/573270184.db2.gz LGNHWJGXDJHRDS-VXGBXAGGSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[C@]1(C[N@H+]2CC[C@H]2C)CCC[NH2+]1 308532192 573270189 /nfs/dbraw/zinc/27/01/89/573270189.db2.gz LGNHWJGXDJHRDS-VXGBXAGGSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[NH2+][C@@H](CC)C[NH+]1CCCCC1 50166409 573270739 /nfs/dbraw/zinc/27/07/39/573270739.db2.gz GMNZUDHQHPSXDQ-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[NH2+][C@H](CC)C[NH+]1CCCCC1 50166411 573270974 /nfs/dbraw/zinc/27/09/74/573270974.db2.gz GMNZUDHQHPSXDQ-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[N@@H+](CC(C)(C)C[NH3+])[C@H]1CC[C@H]1C 308535213 573273107 /nfs/dbraw/zinc/27/31/07/573273107.db2.gz MAHFGVUNLJZLMI-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[N@H+]1CCC(C)(C)[C@H](CC[NH3+])C1 259401555 573281258 /nfs/dbraw/zinc/28/12/58/573281258.db2.gz XSDYVLNOXWIZHE-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@@H]1CC=CCC1 308537629 573283618 /nfs/dbraw/zinc/28/36/18/573283618.db2.gz MTCDGDFYBIHKKL-NEPJUHHUSA-N 2 1 196.338 2.060 10 0 AEAEMP CCC[C@](C[NH3+])([NH2+][C@@H](C)CC)C1CC1 308537934 573283960 /nfs/dbraw/zinc/28/39/60/573283960.db2.gz LUVLEZBRHWWTRY-CMPLNLGQSA-N 2 1 198.354 2.282 10 0 AEAEMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)(C)C)C1 129408032 573284534 /nfs/dbraw/zinc/28/45/34/573284534.db2.gz LVAVESDXQFRZNU-MXWKQRLJSA-N 2 1 198.354 2.138 10 0 AEAEMP CC[C@@H]1CCC[N@@H+]1CC1(NC)CCC1 308538494 573284536 /nfs/dbraw/zinc/28/45/36/573284536.db2.gz SODZSABAJHZWGH-LLVKDONJSA-N 2 1 196.338 2.003 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1CC1(NC)CCC1 308538494 573284540 /nfs/dbraw/zinc/28/45/40/573284540.db2.gz SODZSABAJHZWGH-LLVKDONJSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@H]1CC=CCC1 308537630 573284702 /nfs/dbraw/zinc/28/47/02/573284702.db2.gz MTCDGDFYBIHKKL-RYUDHWBXSA-N 2 1 196.338 2.060 10 0 AEAEMP CC[C@@H](C)[C@@H]1C[N@H+](C(C)C)CCC[NH2+]1 82941173 573306305 /nfs/dbraw/zinc/30/63/05/573306305.db2.gz HSYIJBRJSNJJHM-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])CCC1(C)C 259409984 573305838 /nfs/dbraw/zinc/30/58/38/573305838.db2.gz MTWBLTGSSOILOY-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP C[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)CCC1CC1 393661147 573306100 /nfs/dbraw/zinc/30/61/00/573306100.db2.gz WOFRAIKWWCMDNM-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[C@@H]1CN(C(C)C)[C@H](C)CC[NH2+]1 82942265 573308043 /nfs/dbraw/zinc/30/80/43/573308043.db2.gz BKMWEIXUSWBKCI-NEPJUHHUSA-N 2 1 198.354 2.103 10 0 AEAEMP CC[C@]1(C)C[N@@H+](CC(C)C)CCCN1 82942095 573308067 /nfs/dbraw/zinc/30/80/67/573308067.db2.gz KROPYIYTOZGVED-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@H+]1CC(C)(C)NCC[C@@H]1C 82942948 573308191 /nfs/dbraw/zinc/30/81/91/573308191.db2.gz CDRHEOFZCIDSQV-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H]1C[N@@H+](C(C)C)[C@H](C)CCN1 82943083 573308256 /nfs/dbraw/zinc/30/82/56/573308256.db2.gz LQRGDMGURGSBKJ-VXGBXAGGSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[C@@H]1CN(C(C)C)[C@H](C)CC[NH2+]1 82943083 573308259 /nfs/dbraw/zinc/30/82/59/573308259.db2.gz LQRGDMGURGSBKJ-VXGBXAGGSA-N 2 1 198.354 2.247 10 0 AEAEMP C[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)CCC1CC1 393661146 573308388 /nfs/dbraw/zinc/30/83/88/573308388.db2.gz WOFRAIKWWCMDNM-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCN1CCC[NH2+]C(CC)(CC)C1 82942198 573309960 /nfs/dbraw/zinc/30/99/60/573309960.db2.gz XCCHWKYAUBWWAW-UHFFFAOYSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCN1C[C@H](C(C)C)[NH2+]CC[C@@H]1C 82942279 573310125 /nfs/dbraw/zinc/31/01/25/573310125.db2.gz UUIHSTWQPMEILQ-NWDGAFQWSA-N 2 1 198.354 2.105 10 0 AEAEMP C[NH2+]CCCC1=CC[N@H+](C(C)C)CC1 258255466 573310189 /nfs/dbraw/zinc/31/01/89/573310189.db2.gz YCWRTKLGSQXHFA-UHFFFAOYSA-N 2 1 196.338 2.027 10 0 AEAEMP CC[C@@]1(C)C[N@@H+](CC(C)C)CCCN1 82942097 573310248 /nfs/dbraw/zinc/31/02/48/573310248.db2.gz KROPYIYTOZGVED-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[C@H]1CN(C(C)C)[C@H](C)CC[NH2+]1 82942268 573310345 /nfs/dbraw/zinc/31/03/45/573310345.db2.gz BKMWEIXUSWBKCI-VXGBXAGGSA-N 2 1 198.354 2.103 10 0 AEAEMP CC(C)[N@H+]1CCC[NH2+]C2(CCCC2)C1 82941648 573314388 /nfs/dbraw/zinc/31/43/88/573314388.db2.gz BGVVVBBYKIZJHP-UHFFFAOYSA-N 2 1 196.338 2.003 10 0 AEAEMP CC(C)[NH2+]CCC[N@@H+](C)CCC1CC1 308550261 573328002 /nfs/dbraw/zinc/32/80/02/573328002.db2.gz XFFGZYKTDCSLKI-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@H](C)C[C@@](CC)(C[NH3+])[NH2+]C1CC1 50271084 573341562 /nfs/dbraw/zinc/34/15/62/573341562.db2.gz NFSDJBQHBBCFMS-PWSUYJOCSA-N 2 1 198.354 2.282 10 0 AEAEMP CCCCCC[C@H](C[NH3+])[NH2+]C(C)C 50270764 573341714 /nfs/dbraw/zinc/34/17/14/573341714.db2.gz GGBZBDJVRTXBCF-LLVKDONJSA-N 2 1 186.343 2.282 10 0 AEAEMP CC[C@H](C)C[C@](CC)(C[NH3+])[NH2+]C1CC1 50271087 573341804 /nfs/dbraw/zinc/34/18/04/573341804.db2.gz 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CC(C)[N@H+]1CC=C(CC[C@@H](C)[NH3+])CC1 258288505 573344990 /nfs/dbraw/zinc/34/49/90/573344990.db2.gz ZZHRTLHIGAELLZ-LLVKDONJSA-N 2 1 196.338 2.154 10 0 AEAEMP CC(C)CC[C@](C)(C[NH3+])[NH2+]C(C)C 50270936 573345880 /nfs/dbraw/zinc/34/58/80/573345880.db2.gz NDUBCPQHVPADNK-LLVKDONJSA-N 2 1 186.343 2.138 10 0 AEAEMP CC[C@H]1CCCCC[N@H+]1C/C=C\C[NH3+] 308358350 573346274 /nfs/dbraw/zinc/34/62/74/573346274.db2.gz ANHWZCFHRXUEGW-HWPRWLFBSA-N 2 1 196.338 2.156 10 0 AEAEMP CC(C)c1c[nH+]cn1[C@@H](C[NH3+])C(C)C 132902722 573351742 /nfs/dbraw/zinc/35/17/42/573351742.db2.gz FVZKXHKSRAWYLU-JTQLQIEISA-N 2 1 195.310 2.162 10 0 AEAEMP CCCCC[N@H+]1CCC(C)(C)[C@H](N)C1 259424702 573351764 /nfs/dbraw/zinc/35/17/64/573351764.db2.gz ZRIOZFFHAIELAC-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCCC[N@@H+]1CCC(C)(C)[C@H]([NH3+])C1 259424702 573351769 /nfs/dbraw/zinc/35/17/69/573351769.db2.gz ZRIOZFFHAIELAC-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@H](C[NH3+])n1c[nH+]cc1C(C)C 132902550 573351794 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CC[NH2+][C@@H]1CC[C@@H]([N@@H+](CC)C(C)C)C1 86618715 572966662 /nfs/dbraw/zinc/96/66/62/572966662.db2.gz JTQKYVSIMIPEJI-VXGBXAGGSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[NH2+][C@@H]1CC[C@@H]([N@@H+](C)C2CC2)C1 86618699 572966671 /nfs/dbraw/zinc/96/66/71/572966671.db2.gz RAKXDTCYPDQYTF-ZYHUDNBSSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[NH2+][C@@H]1CC[C@H]([N@@H+](CC)C2CC2)C1 86618685 572966712 /nfs/dbraw/zinc/96/67/12/572966712.db2.gz KKRJSCBGWZCUBL-PWSUYJOCSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[NH2+][C@H]1CC[C@@H]([N@@H+](CC)C2CC2)C1 86618688 572966718 /nfs/dbraw/zinc/96/67/18/572966718.db2.gz KKRJSCBGWZCUBL-CMPLNLGQSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[NH2+][C@H]1CC[C@@H]([N@@H+](CC)C(C)C)C1 86618716 572966741 /nfs/dbraw/zinc/96/67/41/572966741.db2.gz JTQKYVSIMIPEJI-NWDGAFQWSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[NH2+][C@@H]1CC[C@H]([N@@H+](C)CC(C)C)C1 86618771 572966772 /nfs/dbraw/zinc/96/67/72/572966772.db2.gz CWHZTKGTCUATPC-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@H]1CC[C@H]([N@@H+](C)CC(C)C)C1 86618772 572966805 /nfs/dbraw/zinc/96/68/05/572966805.db2.gz CWHZTKGTCUATPC-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@@H+](CC)[C@@H]1CC[C@H]([NH2+]CC)C1 86618739 572966822 /nfs/dbraw/zinc/96/68/22/572966822.db2.gz QTLLVACMKDWCCA-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@H]1CC[C@@H]([N@@H+](C)C(C)C)C1 86618437 572966872 /nfs/dbraw/zinc/96/68/72/572966872.db2.gz KFBIYEHXRYAMPU-NWDGAFQWSA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)(C)[NH2+][C@@H](C[NH3+])C1CCCCC1 257918685 572998848 /nfs/dbraw/zinc/99/88/48/572998848.db2.gz XVYXXAJEGRJRNG-NSHDSACASA-N 2 1 198.354 2.282 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87922378 573000280 /nfs/dbraw/zinc/00/02/80/573000280.db2.gz AGGQWLLVPSPTMH-IJLUTSLNSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCC[N@@H+](CCC(N)=[NH2+])[C@@H](C)CC 42607927 573014262 /nfs/dbraw/zinc/01/42/62/573014262.db2.gz LXBLRABSBCPDCC-JTQLQIEISA-N 2 1 199.342 2.213 10 0 AEAEMP CCCCC[NH2+][C@@H](C)C[NH+]1CCCC1 42597880 573014325 /nfs/dbraw/zinc/01/43/25/573014325.db2.gz VKODEHLFAMPDBR-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCCC[NH2+][C@H](C)C[NH+]1CCCC1 42597884 573014379 /nfs/dbraw/zinc/01/43/79/573014379.db2.gz VKODEHLFAMPDBR-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[C@H]1CC[N@@H+](CCC(C)C)CC[NH2+]1 49660901 573024708 /nfs/dbraw/zinc/02/47/08/573024708.db2.gz GHFJOMGUNIXIEI-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP [NH3+]Cc1ccc2[nH]c3cc[nH+]cc3c2c1 259313030 573024993 /nfs/dbraw/zinc/02/49/93/573024993.db2.gz GTVUCJULUUUQEI-UHFFFAOYSA-N 2 1 197.241 2.175 10 0 AEAEMP CCCCC[N@H+]1CCC[NH2+]C[C@H](C)C1 49663762 573028969 /nfs/dbraw/zinc/02/89/69/573028969.db2.gz YAUUIYLHPYLPOB-LBPRGKRZSA-N 2 1 198.354 2.108 10 0 AEAEMP CCCCC[N@H+]1CCC[NH2+]C[C@@H](C)C1 49663764 573030452 /nfs/dbraw/zinc/03/04/52/573030452.db2.gz YAUUIYLHPYLPOB-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[C@@H]1CC[C@@H](C)[N@H+](C[C@H](C)NC)C1 308487050 573051521 /nfs/dbraw/zinc/05/15/21/573051521.db2.gz 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2.093 10 0 AEAEMP CCCC[C@H](C)[N@@H+](C)CCC1C[NH2+]C1 308645603 573597935 /nfs/dbraw/zinc/59/79/35/573597935.db2.gz HEQZLVRONXNKTI-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH2+]C)C(C)(C)C1 259335026 573122300 /nfs/dbraw/zinc/12/23/00/573122300.db2.gz RWGYBGSWMOVDPR-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP C[C@@H]1CCC[N@H+]1CCC1([NH3+])CCCC1 82773010 573183019 /nfs/dbraw/zinc/18/30/19/573183019.db2.gz GCJROYAXGDSZLW-LLVKDONJSA-N 2 1 196.338 2.132 10 0 AEAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C1(C)CCCC1 82785574 573195638 /nfs/dbraw/zinc/19/56/38/573195638.db2.gz GXFCUBAZHPWCAA-MNOVXSKESA-N 2 1 196.338 2.131 10 0 AEAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C1(C)CCCC1 82785573 573195904 /nfs/dbraw/zinc/19/59/04/573195904.db2.gz GXFCUBAZHPWCAA-WDEREUQCSA-N 2 1 196.338 2.131 10 0 AEAEMP CC[NH2+][C@H]1CC[N@@H+](C2(C)CCCC2)C1 82785584 573196060 /nfs/dbraw/zinc/19/60/60/573196060.db2.gz SSHVQQMIWWOZGZ-NSHDSACASA-N 2 1 196.338 2.003 10 0 AEAEMP CC[NH2+][C@H]1CC[N@H+](C2(C)CCCC2)C1 82785584 573196066 /nfs/dbraw/zinc/19/60/66/573196066.db2.gz SSHVQQMIWWOZGZ-NSHDSACASA-N 2 1 196.338 2.003 10 0 AEAEMP CCCCCC[N@H+]1C[C@H]([NH3+])CC[C@@H]1C 40740140 573215379 /nfs/dbraw/zinc/21/53/79/573215379.db2.gz PHKXPPFHLWMQTQ-NWDGAFQWSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C 131847685 573216716 /nfs/dbraw/zinc/21/67/16/573216716.db2.gz MPBKTNWWNGAXIX-SDDRHHMPSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 131847685 573216720 /nfs/dbraw/zinc/21/67/20/573216720.db2.gz MPBKTNWWNGAXIX-SDDRHHMPSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H]1CC[C@@H](C[NH+](CC)CC)[NH2+]C1 393510492 573222524 /nfs/dbraw/zinc/22/25/24/573222524.db2.gz OBPDMFAODVXFOO-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@H]1CC[C@@H](C[NH+](CC)CC)[NH2+]C1 393510486 573222539 /nfs/dbraw/zinc/22/25/39/573222539.db2.gz OBPDMFAODVXFOO-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[N@H+]1CC[C@H](CC[NH3+])CC1(C)C 259389474 573236366 /nfs/dbraw/zinc/23/63/66/573236366.db2.gz LRISEGICRPBNBB-NSHDSACASA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](C)[NH3+] 308529182 573244398 /nfs/dbraw/zinc/24/43/98/573244398.db2.gz BVRIOGOMEFRCHJ-WOPDTQHZSA-N 2 1 198.354 2.377 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCC[C@H]1C[C@H](C)[NH3+] 308529181 573244481 /nfs/dbraw/zinc/24/44/81/573244481.db2.gz BVRIOGOMEFRCHJ-SRVKXCTJSA-N 2 1 198.354 2.377 10 0 AEAEMP CCC[N@@H+](CC)CC[C@@H]([NH3+])C(C)C 129210379 573258444 /nfs/dbraw/zinc/25/84/44/573258444.db2.gz NFCXSISZYCWXLE-LLVKDONJSA-N 2 1 186.343 2.092 10 0 AEAEMP CC[N@@H+](CC[C@@H]([NH3+])C(C)C)C(C)C 129209834 573258851 /nfs/dbraw/zinc/25/88/51/573258851.db2.gz XHCXTYLEWQLWAW-LLVKDONJSA-N 2 1 186.343 2.090 10 0 AEAEMP CCC[N@@H+](CC[C@@H]([NH3+])C(C)C)C1CC1 129211253 573258969 /nfs/dbraw/zinc/25/89/69/573258969.db2.gz AOLPCAFEBQPIPS-GFCCVEGCSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCCC[N@H+]1C[C@H]([NH2+]C)CC1(C)C 259397298 573258994 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CZUMTLKYOYKYSW-RNZFLTOJSA-N 2 1 196.338 2.027 10 0 AEAEMP CC[N@H+]1CCC[C@H]1CC1([NH3+])CCCC1 258049169 573504979 /nfs/dbraw/zinc/50/49/79/573504979.db2.gz OWTPBZNUSSYMEZ-NSHDSACASA-N 2 1 196.338 2.132 10 0 AEAEMP CC[NH2+][C@]1(C[NH3+])CCCC(C)(C)CC1 83436022 573505363 /nfs/dbraw/zinc/50/53/63/573505363.db2.gz RSVBPHTWQLBFER-GFCCVEGCSA-N 2 1 198.354 2.284 10 0 AEAEMP C[NH2+][C@@]1(C[NH3+])CCC[C@H](C(C)C)CC1 83437705 573506979 /nfs/dbraw/zinc/50/69/79/573506979.db2.gz NZWBJYNPKNOBMN-RYUDHWBXSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC[NH2+][C@@H]1CCC[C@H]([N@@H+](C)CC)C1 86599131 573507975 /nfs/dbraw/zinc/50/79/75/573507975.db2.gz RIDCULNURNPUSM-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](C)[C@H]1C 50564278 573514669 /nfs/dbraw/zinc/51/46/69/573514669.db2.gz WUQRODZSTIZDRE-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](C)[C@H]1C 50564278 573514672 /nfs/dbraw/zinc/51/46/72/573514672.db2.gz WUQRODZSTIZDRE-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 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CC(C)C[C@H](C)[N@@H+](C)[C@@H](C)CC(N)=[NH2+] 42584087 573976241 /nfs/dbraw/zinc/97/62/41/573976241.db2.gz IWVHFUVBMUBOKW-UWVGGRQHSA-N 2 1 199.342 2.067 10 0 AEAEMP CC(C)C[C@H](C)[N@@H+](C)CCCC[NH3+] 42562706 573978302 /nfs/dbraw/zinc/97/83/02/573978302.db2.gz KKUVTZLNPPOZJC-NSHDSACASA-N 2 1 186.343 2.092 10 0 AEAEMP C[N@H+]1CCC[C@@H](CC(C)(C)CC[NH3+])C1 259256784 573979620 /nfs/dbraw/zinc/97/96/20/573979620.db2.gz XBKOMJLRQJFTIW-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C)CC(N)=[NH2+] 42584084 573979718 /nfs/dbraw/zinc/97/97/18/573979718.db2.gz IWVHFUVBMUBOKW-ZJUUUORDSA-N 2 1 199.342 2.067 10 0 AEAEMP CC(C)C[N@@H+](C(C)C)C1CC[NH2+]CC1 42584379 573979733 /nfs/dbraw/zinc/97/97/33/573979733.db2.gz PVVVXKROXJRSCO-UHFFFAOYSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCC[N@@H+](CC[C@H]([NH3+])CC)C1CC1 127826607 573979736 /nfs/dbraw/zinc/97/97/36/573979736.db2.gz WTLBTHLUXSGIHS-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[C@H](CC[NH3+])[N@@H+](CC(C)C)C1CC1 42554570 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KEBCLULARBYQSB-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[N@@H+](CCC[C@H](C)[NH3+])CC(C)C 45599652 573986398 /nfs/dbraw/zinc/98/63/98/573986398.db2.gz SEHDXTOSHLJLLV-NSHDSACASA-N 2 1 186.343 2.092 10 0 AEAEMP CC[NH2+][C@H](C)CCCC[N@@H+](C)C1CC1 45599368 573986404 /nfs/dbraw/zinc/98/64/04/573986404.db2.gz OXQBTNASIBCWGD-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)C[N@@H+](C)CCCC[C@@H](C)[NH3+] 45599587 573986412 /nfs/dbraw/zinc/98/64/12/573986412.db2.gz ZGENZBSGXKFPPK-LLVKDONJSA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[N@@H+](C)CCC[C@H](C)[NH2+]CC 45599581 573986430 /nfs/dbraw/zinc/98/64/30/573986430.db2.gz VRVGENKOTWPAQM-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[NH2+][C@@H](C)CCC[N@@H+](C)CC 45599319 573986436 /nfs/dbraw/zinc/98/64/36/573986436.db2.gz COMOUENZKXFLDY-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CC[NH2+][C@@H](C)CCCC[N@@H+](C)CC 45599305 573986463 /nfs/dbraw/zinc/98/64/63/573986463.db2.gz KCCKFSBJUCWPNT-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP C[C@H]([NH3+])CCCC[N@@H+](C)C1CCCC1 45599447 573986521 /nfs/dbraw/zinc/98/65/21/573986521.db2.gz MYSKZNLNGXAKAS-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@H]1CCC[C@@H](C)[N@H+]1CCC[C@@H](C)[NH3+] 45598871 573987127 /nfs/dbraw/zinc/98/71/27/573987127.db2.gz GTTYLEUYNRVCGA-UTUOFQBUSA-N 2 1 198.354 2.377 10 0 AEAEMP CCC[N@@H+](CC)CCCC[C@H](C)[NH3+] 45599477 573987231 /nfs/dbraw/zinc/98/72/31/573987231.db2.gz HRIAXKWEAWVNDS-NSHDSACASA-N 2 1 186.343 2.236 10 0 AEAEMP CC[C@@H](C)C[N@@H+](C)CCC[C@@H](C)[NH3+] 45599735 573987399 /nfs/dbraw/zinc/98/73/99/573987399.db2.gz HYNQTHNSOZYQCA-GHMZBOCLSA-N 2 1 186.343 2.092 10 0 AEAEMP CC[N@@H+](CCC[C@H](C)[NH3+])C1CCCC1 45599825 573987457 /nfs/dbraw/zinc/98/74/57/573987457.db2.gz XYINDTQDBSOCAC-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[N@@H+](CC)CCC[C@@H](C)[NH2+]C 45599492 573987468 /nfs/dbraw/zinc/98/74/68/573987468.db2.gz HOAVELWSXAYQQS-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCCCC[N@@H+](C)CCC[C@@H](C)[NH3+] 45599707 573987560 /nfs/dbraw/zinc/98/75/60/573987560.db2.gz RUKUFQNLJXHRPI-LLVKDONJSA-N 2 1 186.343 2.236 10 0 AEAEMP CC[N@@H+](CCCC[C@@H](C)[NH2+]C)C1CC1 45599330 573987571 /nfs/dbraw/zinc/98/75/71/573987571.db2.gz WSEFIUURVAWHDB-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)[C@@H](C)[N@@H+](C)CCC[C@@H](C)[NH3+] 45600162 573987630 /nfs/dbraw/zinc/98/76/30/573987630.db2.gz SARLYPPZMUOLTO-GHMZBOCLSA-N 2 1 186.343 2.090 10 0 AEAEMP CC[C@H](C)[N@@H+](C)CCC[C@@H](C)[NH2+]C 45599640 573989511 /nfs/dbraw/zinc/98/95/11/573989511.db2.gz PEEIKJMKYIABHY-MNOVXSKESA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[N@@H+](CCC[C@H](C)[NH3+])CC1CC1 45602043 573989529 /nfs/dbraw/zinc/98/95/29/573989529.db2.gz CNSMAZZKJFIKNY-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[NH2+][C@@H](C)CCC[N@@H+](C)C1CC1 45599382 573989546 /nfs/dbraw/zinc/98/95/46/573989546.db2.gz JAFIUIBVHBDVFN-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP C[C@H]([NH3+])CCC[N@@H+](C)C1CCCCC1 45598838 573989563 /nfs/dbraw/zinc/98/95/63/573989563.db2.gz XRSKOLYCWUIWPE-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CC[N@@H+](CCC[C@@H](C)[NH3+])CC(C)C 45599650 573989568 /nfs/dbraw/zinc/98/95/68/573989568.db2.gz SEHDXTOSHLJLLV-LLVKDONJSA-N 2 1 186.343 2.092 10 0 AEAEMP CC(C)CC[N@@H+](C)CCC[C@@H](C)[NH3+] 45601589 573989603 /nfs/dbraw/zinc/98/96/03/573989603.db2.gz KZUFEOSQEMTEDH-LLVKDONJSA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CCC[C@@H](C)[NH3+] 45600254 573989626 /nfs/dbraw/zinc/98/96/26/573989626.db2.gz PMIFDOJTRVIYEH-GHMZBOCLSA-N 2 1 186.343 2.234 10 0 AEAEMP CC[C@@H](C)[N@@H+](C)CCC[C@@H](C)[NH2+]C 45599638 573989633 /nfs/dbraw/zinc/98/96/33/573989633.db2.gz PEEIKJMKYIABHY-GHMZBOCLSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CCC[C@@H](C)[NH3+] 45600256 573989638 /nfs/dbraw/zinc/98/96/38/573989638.db2.gz PMIFDOJTRVIYEH-MNOVXSKESA-N 2 1 186.343 2.234 10 0 AEAEMP CC[C@H]1CCC[N@H+]1CCCC[C@@H](C)[NH3+] 45600833 573989643 /nfs/dbraw/zinc/98/96/43/573989643.db2.gz ZTQWPEVINZGKHO-NEPJUHHUSA-N 2 1 198.354 2.378 10 0 AEAEMP CC(C)CC[N@H+]1CCC[NH2+]CC[C@H]1C 259260492 573989689 /nfs/dbraw/zinc/98/96/89/573989689.db2.gz FPVKBZMYYAHHIH-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[C@H](C)[N@@H+](C)CCC[C@@H](C)[NH3+] 45600165 573989040 /nfs/dbraw/zinc/98/90/40/573989040.db2.gz SARLYPPZMUOLTO-MNOVXSKESA-N 2 1 186.343 2.090 10 0 AEAEMP C[C@@H](C1CC1)[N@H+](C)CCCC[C@@H](C)[NH3+] 45600116 573989073 /nfs/dbraw/zinc/98/90/73/573989073.db2.gz LKWRPHSXWFLPRK-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[N@@H+](CC)CCCC[C@@H](C)[NH3+] 45599475 573989108 /nfs/dbraw/zinc/98/91/08/573989108.db2.gz HRIAXKWEAWVNDS-LLVKDONJSA-N 2 1 186.343 2.236 10 0 AEAEMP CC[C@H](C)[N@@H+](C)CCCC[C@@H](C)[NH3+] 45599620 573989157 /nfs/dbraw/zinc/98/91/57/573989157.db2.gz NNNOEPLZOHPQGI-MNOVXSKESA-N 2 1 186.343 2.234 10 0 AEAEMP CC[C@H]1CCC[N@H+]1CCC[C@@H](C)[NH2+]C 45600862 573989246 /nfs/dbraw/zinc/98/92/46/573989246.db2.gz IOFHPLDBEHSFNG-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP C[NH2+][C@H](C)CCCC[N@@H+](C)CC1CC1 45600890 573989317 /nfs/dbraw/zinc/98/93/17/573989317.db2.gz UENDNBDOXVACSH-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@@H+](CCC[C@H](C)[NH3+])C1CC1 45602170 573989344 /nfs/dbraw/zinc/98/93/44/573989344.db2.gz BLLWJMYALGQCCV-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[N@@H+](CCC[C@@H](C)[NH3+])C(C)C 45599508 573989409 /nfs/dbraw/zinc/98/94/09/573989409.db2.gz LJXXTVVOBRTLJL-LLVKDONJSA-N 2 1 186.343 2.234 10 0 AEAEMP CCCC[N@@H+](CC)CCC[C@H](C)[NH3+] 45599055 573989465 /nfs/dbraw/zinc/98/94/65/573989465.db2.gz DEHPGUFSOYPGMV-NSHDSACASA-N 2 1 186.343 2.236 10 0 AEAEMP CC[C@H]1CCC[N@@H+](CCC[C@@H](C)[NH3+])C1 45600303 573990089 /nfs/dbraw/zinc/99/00/89/573990089.db2.gz HANRWHZQEQLBDL-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@H]1CCCC[N@H+]1CCC[C@@H](C)[NH3+] 45599424 573990127 /nfs/dbraw/zinc/99/01/27/573990127.db2.gz JPLHUAJHEBLXJD-NEPJUHHUSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[N@@H+](CCC[C@@H](C)[NH2+]C)C1CC1 45599548 573990164 /nfs/dbraw/zinc/99/01/64/573990164.db2.gz BTBXPFBDAGISJB-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP C[C@@H]([NH3+])CCC[N@@H+](C)CC(C)(C)C 45603572 573990174 /nfs/dbraw/zinc/99/01/74/573990174.db2.gz PYAOWJYGRCXVHN-SNVBAGLBSA-N 2 1 186.343 2.092 10 0 AEAEMP CCc1[nH+]c(C)cn1[C@@H](CC)CC[NH3+] 715108782 573990225 /nfs/dbraw/zinc/99/02/25/573990225.db2.gz JHIZVKUICPNMBL-JTQLQIEISA-N 2 1 195.310 2.054 10 0 AEAEMP C[C@H]([NH3+])CCC[N@@H+](C)CC(C)(C)C 45603571 573990308 /nfs/dbraw/zinc/99/03/08/573990308.db2.gz PYAOWJYGRCXVHN-JTQLQIEISA-N 2 1 186.343 2.092 10 0 AEAEMP CC[NH2+][C@@H](C)CCC[N@@H+](CC)C1CC1 45599346 573990311 /nfs/dbraw/zinc/99/03/11/573990311.db2.gz JNGBDFUIJFGVHL-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[NH2+][C@@H](C)CCCC[N@@H+](C)C1CC1 45599366 573990400 /nfs/dbraw/zinc/99/04/00/573990400.db2.gz OXQBTNASIBCWGD-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)[N@@H+](CCC[C@@H](C)[NH3+])CC1CC1 45602995 573990459 /nfs/dbraw/zinc/99/04/59/573990459.db2.gz JVCHZVGKMUUCLX-LLVKDONJSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(CC)[N@@H+](C)CCC[C@@H](C)[NH3+] 45600206 573990467 /nfs/dbraw/zinc/99/04/67/573990467.db2.gz NXSKEYGUXJAFEM-SNVBAGLBSA-N 2 1 186.343 2.234 10 0 AEAEMP CCCCC[C@@H](C)[N@H+](C)CC[NH2+]C 87649193 573990498 /nfs/dbraw/zinc/99/04/98/573990498.db2.gz FLVOKSJVEZLIHS-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCCCC[C@@H](C)[N@@H+](C)CC[NH2+]C 87649193 573990503 /nfs/dbraw/zinc/99/05/03/573990503.db2.gz FLVOKSJVEZLIHS-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CC(C)C[C@H](C)[N@@H+](C)CCCC(N)=[NH2+] 42584058 573990700 /nfs/dbraw/zinc/99/07/00/573990700.db2.gz WHBKWAWBPOPVSR-JTQLQIEISA-N 2 1 199.342 2.069 10 0 AEAEMP CCC[N@@H+](C)CCCC[C@@H](C)[NH2+]C 45599565 573990082 /nfs/dbraw/zinc/99/00/82/573990082.db2.gz RPKZIEZBLNVLNV-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CC[C@@H]([NH3+])CC[N@H+]1CCCCC[C@@H]1C 127904924 573994041 /nfs/dbraw/zinc/99/40/41/573994041.db2.gz UVJCOBHTYGVBGR-NWDGAFQWSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)C1CCC1 127912389 573993460 /nfs/dbraw/zinc/99/34/60/573993460.db2.gz RBGBNGCAWKEDEO-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[NH2+]CCCC[N@@H+](C)C(C)C 45665643 573994634 /nfs/dbraw/zinc/99/46/34/573994634.db2.gz MMMRESMLGJEFJW-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CC(C)[N@@H+](C)CCCC[NH2+]C1CCC1 45684981 573994973 /nfs/dbraw/zinc/99/49/73/573994973.db2.gz DRDJKYOOPZAZTF-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)[N@@H+](C)CCCC[NH2+]CC1CC1 45666419 573994997 /nfs/dbraw/zinc/99/49/97/573994997.db2.gz WTVSQTIPZACPBW-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H]([NH3+])CC[N@H+]1CCCC(C)(C)C1 127903254 573995088 /nfs/dbraw/zinc/99/50/88/573995088.db2.gz UXAJZMLENPRVMG-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CCC1 127930000 573997674 /nfs/dbraw/zinc/99/76/74/573997674.db2.gz SPRWAJZJHCMHTD-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP CC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CCC1 127930000 573997677 /nfs/dbraw/zinc/99/76/77/573997677.db2.gz SPRWAJZJHCMHTD-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP CC[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)C1CCC1 127911711 573997908 /nfs/dbraw/zinc/99/79/08/573997908.db2.gz RBGBNGCAWKEDEO-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CN[C@@H]1CC[N@@H+](C2CCCC2)C1(C)C 259300103 573997953 /nfs/dbraw/zinc/99/79/53/573997953.db2.gz HLEUGAXHRXEUEN-LLVKDONJSA-N 2 1 196.338 2.001 10 0 AEAEMP CCC[NH2+]C[C@H](CC)[N@H+](C)C1CCC1 127915265 573997965 /nfs/dbraw/zinc/99/79/65/573997965.db2.gz IPCALPOEAMRBQT-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+]C[C@H](CC)[N@@H+](C)C1CCC1 127915265 573997973 /nfs/dbraw/zinc/99/79/73/573997973.db2.gz IPCALPOEAMRBQT-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H]1CC[C@@H](C)[N@@H+](CC[C@@H](C)[NH3+])C1 715112848 573998246 /nfs/dbraw/zinc/99/82/46/573998246.db2.gz MDQPRIWLKWFYEI-UTUOFQBUSA-N 2 1 198.354 2.234 10 0 AEAEMP C[N@H+](C1CCCCCC1)C1CC([NH3+])C1 87653274 574002620 /nfs/dbraw/zinc/00/26/20/574002620.db2.gz DHAYNKCVHPEZDI-UHFFFAOYSA-N 2 1 196.338 2.131 10 0 AEAEMP CCCC[NH2+]C[C@H](C)[N@H+](C)C1CCC1 127948215 574002713 /nfs/dbraw/zinc/00/27/13/574002713.db2.gz CWRXBGRLWPCXGZ-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCCC[NH2+]C[C@H](C)[N@@H+](C)C1CCC1 127948215 574002717 /nfs/dbraw/zinc/00/27/17/574002717.db2.gz CWRXBGRLWPCXGZ-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[N@H+]1CCCC[C@@H]1CCC1([NH3+])CC1 258199534 574005236 /nfs/dbraw/zinc/00/52/36/574005236.db2.gz ZDNMHFCWADIZOG-LLVKDONJSA-N 2 1 196.338 2.132 10 0 AEAEMP CCC[N@@H+](CC)C1C[C@@H]2CC[C@H](C1)[NH2+]2 48570619 574011677 /nfs/dbraw/zinc/01/16/77/574011677.db2.gz XERRMUKXPPYJAY-FOSCPWQOSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H](C)[N@H+]1CCC[C@@H](CC[NH2+]C)C1 259284030 574028389 /nfs/dbraw/zinc/02/83/89/574028389.db2.gz TVYGBMAMTGGAAE-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H](C)[N@H+]1CCC[C@H](CC[NH2+]C)C1 259284028 574029293 /nfs/dbraw/zinc/02/92/93/574029293.db2.gz TVYGBMAMTGGAAE-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@H](C)[N@H+]1CCC[C@@H](CC[NH2+]C)C1 259284023 574029832 /nfs/dbraw/zinc/02/98/32/574029832.db2.gz TVYGBMAMTGGAAE-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)C[N@H+]1C[C@@H](CC[NH3+])CC1(C)C 259291083 574036471 /nfs/dbraw/zinc/03/64/71/574036471.db2.gz HALLDJGAVZVDGI-NSHDSACASA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)C[N@H+]1C[C@H](CC[NH3+])CC1(C)C 259291080 574036976 /nfs/dbraw/zinc/03/69/76/574036976.db2.gz HALLDJGAVZVDGI-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H]1CC[NH2+]CCC[N@H+]1C1CCCC1 259300154 574048064 /nfs/dbraw/zinc/04/80/64/574048064.db2.gz HLTBNPGWNIFQEP-LLVKDONJSA-N 2 1 196.338 2.003 10 0 AEAEMP C[C@H]1CC[NH2+]CCC[N@H+]1C1CCCC1 259300157 574048074 /nfs/dbraw/zinc/04/80/74/574048074.db2.gz HLTBNPGWNIFQEP-NSHDSACASA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[N@@H+](C)C1CCC([NH+](C)C)CC1 1168315953 760899327 /nfs/dbraw/zinc/89/93/27/760899327.db2.gz SEFYCKOQIQJZTF-UHFFFAOYSA-N 2 1 198.354 2.201 10 0 AEAEMP CC(C)[N@@H+](C)C1CCC([NH+](C)C)CC1 1168314311 760899390 /nfs/dbraw/zinc/89/93/90/760899390.db2.gz DAJKXRPIIQFDQE-UHFFFAOYSA-N 2 1 198.354 2.199 10 0 AEAEMP CC[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1 1169251668 760949501 /nfs/dbraw/zinc/94/95/01/760949501.db2.gz XUROYVJLJRSRAO-LLVKDONJSA-N 2 1 198.354 2.201 10 0 AEAEMP CC[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 1169251668 760949535 /nfs/dbraw/zinc/94/95/35/760949535.db2.gz XUROYVJLJRSRAO-LLVKDONJSA-N 2 1 198.354 2.201 10 0 AEAEMP CC[NH+]1CCC([N@H+](CC)C(C)C)CC1 1169244175 760952691 /nfs/dbraw/zinc/95/26/91/760952691.db2.gz FXLVHUOPSCJMPT-UHFFFAOYSA-N 2 1 198.354 2.201 10 0 AEAEMP CC[NH+]1CCC([N@@H+](CC)C(C)C)CC1 1169244175 760952716 /nfs/dbraw/zinc/95/27/16/760952716.db2.gz FXLVHUOPSCJMPT-UHFFFAOYSA-N 2 1 198.354 2.201 10 0 AEAEMP CCC[N@H+](CC)C1CC[NH+](CC)CC1 1169244438 760954800 /nfs/dbraw/zinc/95/48/00/760954800.db2.gz OLTCMITXUYSOHR-UHFFFAOYSA-N 2 1 198.354 2.203 10 0 AEAEMP CCC[N@@H+](CC)C1CC[NH+](CC)CC1 1169244438 760954828 /nfs/dbraw/zinc/95/48/28/760954828.db2.gz OLTCMITXUYSOHR-UHFFFAOYSA-N 2 1 198.354 2.203 10 0 AEAEMP CC[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1 1169251670 760960039 /nfs/dbraw/zinc/96/00/39/760960039.db2.gz XUROYVJLJRSRAO-NSHDSACASA-N 2 1 198.354 2.201 10 0 AEAEMP CC[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 1169251670 760960057 /nfs/dbraw/zinc/96/00/57/760960057.db2.gz XUROYVJLJRSRAO-NSHDSACASA-N 2 1 198.354 2.201 10 0 AEAEMP CCCCC[N@H+](C)C[C@H]1CCCC[NH2+]1 37171863 1169073979 /nfs/dbraw/zinc/07/39/79/1169073979.db2.gz UTPOSTPAJQGXQQ-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCCC[N@@H+](C)C[C@H]1CCCC[NH2+]1 37171863 1169073992 /nfs/dbraw/zinc/07/39/92/1169073992.db2.gz UTPOSTPAJQGXQQ-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCCC[N@H+](C)C[C@@H]1CCCC[NH2+]1 37171862 1169074724 /nfs/dbraw/zinc/07/47/24/1169074724.db2.gz UTPOSTPAJQGXQQ-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCCC[N@@H+](C)C[C@@H]1CCCC[NH2+]1 37171862 1169074733 /nfs/dbraw/zinc/07/47/33/1169074733.db2.gz UTPOSTPAJQGXQQ-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP C[C@H](C[NH3+])C[N@@H+](C)C1CCCCCC1 36328146 1169076280 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/nfs/dbraw/zinc/37/33/42/1169373342.db2.gz KLJXLAPLZIGXHQ-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)[N@@H+](CCC)CCC[NH3+] 233275553 1169409974 /nfs/dbraw/zinc/40/99/74/1169409974.db2.gz ALGNZXLBPPTWDE-LLVKDONJSA-N 2 1 186.343 2.236 10 0 AEAEMP CCC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C 233275591 1169410716 /nfs/dbraw/zinc/41/07/16/1169410716.db2.gz WTHNULKAVZUMDV-LLVKDONJSA-N 2 1 186.343 2.234 10 0 AEAEMP CCC[C@H](C)[N@@H+](CCC[NH3+])C(C)C 233333777 1169411436 /nfs/dbraw/zinc/41/14/36/1169411436.db2.gz WTHNULKAVZUMDV-NSHDSACASA-N 2 1 186.343 2.234 10 0 AEAEMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 251669997 1169430609 /nfs/dbraw/zinc/43/06/09/1169430609.db2.gz CJCKFIRQHJJXOS-SRVKXCTJSA-N 2 1 198.354 2.153 10 0 AEAEMP CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 251669999 1169430668 /nfs/dbraw/zinc/43/06/68/1169430668.db2.gz CJCKFIRQHJJXOS-TUAOUCFPSA-N 2 1 198.354 2.153 10 0 AEAEMP CC(C)CCC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 251665080 1169432363 /nfs/dbraw/zinc/43/23/63/1169432363.db2.gz LBWWKKXLXAXNNX-VXGBXAGGSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C 252712488 1169434337 /nfs/dbraw/zinc/43/43/37/1169434337.db2.gz MPBKTNWWNGAXIX-GRYCIOLGSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C 252712488 1169434340 /nfs/dbraw/zinc/43/43/40/1169434340.db2.gz MPBKTNWWNGAXIX-GRYCIOLGSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C 252712489 1169434778 /nfs/dbraw/zinc/43/47/78/1169434778.db2.gz MPBKTNWWNGAXIX-WOPDTQHZSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 252712489 1169434779 /nfs/dbraw/zinc/43/47/79/1169434779.db2.gz MPBKTNWWNGAXIX-WOPDTQHZSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 252945699 1169435861 /nfs/dbraw/zinc/43/58/61/1169435861.db2.gz MDEPUMRNGJYFRA-IJLUTSLNSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 252945701 1169436088 /nfs/dbraw/zinc/43/60/88/1169436088.db2.gz MDEPUMRNGJYFRA-UTUOFQBUSA-N 2 1 196.338 2.001 10 0 AEAEMP CCCCC[N@@H+](C)[C@H]1CC[NH2+][C@H](C)C1 252939841 1169436201 /nfs/dbraw/zinc/43/62/01/1169436201.db2.gz IIMFNXOLIJDRSX-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCCC[N@@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 252939842 1169436381 /nfs/dbraw/zinc/43/63/81/1169436381.db2.gz IIMFNXOLIJDRSX-VXGBXAGGSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 252945700 1169437314 /nfs/dbraw/zinc/43/73/14/1169437314.db2.gz MDEPUMRNGJYFRA-TUAOUCFPSA-N 2 1 196.338 2.001 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 252966976 1169437420 /nfs/dbraw/zinc/43/74/20/1169437420.db2.gz XUJWMJCRJJCIPE-ZYHUDNBSSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@H]1CC[NH2+][C@H](C)C1 252966975 1169437605 /nfs/dbraw/zinc/43/76/05/1169437605.db2.gz XUJWMJCRJJCIPE-PWSUYJOCSA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)[N@@H+](C)CCC1CC[NH+](C)CC1 259982298 1169446683 /nfs/dbraw/zinc/44/66/83/1169446683.db2.gz ISKPIVQTIGGDIJ-UHFFFAOYSA-N 2 1 198.354 2.059 10 0 AEAEMP CCCCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300049604 1169459830 /nfs/dbraw/zinc/45/98/30/1169459830.db2.gz SXFIIXMTZULNHI-GRYCIOLGSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@H](C)C[N@H+]1CCC[C@@H]([NH3+])CC1 378680900 1169562029 /nfs/dbraw/zinc/56/20/29/1169562029.db2.gz WAXTYZUHDIPVHI-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCCCC[N@H+]1CCC[C@H]([NH3+])CC1 378666635 1169562207 /nfs/dbraw/zinc/56/22/07/1169562207.db2.gz GUVCIXSVMPLAHV-LBPRGKRZSA-N 2 1 198.354 2.380 10 0 AEAEMP CCCCCC[N@H+]1CCC[C@@H]([NH3+])CC1 378666634 1169562232 /nfs/dbraw/zinc/56/22/32/1169562232.db2.gz GUVCIXSVMPLAHV-GFCCVEGCSA-N 2 1 198.354 2.380 10 0 AEAEMP CCC[C@H](C)C[N@H+]1CCC[C@H]([NH3+])CC1 378680901 1169562296 /nfs/dbraw/zinc/56/22/96/1169562296.db2.gz WAXTYZUHDIPVHI-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)C[N@H+]1CCC[C@H]([NH3+])CC1 378680899 1169562601 /nfs/dbraw/zinc/56/26/01/1169562601.db2.gz WAXTYZUHDIPVHI-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)C[N@H+]1CCC[C@@H]([NH3+])CC1 378680902 1169562979 /nfs/dbraw/zinc/56/29/79/1169562979.db2.gz WAXTYZUHDIPVHI-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C 379542766 1169587022 /nfs/dbraw/zinc/58/70/22/1169587022.db2.gz RSMGGDJQAJMODD-QJPTWQEYSA-N 2 1 198.354 2.233 10 0 AEAEMP CCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 379587140 1169589635 /nfs/dbraw/zinc/58/96/35/1169589635.db2.gz RYXHRLGGBQMIOC-LBPRGKRZSA-N 2 1 198.354 2.237 10 0 AEAEMP CCCCC[N@H+]1CCCC[C@H](C[NH3+])C1 379587137 1169590672 /nfs/dbraw/zinc/59/06/72/1169590672.db2.gz RYXHRLGGBQMIOC-GFCCVEGCSA-N 2 1 198.354 2.237 10 0 AEAEMP CCC(CC)[N@H+]1CCCC[C@@H](C[NH3+])C1 379612870 1169592615 /nfs/dbraw/zinc/59/26/15/1169592615.db2.gz WDUQXHFRSODIEC-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCC(CC)[N@H+]1CCCC[C@H](C[NH3+])C1 379612869 1169593395 /nfs/dbraw/zinc/59/33/95/1169593395.db2.gz WDUQXHFRSODIEC-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCCCC[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 381563048 1169596535 /nfs/dbraw/zinc/59/65/35/1169596535.db2.gz IHCBJMDLAHGCOB-VXGBXAGGSA-N 2 1 198.354 2.378 10 0 AEAEMP CCCCCC[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C 381709320 1169596861 /nfs/dbraw/zinc/59/68/61/1169596861.db2.gz IHCBJMDLAHGCOB-NWDGAFQWSA-N 2 1 198.354 2.378 10 0 AEAEMP CCCCCC[N@H+]1CCC[C@H]([NH3+])[C@H]1C 381709317 1169597307 /nfs/dbraw/zinc/59/73/07/1169597307.db2.gz IHCBJMDLAHGCOB-NEPJUHHUSA-N 2 1 198.354 2.378 10 0 AEAEMP CCCCCC[N@H+]1CCC[C@H]([NH3+])[C@@H]1C 381709324 1169598134 /nfs/dbraw/zinc/59/81/34/1169598134.db2.gz IHCBJMDLAHGCOB-RYUDHWBXSA-N 2 1 198.354 2.378 10 0 AEAEMP CC(C)CCC[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 381622129 1169598176 /nfs/dbraw/zinc/59/81/76/1169598176.db2.gz SHRSUAYJDWEDFS-VXGBXAGGSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)CCC[N@H+]1CCC[C@@H]([NH3+])CC1 382335914 1169601419 /nfs/dbraw/zinc/60/14/19/1169601419.db2.gz YDDGJZGSZLINAK-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)CCC[N@H+]1CCC[C@H]([NH3+])CC1 382335915 1169602385 /nfs/dbraw/zinc/60/23/85/1169602385.db2.gz YDDGJZGSZLINAK-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 389216794 1169635980 /nfs/dbraw/zinc/63/59/80/1169635980.db2.gz KUZLXTDDMZYOIT-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)CC[N@H+]1CCCC[C@@H](C[NH3+])C1 389231593 1169636174 /nfs/dbraw/zinc/63/61/74/1169636174.db2.gz UCEAVGOMHVBFDZ-LBPRGKRZSA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)CC[N@H+]1CCCC[C@H](C[NH3+])C1 389231591 1169637193 /nfs/dbraw/zinc/63/71/93/1169637193.db2.gz UCEAVGOMHVBFDZ-GFCCVEGCSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 389216796 1169637361 /nfs/dbraw/zinc/63/73/61/1169637361.db2.gz KUZLXTDDMZYOIT-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 389216797 1169637435 /nfs/dbraw/zinc/63/74/35/1169637435.db2.gz KUZLXTDDMZYOIT-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 389216793 1169637463 /nfs/dbraw/zinc/63/74/63/1169637463.db2.gz KUZLXTDDMZYOIT-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[C@H](C)[N@H+]1CCC[C@@H]1C[NH2+]C 394651165 1169649019 /nfs/dbraw/zinc/64/90/19/1169649019.db2.gz ZBPLWODPRINCFY-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCC[C@@H](C)[N@H+]1CCC[C@@H]1C[NH2+]C 394651170 1169649112 /nfs/dbraw/zinc/64/91/12/1169649112.db2.gz ZBPLWODPRINCFY-VXGBXAGGSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)CCC[N@H+]1CCC[C@H]([NH3+])[C@H]1C 394626684 1169649649 /nfs/dbraw/zinc/64/96/49/1169649649.db2.gz SHRSUAYJDWEDFS-NEPJUHHUSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)CCC[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C 394626685 1169650817 /nfs/dbraw/zinc/65/08/17/1169650817.db2.gz SHRSUAYJDWEDFS-NWDGAFQWSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)CCC[N@H+]1CCC[C@H]([NH3+])[C@@H]1C 394626686 1169651016 /nfs/dbraw/zinc/65/10/16/1169651016.db2.gz SHRSUAYJDWEDFS-RYUDHWBXSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399010743 1169670554 /nfs/dbraw/zinc/67/05/54/1169670554.db2.gz ARLVXKYDZMNNNM-RYUDHWBXSA-N 2 1 198.354 2.297 10 0 AEAEMP CCCCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399010740 1169671580 /nfs/dbraw/zinc/67/15/80/1169671580.db2.gz ARLVXKYDZMNNNM-NEPJUHHUSA-N 2 1 198.354 2.297 10 0 AEAEMP CCCCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399010744 1169671872 /nfs/dbraw/zinc/67/18/72/1169671872.db2.gz ARLVXKYDZMNNNM-VXGBXAGGSA-N 2 1 198.354 2.297 10 0 AEAEMP CCCCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399010742 1169672163 /nfs/dbraw/zinc/67/21/63/1169672163.db2.gz ARLVXKYDZMNNNM-NWDGAFQWSA-N 2 1 198.354 2.297 10 0 AEAEMP [NH3+]CCCC[N@H+]1CCC12CCCCC2 707603669 1169719348 /nfs/dbraw/zinc/71/93/48/1169719348.db2.gz LBXIXTZTVDXPBA-UHFFFAOYSA-N 2 1 196.338 2.134 10 0 AEAEMP CCC[C@H](CC)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 708863523 1169721885 /nfs/dbraw/zinc/72/18/85/1169721885.db2.gz WAONQYWVFOCTAT-TUAOUCFPSA-N 2 1 198.354 2.092 10 0 AEAEMP CCCC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 708823441 1169723415 /nfs/dbraw/zinc/72/34/15/1169723415.db2.gz VBYCKWKPRAGMNL-SDDRHHMPSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1CC([NH2+]C(C)(C)C[NH3+])C[C@H](C)C1 719337592 1169754321 /nfs/dbraw/zinc/75/43/21/1169754321.db2.gz PTNRZCHUNYMRGV-NXEZZACHSA-N 2 1 198.354 2.138 10 0 AEAEMP C[C@H]1C[C@@H](C)C[C@H]([NH2+]C(C)(C)C[NH3+])C1 719337594 1169755714 /nfs/dbraw/zinc/75/57/14/1169755714.db2.gz PTNRZCHUNYMRGV-URLYPYJESA-N 2 1 198.354 2.138 10 0 AEAEMP C[C@@H]1CC([NH2+]C(C)(C)C[NH3+])C[C@@H](C)C1 719337595 1169755778 /nfs/dbraw/zinc/75/57/78/1169755778.db2.gz PTNRZCHUNYMRGV-UWVGGRQHSA-N 2 1 198.354 2.138 10 0 AEAEMP CC[C@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC 53485961 566256721 /nfs/dbraw/zinc/25/67/21/566256721.db2.gz SXMDDNUQWXQJPJ-WDEREUQCSA-N 2 1 186.343 2.105 10 0 AEAEMP CC[C@@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC 53485957 566257996 /nfs/dbraw/zinc/25/79/96/566257996.db2.gz SXMDDNUQWXQJPJ-GHMZBOCLSA-N 2 1 186.343 2.105 10 0 AEAEMP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 1258078663 1170050141 /nfs/dbraw/zinc/05/01/41/1170050141.db2.gz GKWJDATYBNKJEV-RYUDHWBXSA-N 2 1 196.338 2.154 10 0 AEAEMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 1258078663 1170050149 /nfs/dbraw/zinc/05/01/49/1170050149.db2.gz GKWJDATYBNKJEV-RYUDHWBXSA-N 2 1 196.338 2.154 10 0 AEAEMP CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 1258078666 1170050239 /nfs/dbraw/zinc/05/02/39/1170050239.db2.gz GKWJDATYBNKJEV-VXGBXAGGSA-N 2 1 196.338 2.154 10 0 AEAEMP CC(C)=CCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 1258078666 1170050243 /nfs/dbraw/zinc/05/02/43/1170050243.db2.gz GKWJDATYBNKJEV-VXGBXAGGSA-N 2 1 196.338 2.154 10 0 AEAEMP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 1258078662 1170052041 /nfs/dbraw/zinc/05/20/41/1170052041.db2.gz GKWJDATYBNKJEV-NWDGAFQWSA-N 2 1 196.338 2.154 10 0 AEAEMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 1258078662 1170052048 /nfs/dbraw/zinc/05/20/48/1170052048.db2.gz GKWJDATYBNKJEV-NWDGAFQWSA-N 2 1 196.338 2.154 10 0 AEAEMP CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 1258078660 1170053000 /nfs/dbraw/zinc/05/30/00/1170053000.db2.gz GKWJDATYBNKJEV-NEPJUHHUSA-N 2 1 196.338 2.154 10 0 AEAEMP CC(C)=CCC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 1258078660 1170053006 /nfs/dbraw/zinc/05/30/06/1170053006.db2.gz GKWJDATYBNKJEV-NEPJUHHUSA-N 2 1 196.338 2.154 10 0 AEAEMP CC[C@](C)(C[NH3+])C[N@H+]1CCC[C@H](C)C1 51210143 571672563 /nfs/dbraw/zinc/67/25/63/571672563.db2.gz VNCQNVJJMCVHOA-NWDGAFQWSA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)CC[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 50245378 571672877 /nfs/dbraw/zinc/67/28/77/571672877.db2.gz JNMCVECOCJOJIZ-NWDGAFQWSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@@](C)(C[NH3+])C[N@H+]1CC[C@H](C)C1 51249970 571673596 /nfs/dbraw/zinc/67/35/96/571673596.db2.gz DSIXKMQCWPCNQA-RYUDHWBXSA-N 2 1 198.354 2.093 10 0 AEAEMP C[NH2+][C@H](C)CC[N@H+]1CCC[C@H](C)[C@H]1C 50564561 571673785 /nfs/dbraw/zinc/67/37/85/571673785.db2.gz DUSJWGWGFGIIMH-QJPTWQEYSA-N 2 1 198.354 2.105 10 0 AEAEMP 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CC(C)C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C)CC1 74236608 571990270 /nfs/dbraw/zinc/99/02/70/571990270.db2.gz OGVYMJWYFMPQIR-NWDGAFQWSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1CC[N@H+](CC[C@H](C)CC[NH3+])[C@@H]1C 393446146 571994798 /nfs/dbraw/zinc/99/47/98/571994798.db2.gz HKFDMUKAIBVYPU-GRYCIOLGSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H](CC[NH3+])CC[N@H+]1CC[C@@H](C)[C@H]1C 393446147 571995840 /nfs/dbraw/zinc/99/58/40/571995840.db2.gz HKFDMUKAIBVYPU-IJLUTSLNSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1CC[N@H+](CC[C@H](C)CC[NH3+])[C@H]1C 393446149 571996133 /nfs/dbraw/zinc/99/61/33/571996133.db2.gz HKFDMUKAIBVYPU-WOPDTQHZSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H]([C@H]([NH3+])CCC(C)(C)C)[NH+](C)C 74279767 571997098 /nfs/dbraw/zinc/99/70/98/571997098.db2.gz GYQWUVGCPNNYMO-VHSXEESVSA-N 2 1 186.343 2.090 10 0 AEAEMP C[C@H]1[C@H](C)CC[N@@H+]1CC[C@H](C)CC[NH3+] 393446148 571997105 /nfs/dbraw/zinc/99/71/05/571997105.db2.gz HKFDMUKAIBVYPU-UTUOFQBUSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1C[C@@H](C)C[N@@H+]1CC[C@H](C)CC[NH3+] 393447376 571997478 /nfs/dbraw/zinc/99/74/78/571997478.db2.gz IPSNTDYABLUVHV-UTUOFQBUSA-N 2 1 198.354 2.092 10 0 AEAEMP C[NH2+]CC[C@H]1CCC[N@H+]1C1CCCC1 219573941 571998165 /nfs/dbraw/zinc/99/81/65/571998165.db2.gz HNIINRAJJXENOX-GFCCVEGCSA-N 2 1 196.338 2.003 10 0 AEAEMP C[C@H]1C[C@H](C)[N@@H+](CC[C@H](C)CC[NH3+])C1 393447382 571998614 /nfs/dbraw/zinc/99/86/14/571998614.db2.gz IPSNTDYABLUVHV-WOPDTQHZSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H](CC[NH3+])CC[N@H+]1C[C@H](C)C[C@H]1C 393447372 571999303 /nfs/dbraw/zinc/99/93/03/571999303.db2.gz IPSNTDYABLUVHV-IJLUTSLNSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1C[C@@H](C)[N@@H+](CC[C@H](C)CC[NH3+])C1 393447367 571999397 /nfs/dbraw/zinc/99/93/97/571999397.db2.gz IPSNTDYABLUVHV-GRYCIOLGSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[NH2+]CCC[N@H+]1CCCC[C@@H]1CC 33943697 572001756 /nfs/dbraw/zinc/00/17/56/572001756.db2.gz UNIVJAJCEVKJAS-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP 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CCCC[C@](CC)(C[NH3+])[NH2+]CCC 68988365 572012280 /nfs/dbraw/zinc/01/22/80/572012280.db2.gz RVJPZSDJZBYSRV-LLVKDONJSA-N 2 1 186.343 2.284 10 0 AEAEMP CC(C)CC[NH2+][C@@H](C)C[NH+]1CCCC1 42371895 572012311 /nfs/dbraw/zinc/01/23/11/572012311.db2.gz RWUHWRGPZBRTPX-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[C@](CC)(C[NH3+])[NH2+]C1CC1 68988378 572012442 /nfs/dbraw/zinc/01/24/42/572012442.db2.gz AMKOGCQXGBOOJF-LLVKDONJSA-N 2 1 184.327 2.036 10 0 AEAEMP CC[N@@H+](CC1CC1)C[C@](C)(CC)C[NH3+] 68948402 572013327 /nfs/dbraw/zinc/01/33/27/572013327.db2.gz DWAFNPJPGVHWQI-GFCCVEGCSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@H](C)[NH2+]CC[N@H+](CC)CC1CC1 68947656 572013405 /nfs/dbraw/zinc/01/34/05/572013405.db2.gz CUBKOXWRYOPOMH-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H](C)[NH2+]CC[N@@H+](CC)CC1CC1 68947656 572013406 /nfs/dbraw/zinc/01/34/06/572013406.db2.gz CUBKOXWRYOPOMH-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[C@](CC)(C[NH3+])[NH2+]C(C)C 68988371 572013506 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198.354 2.106 10 0 AEAEMP CCCC[C@H](CC)[N@H+]1CC[C@H](C[NH3+])C1 68988974 572014329 /nfs/dbraw/zinc/01/43/29/572014329.db2.gz WLCYPPGLPMVDHA-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[NH2+]CC[N@H+](CC)CC1CC1 68948694 572014944 /nfs/dbraw/zinc/01/49/44/572014944.db2.gz WNFOQXIQYQJRHB-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CCCC[NH2+]CC[N@@H+](CC)CC1CC1 68948694 572014946 /nfs/dbraw/zinc/01/49/46/572014946.db2.gz WNFOQXIQYQJRHB-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[N@@H+](CC1CC1)[C@H](C)CCC[NH2+]C 68948602 572015047 /nfs/dbraw/zinc/01/50/47/572015047.db2.gz KYCXJZPLYHNWNE-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[N@@H+](CCCCC[NH2+]C)CC1CC1 68948673 572015059 /nfs/dbraw/zinc/01/50/59/572015059.db2.gz TUJOIUAYMLLNQY-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC(C)(C)[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 68995008 572015406 /nfs/dbraw/zinc/01/54/06/572015406.db2.gz SPUFRVGDMZRXNA-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[NH2+]CC[C@@H](C)[N@@H+](CC)CC1CC1 68948651 572017064 /nfs/dbraw/zinc/01/70/64/572017064.db2.gz MBBDBVUIMDZHSA-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[N@@H+](CC1CCC1)[C@@H](C)C[C@H](C)[NH3+] 300237672 572017469 /nfs/dbraw/zinc/01/74/69/572017469.db2.gz CLWPTVVXQLGXLR-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+](C)C(C)(C)CC 68998856 572017651 /nfs/dbraw/zinc/01/76/51/572017651.db2.gz GFGHEQQVLHMMRM-VIFPVBQESA-N 2 1 199.342 2.211 10 0 AEAEMP CC[N@H+](CC1CCCC1)C[C@@H](C)C[NH3+] 42443146 572017694 /nfs/dbraw/zinc/01/76/94/572017694.db2.gz BJSILSAVYLTKML-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP CCC(C)(C)[N@@H+](C)CCC[C@@H](C)[NH3+] 68997102 572018172 /nfs/dbraw/zinc/01/81/72/572018172.db2.gz JNUNBTGEIKVQMD-SNVBAGLBSA-N 2 1 186.343 2.234 10 0 AEAEMP CCC(C)(C)[N@@H+](C)CCCCC(N)=[NH2+] 68998845 572019251 /nfs/dbraw/zinc/01/92/51/572019251.db2.gz VKEMJRFPBHHZHS-UHFFFAOYSA-N 2 1 199.342 2.213 10 0 AEAEMP CC[N@@H+](CC1CCC1)[C@H](C)C[C@H](C)[NH3+] 300237673 572019010 /nfs/dbraw/zinc/01/90/10/572019010.db2.gz CLWPTVVXQLGXLR-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[NH2+]CCC[N@@H+](C)C(C)(C)CC 68997343 572019437 /nfs/dbraw/zinc/01/94/37/572019437.db2.gz DQMSEWPUVBWNIS-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC(C)(C)[N@@H+](C)CC[C@@H](C)[NH2+]C 68996653 572019635 /nfs/dbraw/zinc/01/96/35/572019635.db2.gz YSXNHRNBAHOFHC-SNVBAGLBSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC(C)(C)[N@@H+](C)CCC[NH2+]C1CC1 68997154 572019650 /nfs/dbraw/zinc/01/96/50/572019650.db2.gz LFFSBMLWDIFFMY-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC(C)(C)[N@@H+](C)CC[C@H](C)[NH2+]C 68996659 572020086 /nfs/dbraw/zinc/02/00/86/572020086.db2.gz YSXNHRNBAHOFHC-JTQLQIEISA-N 2 1 186.343 2.105 10 0 AEAEMP CCC(C)(C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 69015490 572021116 /nfs/dbraw/zinc/02/11/16/572021116.db2.gz VXXQNZLJNXNUOF-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC(C)(C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 69015488 572022535 /nfs/dbraw/zinc/02/25/35/572022535.db2.gz VXXQNZLJNXNUOF-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H]([NH3+])CN(C)C1CCC(C)CC1 42488254 572023211 /nfs/dbraw/zinc/02/32/11/572023211.db2.gz WSYIGZJMTGDIHY-CXQJBGSLSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)[N@@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 69011698 572023471 /nfs/dbraw/zinc/02/34/71/572023471.db2.gz WLNOHPPTWNPSRS-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)[N@@H+](C)C[C@H]1CCC[C@@H]1[NH3+] 69011700 572024056 /nfs/dbraw/zinc/02/40/56/572024056.db2.gz WLNOHPPTWNPSRS-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP CCCN(CC1CC1)C[C@H]([NH3+])C(C)C 42491174 572024682 /nfs/dbraw/zinc/02/46/82/572024682.db2.gz RBNRNPFRVZHJNI-LBPRGKRZSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[N@@H+](CC1CC1)[C@H](CC)CC[NH3+] 35452185 572025801 /nfs/dbraw/zinc/02/58/01/572025801.db2.gz IZRDLBREECPWNS-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@H](CC[NH3+])[N@@H+](CC)C1CCCC1 35765217 572034333 /nfs/dbraw/zinc/03/43/33/572034333.db2.gz ADCVWXRNAVXBGR-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@@H](CCC[NH3+])[N@H+]1CCC[C@@H](C)CC1 82490520 572037429 /nfs/dbraw/zinc/03/74/29/572037429.db2.gz HMRDCBCBZUUWOP-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](C)CC1 82490490 572037467 /nfs/dbraw/zinc/03/74/67/572037467.db2.gz IZLPJXQUEDJOBM-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP C[NH2+][C@H](C)CC[N@H+]1CCC[C@@H](C)CC1 82489159 572037765 /nfs/dbraw/zinc/03/77/65/572037765.db2.gz HWRIXAFLAKUSMI-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+]CCC[N@H+]1CCC[C@@H](C)CC1 82489222 572037872 /nfs/dbraw/zinc/03/78/72/572037872.db2.gz YDKXZPUWXUDZIU-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP C[C@H]1CCC[N@@H+](CCCCC[NH3+])CC1 82488901 572037894 /nfs/dbraw/zinc/03/78/94/572037894.db2.gz SSFNZFBRXRILTQ-LBPRGKRZSA-N 2 1 198.354 2.237 10 0 AEAEMP CC[C@H](CC[NH3+])[N@H+]1CCC[C@H](C)CC1 82488872 572038125 /nfs/dbraw/zinc/03/81/25/572038125.db2.gz KSWDYKNAECKQDV-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H](C)CC1 82490486 572038685 /nfs/dbraw/zinc/03/86/85/572038685.db2.gz IZLPJXQUEDJOBM-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+]CC[N@@H+]1CCC[C@@H](C)CC1 82489196 572039358 /nfs/dbraw/zinc/03/93/58/572039358.db2.gz AKGCFXQKXTXOPX-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC[NH2+]CC[N@H+]1CCC[C@@H](C)CC1 82489196 572039359 /nfs/dbraw/zinc/03/93/59/572039359.db2.gz AKGCFXQKXTXOPX-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[C@H]1CCC[N@@H+](C[C@H](C)CC[NH3+])C1 251828830 572039006 /nfs/dbraw/zinc/03/90/06/572039006.db2.gz PUOJVXHWMWLHNY-NEPJUHHUSA-N 2 1 198.354 2.093 10 0 AEAEMP C[C@H]1CCC[N@H+](CCC[C@@H](C)[NH3+])CC1 82489042 572039198 /nfs/dbraw/zinc/03/91/98/572039198.db2.gz WHDKXMXMLRWJBN-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@H]1CCC[N@H+]([C@@H](C)CCC[NH3+])CC1 82490523 572039525 /nfs/dbraw/zinc/03/95/25/572039525.db2.gz HMRDCBCBZUUWOP-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@@H]1CCC[N@@H+](C[C@H](C)CC[NH3+])C1 251828833 572040004 /nfs/dbraw/zinc/04/00/04/572040004.db2.gz PUOJVXHWMWLHNY-VXGBXAGGSA-N 2 1 198.354 2.093 10 0 AEAEMP C[NH2+]CCCC[N@H+]1CCC[C@@H](C)CC1 82490429 572040024 /nfs/dbraw/zinc/04/00/24/572040024.db2.gz AJUVLIVIJVAAQB-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP C[C@@H]([NH3+])CCC[N@H+]1CCC[C@@H](C)CC1 82489040 572040178 /nfs/dbraw/zinc/04/01/78/572040178.db2.gz WHDKXMXMLRWJBN-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+][C@H](C)CC[N@H+]1CCC[C@H](C)CC1 82489161 572040212 /nfs/dbraw/zinc/04/02/12/572040212.db2.gz HWRIXAFLAKUSMI-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H]1CCC[N@H+]([C@@H](CC)CC[NH3+])C1 36169015 572040345 /nfs/dbraw/zinc/04/03/45/572040345.db2.gz WIXFGGSXDLWGKV-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[NH2+]CC[N@@H+]1CCC[C@H](C)CC1 82489194 572040425 /nfs/dbraw/zinc/04/04/25/572040425.db2.gz AKGCFXQKXTXOPX-LBPRGKRZSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC[NH2+]CC[N@H+]1CCC[C@H](C)CC1 82489194 572040428 /nfs/dbraw/zinc/04/04/28/572040428.db2.gz AKGCFXQKXTXOPX-LBPRGKRZSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[C@@H](CC[NH3+])[N@H+]1CCC[C@@H](CC)C1 36169014 572040660 /nfs/dbraw/zinc/04/06/60/572040660.db2.gz WIXFGGSXDLWGKV-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](C)CC1 82489232 572040674 /nfs/dbraw/zinc/04/06/74/572040674.db2.gz KKVOATBTBVOZCS-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](C)CC1 82489232 572040677 /nfs/dbraw/zinc/04/06/77/572040677.db2.gz KKVOATBTBVOZCS-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+]CCC[N@H+]1CCC[C@H](C)CC1 82489220 572040686 /nfs/dbraw/zinc/04/06/86/572040686.db2.gz YDKXZPUWXUDZIU-LBPRGKRZSA-N 2 1 198.354 2.108 10 0 AEAEMP C[NH2+]CCCC[N@H+]1CCC[C@H](C)CC1 82490431 572040869 /nfs/dbraw/zinc/04/08/69/572040869.db2.gz AJUVLIVIJVAAQB-LBPRGKRZSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC(CC)[NH2+][C@H](C[NH3+])C(C)(C)C 300912867 572041208 /nfs/dbraw/zinc/04/12/08/572041208.db2.gz YHTIBLUWGFRZMY-SNVBAGLBSA-N 2 1 186.343 2.138 10 0 AEAEMP C[C@H]([NH3+])CCC[N@@H+](C)CC1CCCC1 82492328 572041689 /nfs/dbraw/zinc/04/16/89/572041689.db2.gz WOFZJYMPBWZELD-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@H](CCC[NH3+])[N@@H+](C)CC1CCCC1 82493150 572042254 /nfs/dbraw/zinc/04/22/54/572042254.db2.gz KNMCJEQTTAVUSZ-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP C[N@@H+](CCCCC[NH3+])CC1CCCC1 82491996 572041817 /nfs/dbraw/zinc/04/18/17/572041817.db2.gz WXQMTGYIVKVCMW-UHFFFAOYSA-N 2 1 198.354 2.237 10 0 AEAEMP CC[C@@H](CC[NH3+])[N@@H+](C)CC1CCCC1 82492013 572042171 /nfs/dbraw/zinc/04/21/71/572042171.db2.gz SUVQIFWZQZQDGF-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@@H](CCC[NH3+])[N@@H+](C)CC1CCCC1 82493149 572042191 /nfs/dbraw/zinc/04/21/91/572042191.db2.gz KNMCJEQTTAVUSZ-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC[NH2+]CCC[N@@H+](C)CC1CCCC1 82492360 572042301 /nfs/dbraw/zinc/04/23/01/572042301.db2.gz XKPYBFHPHIIEMZ-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP C[NH2+]CC[C@H](C)[N@@H+](C)CC1CCCC1 82493136 572042537 /nfs/dbraw/zinc/04/25/37/572042537.db2.gz CBWQSJBNOPSZKU-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@]1(C[NH2+]C)CCC[N@@H+](C)CC1 219723391 572042588 /nfs/dbraw/zinc/04/25/88/572042588.db2.gz MVMWCCPYYGCQEX-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[C@H](CC[NH3+])[N@@H+](C)CC1CCCC1 82492014 572042649 /nfs/dbraw/zinc/04/26/49/572042649.db2.gz SUVQIFWZQZQDGF-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+][C@H](C)CC[N@@H+](C)CC1CCCC1 82492311 572043003 /nfs/dbraw/zinc/04/30/03/572043003.db2.gz ZXBMDSAZTDYJGP-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC(CC)[NH2+][C@@H](C[NH3+])C(C)(C)C 300912866 572043173 /nfs/dbraw/zinc/04/31/73/572043173.db2.gz YHTIBLUWGFRZMY-JTQLQIEISA-N 2 1 186.343 2.138 10 0 AEAEMP C[NH2+][C@@H](C)CC[N@@H+](C)CC1CCCC1 82492309 572043259 /nfs/dbraw/zinc/04/32/59/572043259.db2.gz ZXBMDSAZTDYJGP-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP C[C@@H]([NH3+])CCC[N@@H+](C)CC1CCCC1 82492330 572043270 /nfs/dbraw/zinc/04/32/70/572043270.db2.gz WOFZJYMPBWZELD-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+]CC[C@@H](C)[N@@H+](C)CC1CCCC1 82493137 572043414 /nfs/dbraw/zinc/04/34/14/572043414.db2.gz CBWQSJBNOPSZKU-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)(C)CCC[N@H+](CC[NH3+])C1CC1 300912789 572043502 /nfs/dbraw/zinc/04/35/02/572043502.db2.gz YDKGBEAVCLOPSQ-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)(C)CCC[N@@H+](CC[NH3+])C1CC1 300912789 572043504 /nfs/dbraw/zinc/04/35/04/572043504.db2.gz YDKGBEAVCLOPSQ-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+]CCCC[N@@H+](C)CC1CCCC1 82493111 572043563 /nfs/dbraw/zinc/04/35/63/572043563.db2.gz OZAVVMFXENPHDH-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP C[NH2+]C[C@@H](C)[NH2+]CCCC(C)(C)C 300916659 572044217 /nfs/dbraw/zinc/04/42/17/572044217.db2.gz SQTXPPIBQGJJHU-SNVBAGLBSA-N 2 1 186.343 2.010 10 0 AEAEMP CCC[C@H]1CCCC[N@H+]1CC[C@@H](C)[NH3+] 212882824 572045079 /nfs/dbraw/zinc/04/50/79/572045079.db2.gz DHEAFGIQKXTISE-NEPJUHHUSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[C@H](C)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C 251838658 572044646 /nfs/dbraw/zinc/04/46/46/572044646.db2.gz LCQVSBGBIUZHPW-USZNOCQGSA-N 2 1 198.354 2.090 10 0 AEAEMP C[NH2+]C[C@H](C)[NH2+]CCCC(C)(C)C 300916657 572044998 /nfs/dbraw/zinc/04/49/98/572044998.db2.gz SQTXPPIBQGJJHU-JTQLQIEISA-N 2 1 186.343 2.010 10 0 AEAEMP CCC[C@@H]1CCCC[N@H+]1CC[C@@H](C)[NH3+] 212882775 572045997 /nfs/dbraw/zinc/04/59/97/572045997.db2.gz DHEAFGIQKXTISE-VXGBXAGGSA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@H]([NH3+])CC[N@@H+](C)CCC(C)(C)C 220075611 572049333 /nfs/dbraw/zinc/04/93/33/572049333.db2.gz BFAHLDUCNVAKLD-JTQLQIEISA-N 2 1 186.343 2.092 10 0 AEAEMP CC[N@@H+]1C[C@H]([NH3+])C[C@@H](CC(C)(C)C)C1 250212612 572050083 /nfs/dbraw/zinc/05/00/83/572050083.db2.gz CTHKQPROVZNDLU-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP C1CC[NH2+][C@H]([NH+]2CCCCCC2)CC1 34071186 572050342 /nfs/dbraw/zinc/05/03/42/572050342.db2.gz UWSCJICCRXNKCK-GFCCVEGCSA-N 2 1 196.338 2.352 10 0 AEAEMP CC[N@H+]1C[C@@H](CC(C)(C)C)C[C@@H]([NH3+])C1 250212609 572050995 /nfs/dbraw/zinc/05/09/95/572050995.db2.gz CTHKQPROVZNDLU-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP C1CC[NH2+][C@@H]([NH+]2CCCCCC2)CC1 34071187 572051035 /nfs/dbraw/zinc/05/10/35/572051035.db2.gz UWSCJICCRXNKCK-LBPRGKRZSA-N 2 1 196.338 2.352 10 0 AEAEMP CC(C)CC[N@H+]1CCC[C@H]1CCC[NH3+] 82596675 572057515 /nfs/dbraw/zinc/05/75/15/572057515.db2.gz PPXBOUCWQTYWFJ-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP [NH3+]CCC[C@H]1CCC[N@H+]1C1CCCC1 82596682 572057595 /nfs/dbraw/zinc/05/75/95/572057595.db2.gz QYSGGMQLJVFZDC-LBPRGKRZSA-N 2 1 196.338 2.132 10 0 AEAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1C1CCCC1 82596684 572057902 /nfs/dbraw/zinc/05/79/02/572057902.db2.gz QYSGGMQLJVFZDC-GFCCVEGCSA-N 2 1 196.338 2.132 10 0 AEAEMP CC[C@@H](C)C[N@H+]1CCC[C@@H]1CCC[NH3+] 82596640 572058346 /nfs/dbraw/zinc/05/83/46/572058346.db2.gz QTIJLEOQMHTOPL-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@@H](CC[NH3+])[N@H+]1C[C@@H](C)C[C@@H](C)C1 36677490 572058991 /nfs/dbraw/zinc/05/89/91/572058991.db2.gz IVUQZXNSGCKQPE-TUAOUCFPSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@H](CC[NH3+])n1cc[nH+]c1C(C)C 36678000 572059319 /nfs/dbraw/zinc/05/93/19/572059319.db2.gz SIYDEIRGYUGFBQ-SNVBAGLBSA-N 2 1 195.310 2.306 10 0 AEAEMP CC(C)CC[N@H+]1CCC[C@@H]1CCC[NH3+] 82596673 572059336 /nfs/dbraw/zinc/05/93/36/572059336.db2.gz PPXBOUCWQTYWFJ-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@H](CC[NH3+])[N@H+]1C[C@@H](C)C[C@@H](C)C1 36677491 572059483 /nfs/dbraw/zinc/05/94/83/572059483.db2.gz IVUQZXNSGCKQPE-GRYCIOLGSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]([N@@H+](C)[C@@H]1CCC[C@@H]1N)C(C)(C)C 42747445 572059888 /nfs/dbraw/zinc/05/98/88/572059888.db2.gz SEXRNKGMQCSJCN-GARJFASQSA-N 2 1 198.354 2.233 10 0 AEAEMP C[C@H](N(C)[C@@H]1CCC[C@@H]1[NH3+])C(C)(C)C 42747445 572059892 /nfs/dbraw/zinc/05/98/92/572059892.db2.gz SEXRNKGMQCSJCN-GARJFASQSA-N 2 1 198.354 2.233 10 0 AEAEMP CCCCC[N@H+]1CCC[C@@H]1CCC[NH3+] 82596597 572059910 /nfs/dbraw/zinc/05/99/10/572059910.db2.gz NAVUUMGYQYCRIJ-LBPRGKRZSA-N 2 1 198.354 2.380 10 0 AEAEMP CC[C@H](C)C[N@H+]1CCC[C@@H]1CCC[NH3+] 82596642 572060111 /nfs/dbraw/zinc/06/01/11/572060111.db2.gz QTIJLEOQMHTOPL-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@@H](CC[NH3+])n1cc[nH+]c1C(C)C 36677999 572060652 /nfs/dbraw/zinc/06/06/52/572060652.db2.gz SIYDEIRGYUGFBQ-JTQLQIEISA-N 2 1 195.310 2.306 10 0 AEAEMP CC[C@H](C)[N@@H+](CCC[NH3+])C1CCCC1 36732203 572061913 /nfs/dbraw/zinc/06/19/13/572061913.db2.gz HFNQRPDVNQSVQW-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CC[N@@H+](CCC[NH3+])CC1CCCCC1 36731772 572062221 /nfs/dbraw/zinc/06/22/21/572062221.db2.gz VYPKJADAMCHDRQ-UHFFFAOYSA-N 2 1 198.354 2.237 10 0 AEAEMP CC(C)CC[N@@H+](CCC[NH3+])C(C)C 36731975 572063104 /nfs/dbraw/zinc/06/31/04/572063104.db2.gz GKMMOKCWQUPCLB-UHFFFAOYSA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@H](CC[NH3+])[N@@H+](C)[C@@H](C)C(C)C 36786676 572064126 /nfs/dbraw/zinc/06/41/26/572064126.db2.gz NVSZWFPPVBASSE-WDEREUQCSA-N 2 1 186.343 2.090 10 0 AEAEMP CC[C@@H](CC[NH3+])[N@@H+](C)[C@@H](C)C(C)C 36786675 572064168 /nfs/dbraw/zinc/06/41/68/572064168.db2.gz NVSZWFPPVBASSE-QWRGUYRKSA-N 2 1 186.343 2.090 10 0 AEAEMP C[C@@H](C1CC1)[N@@H+](C)CCCCCC[NH3+] 36785628 572064296 /nfs/dbraw/zinc/06/42/96/572064296.db2.gz ZRQGZWAZUPFGRU-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCC(CC)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 36789297 572064548 /nfs/dbraw/zinc/06/45/48/572064548.db2.gz FHYXJOFIPYGERE-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 36786628 572064807 /nfs/dbraw/zinc/06/48/07/572064807.db2.gz YZRTWVJZBRGJTK-QJPTWQEYSA-N 2 1 198.354 2.090 10 0 AEAEMP CCC(CC)[N@@H+](C)CC1CC[NH2+]CC1 36789291 572064927 /nfs/dbraw/zinc/06/49/27/572064927.db2.gz NFSRPHXSFAOZDR-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@@H](CC)CC[NH3+] 36788585 572065285 /nfs/dbraw/zinc/06/52/85/572065285.db2.gz IMQGTLYDWXWYLY-NSHDSACASA-N 2 1 186.343 2.234 10 0 AEAEMP CN[C@H](C)[C@@H]1CCCC[N@H+]1CC(C)C 82646923 572065776 /nfs/dbraw/zinc/06/57/76/572065776.db2.gz HHQIAXJAYJCRTH-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 36788556 572066077 /nfs/dbraw/zinc/06/60/77/572066077.db2.gz INPXVYWEPZZFBM-ZYHUDNBSSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1CC 82647156 572066090 /nfs/dbraw/zinc/06/60/90/572066090.db2.gz AZZGWNWUGZMOHQ-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1CC 82647156 572066092 /nfs/dbraw/zinc/06/60/92/572066092.db2.gz AZZGWNWUGZMOHQ-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+](C)[C@@H](C)C(C)C 36787473 572066653 /nfs/dbraw/zinc/06/66/53/572066653.db2.gz PDUNXHUSIKMOIS-UWVGGRQHSA-N 2 1 199.342 2.067 10 0 AEAEMP CN[C@H](C)[C@H]1CCCC[N@H+]1CC(C)C 82646922 572066766 /nfs/dbraw/zinc/06/67/66/572066766.db2.gz HHQIAXJAYJCRTH-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1CC 82647158 572066839 /nfs/dbraw/zinc/06/68/39/572066839.db2.gz AZZGWNWUGZMOHQ-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1CC 82647158 572066842 /nfs/dbraw/zinc/06/68/42/572066842.db2.gz AZZGWNWUGZMOHQ-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@H](C)[C@H]1CCCC[N@H+]1CC 82647159 572067252 /nfs/dbraw/zinc/06/72/52/572067252.db2.gz AZZGWNWUGZMOHQ-VXGBXAGGSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H](CC(N)=[NH2+])[N@@H+](C)[C@@H](C)C(C)C 36787474 572067049 /nfs/dbraw/zinc/06/70/49/572067049.db2.gz PDUNXHUSIKMOIS-VHSXEESVSA-N 2 1 199.342 2.067 10 0 AEAEMP CCC[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1CC 82647159 572067249 /nfs/dbraw/zinc/06/72/49/572067249.db2.gz AZZGWNWUGZMOHQ-VXGBXAGGSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)[N@H+]1CCCC[C@@H]1[C@@H](C)NC 82646988 572067461 /nfs/dbraw/zinc/06/74/61/572067461.db2.gz GTVDOASYEXQRBE-IJLUTSLNSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC(CC)[N@@H+](C)C[C@H]1CCC[NH2+]C1 36789298 572067636 /nfs/dbraw/zinc/06/76/36/572067636.db2.gz FHYXJOFIPYGERE-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@H](CC)CC[NH3+] 36788586 572067930 /nfs/dbraw/zinc/06/79/30/572067930.db2.gz IMQGTLYDWXWYLY-LLVKDONJSA-N 2 1 186.343 2.234 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 36788557 572068025 /nfs/dbraw/zinc/06/80/25/572068025.db2.gz INPXVYWEPZZFBM-PWSUYJOCSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@H](C1CC1)[N@@H+](C)CCCCCC[NH3+] 36785629 572068062 /nfs/dbraw/zinc/06/80/62/572068062.db2.gz ZRQGZWAZUPFGRU-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H](C)NC 82646989 572068570 /nfs/dbraw/zinc/06/85/70/572068570.db2.gz GTVDOASYEXQRBE-QJPTWQEYSA-N 2 1 198.354 2.247 10 0 AEAEMP C[C@H]1C[C@H]1C[N@H+](C)CCCC[C@@H](C)[NH3+] 82648364 572068633 /nfs/dbraw/zinc/06/86/33/572068633.db2.gz AWVYKZKFHNLQRA-TUAOUCFPSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 36790003 572068677 /nfs/dbraw/zinc/06/86/77/572068677.db2.gz SVWQCQQAABNTSR-QJPTWQEYSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1CC 82647157 572068786 /nfs/dbraw/zinc/06/87/86/572068786.db2.gz AZZGWNWUGZMOHQ-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1CC 82647157 572068789 /nfs/dbraw/zinc/06/87/89/572068789.db2.gz AZZGWNWUGZMOHQ-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)[C@@H](CC)CC(N)=[NH2+] 36790839 572069032 /nfs/dbraw/zinc/06/90/32/572069032.db2.gz MRVZJMRLEZBRMG-UWVGGRQHSA-N 2 1 199.342 2.211 10 0 AEAEMP CCCC[N@H+]1CCCC[C@H]1[C@@H](C)NC 82646919 572069186 /nfs/dbraw/zinc/06/91/86/572069186.db2.gz RHFWYYGXDPTQEN-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H](N)C[N@@H+](CC)C1CCCCC1 36871987 572069187 /nfs/dbraw/zinc/06/91/87/572069187.db2.gz KWQDGQOLEUAVRS-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCC[NH3+] 82657651 572070149 /nfs/dbraw/zinc/07/01/49/572070149.db2.gz BJACJOHXRPRTID-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)[C@@H](CC)CC(N)=[NH2+] 36790837 572070385 /nfs/dbraw/zinc/07/03/85/572070385.db2.gz MRVZJMRLEZBRMG-ZJUUUORDSA-N 2 1 199.342 2.211 10 0 AEAEMP CC[NH2+]C[C@H]1CCC[N@H+]([C@H](C)CC)C1 82651685 572070575 /nfs/dbraw/zinc/07/05/75/572070575.db2.gz WUFFSLSWIFNNHZ-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651200 572070714 /nfs/dbraw/zinc/07/07/14/572070714.db2.gz DBQGIORKUDUUEP-SRVKXCTJSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CCCCCC[NH3+] 82651228 572070744 /nfs/dbraw/zinc/07/07/44/572070744.db2.gz HRXCLGNMDVPIOW-NWDGAFQWSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC[NH3+] 82657650 572070912 /nfs/dbraw/zinc/07/09/12/572070912.db2.gz BJACJOHXRPRTID-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)[C@@H](CC)CC[NH3+] 36790050 572071307 /nfs/dbraw/zinc/07/13/07/572071307.db2.gz PIXNJUIHHZIMNP-MNOVXSKESA-N 2 1 186.343 2.234 10 0 AEAEMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCC[NH3+] 82657652 572071083 /nfs/dbraw/zinc/07/10/83/572071083.db2.gz BJACJOHXRPRTID-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)CC)C1 82651686 572071544 /nfs/dbraw/zinc/07/15/44/572071544.db2.gz WUFFSLSWIFNNHZ-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCCCCC[NH3+] 82651227 572071583 /nfs/dbraw/zinc/07/15/83/572071583.db2.gz HRXCLGNMDVPIOW-VXGBXAGGSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CCC[NH3+] 82657653 572071682 /nfs/dbraw/zinc/07/16/82/572071682.db2.gz BJACJOHXRPRTID-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651201 572072081 /nfs/dbraw/zinc/07/20/81/572072081.db2.gz DBQGIORKUDUUEP-SDDRHHMPSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@@H](N)C[N@@H+](CC)C1CCCCC1 36871988 572072301 /nfs/dbraw/zinc/07/23/01/572072301.db2.gz KWQDGQOLEUAVRS-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@H]1C[C@H]1C[N@@H+](C)CCCCCC[NH3+] 82651230 572072756 /nfs/dbraw/zinc/07/27/56/572072756.db2.gz HRXCLGNMDVPIOW-RYUDHWBXSA-N 2 1 198.354 2.093 10 0 AEAEMP CCCCC[N@@H+](C)C[C@H]([NH3+])CCC 36873650 572073301 /nfs/dbraw/zinc/07/33/01/572073301.db2.gz XJDCGVZGDGCTRR-LLVKDONJSA-N 2 1 186.343 2.236 10 0 AEAEMP CC(C)c1c[nH]c(CCCCC[NH3+])[nH+]1 36876766 572073622 /nfs/dbraw/zinc/07/36/22/572073622.db2.gz KSEXYGOQLCQONZ-UHFFFAOYSA-N 2 1 195.310 2.205 10 0 AEAEMP CCCCC[N@@H+](C)C[C@@H]([NH3+])CCC 36873651 572075894 /nfs/dbraw/zinc/07/58/94/572075894.db2.gz XJDCGVZGDGCTRR-NSHDSACASA-N 2 1 186.343 2.236 10 0 AEAEMP CCC(CC)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 82633099 572076754 /nfs/dbraw/zinc/07/67/54/572076754.db2.gz PRNLPMJWLDFSDF-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC(CC)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 82630943 572076850 /nfs/dbraw/zinc/07/68/50/572076850.db2.gz AHBJPHYGGBBDRG-CMPLNLGQSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC(CC)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 82633102 572076982 /nfs/dbraw/zinc/07/69/82/572076982.db2.gz PRNLPMJWLDFSDF-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC(CC)[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 82630944 572077001 /nfs/dbraw/zinc/07/70/01/572077001.db2.gz AHBJPHYGGBBDRG-PWSUYJOCSA-N 2 1 198.354 2.153 10 0 AEAEMP CCCC[N@@H+](CC)[C@@H](CC)CC[NH3+] 36986757 572078080 /nfs/dbraw/zinc/07/80/80/572078080.db2.gz RESXQVGEOYNMGM-NSHDSACASA-N 2 1 186.343 2.236 10 0 AEAEMP CCCC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 36997056 572078084 /nfs/dbraw/zinc/07/80/84/572078084.db2.gz KRCFFUUODUZYFF-NWDGAFQWSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC(CC)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 82630942 572077469 /nfs/dbraw/zinc/07/74/69/572077469.db2.gz AHBJPHYGGBBDRG-ZYHUDNBSSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC(CC)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 82630945 572077723 /nfs/dbraw/zinc/07/77/23/572077723.db2.gz AHBJPHYGGBBDRG-JQWIXIFHSA-N 2 1 198.354 2.153 10 0 AEAEMP CCCC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 36997055 572078174 /nfs/dbraw/zinc/07/81/74/572078174.db2.gz KRCFFUUODUZYFF-VXGBXAGGSA-N 2 1 196.338 2.003 10 0 AEAEMP CCCC[N@@H+](CC)[C@@H](CC)CC(N)=[NH2+] 36986979 572079334 /nfs/dbraw/zinc/07/93/34/572079334.db2.gz GSZUVAAJKDCUTD-JTQLQIEISA-N 2 1 199.342 2.213 10 0 AEAEMP CCCC[N@@H+](CC)[C@H](CC)CC[NH3+] 36986758 572079617 /nfs/dbraw/zinc/07/96/17/572079617.db2.gz RESXQVGEOYNMGM-LLVKDONJSA-N 2 1 186.343 2.236 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666716 572079686 /nfs/dbraw/zinc/07/96/86/572079686.db2.gz UPBMZAZKMCGPFC-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82645626 572080419 /nfs/dbraw/zinc/08/04/19/572080419.db2.gz XWBZBTUPGYJCRV-UTUOFQBUSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666711 572080135 /nfs/dbraw/zinc/08/01/35/572080135.db2.gz OUTXAGKMMFXXRZ-GFCCVEGCSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@@H+](C1CC1)[C@@H]1CCC[NH2+]CC1 82669167 572081844 /nfs/dbraw/zinc/08/18/44/572081844.db2.gz DZFUALWGDBPIKN-LLVKDONJSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 82669169 572082533 /nfs/dbraw/zinc/08/25/33/572082533.db2.gz VQIGXOXZKHIURT-GFCCVEGCSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 82669165 572082551 /nfs/dbraw/zinc/08/25/51/572082551.db2.gz FBPUPOBYAOGMGR-VXGBXAGGSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 82669166 572082602 /nfs/dbraw/zinc/08/26/02/572082602.db2.gz FBPUPOBYAOGMGR-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[N@H+](C)CC[C@H]([NH3+])c1ccccc1 37078994 572082885 /nfs/dbraw/zinc/08/28/85/572082885.db2.gz WUZAHGHHJIYSMZ-LBPRGKRZSA-N 2 1 192.306 2.028 10 0 AEAEMP CC[N@@H+](C)CC[C@H]([NH3+])c1ccccc1 37078994 572082889 /nfs/dbraw/zinc/08/28/89/572082889.db2.gz WUZAHGHHJIYSMZ-LBPRGKRZSA-N 2 1 192.306 2.028 10 0 AEAEMP CC[N@H+](C)CC[C@@H]([NH3+])c1ccccc1 37078995 572083301 /nfs/dbraw/zinc/08/33/01/572083301.db2.gz WUZAHGHHJIYSMZ-GFCCVEGCSA-N 2 1 192.306 2.028 10 0 AEAEMP CC[N@@H+](C)CC[C@@H]([NH3+])c1ccccc1 37078995 572083303 /nfs/dbraw/zinc/08/33/03/572083303.db2.gz WUZAHGHHJIYSMZ-GFCCVEGCSA-N 2 1 192.306 2.028 10 0 AEAEMP CCC[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 82669170 572083318 /nfs/dbraw/zinc/08/33/18/572083318.db2.gz VQIGXOXZKHIURT-LBPRGKRZSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@@H+](C1CC1)[C@H]1CCC[NH2+]CC1 82669168 572083793 /nfs/dbraw/zinc/08/37/93/572083793.db2.gz DZFUALWGDBPIKN-NSHDSACASA-N 2 1 196.338 2.003 10 0 AEAEMP CCCC[C@H](C)C[NH2+]CC[NH2+]C1CC1 300932293 572084906 /nfs/dbraw/zinc/08/49/06/572084906.db2.gz MRRQOSOAXCYSSJ-NSHDSACASA-N 2 1 198.354 2.154 10 0 AEAEMP CCCC[C@@H](C)C[NH2+]CC[NH2+]C1CC1 300932289 572085619 /nfs/dbraw/zinc/08/56/19/572085619.db2.gz MRRQOSOAXCYSSJ-LLVKDONJSA-N 2 1 198.354 2.154 10 0 AEAEMP CC[C@@H](C)[C@@H]([NH3+])CN(C)C1CCCC1 37092894 572085921 /nfs/dbraw/zinc/08/59/21/572085921.db2.gz UDJITBZZAHNSPF-PWSUYJOCSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@H]1CCCCN1C[C@H]([NH3+])C(C)C 37083500 572086315 /nfs/dbraw/zinc/08/63/15/572086315.db2.gz FEGZDYUOEKOUBU-RYUDHWBXSA-N 2 1 198.354 2.234 10 0 AEAEMP C[N@@H+](CCC(C)(C)C)CC1CC([NH3+])C1 84984625 572087708 /nfs/dbraw/zinc/08/77/08/572087708.db2.gz KTQIAQBZPXUBQR-UHFFFAOYSA-N 2 1 198.354 2.092 10 0 AEAEMP CCCCCC[C@H](C[NH3+])[N@H+](C)C1CC1 37080786 572086897 /nfs/dbraw/zinc/08/68/97/572086897.db2.gz KCTYPVGHKLEZES-GFCCVEGCSA-N 2 1 198.354 2.378 10 0 AEAEMP CCCCCC[C@H](C[NH3+])[N@@H+](C)C1CC1 37080786 572086900 /nfs/dbraw/zinc/08/69/00/572086900.db2.gz KCTYPVGHKLEZES-GFCCVEGCSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[C@H](C)[C@@H]([NH3+])CN(C)C1CCCC1 37092895 572087001 /nfs/dbraw/zinc/08/70/01/572087001.db2.gz UDJITBZZAHNSPF-JQWIXIFHSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[N@@H+](C(C)C)[C@H](CN)c1ccco1 37081994 572087069 /nfs/dbraw/zinc/08/70/69/572087069.db2.gz RKBZZZNXVLFZSA-SNVBAGLBSA-N 2 1 196.294 2.010 10 0 AEAEMP CC[C@@H](C)[C@H]([NH3+])CN(C)C1CCCC1 37092892 572087158 /nfs/dbraw/zinc/08/71/58/572087158.db2.gz UDJITBZZAHNSPF-ZYHUDNBSSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCCCC[C@@H](C[NH3+])[N@H+](C)C1CC1 37080785 572087556 /nfs/dbraw/zinc/08/75/56/572087556.db2.gz KCTYPVGHKLEZES-LBPRGKRZSA-N 2 1 198.354 2.378 10 0 AEAEMP CCCCCC[C@@H](C[NH3+])[N@@H+](C)C1CC1 37080785 572087559 /nfs/dbraw/zinc/08/75/59/572087559.db2.gz KCTYPVGHKLEZES-LBPRGKRZSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[C@H](C)[C@H]([NH3+])CN(C)C1CCCC1 37092893 572088032 /nfs/dbraw/zinc/08/80/32/572088032.db2.gz UDJITBZZAHNSPF-CMPLNLGQSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@@H]1CCCCN1C[C@H]([NH3+])C(C)C 37083499 572088128 /nfs/dbraw/zinc/08/81/28/572088128.db2.gz FEGZDYUOEKOUBU-NEPJUHHUSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCCCC[N@@H+](C)CC1CC([NH3+])C1 84984566 572088479 /nfs/dbraw/zinc/08/84/79/572088479.db2.gz HKALEGYBUYABSE-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)C[N@@H+](C)CC1CC([NH3+])C1 84984882 572089095 /nfs/dbraw/zinc/08/90/95/572089095.db2.gz OLWCTJHXMVKVCQ-VOMCLLRMSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[N@@H+](CC)CC[C@@H]1CCCC[NH2+]1 37095166 572089141 /nfs/dbraw/zinc/08/91/41/572089141.db2.gz MRAJNVDEZGFGMZ-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C(C)C 37096357 572089691 /nfs/dbraw/zinc/08/96/91/572089691.db2.gz ARAIYHRGKKZYCU-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[N@@H+](C(C)C)[C@@H]1CCCC[C@@H]1N 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CCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] 37159532 572102782 /nfs/dbraw/zinc/10/27/82/572102782.db2.gz QQRQZAHNFJTHIB-IJLUTSLNSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)CC)C1 37159124 572102793 /nfs/dbraw/zinc/10/27/93/572102793.db2.gz BTEWHMPBXCEUNK-IJLUTSLNSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@@H](CC(N)=[NH2+])[N@H+](C)C[C@H](C)CC 37173352 572103726 /nfs/dbraw/zinc/10/37/26/572103726.db2.gz NXOJRUWTWFGPQJ-ZJUUUORDSA-N 2 1 199.342 2.069 10 0 AEAEMP CC[C@H](C)C[N@@H+](C)[C@@H](CC)CC(N)=[NH2+] 37173353 572104067 /nfs/dbraw/zinc/10/40/67/572104067.db2.gz NXOJRUWTWFGPQJ-UWVGGRQHSA-N 2 1 199.342 2.069 10 0 AEAEMP CC(C)[N@H+](CC1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801980 572105311 /nfs/dbraw/zinc/10/53/11/572105311.db2.gz GMFQCEHCICMHBN-MNOVXSKESA-N 2 1 198.354 2.233 10 0 AEAEMP CC(C)[N@H+](CC1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801981 572105354 /nfs/dbraw/zinc/10/53/54/572105354.db2.gz GMFQCEHCICMHBN-GHMZBOCLSA-N 2 1 198.354 2.233 10 0 AEAEMP CC[C@H](C)[N@@H+](C)CCC1([NH3+])CCCC1 82772905 572107478 /nfs/dbraw/zinc/10/74/78/572107478.db2.gz MLZQSMASGWSHTI-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP C[N@@H+](CCC(C)(C)[NH3+])C1CCCCC1 82772841 572106705 /nfs/dbraw/zinc/10/67/05/572106705.db2.gz DEUVQFSPWWKNIT-UHFFFAOYSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[N@@H+](CCC1([NH3+])CCCC1)C(C)C 82772879 572107177 /nfs/dbraw/zinc/10/71/77/572107177.db2.gz LWAWEWVNVSQELQ-UHFFFAOYSA-N 2 1 198.354 2.378 10 0 AEAEMP CCCCC[N@@H+](C)CCC(C)(C)[NH3+] 82772920 572107190 /nfs/dbraw/zinc/10/71/90/572107190.db2.gz JPFPDLHTGKHJHD-UHFFFAOYSA-N 2 1 186.343 2.236 10 0 AEAEMP CC[C@@H](C)[N@@H+](CC)CCC(C)(C)[NH3+] 82772915 572107245 /nfs/dbraw/zinc/10/72/45/572107245.db2.gz VVZXSKKBXPCIEO-SNVBAGLBSA-N 2 1 186.343 2.234 10 0 AEAEMP CC[C@H]1CCCC[N@H+]1CCC(C)(C)[NH3+] 82772885 572107213 /nfs/dbraw/zinc/10/72/13/572107213.db2.gz ZBKAXEZZELRWEJ-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CC(C)[N@@H+](C)CCC1([NH3+])CCCCC1 82772844 572107304 /nfs/dbraw/zinc/10/73/04/572107304.db2.gz GCIAARWAWLLWDZ-UHFFFAOYSA-N 2 1 198.354 2.378 10 0 AEAEMP CC(C)C[N@@H+](C)CCC1([NH3+])CCCC1 82772901 572107404 /nfs/dbraw/zinc/10/74/04/572107404.db2.gz HDEUKLYUEQKJBX-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@@H]1CCC[N@@H+](CCC(C)(C)[NH3+])C1 82772987 572107437 /nfs/dbraw/zinc/10/74/37/572107437.db2.gz QFFTZHYJNHHWAW-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@@H+](CCC(C)(C)[NH3+])C1CCCC1 82772944 572107554 /nfs/dbraw/zinc/10/75/54/572107554.db2.gz LXZPAULJZJFRRL-UHFFFAOYSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[N@@H+](C)CCC1([NH3+])CCCCC1 82772900 572107722 /nfs/dbraw/zinc/10/77/22/572107722.db2.gz UQQAXHFWOUWUNX-UHFFFAOYSA-N 2 1 198.354 2.380 10 0 AEAEMP CC[C@@H](C)C[N@@H+](C)CCC(C)(C)[NH3+] 82772924 572107952 /nfs/dbraw/zinc/10/79/52/572107952.db2.gz ICCFKVDPHNSNJC-SNVBAGLBSA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@@H]1CCCC[N@H+]1CCC(C)(C)[NH3+] 82772884 572107976 /nfs/dbraw/zinc/10/79/76/572107976.db2.gz ZBKAXEZZELRWEJ-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CC(C)[C@H](C)[N@@H+](C)CCC(C)(C)[NH3+] 82772971 572108131 /nfs/dbraw/zinc/10/81/31/572108131.db2.gz OJHVIYGATYRSSS-JTQLQIEISA-N 2 1 186.343 2.090 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CCC(C)(C)[NH3+] 82772980 572108303 /nfs/dbraw/zinc/10/83/03/572108303.db2.gz WSRXWZGWEZSEDE-JTQLQIEISA-N 2 1 186.343 2.234 10 0 AEAEMP CC[N@@H+](CCC(C)(C)[NH3+])CC(C)C 82772911 572108371 /nfs/dbraw/zinc/10/83/71/572108371.db2.gz CMYCHRIJGJBHKP-UHFFFAOYSA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[N@@H+](CC)CCC1([NH3+])CCCC1 82772889 572108517 /nfs/dbraw/zinc/10/85/17/572108517.db2.gz BRJZWESQEWJOSZ-UHFFFAOYSA-N 2 1 198.354 2.380 10 0 AEAEMP CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 37209318 572108607 /nfs/dbraw/zinc/10/86/07/572108607.db2.gz UNQANEPJGBBORS-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)CC[N@@H+](C)CCC(C)(C)[NH3+] 82773122 572108704 /nfs/dbraw/zinc/10/87/04/572108704.db2.gz DTDZFJVLGGSUQH-UHFFFAOYSA-N 2 1 186.343 2.092 10 0 AEAEMP CC[N@@H+](CCC1([NH3+])CCCC1)C1CC1 82772873 572108763 /nfs/dbraw/zinc/10/87/63/572108763.db2.gz HLHAUTSQWVTPDQ-UHFFFAOYSA-N 2 1 196.338 2.132 10 0 AEAEMP CC[C@@H](C)[N@@H+](C)CCC1([NH3+])CCCC1 82772904 572108776 /nfs/dbraw/zinc/10/87/76/572108776.db2.gz MLZQSMASGWSHTI-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CC(C)[N@@H+](CCC(C)(C)[NH3+])CC1CC1 82773220 572108786 /nfs/dbraw/zinc/10/87/86/572108786.db2.gz JFDPORQRNJCPIF-UHFFFAOYSA-N 2 1 198.354 2.234 10 0 AEAEMP C[N@@H+](CCC1([NH3+])CCCCC1)C1CC1 82772878 572109241 /nfs/dbraw/zinc/10/92/41/572109241.db2.gz KZCVZXMRCFIFGE-UHFFFAOYSA-N 2 1 196.338 2.132 10 0 AEAEMP CCC[N@@H+](CCC(C)(C)[NH3+])C(C)C 82772893 572108972 /nfs/dbraw/zinc/10/89/72/572108972.db2.gz CJPPYMFPURSENL-UHFFFAOYSA-N 2 1 186.343 2.234 10 0 AEAEMP CCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C)C1 37209321 572109088 /nfs/dbraw/zinc/10/90/88/572109088.db2.gz UNQANEPJGBBORS-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C)C1 37209320 572109154 /nfs/dbraw/zinc/10/91/54/572109154.db2.gz UNQANEPJGBBORS-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 37264975 572109313 /nfs/dbraw/zinc/10/93/13/572109313.db2.gz YTYHGWMUBDTVFW-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)C[N@@H+](CCC(C)(C)[NH3+])C1CC1 82773210 572109260 /nfs/dbraw/zinc/10/92/60/572109260.db2.gz YELBANJJSKYGKV-UHFFFAOYSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 37264975 572109315 /nfs/dbraw/zinc/10/93/15/572109315.db2.gz YTYHGWMUBDTVFW-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 37264974 572109326 /nfs/dbraw/zinc/10/93/26/572109326.db2.gz YTYHGWMUBDTVFW-NWDGAFQWSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 37264974 572109328 /nfs/dbraw/zinc/10/93/28/572109328.db2.gz YTYHGWMUBDTVFW-NWDGAFQWSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[C@@H](C)[N@@H+](C)CCC(C)(C)[NH3+] 82772970 572109441 /nfs/dbraw/zinc/10/94/41/572109441.db2.gz OJHVIYGATYRSSS-SNVBAGLBSA-N 2 1 186.343 2.090 10 0 AEAEMP CC[C@H](C)[N@@H+](CC)CCC(C)(C)[NH3+] 82772916 572109734 /nfs/dbraw/zinc/10/97/34/572109734.db2.gz VVZXSKKBXPCIEO-JTQLQIEISA-N 2 1 186.343 2.234 10 0 AEAEMP C[N@@H+](CCC(C)(C)[NH3+])CC1CCCC1 82773423 572109852 /nfs/dbraw/zinc/10/98/52/572109852.db2.gz MBFHJBWVYKUMFD-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC(CC)[N@@H+](C)CCC(C)(C)[NH3+] 82772975 572109877 /nfs/dbraw/zinc/10/98/77/572109877.db2.gz ZHXRQKFSVOUTJW-UHFFFAOYSA-N 2 1 186.343 2.234 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CCC(C)(C)[NH3+] 82772979 572109941 /nfs/dbraw/zinc/10/99/41/572109941.db2.gz WSRXWZGWEZSEDE-SNVBAGLBSA-N 2 1 186.343 2.234 10 0 AEAEMP CCCC[N@@H+](CCC(C)(C)[NH3+])C1CC1 82773149 572109985 /nfs/dbraw/zinc/10/99/85/572109985.db2.gz SKTQRYOLYOIHIA-UHFFFAOYSA-N 2 1 198.354 2.378 10 0 AEAEMP CCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 37209319 572109988 /nfs/dbraw/zinc/10/99/88/572109988.db2.gz UNQANEPJGBBORS-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H](C)C[N@@H+](C)CCC(C)(C)[NH3+] 82772925 572110062 /nfs/dbraw/zinc/11/00/62/572110062.db2.gz ICCFKVDPHNSNJC-JTQLQIEISA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@H]1CCC[N@@H+](CCC(C)(C)[NH3+])C1 82772988 572110086 /nfs/dbraw/zinc/11/00/86/572110086.db2.gz QFFTZHYJNHHWAW-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[N@@H+](C)CCC1([NH3+])CCCC1 82777055 572110314 /nfs/dbraw/zinc/11/03/14/572110314.db2.gz PDXVZKDJOKRQBT-UHFFFAOYSA-N 2 1 198.354 2.380 10 0 AEAEMP CC[NH2+]CC[NH2+]CCCC(C)(C)C 300942259 572110911 /nfs/dbraw/zinc/11/09/11/572110911.db2.gz WFQDQNHQMBDSJH-UHFFFAOYSA-N 2 1 186.343 2.012 10 0 AEAEMP C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCCCCC1 235142881 572113213 /nfs/dbraw/zinc/11/32/13/572113213.db2.gz JZYUILGYGLRFQB-QWRGUYRKSA-N 2 1 198.354 2.282 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)[NH2+]C 82801588 572115709 /nfs/dbraw/zinc/11/57/09/572115709.db2.gz DODXKPPMZLPCAA-GRYCIOLGSA-N 2 1 198.354 2.247 10 0 AEAEMP CCCCC[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801312 572115690 /nfs/dbraw/zinc/11/56/90/572115690.db2.gz XCCAFDZSNMMYSO-MNOVXSKESA-N 2 1 186.343 2.234 10 0 AEAEMP C[NH2+][C@H](C)C[C@H](C)[N@H+]1CCCC[C@H]1C 82800879 572115813 /nfs/dbraw/zinc/11/58/13/572115813.db2.gz TXPBSBPWBCDORB-UTUOFQBUSA-N 2 1 198.354 2.247 10 0 AEAEMP C[C@@H](C[C@@H](C)[NH3+])[N@@H+](C)C1CCCCC1 82801011 572115879 /nfs/dbraw/zinc/11/58/79/572115879.db2.gz JQHHBKNQIGHTEA-MNOVXSKESA-N 2 1 198.354 2.377 10 0 AEAEMP CC(C)C[N@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801954 572115897 /nfs/dbraw/zinc/11/58/97/572115897.db2.gz RSJDNUGVTZJHQT-MNOVXSKESA-N 2 1 198.354 2.233 10 0 AEAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801472 572116405 /nfs/dbraw/zinc/11/64/05/572116405.db2.gz LOVKGRSWWQPNGE-VWYCJHECSA-N 2 1 186.343 2.089 10 0 AEAEMP CC[NH2+][C@H](C)C[C@H](C)[N@H+]1CC[C@H](C)C1 82801621 572116026 /nfs/dbraw/zinc/11/60/26/572116026.db2.gz UDGXEWQAVZKDQW-TUAOUCFPSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[C@@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801471 572116257 /nfs/dbraw/zinc/11/62/57/572116257.db2.gz LOVKGRSWWQPNGE-OUAUKWLOSA-N 2 1 186.343 2.089 10 0 AEAEMP CC[NH2+][C@H](C)C[C@H](C)[N@@H+](C)CC1CC1 82801597 572116272 /nfs/dbraw/zinc/11/62/72/572116272.db2.gz CUDQCMCORPWRCY-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CCCC[N@@H+](CC)[C@H](C)C[C@@H](C)[NH3+] 82801067 572116327 /nfs/dbraw/zinc/11/63/27/572116327.db2.gz LVMUQJVJXTZJFB-GHMZBOCLSA-N 2 1 186.343 2.234 10 0 AEAEMP CCC[NH2+][C@H](C)C[C@H](C)[N@@H+](C)CC 82801145 572116372 /nfs/dbraw/zinc/11/63/72/572116372.db2.gz XXASESUJGUXVET-MNOVXSKESA-N 2 1 186.343 2.105 10 0 AEAEMP CC[NH2+][C@@H](C)C[C@H](C)[N@@H+](CC)C1CC1 82801160 572116390 /nfs/dbraw/zinc/11/63/90/572116390.db2.gz WCRKZOWTQSNDQK-QWRGUYRKSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)CC1CC1 82801594 572116421 /nfs/dbraw/zinc/11/64/21/572116421.db2.gz CUDQCMCORPWRCY-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H]1CCC[N@H+]([C@@H](C)C[C@@H](C)[NH3+])C1 82801484 572116447 /nfs/dbraw/zinc/11/64/47/572116447.db2.gz PBDQOMHLVRCPJT-WOPDTQHZSA-N 2 1 198.354 2.234 10 0 AEAEMP C[NH2+][C@H](C)C[C@H](C)[N@H+]1CCC[C@H](C)C1 82800943 572116464 /nfs/dbraw/zinc/11/64/64/572116464.db2.gz CBIUNIOBGFQRAX-TUAOUCFPSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)C[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801331 572116633 /nfs/dbraw/zinc/11/66/33/572116633.db2.gz AWJQUPMRCODEHS-AXFHLTTASA-N 2 1 186.343 2.090 10 0 AEAEMP CCC[N@@H+](CC)[C@@H](C)C[C@@H](C)[NH2+]C 82801232 572116593 /nfs/dbraw/zinc/11/65/93/572116593.db2.gz ZHTXGYJIDZYHPJ-MNOVXSKESA-N 2 1 186.343 2.105 10 0 AEAEMP CC[C@@H]1CCC[N@H+]([C@@H](C)C[C@@H](C)[NH3+])C1 82801483 572116663 /nfs/dbraw/zinc/11/66/63/572116663.db2.gz PBDQOMHLVRCPJT-GRYCIOLGSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)CC 82801142 572116826 /nfs/dbraw/zinc/11/68/26/572116826.db2.gz XXASESUJGUXVET-WDEREUQCSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)C1CC1 82801167 572116833 /nfs/dbraw/zinc/11/68/33/572116833.db2.gz CSSLWMIOYXFTGQ-GHMZBOCLSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[C@H](C)[N@@H+](CC)[C@@H](C)C[C@@H](C)[NH3+] 82801305 572116846 /nfs/dbraw/zinc/11/68/46/572116846.db2.gz BWXUGYNNQZBXFB-VWYCJHECSA-N 2 1 186.343 2.233 10 0 AEAEMP CC[C@@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)[NH2+]C 82801284 572116937 /nfs/dbraw/zinc/11/69/37/572116937.db2.gz GSDOUIDSMSGKLZ-MXWKQRLJSA-N 2 1 186.343 2.103 10 0 AEAEMP CC[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)CC1CC1 82801595 572116962 /nfs/dbraw/zinc/11/69/62/572116962.db2.gz CUDQCMCORPWRCY-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@H+](C1CC1)[C@H](C)C[C@@H](C)[NH2+]C 82801253 572116996 /nfs/dbraw/zinc/11/69/96/572116996.db2.gz SQICEXITBVDZJS-GHMZBOCLSA-N 2 1 198.354 2.247 10 0 AEAEMP C[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801459 572117103 /nfs/dbraw/zinc/11/71/03/572117103.db2.gz PQZQYGMVTQPMTR-AXFHLTTASA-N 2 1 198.354 2.103 10 0 AEAEMP CC[NH2+][C@H](C)C[C@@H](C)[N@H+]1CC[C@H](C)C1 82801619 572117153 /nfs/dbraw/zinc/11/71/53/572117153.db2.gz UDGXEWQAVZKDQW-QJPTWQEYSA-N 2 1 198.354 2.105 10 0 AEAEMP C[C@H]([NH3+])C[C@@H](C)[N@@H+](C)C1CCCCC1 82801008 572117207 /nfs/dbraw/zinc/11/72/07/572117207.db2.gz JQHHBKNQIGHTEA-WDEREUQCSA-N 2 1 198.354 2.377 10 0 AEAEMP CC[N@H+](C1CCCC1)[C@H](C)C[C@@H](C)[NH3+] 82801374 572117241 /nfs/dbraw/zinc/11/72/41/572117241.db2.gz IZHVQORITZSXCE-GHMZBOCLSA-N 2 1 198.354 2.377 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801479 572117278 /nfs/dbraw/zinc/11/72/78/572117278.db2.gz JSDLFSMZJPALCP-VWYCJHECSA-N 2 1 186.343 2.233 10 0 AEAEMP C[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)C1CCCC1 82801220 572117306 /nfs/dbraw/zinc/11/73/06/572117306.db2.gz KRJPQFUGXYJUAS-WDEREUQCSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[N@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH2+]C 82801252 572117319 /nfs/dbraw/zinc/11/73/19/572117319.db2.gz SQICEXITBVDZJS-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP CCCC[N@@H+](C)[C@H](C)C[C@@H](C)[NH2+]C 82801059 572117348 /nfs/dbraw/zinc/11/73/48/572117348.db2.gz XGVPBKGJEHGURO-GHMZBOCLSA-N 2 1 186.343 2.105 10 0 AEAEMP CC[C@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)[NH2+]C 82801285 572117364 /nfs/dbraw/zinc/11/73/64/572117364.db2.gz GSDOUIDSMSGKLZ-VWYCJHECSA-N 2 1 186.343 2.103 10 0 AEAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C1CCCC1 82801223 572117382 /nfs/dbraw/zinc/11/73/82/572117382.db2.gz KRJPQFUGXYJUAS-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP CCCC[N@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801828 572117446 /nfs/dbraw/zinc/11/74/46/572117446.db2.gz IKCSRCPVNYUZAD-MNOVXSKESA-N 2 1 198.354 2.377 10 0 AEAEMP CCC[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C1CC1 82801169 572117496 /nfs/dbraw/zinc/11/74/96/572117496.db2.gz CSSLWMIOYXFTGQ-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP CCCCC[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801313 572117506 /nfs/dbraw/zinc/11/75/06/572117506.db2.gz XCCAFDZSNMMYSO-GHMZBOCLSA-N 2 1 186.343 2.234 10 0 AEAEMP CC[C@@H](C)C[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801330 572117523 /nfs/dbraw/zinc/11/75/23/572117523.db2.gz AWJQUPMRCODEHS-MXWKQRLJSA-N 2 1 186.343 2.090 10 0 AEAEMP CC[C@@H]1CCCC[N@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82801200 572117559 /nfs/dbraw/zinc/11/75/59/572117559.db2.gz JHZRPJHCDQHLCJ-GRYCIOLGSA-N 2 1 198.354 2.377 10 0 AEAEMP CCC[N@@H+](CC)[C@H](C)C[C@@H](C)[NH2+]C 82801233 572117583 /nfs/dbraw/zinc/11/75/83/572117583.db2.gz ZHTXGYJIDZYHPJ-GHMZBOCLSA-N 2 1 186.343 2.105 10 0 AEAEMP CC(C)CC[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801707 572117677 /nfs/dbraw/zinc/11/76/77/572117677.db2.gz YQMRTRBDTWROOE-GHMZBOCLSA-N 2 1 186.343 2.090 10 0 AEAEMP CC[NH2+][C@H](C)C[C@@H](C)[N@@H+](CC)C1CC1 82801159 572117746 /nfs/dbraw/zinc/11/77/46/572117746.db2.gz WCRKZOWTQSNDQK-GHMZBOCLSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[N@H+](C1CCCC1)[C@@H](C)C[C@@H](C)[NH3+] 82801373 572117779 /nfs/dbraw/zinc/11/77/79/572117779.db2.gz IZHVQORITZSXCE-MNOVXSKESA-N 2 1 198.354 2.377 10 0 AEAEMP C[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)C1CCCC1 82801221 572117865 /nfs/dbraw/zinc/11/78/65/572117865.db2.gz KRJPQFUGXYJUAS-GHMZBOCLSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[N@@H+](CC(C)C)[C@@H](C)C[C@@H](C)[NH3+] 82801294 572117894 /nfs/dbraw/zinc/11/78/94/572117894.db2.gz MIGKOFORFBYUTD-MNOVXSKESA-N 2 1 186.343 2.090 10 0 AEAEMP CCC[N@@H+](C(C)C)[C@@H](C)C[C@@H](C)[NH3+] 82801240 572117942 /nfs/dbraw/zinc/11/79/42/572117942.db2.gz BCRCKBGPRQRKJZ-MNOVXSKESA-N 2 1 186.343 2.233 10 0 AEAEMP CC(C)c1[nH+]ccn1[C@H](C)C[C@H](C)[NH3+] 82803679 572120726 /nfs/dbraw/zinc/12/07/26/572120726.db2.gz BUZAAUAOTCHQTE-VHSXEESVSA-N 2 1 195.310 2.305 10 0 AEAEMP C[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801460 572117973 /nfs/dbraw/zinc/11/79/73/572117973.db2.gz PQZQYGMVTQPMTR-MXWKQRLJSA-N 2 1 198.354 2.103 10 0 AEAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+](C)CC(C)(C)C 82802159 572120123 /nfs/dbraw/zinc/12/01/23/572120123.db2.gz DJPABIPDZHKOBN-UWVGGRQHSA-N 2 1 186.343 2.090 10 0 AEAEMP CC[C@@H](C)[N@@H+](CC)[C@@H](C)C[C@@H](C)[NH3+] 82801304 572118043 /nfs/dbraw/zinc/11/80/43/572118043.db2.gz BWXUGYNNQZBXFB-MXWKQRLJSA-N 2 1 186.343 2.233 10 0 AEAEMP CCC[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)CC 82801143 572118072 /nfs/dbraw/zinc/11/80/72/572118072.db2.gz XXASESUJGUXVET-GHMZBOCLSA-N 2 1 186.343 2.105 10 0 AEAEMP CC[C@H]1CCCC[N@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82801201 572118088 /nfs/dbraw/zinc/11/80/88/572118088.db2.gz JHZRPJHCDQHLCJ-WOPDTQHZSA-N 2 1 198.354 2.377 10 0 AEAEMP CC[C@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)[NH2+]C 82801589 572118176 /nfs/dbraw/zinc/11/81/76/572118176.db2.gz DODXKPPMZLPCAA-WOPDTQHZSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)CC1CC1 82801596 572118220 /nfs/dbraw/zinc/11/82/20/572118220.db2.gz CUDQCMCORPWRCY-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@@H+](C)[C@@H](C)C[C@@H](C)[NH2+]CC 82801258 572118268 /nfs/dbraw/zinc/11/82/68/572118268.db2.gz PZCJGZKYMFWUCU-MNOVXSKESA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)CC 82801144 572118241 /nfs/dbraw/zinc/11/82/41/572118241.db2.gz XXASESUJGUXVET-QWRGUYRKSA-N 2 1 186.343 2.105 10 0 AEAEMP C[NH2+][C@H](C)C[C@H](C)[N@H+]1CCCC[C@@H]1C 82800880 572118325 /nfs/dbraw/zinc/11/83/25/572118325.db2.gz TXPBSBPWBCDORB-WOPDTQHZSA-N 2 1 198.354 2.247 10 0 AEAEMP CCCC[N@H+](C1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801829 572118356 /nfs/dbraw/zinc/11/83/56/572118356.db2.gz IKCSRCPVNYUZAD-GHMZBOCLSA-N 2 1 198.354 2.377 10 0 AEAEMP CCC[N@@H+](CC1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801803 572118422 /nfs/dbraw/zinc/11/84/22/572118422.db2.gz RCKMRPWTXYOKSR-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[NH2+][C@@H](C)C[C@@H](C)[N@@H+](CC)C1CC1 82801158 572118433 /nfs/dbraw/zinc/11/84/33/572118433.db2.gz WCRKZOWTQSNDQK-WDEREUQCSA-N 2 1 198.354 2.247 10 0 AEAEMP CCCC[N@@H+](CC)[C@@H](C)C[C@@H](C)[NH3+] 82801066 572118439 /nfs/dbraw/zinc/11/84/39/572118439.db2.gz LVMUQJVJXTZJFB-MNOVXSKESA-N 2 1 186.343 2.234 10 0 AEAEMP C[NH2+][C@H](C)C[C@H](C)[N@H+]1CCC[C@@H](C)C1 82800942 572118506 /nfs/dbraw/zinc/11/85/06/572118506.db2.gz CBIUNIOBGFQRAX-UTUOFQBUSA-N 2 1 198.354 2.105 10 0 AEAEMP C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)C[C@@H](C)[NH3+])C1 82800765 572118517 /nfs/dbraw/zinc/11/85/17/572118517.db2.gz FCLMWXDRKOSLLH-KXNHARMFSA-N 2 1 198.354 2.090 10 0 AEAEMP C[C@@H]([NH3+])C[C@@H](C)[N@@H+](C)C1CCCCC1 82801009 572118547 /nfs/dbraw/zinc/11/85/47/572118547.db2.gz JQHHBKNQIGHTEA-GHMZBOCLSA-N 2 1 198.354 2.377 10 0 AEAEMP CCC[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)C1CC1 82801166 572118555 /nfs/dbraw/zinc/11/85/55/572118555.db2.gz CSSLWMIOYXFTGQ-WDEREUQCSA-N 2 1 198.354 2.247 10 0 AEAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+](C)C1CCCCC1 82801010 572118569 /nfs/dbraw/zinc/11/85/69/572118569.db2.gz JQHHBKNQIGHTEA-QWRGUYRKSA-N 2 1 198.354 2.377 10 0 AEAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801462 572118630 /nfs/dbraw/zinc/11/86/30/572118630.db2.gz PQZQYGMVTQPMTR-VWYCJHECSA-N 2 1 198.354 2.103 10 0 AEAEMP CC[N@@H+](CC(C)C)[C@H](C)C[C@@H](C)[NH3+] 82801295 572118668 /nfs/dbraw/zinc/11/86/68/572118668.db2.gz MIGKOFORFBYUTD-GHMZBOCLSA-N 2 1 186.343 2.090 10 0 AEAEMP C[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)C1CCCC1 82801222 572118684 /nfs/dbraw/zinc/11/86/84/572118684.db2.gz KRJPQFUGXYJUAS-QWRGUYRKSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[N@@H+](C(C)C)[C@H](C)C[C@@H](C)[NH2+]C 82801193 572118722 /nfs/dbraw/zinc/11/87/22/572118722.db2.gz OXOJJKBMDGWYTJ-GHMZBOCLSA-N 2 1 186.343 2.103 10 0 AEAEMP CCCC[N@@H+](C)[C@@H](C)C[C@@H](C)[NH2+]C 82801058 572118754 /nfs/dbraw/zinc/11/87/54/572118754.db2.gz XGVPBKGJEHGURO-MNOVXSKESA-N 2 1 186.343 2.105 10 0 AEAEMP CC[NH2+][C@H](C)C[C@H](C)[N@@H+](CC)C1CC1 82801161 572118907 /nfs/dbraw/zinc/11/89/07/572118907.db2.gz WCRKZOWTQSNDQK-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)C1CC1 82801168 572118924 /nfs/dbraw/zinc/11/89/24/572118924.db2.gz CSSLWMIOYXFTGQ-QWRGUYRKSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[N@@H+](C(C)C)[C@H](C)C[C@@H](C)[NH3+] 82801241 572118935 /nfs/dbraw/zinc/11/89/35/572118935.db2.gz BCRCKBGPRQRKJZ-GHMZBOCLSA-N 2 1 186.343 2.233 10 0 AEAEMP C[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801461 572118976 /nfs/dbraw/zinc/11/89/76/572118976.db2.gz PQZQYGMVTQPMTR-DCAQKATOSA-N 2 1 198.354 2.103 10 0 AEAEMP CCC[N@@H+](C)[C@H](C)C[C@@H](C)[NH2+]CC 82801259 572118991 /nfs/dbraw/zinc/11/89/91/572118991.db2.gz PZCJGZKYMFWUCU-GHMZBOCLSA-N 2 1 186.343 2.105 10 0 AEAEMP CC(C)CC[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801706 572119000 /nfs/dbraw/zinc/11/90/00/572119000.db2.gz YQMRTRBDTWROOE-MNOVXSKESA-N 2 1 186.343 2.090 10 0 AEAEMP CC[N@@H+](C(C)C)[C@@H](C)C[C@@H](C)[NH2+]C 82801192 572119033 /nfs/dbraw/zinc/11/90/33/572119033.db2.gz OXOJJKBMDGWYTJ-MNOVXSKESA-N 2 1 186.343 2.103 10 0 AEAEMP CCC[N@@H+](CC1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801802 572119158 /nfs/dbraw/zinc/11/91/58/572119158.db2.gz RCKMRPWTXYOKSR-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP C[NH2+][C@@H](C)C[C@H](C)[N@H+]1CCCC1(C)C 82802372 572119451 /nfs/dbraw/zinc/11/94/51/572119451.db2.gz AQWBNIPVUBWIJI-QWRGUYRKSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[N@@H+](CC1CC1)[C@H](C)C[C@@H](C)[NH2+]C 82802507 572119501 /nfs/dbraw/zinc/11/95/01/572119501.db2.gz HXZPANMCTIEPPH-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCc1[nH+]ccn1[C@H](C)C[C@H](C)[NH3+] 82803894 572119537 /nfs/dbraw/zinc/11/95/37/572119537.db2.gz HKCCMFWDJUZPLU-VHSXEESVSA-N 2 1 195.310 2.134 10 0 AEAEMP CCc1[nH+]ccn1[C@@H](C)C[C@H](C)[NH2+]C 82803779 572119594 /nfs/dbraw/zinc/11/95/94/572119594.db2.gz SBLHJZKMEGOJNK-UWVGGRQHSA-N 2 1 195.310 2.005 10 0 AEAEMP CC[N@@H+](CC1CC1)[C@@H](C)C[C@@H](C)[NH2+]C 82802506 572119726 /nfs/dbraw/zinc/11/97/26/572119726.db2.gz HXZPANMCTIEPPH-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82802696 572119797 /nfs/dbraw/zinc/11/97/97/572119797.db2.gz GRQBMJPEZTUCRA-ZJUUUORDSA-N 2 1 186.343 2.233 10 0 AEAEMP CCc1[nH+]ccn1[C@H](C)C[C@@H](C)[NH2+]C 82803778 572119896 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/nfs/dbraw/zinc/12/01/59/572120159.db2.gz ZJYHOVFKTGTWSJ-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP C[NH2+][C@@H](C)C[C@@H](C)[N@H+]1CCCC1(C)C 82802370 572120201 /nfs/dbraw/zinc/12/02/01/572120201.db2.gz AQWBNIPVUBWIJI-WDEREUQCSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[NH2+][C@H](C)C[C@@H](C)[N@H+]1CCC[C@@H]1C 82802711 572120219 /nfs/dbraw/zinc/12/02/19/572120219.db2.gz RABRCEFJYOTDPH-GRYCIOLGSA-N 2 1 198.354 2.247 10 0 AEAEMP C[C@H]([NH3+])C[C@@H](C)[N@@H+](C)CC1CCCC1 82802420 572120292 /nfs/dbraw/zinc/12/02/92/572120292.db2.gz ZJYHOVFKTGTWSJ-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@@H]([NH3+])C[C@@H](C)[N@@H+](C)CC(C)(C)C 82802158 572120315 /nfs/dbraw/zinc/12/03/15/572120315.db2.gz DJPABIPDZHKOBN-NXEZZACHSA-N 2 1 186.343 2.090 10 0 AEAEMP CC[NH2+][C@@H](C)C[C@H](C)[N@H+]1CCC[C@@H]1C 82802712 572120370 /nfs/dbraw/zinc/12/03/70/572120370.db2.gz RABRCEFJYOTDPH-SRVKXCTJSA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)C[N@H+](C1CC1)[C@H](C)C[C@@H](C)[NH3+] 82802734 572120402 /nfs/dbraw/zinc/12/04/02/572120402.db2.gz RSJDNUGVTZJHQT-GHMZBOCLSA-N 2 1 198.354 2.233 10 0 AEAEMP CC[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)C(C)C 82802687 572120852 /nfs/dbraw/zinc/12/08/52/572120852.db2.gz NXEPEZFRDDHCOM-GHMZBOCLSA-N 2 1 186.343 2.103 10 0 AEAEMP CC(C)c1[nH+]ccn1[C@H](C)C[C@@H](C)[NH3+] 82803676 572120616 /nfs/dbraw/zinc/12/06/16/572120616.db2.gz BUZAAUAOTCHQTE-NXEZZACHSA-N 2 1 195.310 2.305 10 0 AEAEMP CC[NH2+][C@@H](C)C[C@@H](C)n1cc[nH+]c1C 82803598 572120661 /nfs/dbraw/zinc/12/06/61/572120661.db2.gz BWKPBSPNLXEEHC-VHSXEESVSA-N 2 1 195.310 2.141 10 0 AEAEMP CC[NH2+][C@@H](C)C[C@@H](C)[N@H+]1CCC[C@@H]1C 82802710 572120670 /nfs/dbraw/zinc/12/06/70/572120670.db2.gz RABRCEFJYOTDPH-SDDRHHMPSA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)c1[nH+]ccn1[C@@H](C)C[C@H](C)[NH3+] 82803678 572121943 /nfs/dbraw/zinc/12/19/43/572121943.db2.gz BUZAAUAOTCHQTE-UWVGGRQHSA-N 2 1 195.310 2.305 10 0 AEAEMP CC[NH2+][C@H](C)C[C@H](C)[N@H+]1CCC[C@@H]1C 82802713 572120921 /nfs/dbraw/zinc/12/09/21/572120921.db2.gz RABRCEFJYOTDPH-WOPDTQHZSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)C(C)C 82802686 572121010 /nfs/dbraw/zinc/12/10/10/572121010.db2.gz NXEPEZFRDDHCOM-WDEREUQCSA-N 2 1 186.343 2.103 10 0 AEAEMP CC[NH2+][C@@H](C)C[C@H](C)n1cc[nH+]c1C 82803600 572121116 /nfs/dbraw/zinc/12/11/16/572121116.db2.gz BWKPBSPNLXEEHC-UWVGGRQHSA-N 2 1 195.310 2.141 10 0 AEAEMP C[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)CC1CCC1 82802239 572121188 /nfs/dbraw/zinc/12/11/88/572121188.db2.gz JDUCJDXFSUOTOF-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CCc1[nH+]ccn1[C@H](C)C[C@H](C)[NH2+]C 82803780 572121328 /nfs/dbraw/zinc/12/13/28/572121328.db2.gz SBLHJZKMEGOJNK-VHSXEESVSA-N 2 1 195.310 2.005 10 0 AEAEMP CC[NH2+][C@H](C)C[C@H](C)n1cc[nH+]c1C 82803602 572121335 /nfs/dbraw/zinc/12/13/35/572121335.db2.gz BWKPBSPNLXEEHC-ZJUUUORDSA-N 2 1 195.310 2.141 10 0 AEAEMP C[NH2+][C@H](C)C[C@@H](C)[N@H+]1CCCC1(C)C 82802371 572121339 /nfs/dbraw/zinc/12/13/39/572121339.db2.gz AQWBNIPVUBWIJI-GHMZBOCLSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C(C)C 82802689 572121349 /nfs/dbraw/zinc/12/13/49/572121349.db2.gz NXEPEZFRDDHCOM-MNOVXSKESA-N 2 1 186.343 2.103 10 0 AEAEMP CCC[C@H](CC)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 300332720 572122457 /nfs/dbraw/zinc/12/24/57/572122457.db2.gz HXIBEDJKKSBMGV-UTUOFQBUSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCc1[nH+]ccn1[C@@H](C)C[C@H](C)[NH3+] 82803892 572121379 /nfs/dbraw/zinc/12/13/79/572121379.db2.gz HKCCMFWDJUZPLU-UWVGGRQHSA-N 2 1 195.310 2.134 10 0 AEAEMP C[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)CC1CCC1 82802238 572121427 /nfs/dbraw/zinc/12/14/27/572121427.db2.gz JDUCJDXFSUOTOF-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+](C)CC1CCCC1 82802422 572121518 /nfs/dbraw/zinc/12/15/18/572121518.db2.gz ZJYHOVFKTGTWSJ-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP C[NH2+][C@H](C)C[C@H](C)n1c[nH+]c(C)c1C 82803850 572121533 /nfs/dbraw/zinc/12/15/33/572121533.db2.gz NBLHPKQYDNZGIP-BDAKNGLRSA-N 2 1 195.310 2.059 10 0 AEAEMP C[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)CC1CCC1 82802240 572121539 /nfs/dbraw/zinc/12/15/39/572121539.db2.gz JDUCJDXFSUOTOF-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP C[C@@H](C[C@@H](C)[NH3+])[N@@H+](C)CC1CCCC1 82802423 572121572 /nfs/dbraw/zinc/12/15/72/572121572.db2.gz ZJYHOVFKTGTWSJ-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP CCCc1[nH+]ccn1[C@H](C)C[C@@H](C)[NH3+] 82803890 572121616 /nfs/dbraw/zinc/12/16/16/572121616.db2.gz HKCCMFWDJUZPLU-NXEZZACHSA-N 2 1 195.310 2.134 10 0 AEAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)CC1CCC1 82802241 572121640 /nfs/dbraw/zinc/12/16/40/572121640.db2.gz JDUCJDXFSUOTOF-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP C[C@@H](C[C@@H](C)[NH3+])[N@@H+](C)CC(C)(C)C 82802160 572121709 /nfs/dbraw/zinc/12/17/09/572121709.db2.gz DJPABIPDZHKOBN-ZJUUUORDSA-N 2 1 186.343 2.090 10 0 AEAEMP CCCc1[nH+]ccn1[C@@H](C)C[C@@H](C)[NH3+] 82803888 572121755 /nfs/dbraw/zinc/12/17/55/572121755.db2.gz HKCCMFWDJUZPLU-ZJUUUORDSA-N 2 1 195.310 2.134 10 0 AEAEMP CC(C)c1[nH+]ccn1[C@@H](C)C[C@@H](C)[NH3+] 82803674 572121775 /nfs/dbraw/zinc/12/17/75/572121775.db2.gz BUZAAUAOTCHQTE-ZJUUUORDSA-N 2 1 195.310 2.305 10 0 AEAEMP CCC(C)(C)[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82802514 572121816 /nfs/dbraw/zinc/12/18/16/572121816.db2.gz XKMHPDKAAVQEFN-ZJUUUORDSA-N 2 1 186.343 2.233 10 0 AEAEMP CC[NH2+][C@H](C)C[C@@H](C)n1cc[nH+]c1C 82803599 572121845 /nfs/dbraw/zinc/12/18/45/572121845.db2.gz BWKPBSPNLXEEHC-NXEZZACHSA-N 2 1 195.310 2.141 10 0 AEAEMP CCc1[nH+]ccn1[C@@H](C)C[C@@H](C)[NH2+]C 82803777 572121974 /nfs/dbraw/zinc/12/19/74/572121974.db2.gz SBLHJZKMEGOJNK-ZJUUUORDSA-N 2 1 195.310 2.005 10 0 AEAEMP C[NH2+][C@H](C)C[C@H](C)[N@H+]1CCCC1(C)C 82802373 572121994 /nfs/dbraw/zinc/12/19/94/572121994.db2.gz AQWBNIPVUBWIJI-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP C[NH2+][C@@H](C)C[C@H](C)n1c[nH+]c(C)c1C 82803855 572122020 /nfs/dbraw/zinc/12/20/20/572122020.db2.gz NBLHPKQYDNZGIP-IUCAKERBSA-N 2 1 195.310 2.059 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82802697 572122026 /nfs/dbraw/zinc/12/20/26/572122026.db2.gz GRQBMJPEZTUCRA-NXEZZACHSA-N 2 1 186.343 2.233 10 0 AEAEMP CCC[C@H](CC)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 300332686 572122033 /nfs/dbraw/zinc/12/20/33/572122033.db2.gz CXBCYCMKAXZMKU-TUAOUCFPSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@H](CC)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 300332719 572122203 /nfs/dbraw/zinc/12/22/03/572122203.db2.gz HXIBEDJKKSBMGV-SRVKXCTJSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@H](CC)[N@H+]1C[C@H](C[NH3+])C[C@H]1C 300332721 572122295 /nfs/dbraw/zinc/12/22/95/572122295.db2.gz HXIBEDJKKSBMGV-WOPDTQHZSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@@H](CC)[N@H+]1CCC[C@H](C[NH3+])C1 300332694 572122329 /nfs/dbraw/zinc/12/23/29/572122329.db2.gz DXBVSJAAJMVCRH-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCn1cc[nH+]c1[C@@H](C)C[C@@H](C)[NH3+] 82807562 572122755 /nfs/dbraw/zinc/12/27/55/572122755.db2.gz OWUCIKHKWHUEBF-VHSXEESVSA-N 2 1 195.310 2.134 10 0 AEAEMP CCn1cc[nH+]c1[C@@H](C)C[C@H](C)[NH2+]C 82808838 572122817 /nfs/dbraw/zinc/12/28/17/572122817.db2.gz HHAQZUGJEYRDEG-UWVGGRQHSA-N 2 1 195.310 2.005 10 0 AEAEMP CCC[C@H](CC)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 300332687 572122890 /nfs/dbraw/zinc/12/28/90/572122890.db2.gz CXBCYCMKAXZMKU-WOPDTQHZSA-N 2 1 198.354 2.234 10 0 AEAEMP CCn1cc[nH+]c1[C@H](C)C[C@@H](C)[NH2+]C 82808836 572123374 /nfs/dbraw/zinc/12/33/74/572123374.db2.gz HHAQZUGJEYRDEG-NXEZZACHSA-N 2 1 195.310 2.005 10 0 AEAEMP CCn1cc[nH+]c1[C@@H](C)C[C@@H](C)[NH2+]C 82808834 572123392 /nfs/dbraw/zinc/12/33/92/572123392.db2.gz HHAQZUGJEYRDEG-VHSXEESVSA-N 2 1 195.310 2.005 10 0 AEAEMP CCC[C@H](CC)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 300332685 572123849 /nfs/dbraw/zinc/12/38/49/572123849.db2.gz CXBCYCMKAXZMKU-SRVKXCTJSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCn1cc[nH+]c1[C@@H](C)C[C@H](C)[NH3+] 82807566 572123866 /nfs/dbraw/zinc/12/38/66/572123866.db2.gz OWUCIKHKWHUEBF-UWVGGRQHSA-N 2 1 195.310 2.134 10 0 AEAEMP CCn1cc[nH+]c1[C@H](C)C[C@H](C)[NH2+]C 82808840 572123924 /nfs/dbraw/zinc/12/39/24/572123924.db2.gz HHAQZUGJEYRDEG-ZJUUUORDSA-N 2 1 195.310 2.005 10 0 AEAEMP CCC[C@H](CC)[N@H+]1CCC[C@H](C[NH3+])C1 300332693 572124129 /nfs/dbraw/zinc/12/41/29/572124129.db2.gz DXBVSJAAJMVCRH-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCn1cc[nH+]c1[C@H](C)C[C@H](C)[NH3+] 82807568 572124212 /nfs/dbraw/zinc/12/42/12/572124212.db2.gz OWUCIKHKWHUEBF-ZJUUUORDSA-N 2 1 195.310 2.134 10 0 AEAEMP CCCn1cc[nH+]c1[C@H](C)C[C@@H](C)[NH3+] 82807564 572124355 /nfs/dbraw/zinc/12/43/55/572124355.db2.gz OWUCIKHKWHUEBF-NXEZZACHSA-N 2 1 195.310 2.134 10 0 AEAEMP CCC[C@@H](C)[N@@H+](CC)C[C@H](C)C(N)=[NH2+] 300344950 572124682 /nfs/dbraw/zinc/12/46/82/572124682.db2.gz DYBXMNDTYKWMOH-VHSXEESVSA-N 2 1 199.342 2.069 10 0 AEAEMP CC[C@H](C)[N@@H+](C)CCCC(C)(C)[NH3+] 69634464 572124733 /nfs/dbraw/zinc/12/47/33/572124733.db2.gz CAGYVNQBOBBRGY-JTQLQIEISA-N 2 1 186.343 2.234 10 0 AEAEMP Cc1[nH+]ccn1[C@H]([C@@H](C)[NH3+])C(C)(C)C 43294804 572124741 /nfs/dbraw/zinc/12/47/41/572124741.db2.gz LJIFOJXRAVDJLY-PSASIEDQSA-N 2 1 195.310 2.126 10 0 AEAEMP C[C@H]1CCCC[N@H+]1CCCC(C)(C)[NH3+] 69634377 572124932 /nfs/dbraw/zinc/12/49/32/572124932.db2.gz WFVLPHMXZJLILT-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCC[C@H]1C[NH2+]CC 300344437 572125026 /nfs/dbraw/zinc/12/50/26/572125026.db2.gz CYWKGORLYNJFAW-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C)[N@H+]1CCC[C@H]1C[NH2+]CC 300344436 572125135 /nfs/dbraw/zinc/12/51/35/572125135.db2.gz CYWKGORLYNJFAW-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@H](C)[N@@H+](CC)C[C@H](C)C(N)=[NH2+] 300344948 572125256 /nfs/dbraw/zinc/12/52/56/572125256.db2.gz DYBXMNDTYKWMOH-UWVGGRQHSA-N 2 1 199.342 2.069 10 0 AEAEMP C[C@@H]1C[C@H]1C[N@@H+](C)CCCC(C)(C)[NH3+] 69635006 572125551 /nfs/dbraw/zinc/12/55/51/572125551.db2.gz GIUXFNZFUZTOKV-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP C[N@@H+](CCCC(C)(C)[NH3+])CC1CCC1 69634921 572125559 /nfs/dbraw/zinc/12/55/59/572125559.db2.gz LQSKBPUUDYUIRZ-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP C[N@@H+](CCCC(C)(C)[NH3+])C1CCCC1 69634448 572125573 /nfs/dbraw/zinc/12/55/73/572125573.db2.gz CYBVDYJAISERIV-UHFFFAOYSA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@H](C1CC1)[N@@H+](C)CCCC(C)(C)[NH3+] 69634525 572125581 /nfs/dbraw/zinc/12/55/81/572125581.db2.gz YKXRHZORQYAOEH-SNVBAGLBSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@@H](C)[N@@H+](CC)C[C@H](C)C[NH3+] 300343977 572125671 /nfs/dbraw/zinc/12/56/71/572125671.db2.gz CECFVUBCXZFPIB-GHMZBOCLSA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@H]1CCC[N@H+]1CCCC(C)(C)[NH3+] 69634570 572125679 /nfs/dbraw/zinc/12/56/79/572125679.db2.gz OHXDQTJHVYEMGJ-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CC[N@@H+](CCCC(C)(C)[NH3+])C(C)C 69634440 572125766 /nfs/dbraw/zinc/12/57/66/572125766.db2.gz MYRQJZONLZFPCM-UHFFFAOYSA-N 2 1 186.343 2.234 10 0 AEAEMP C[C@@H]1CCC[N@@H+](CCCC(C)(C)[NH3+])C1 69634385 572125910 /nfs/dbraw/zinc/12/59/10/572125910.db2.gz BXDNCHMSNGZOOS-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@@H](C1CC1)[N@@H+](C)CCCC(C)(C)[NH3+] 69634523 572126002 /nfs/dbraw/zinc/12/60/02/572126002.db2.gz YKXRHZORQYAOEH-JTQLQIEISA-N 2 1 198.354 2.234 10 0 AEAEMP CCCC[N@@H+](C)CCCC(C)(C)[NH3+] 69634396 572126055 /nfs/dbraw/zinc/12/60/55/572126055.db2.gz AKXRZFHOEUNVJA-UHFFFAOYSA-N 2 1 186.343 2.236 10 0 AEAEMP Cc1[nH+]ccn1[C@H]([C@H](C)[NH3+])C(C)(C)C 43294808 572126176 /nfs/dbraw/zinc/12/61/76/572126176.db2.gz LJIFOJXRAVDJLY-WCBMZHEXSA-N 2 1 195.310 2.126 10 0 AEAEMP Cc1[nH+]ccn1[C@@H]([C@H](C)[NH3+])C(C)(C)C 43294806 572126205 /nfs/dbraw/zinc/12/62/05/572126205.db2.gz LJIFOJXRAVDJLY-WPRPVWTQSA-N 2 1 195.310 2.126 10 0 AEAEMP CC(C)C[N@@H+](C)CCCC(C)(C)[NH3+] 69634459 572126258 /nfs/dbraw/zinc/12/62/58/572126258.db2.gz ZGTICBOZWBXYQC-UHFFFAOYSA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[C@H](C)[N@@H+](CC)C[C@H](C)C[NH3+] 300343980 572126320 /nfs/dbraw/zinc/12/63/20/572126320.db2.gz CECFVUBCXZFPIB-MNOVXSKESA-N 2 1 186.343 2.092 10 0 AEAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCCC(C)(C)[NH3+] 69635003 572126441 /nfs/dbraw/zinc/12/64/41/572126441.db2.gz GIUXFNZFUZTOKV-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CCCC(C)(C)[NH3+] 69635005 572126480 /nfs/dbraw/zinc/12/64/80/572126480.db2.gz GIUXFNZFUZTOKV-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP Cc1[nH+]ccn1[C@@H]([C@@H](C)[NH3+])C(C)(C)C 43294802 572126618 /nfs/dbraw/zinc/12/66/18/572126618.db2.gz LJIFOJXRAVDJLY-SCZZXKLOSA-N 2 1 195.310 2.126 10 0 AEAEMP C[C@H]1C[C@H]1C[N@@H+](C)CCCC(C)(C)[NH3+] 69635009 572126799 /nfs/dbraw/zinc/12/67/99/572126799.db2.gz GIUXFNZFUZTOKV-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1CCCC(C)(C)[NH3+] 69634567 572126870 /nfs/dbraw/zinc/12/68/70/572126870.db2.gz OHXDQTJHVYEMGJ-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[N@@H+](CCCC(C)(C)[NH3+])C1CC1 69634455 572127265 /nfs/dbraw/zinc/12/72/65/572127265.db2.gz YRQXWMTXCFQUOX-UHFFFAOYSA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@@H]1CCCC[N@H+]1CCCC(C)(C)[NH3+] 69634375 572127281 /nfs/dbraw/zinc/12/72/81/572127281.db2.gz WFVLPHMXZJLILT-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[C@@H](C)[N@@H+](C)CCCC(C)(C)[NH3+] 69634461 572127311 /nfs/dbraw/zinc/12/73/11/572127311.db2.gz CAGYVNQBOBBRGY-SNVBAGLBSA-N 2 1 186.343 2.234 10 0 AEAEMP C[C@H]1CCC[N@@H+](CCCC(C)(C)[NH3+])C1 69634386 572127337 /nfs/dbraw/zinc/12/73/37/572127337.db2.gz BXDNCHMSNGZOOS-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)([NH3+])CCC[N@H+]1CCCC1(C)C 69634946 572127376 /nfs/dbraw/zinc/12/73/76/572127376.db2.gz QHQYRXYAWZMKMD-UHFFFAOYSA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@@H](C[NH3+])[NH2+][C@H](C)C1CCCCCC1 235150190 572128339 /nfs/dbraw/zinc/12/83/39/572128339.db2.gz JZYUILGYGLRFQB-WDEREUQCSA-N 2 1 198.354 2.282 10 0 AEAEMP CCCCCC[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718477 572128408 /nfs/dbraw/zinc/12/84/08/572128408.db2.gz KLJXLAPLZIGXHQ-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCCCC[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718477 572128411 /nfs/dbraw/zinc/12/84/11/572128411.db2.gz KLJXLAPLZIGXHQ-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCCCC[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 69718479 572129307 /nfs/dbraw/zinc/12/93/07/572129307.db2.gz KLJXLAPLZIGXHQ-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCCCC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 69718479 572129308 /nfs/dbraw/zinc/12/93/08/572129308.db2.gz KLJXLAPLZIGXHQ-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@@H+](CCCC(C)(C)[NH3+])CC1CC1 69635011 572130171 /nfs/dbraw/zinc/13/01/71/572130171.db2.gz GXOBWXZPESHBHE-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[N@H+](C1CC[NH2+]CC1)[C@H](C)CC 37469618 572130103 /nfs/dbraw/zinc/13/01/03/572130103.db2.gz OPMOSGWYGNJVQU-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP C[C@@H]1CC([N@@H+](C)CCC[NH3+])C[C@@H](C)C1 82832661 572130133 /nfs/dbraw/zinc/13/01/33/572130133.db2.gz ZGCFSORAAWRSBZ-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H]1CC([N@@H+](C)CCC[NH3+])C[C@H](C)C1 82832660 572130476 /nfs/dbraw/zinc/13/04/76/572130476.db2.gz ZGCFSORAAWRSBZ-FOSCPWQOSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1CC([N@@H+](C)CCC[NH3+])C[C@H](C)C1 82832662 572130514 /nfs/dbraw/zinc/13/05/14/572130514.db2.gz ZGCFSORAAWRSBZ-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[NH2+]C1(C[NH3+])C[C@@H](C)C[C@@H](C)C1 82830920 572130585 /nfs/dbraw/zinc/13/05/85/572130585.db2.gz RXYCHEUAHWIJAM-FOSCPWQOSA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)[NH2+]C1(C[NH3+])C[C@@H](C)C[C@@H](C)C1 82830927 572130940 /nfs/dbraw/zinc/13/09/40/572130940.db2.gz KMBRBPXKXVRVCW-FOSCPWQOSA-N 2 1 198.354 2.138 10 0 AEAEMP CCC[NH2+]C1(C[NH3+])C[C@@H](C)C[C@H](C)C1 82830921 572131054 /nfs/dbraw/zinc/13/10/54/572131054.db2.gz RXYCHEUAHWIJAM-QWRGUYRKSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC[NH2+]C1(C[NH3+])C[C@H](C)C[C@@H](C)C1 82830922 572131065 /nfs/dbraw/zinc/13/10/65/572131065.db2.gz RXYCHEUAHWIJAM-GHMZBOCLSA-N 2 1 198.354 2.140 10 0 AEAEMP C/C=C/C[N@H+](CCC)C1CC[NH2+]CC1 37469609 572131269 /nfs/dbraw/zinc/13/12/69/572131269.db2.gz XHWDBSCJFZVYJH-HWKANZROSA-N 2 1 196.338 2.027 10 0 AEAEMP CCC[N@H+](C1CC[NH2+]CC1)[C@@H](C)CC 37469617 572131699 /nfs/dbraw/zinc/13/16/99/572131699.db2.gz OPMOSGWYGNJVQU-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@]1(C[NH3+])CC[C@@H](C)[C@H](C)C1 82837972 572132473 /nfs/dbraw/zinc/13/24/73/572132473.db2.gz MTVQQGKFNDPURQ-IJLUTSLNSA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)[NH2+][C@@]1(C[NH3+])CC[C@H](C)[C@@H](C)C1 82837978 572132931 /nfs/dbraw/zinc/13/29/31/572132931.db2.gz SRTJYUZURQIRAP-SRVKXCTJSA-N 2 1 198.354 2.138 10 0 AEAEMP CC(C)[NH2+][C@@]1(C[NH3+])CC[C@@H](C)[C@@H](C)C1 82837977 572133221 /nfs/dbraw/zinc/13/32/21/572133221.db2.gz SRTJYUZURQIRAP-WOPDTQHZSA-N 2 1 198.354 2.138 10 0 AEAEMP CCC[NH2+][C@]1(C[NH3+])CC[C@H](C)[C@H](C)C1 82837970 572133397 /nfs/dbraw/zinc/13/33/97/572133397.db2.gz MTVQQGKFNDPURQ-QJPTWQEYSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC(CC)[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 69727739 572136975 /nfs/dbraw/zinc/13/69/75/572136975.db2.gz DMAYCKBIQSBCEF-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCC[C@H]1CCC[NH3+] 300350190 572134539 /nfs/dbraw/zinc/13/45/39/572134539.db2.gz UFZRFUSDYQEIPH-NWDGAFQWSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[C@@H](C)[N@H+]1CCC[C@H]1CCC[NH3+] 300350191 572134895 /nfs/dbraw/zinc/13/48/95/572134895.db2.gz UFZRFUSDYQEIPH-VXGBXAGGSA-N 2 1 198.354 2.378 10 0 AEAEMP C[NH2+]CC[C@H]1CCCC[N@H+]1CC(C)C 69730862 572135162 /nfs/dbraw/zinc/13/51/62/572135162.db2.gz KDJBQLUKABNOSZ-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC(CC)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 69724610 572135214 /nfs/dbraw/zinc/13/52/14/572135214.db2.gz ZZTCGTXKXAVOLO-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)(C)C[N@H+]1CCC[C@@H](CC[NH3+])C1 69723869 572135254 /nfs/dbraw/zinc/13/52/54/572135254.db2.gz WXINJFSCCZTZEA-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)=CC[N@H+]1CCC[C@H](CC[NH3+])C1 69724227 572135534 /nfs/dbraw/zinc/13/55/34/572135534.db2.gz NYIABDOUOVWNRT-GFCCVEGCSA-N 2 1 196.338 2.013 10 0 AEAEMP C[NH2+]CC[C@H]1CCCC[N@H+]1C1CCC1 69730700 572135601 /nfs/dbraw/zinc/13/56/01/572135601.db2.gz KJDPHHVZMOKEOL-GFCCVEGCSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[C@@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69724612 572135789 /nfs/dbraw/zinc/13/57/89/572135789.db2.gz GIFWAAGMHPOJLQ-UTUOFQBUSA-N 2 1 198.354 2.234 10 0 AEAEMP C[NH2+]CC[C@@H]1CCCC[N@H+]1C1CCC1 69730699 572135957 /nfs/dbraw/zinc/13/59/57/572135957.db2.gz KJDPHHVZMOKEOL-LBPRGKRZSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 69723908 572136011 /nfs/dbraw/zinc/13/60/11/572136011.db2.gz VFMKJXSBTLSKAN-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)=CC[N@H+]1CCC[C@@H](CC[NH3+])C1 69724229 572136162 /nfs/dbraw/zinc/13/61/62/572136162.db2.gz NYIABDOUOVWNRT-LBPRGKRZSA-N 2 1 196.338 2.013 10 0 AEAEMP CCC(CC)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69724607 572136348 /nfs/dbraw/zinc/13/63/48/572136348.db2.gz ZZTCGTXKXAVOLO-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH2+]C 69730764 572136429 /nfs/dbraw/zinc/13/64/29/572136429.db2.gz DMZXBNXJJVRONL-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@H](C)[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C 69727745 572136447 /nfs/dbraw/zinc/13/64/47/572136447.db2.gz CQMWOWPQUJJCAL-SRVKXCTJSA-N 2 1 198.354 2.234 10 0 AEAEMP C/C=C/C[N@@H+]1CCCC[C@@H]1CC[NH2+]C 69731024 572136590 /nfs/dbraw/zinc/13/65/90/572136590.db2.gz AGBFHOIDVMXWLE-AAOUONPWSA-N 2 1 196.338 2.027 10 0 AEAEMP CCC(CC)[N@H+]1CCC[C@@H](CC[NH3+])C1 69723884 572136709 /nfs/dbraw/zinc/13/67/09/572136709.db2.gz VRERRZTUXDNJQQ-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[N@H+]1CCCC[C@@H]1CC[NH2+]C 69730723 572136863 /nfs/dbraw/zinc/13/68/63/572136863.db2.gz AHEFPXMJVSRETR-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP C/C=C/C[N@@H+]1CCCC[C@H]1CC[NH2+]C 69731026 572137023 /nfs/dbraw/zinc/13/70/23/572137023.db2.gz AGBFHOIDVMXWLE-PCAWENJQSA-N 2 1 196.338 2.027 10 0 AEAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69724755 572137332 /nfs/dbraw/zinc/13/73/32/572137332.db2.gz CXBYJIRCFZKLGA-UTUOFQBUSA-N 2 1 198.354 2.090 10 0 AEAEMP CCC(CC)[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C 69727735 572137528 /nfs/dbraw/zinc/13/75/28/572137528.db2.gz DMAYCKBIQSBCEF-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69724614 572137784 /nfs/dbraw/zinc/13/77/84/572137784.db2.gz GIFWAAGMHPOJLQ-TUAOUCFPSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(CC)[N@H+]1CCC[C@H](CC[NH3+])C1 69723881 572137821 /nfs/dbraw/zinc/13/78/21/572137821.db2.gz VRERRZTUXDNJQQ-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@](CC)(C[NH3+])[NH2+]C[C@@H]1C[C@H]1C 300351711 572137887 /nfs/dbraw/zinc/13/78/87/572137887.db2.gz DBXFKZCAVQSSTK-GRYCIOLGSA-N 2 1 198.354 2.140 10 0 AEAEMP C[NH2+]CC[C@@H]1CCCC[N@H+]1CC(C)C 69730864 572137905 /nfs/dbraw/zinc/13/79/05/572137905.db2.gz KDJBQLUKABNOSZ-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)(C)C[N@H+]1CCC[C@H](CC[NH3+])C1 69723866 572137920 /nfs/dbraw/zinc/13/79/20/572137920.db2.gz WXINJFSCCZTZEA-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 69723903 572138081 /nfs/dbraw/zinc/13/80/81/572138081.db2.gz VFMKJXSBTLSKAN-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@](CC)(C[NH3+])[NH2+]C[C@H]1C[C@H]1C 300351712 572138232 /nfs/dbraw/zinc/13/82/32/572138232.db2.gz DBXFKZCAVQSSTK-IJLUTSLNSA-N 2 1 198.354 2.140 10 0 AEAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H](C)CC1 300362667 572138621 /nfs/dbraw/zinc/13/86/21/572138621.db2.gz CUOFRJBRFKHUGB-QJPTWQEYSA-N 2 1 198.354 2.153 10 0 AEAEMP C[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H](C)CC1 300362668 572138841 /nfs/dbraw/zinc/13/88/41/572138841.db2.gz CUOFRJBRFKHUGB-TUAOUCFPSA-N 2 1 198.354 2.153 10 0 AEAEMP CCCC[C@@H](CCC)[N@@H+]1CC[C@H]([NH3+])C1 300367580 572138895 /nfs/dbraw/zinc/13/88/95/572138895.db2.gz MCUUHIVZYVNFRP-NWDGAFQWSA-N 2 1 198.354 2.378 10 0 AEAEMP CCCC[C@@H](CCC)[N@H+]1CC[C@H]([NH3+])C1 300367580 572138897 /nfs/dbraw/zinc/13/88/97/572138897.db2.gz MCUUHIVZYVNFRP-NWDGAFQWSA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H](C)c1ccccc1 687710692 572138934 /nfs/dbraw/zinc/13/89/34/572138934.db2.gz OOUFAUGTKUJRGF-HBNTYKKESA-N 2 1 192.306 2.073 10 0 AEAEMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)c1ccccc1 687710687 572139389 /nfs/dbraw/zinc/13/93/89/572139389.db2.gz OOUFAUGTKUJRGF-GARJFASQSA-N 2 1 192.306 2.073 10 0 AEAEMP CCCC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC 300368267 572140256 /nfs/dbraw/zinc/14/02/56/572140256.db2.gz QNLNVSSQDZFUFD-SNVBAGLBSA-N 2 1 199.342 2.084 10 0 AEAEMP CCC[C@@H]1C[C@@H]1[NH2+]CC[NH2+][C@@H](C)CC 300375723 572141726 /nfs/dbraw/zinc/14/17/26/572141726.db2.gz CZFMBXSCOYESCW-TUAOUCFPSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[C@@H]1C[C@H]1[NH2+]CC[NH2+][C@H](C)CC 300375722 572142758 /nfs/dbraw/zinc/14/27/58/572142758.db2.gz CZFMBXSCOYESCW-IJLUTSLNSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[C@@H]1C[C@@H]1[NH2+]CC[NH2+][C@H](C)CC 300375724 572143666 /nfs/dbraw/zinc/14/36/66/572143666.db2.gz CZFMBXSCOYESCW-UTUOFQBUSA-N 2 1 198.354 2.153 10 0 AEAEMP CCCC[N@@H+](CC)CCCC[NH2+]C 37477893 572144303 /nfs/dbraw/zinc/14/43/03/572144303.db2.gz XRDNDEINLDDBHM-UHFFFAOYSA-N 2 1 186.343 2.108 10 0 AEAEMP CC[C@H]1CCCC[N@H+]1CCCC[NH2+]C 37477936 572144347 /nfs/dbraw/zinc/14/43/47/572144347.db2.gz MGLXMYWITGMPDX-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP C[NH2+]CCCC[N@H+]1[C@@H](C)CCC[C@H]1C 37477915 572144455 /nfs/dbraw/zinc/14/44/55/572144455.db2.gz JOAFHDSTAWWYAF-TXEJJXNPSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)[N@@H+](CC)CCCC[NH2+]C 37477946 572145630 /nfs/dbraw/zinc/14/56/30/572145630.db2.gz KGWBPOVOHIQVHG-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@@H]1C[C@@H]1[NH2+]CC[NH2+]C(C)(C)C 300381213 572144480 /nfs/dbraw/zinc/14/44/80/572144480.db2.gz JENHBAHSPBNSOY-MNOVXSKESA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[C@H](C)[N@H+](C)CC[NH2+]C(C)C 37477324 572145060 /nfs/dbraw/zinc/14/50/60/572145060.db2.gz STAGLWBABGYCLT-NSHDSACASA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CC[NH2+]C(C)C 37477324 572145062 /nfs/dbraw/zinc/14/50/62/572145062.db2.gz STAGLWBABGYCLT-NSHDSACASA-N 2 1 186.343 2.105 10 0 AEAEMP CCCCC[N@@H+](C)CCCC[NH2+]C 37477948 572145188 /nfs/dbraw/zinc/14/51/88/572145188.db2.gz APJUXOWLJHTYRQ-UHFFFAOYSA-N 2 1 186.343 2.108 10 0 AEAEMP CCC[C@@H](C)[N@H+](C)CC[NH2+]C(C)C 37477323 572145528 /nfs/dbraw/zinc/14/55/28/572145528.db2.gz STAGLWBABGYCLT-LLVKDONJSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CC[NH2+]C(C)C 37477323 572145529 /nfs/dbraw/zinc/14/55/29/572145529.db2.gz STAGLWBABGYCLT-LLVKDONJSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[N@@H+](CCCC[NH2+]C)C(C)C 37477939 572145596 /nfs/dbraw/zinc/14/55/96/572145596.db2.gz QGFKRCBEVIQCBU-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CC[C@@H]1CCCC[N@H+]1CCCC[NH2+]C 37477935 572145849 /nfs/dbraw/zinc/14/58/49/572145849.db2.gz MGLXMYWITGMPDX-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCC[N@H+](CC)CC[NH2+]C(C)C 37477259 572146419 /nfs/dbraw/zinc/14/64/19/572146419.db2.gz FNGMCPXUPNRNPV-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CCCC[N@@H+](CC)CC[NH2+]C(C)C 37477259 572146420 /nfs/dbraw/zinc/14/64/20/572146420.db2.gz FNGMCPXUPNRNPV-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CC(C)[NH2+]CC[NH+]1CCCCCCC1 37477277 572146427 /nfs/dbraw/zinc/14/64/27/572146427.db2.gz WENXAWDUIXGUHS-UHFFFAOYSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[C@H]1CCC[N@H+](CC[NH2+]C(C)C)C1 37477327 572146509 /nfs/dbraw/zinc/14/65/09/572146509.db2.gz MLFOBWCLLGJSOM-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H]1CCC[N@@H+](CC[NH2+]C(C)C)C1 37477327 572146511 /nfs/dbraw/zinc/14/65/11/572146511.db2.gz MLFOBWCLLGJSOM-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP C[NH2+]CCCC[N@@H+](C)C1CCCCC1 37477896 572146516 /nfs/dbraw/zinc/14/65/16/572146516.db2.gz YSFVTXKXHPJYKL-UHFFFAOYSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[C@H](C)[N@@H+](CC)CCCC[NH2+]C 37477947 572146524 /nfs/dbraw/zinc/14/65/24/572146524.db2.gz KGWBPOVOHIQVHG-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CCCC[NH2+]C 37477974 572148975 /nfs/dbraw/zinc/14/89/75/572148975.db2.gz LUWUETAFNOLSHV-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]([NH3+])C(C)(C)C 300385026 572147451 /nfs/dbraw/zinc/14/74/51/572147451.db2.gz MXPDPANAZZIFHU-OUAUKWLOSA-N 2 1 198.354 2.138 10 0 AEAEMP CC[C@@H]1CCC[N@@H+](CCCC[NH2+]C)C1 37477976 572147502 /nfs/dbraw/zinc/14/75/02/572147502.db2.gz ZIAPTJQWPPVSFW-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC[C@@H]1C[C@H]1[NH2+]C[C@H]([NH3+])C(C)(C)C 300385025 572147846 /nfs/dbraw/zinc/14/78/46/572147846.db2.gz MXPDPANAZZIFHU-MXWKQRLJSA-N 2 1 198.354 2.138 10 0 AEAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]([NH3+])C(C)(C)C 300385028 572147970 /nfs/dbraw/zinc/14/79/70/572147970.db2.gz MXPDPANAZZIFHU-VWYCJHECSA-N 2 1 198.354 2.138 10 0 AEAEMP CC[C@H]1CCC[N@@H+](CCCC[NH2+]C)C1 37477977 572148468 /nfs/dbraw/zinc/14/84/68/572148468.db2.gz ZIAPTJQWPPVSFW-LBPRGKRZSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC(CC)[N@@H+](C)CCCC[NH2+]C 37477972 572148625 /nfs/dbraw/zinc/14/86/25/572148625.db2.gz UQHVTYWMILTOPE-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[NH2+][C@H](CC)c1c[nH+]ccc1N 69845252 572148914 /nfs/dbraw/zinc/14/89/14/572148914.db2.gz VXYOTUMQNYIOOX-LLVKDONJSA-N 2 1 193.294 2.115 10 0 AEAEMP CCC[C@H]([NH2+]CC)c1c[nH+]ccc1N 69845302 572148947 /nfs/dbraw/zinc/14/89/47/572148947.db2.gz HLQRWLUVMPJGQX-NSHDSACASA-N 2 1 193.294 2.115 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CCCC[NH2+]C 37477973 572149108 /nfs/dbraw/zinc/14/91/08/572149108.db2.gz LUWUETAFNOLSHV-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CC[N@@H+](CCCC[NH2+]C)C1CCCC1 37477958 572149157 /nfs/dbraw/zinc/14/91/57/572149157.db2.gz MZOJYXNOLWOBTQ-UHFFFAOYSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[C@@H]([NH2+]CC)c1c[nH+]ccc1N 69845304 572149411 /nfs/dbraw/zinc/14/94/11/572149411.db2.gz HLQRWLUVMPJGQX-LLVKDONJSA-N 2 1 193.294 2.115 10 0 AEAEMP CCC[NH2+][C@@H](CC)c1c[nH+]ccc1N 69845251 572149474 /nfs/dbraw/zinc/14/94/74/572149474.db2.gz VXYOTUMQNYIOOX-NSHDSACASA-N 2 1 193.294 2.115 10 0 AEAEMP CC[C@H](C)[N@@H+](CC)CCC[NH2+]C1CC1 37478575 572150274 /nfs/dbraw/zinc/15/02/74/572150274.db2.gz VKXNFMKUOQVFLO-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CCC[NH2+]C1CC1 37478629 572150404 /nfs/dbraw/zinc/15/04/04/572150404.db2.gz JZVHZBFOCRYKHT-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCCC[N@@H+](CC)CCC[NH2+]C1CC1 37478501 572150417 /nfs/dbraw/zinc/15/04/17/572150417.db2.gz LCSJOFVULSWPJM-UHFFFAOYSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CCC[NH2+]C1CC1 37478628 572150430 /nfs/dbraw/zinc/15/04/30/572150430.db2.gz JZVHZBFOCRYKHT-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@H](C)[N@H+](C)CC[NH2+]CC1CC1 37478631 572150553 /nfs/dbraw/zinc/15/05/53/572150553.db2.gz LSNRNNKCDZNNTF-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CC[NH2+]CC1CC1 37478631 572150554 /nfs/dbraw/zinc/15/05/54/572150554.db2.gz LSNRNNKCDZNNTF-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[NH2+]CCC[N@H+]1CCC[C@@H](C)C1 37480262 572150624 /nfs/dbraw/zinc/15/06/24/572150624.db2.gz ACXZFZWQFBTCQX-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP C[N@@H+](CCC[NH2+]C1CC1)C1CCCC1 37478556 572152093 /nfs/dbraw/zinc/15/20/93/572152093.db2.gz QSHRVKJRPWVQFK-UHFFFAOYSA-N 2 1 196.338 2.003 10 0 AEAEMP CC(C)[NH2+]CCC[N@H+]1CCC[C@H](C)C1 37480263 572150818 /nfs/dbraw/zinc/15/08/18/572150818.db2.gz ACXZFZWQFBTCQX-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCC[N@@H+](C)CC1([NH3+])CCCC1 37479613 572150895 /nfs/dbraw/zinc/15/08/95/572150895.db2.gz CTZPYUODUXQEKX-UHFFFAOYSA-N 2 1 198.354 2.380 10 0 AEAEMP CC[N@@H+](CCC[NH2+]C(C)C)C(C)C 37480289 572151195 /nfs/dbraw/zinc/15/11/95/572151195.db2.gz ONKMJSYLIIABIO-UHFFFAOYSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[N@@H+](CC1([NH3+])CCCC1)C1CC1 37479605 572151323 /nfs/dbraw/zinc/15/13/23/572151323.db2.gz STBCRBYCNCVTNW-UHFFFAOYSA-N 2 1 196.338 2.132 10 0 AEAEMP CC(C)[NH2+]CCC[N@@H+](C)C1CCCC1 37480292 572151356 /nfs/dbraw/zinc/15/13/56/572151356.db2.gz VEEGSNNUGWHADI-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@@H+](CCC[NH2+]C1CC1)C(C)C 37478560 572151482 /nfs/dbraw/zinc/15/14/82/572151482.db2.gz IBGQRRVBRIOOKS-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)C[N@@H+](C)CCC[NH2+]C1CC1 37478580 572151512 /nfs/dbraw/zinc/15/15/12/572151512.db2.gz MLUCFHFQUQKJPK-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[C@H](C)[N@@H+](C)CCC[NH2+]C1CC1 37478623 572151692 /nfs/dbraw/zinc/15/16/92/572151692.db2.gz SMKLTCSGWMXOKV-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[NH2+]CCC[N@@H+](C)[C@@H](C)C1CC1 37480323 572151785 /nfs/dbraw/zinc/15/17/85/572151785.db2.gz QPQKEJZOUFEWNY-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[C@@H](C)[N@@H+](C)CCC[NH2+]C1CC1 37478622 572151835 /nfs/dbraw/zinc/15/18/35/572151835.db2.gz SMKLTCSGWMXOKV-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCCC[N@@H+](C)CCC[NH2+]C1CC1 37478578 572152042 /nfs/dbraw/zinc/15/20/42/572152042.db2.gz BOPXJYSHVFCCCN-UHFFFAOYSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCC[N@H+](CC)CC[NH2+]CC1CC1 37478502 572152148 /nfs/dbraw/zinc/15/21/48/572152148.db2.gz DJFQXMXIUZKCSC-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CCCC[N@@H+](CC)CC[NH2+]CC1CC1 37478502 572152151 /nfs/dbraw/zinc/15/21/51/572152151.db2.gz DJFQXMXIUZKCSC-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[C@@H](C)[NH2+]CC[N@H+](C)[C@@H](C)C1CC1 37479985 572152256 /nfs/dbraw/zinc/15/22/56/572152256.db2.gz ZXVHCNNDLSHBBY-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H](C)[NH2+]CC[N@@H+](C)[C@@H](C)C1CC1 37479985 572152260 /nfs/dbraw/zinc/15/22/60/572152260.db2.gz ZXVHCNNDLSHBBY-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H](C)[N@@H+](CC)CCC[NH2+]C1CC1 37478574 572152379 /nfs/dbraw/zinc/15/23/79/572152379.db2.gz VKXNFMKUOQVFLO-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H](C)C[N@@H+](C)CCC[NH2+]C1CC1 37478581 572152414 /nfs/dbraw/zinc/15/24/14/572152414.db2.gz MLUCFHFQUQKJPK-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC[N@@H+](CCCC[NH2+]C(C)C)C1CC1 37482930 572153985 /nfs/dbraw/zinc/15/39/85/572153985.db2.gz SRBNNTDGTKWMDW-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@@H+](CCC[NH2+]C1CC1)C1CC1 37478562 572152505 /nfs/dbraw/zinc/15/25/05/572152505.db2.gz AMBVWBJABHEJDI-UHFFFAOYSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC(CC)[N@@H+](C)CCC[NH2+]C1CC1 37478626 572152579 /nfs/dbraw/zinc/15/25/79/572152579.db2.gz AQODNHOMHDBFEE-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP C[C@H]1C[C@H]([N@@H+](C)CCC[NH3+])CC[C@H]1C 82841741 572154153 /nfs/dbraw/zinc/15/41/53/572154153.db2.gz MHRPJAIZUHNVNJ-GRYCIOLGSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@H](C)[NH2+]CC[N@H+](C)[C@@H](C)C1CC1 37479986 572152680 /nfs/dbraw/zinc/15/26/80/572152680.db2.gz ZXVHCNNDLSHBBY-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)[NH2+]CC[N@@H+](C)[C@@H](C)C1CC1 37479986 572152682 /nfs/dbraw/zinc/15/26/82/572152682.db2.gz ZXVHCNNDLSHBBY-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[NH+](CCC)CC[NH2+]CC1CC1 37478496 572152697 /nfs/dbraw/zinc/15/26/97/572152697.db2.gz KIZPTPVCYONENQ-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[C@H](C)[N@@H+](C)CCC[NH2+]C(C)C 37480299 572152804 /nfs/dbraw/zinc/15/28/04/572152804.db2.gz XEPKIBANCCBCFZ-NSHDSACASA-N 2 1 186.343 2.105 10 0 AEAEMP C[C@H]1C[C@@H]([N@@H+](C)CCC[NH3+])CC[C@H]1C 82841738 572154132 /nfs/dbraw/zinc/15/41/32/572154132.db2.gz MHRPJAIZUHNVNJ-WOPDTQHZSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[NH2+]CCC[N@@H+](C)[C@H](C)C1CC1 37480324 572152994 /nfs/dbraw/zinc/15/29/94/572152994.db2.gz QPQKEJZOUFEWNY-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@@H](C)[N@H+](C)CC[NH2+]CC1CC1 37478630 572153011 /nfs/dbraw/zinc/15/30/11/572153011.db2.gz LSNRNNKCDZNNTF-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CC[NH2+]CC1CC1 37478630 572153015 /nfs/dbraw/zinc/15/30/15/572153015.db2.gz LSNRNNKCDZNNTF-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@@H+](C)CCC[NH2+]C(C)C 37480268 572153109 /nfs/dbraw/zinc/15/31/09/572153109.db2.gz BPYDYTOQYOTIJB-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP C[C@H]1CC[C@H]([N@@H+](C)CCC[NH3+])C[C@@H]1C 82841739 572153111 /nfs/dbraw/zinc/15/31/11/572153111.db2.gz MHRPJAIZUHNVNJ-SRVKXCTJSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[N@@H+](CC)CCC[NH2+]C(C)C 37480293 572153173 /nfs/dbraw/zinc/15/31/73/572153173.db2.gz WOHNTIWFKBABQX-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[N@@H+](CCC[NH2+]C(C)C)C1CC1 37480295 572153227 /nfs/dbraw/zinc/15/32/27/572153227.db2.gz UOPMIQLJESIHMI-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP C[C@H]1CC[C@@H]([N@@H+](C)CCC[NH3+])C[C@@H]1C 82841744 572153254 /nfs/dbraw/zinc/15/32/54/572153254.db2.gz MHRPJAIZUHNVNJ-SDDRHHMPSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@@H](C)[N@@H+](C)CCC[NH2+]C(C)C 37480298 572153269 /nfs/dbraw/zinc/15/32/69/572153269.db2.gz XEPKIBANCCBCFZ-LLVKDONJSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC(CC)[N@H+](C)CC[NH2+]CC1CC1 37478627 572153281 /nfs/dbraw/zinc/15/32/81/572153281.db2.gz DILJDMDUNCPMDI-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC(CC)[N@@H+](C)CC[NH2+]CC1CC1 37478627 572153283 /nfs/dbraw/zinc/15/32/83/572153283.db2.gz DILJDMDUNCPMDI-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H](C)[N@@H+](C)CC1CCC([NH3+])CC1 37482444 572153595 /nfs/dbraw/zinc/15/35/95/572153595.db2.gz AIUFQTPWBYZXJD-UNXYVOJBSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[N@@H+](C)CCC[NH2+]C(C)(C)C 37482901 572153690 /nfs/dbraw/zinc/15/36/90/572153690.db2.gz SPERKUAZTJMIRV-UHFFFAOYSA-N 2 1 186.343 2.105 10 0 AEAEMP CC[N@@H+](CCC[NH2+]C(C)(C)C)C1CC1 37482931 572153758 /nfs/dbraw/zinc/15/37/58/572153758.db2.gz KJSOBJYUWYDPRZ-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCC[C@@H]([NH3+])C[NH+]1CCC(C)CC1 37480772 572153923 /nfs/dbraw/zinc/15/39/23/572153923.db2.gz CSOXHPLCNWOKHQ-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1C 37480788 572154044 /nfs/dbraw/zinc/15/40/44/572154044.db2.gz JKSMJTGYZSLEPD-NWDGAFQWSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[NH2+][C@]1(C[NH3+])CCC[C@@H](C)[C@@H]1C 82860080 572154586 /nfs/dbraw/zinc/15/45/86/572154586.db2.gz HLIQINFIMDFCFQ-WOPDTQHZSA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)[NH2+]CCCC[N@@H+](C)C(C)C 37482900 572154643 /nfs/dbraw/zinc/15/46/43/572154643.db2.gz GHTNWJMYRIXQRH-UHFFFAOYSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[N@@H+](CC)CC1CCC([NH3+])CC1 37482433 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WPZLIRGJLLCYGL-GRYCIOLGSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC[NH2+][C@]1(C[NH3+])CC[C@@H](C)C[C@@H]1C 82860076 572155285 /nfs/dbraw/zinc/15/52/85/572155285.db2.gz WPZLIRGJLLCYGL-WOPDTQHZSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC[N@@H+](C)CCC[NH2+]C(C)(C)C 37482949 572155327 /nfs/dbraw/zinc/15/53/27/572155327.db2.gz TWXSWRAGRBXOIX-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CC[C@@H](C)[N@@H+](C)CC1CCC([NH3+])CC1 37482443 572155400 /nfs/dbraw/zinc/15/54/00/572155400.db2.gz AIUFQTPWBYZXJD-VOMCLLRMSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[NH2+][C@]1(C[NH3+])CCC[C@H](C)[C@@H]1C 82860078 572155467 /nfs/dbraw/zinc/15/54/67/572155467.db2.gz HLIQINFIMDFCFQ-SRVKXCTJSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC[NH2+][C@@]1(C[NH3+])CC[C@H](C)C[C@@H]1C 82860075 572155511 /nfs/dbraw/zinc/15/55/11/572155511.db2.gz WPZLIRGJLLCYGL-SDDRHHMPSA-N 2 1 198.354 2.140 10 0 AEAEMP CCCC[N@@H+](C)CC1CCC([NH3+])CC1 37482388 572155524 /nfs/dbraw/zinc/15/55/24/572155524.db2.gz HSFPWQUICKDWLZ-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 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NWRFCTXMYMGUBK-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484845 572158619 /nfs/dbraw/zinc/15/86/19/572158619.db2.gz CYARITSGJOGNED-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 37484846 572158660 /nfs/dbraw/zinc/15/86/60/572158660.db2.gz CYARITSGJOGNED-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 37484847 572159896 /nfs/dbraw/zinc/15/98/96/572159896.db2.gz CYARITSGJOGNED-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484844 572160200 /nfs/dbraw/zinc/16/02/00/572160200.db2.gz CYARITSGJOGNED-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCCC[NH2+]C[C@H]1CC[N@@H+](C)C1 37484538 572161660 /nfs/dbraw/zinc/16/16/60/572161660.db2.gz OPDHAIBJUAIQBM-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP C[NH2+]CC[C@H](C)[N@H+]1CCCCC[C@H]1C 69945769 572162063 /nfs/dbraw/zinc/16/20/63/572162063.db2.gz MPMIDAGWYOFXHO-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 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/nfs/dbraw/zinc/16/22/97/572162297.db2.gz WUSLOOWVPNKBDR-NWDGAFQWSA-N 2 1 198.354 2.378 10 0 AEAEMP C[NH2+]CC[C@H](C)[N@H+]1CCCCC[C@@H]1C 69945770 572162744 /nfs/dbraw/zinc/16/27/44/572162744.db2.gz MPMIDAGWYOFXHO-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCc1[nH+]ccn1[C@H](C)[C@@H](C)[NH2+]C 69963792 572163043 /nfs/dbraw/zinc/16/30/43/572163043.db2.gz BAKAQOMFSHHLPX-NXEZZACHSA-N 2 1 195.310 2.005 10 0 AEAEMP C[C@H]1CCCCC[N@H+]1CCCCC[NH3+] 69944442 572163182 /nfs/dbraw/zinc/16/31/82/572163182.db2.gz SCSKTWOQCRKHAJ-LBPRGKRZSA-N 2 1 198.354 2.380 10 0 AEAEMP CCCCCC[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484537 572163241 /nfs/dbraw/zinc/16/32/41/572163241.db2.gz OPDHAIBJUAIQBM-LBPRGKRZSA-N 2 1 198.354 2.108 10 0 AEAEMP CCCc1[nH+]ccn1[C@@H](C)[C@@H]([NH3+])CC 69963555 572163582 /nfs/dbraw/zinc/16/35/82/572163582.db2.gz NAURRAHQFYMGKR-UWVGGRQHSA-N 2 1 195.310 2.134 10 0 AEAEMP C[NH2+]CCCC[N@H+]1CCCCC[C@H]1C 69945373 572163669 /nfs/dbraw/zinc/16/36/69/572163669.db2.gz HEFGTMORAISSSJ-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCc1[nH+]ccn1[C@@H](C)CCC[NH3+] 69964801 572164050 /nfs/dbraw/zinc/16/40/50/572164050.db2.gz IQRMEAAVWREHSN-JTQLQIEISA-N 2 1 195.310 2.136 10 0 AEAEMP CCCc1[nH+]ccn1[C@@H](C)[C@H]([NH3+])CC 69963551 572163821 /nfs/dbraw/zinc/16/38/21/572163821.db2.gz NAURRAHQFYMGKR-VHSXEESVSA-N 2 1 195.310 2.134 10 0 AEAEMP CC[NH2+]CCC[N@H+]1CCCCC[C@H]1C 69944789 572163955 /nfs/dbraw/zinc/16/39/55/572163955.db2.gz MKNPBMMNDHWWOO-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP C[NH2+]C[C@H](C)C[N@H+]1CCCCC[C@H]1C 69945767 572163992 /nfs/dbraw/zinc/16/39/92/572163992.db2.gz LNIFYJBYSUAKNB-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCc1[nH+]ccn1[C@H](C)CCC[NH3+] 69964803 572164601 /nfs/dbraw/zinc/16/46/01/572164601.db2.gz IQRMEAAVWREHSN-SNVBAGLBSA-N 2 1 195.310 2.136 10 0 AEAEMP CCCc1[nH+]ccn1[C@@H](C)CC[NH2+]C 69964753 572164965 /nfs/dbraw/zinc/16/49/65/572164965.db2.gz FCZQFLCILTWBKU-JTQLQIEISA-N 2 1 195.310 2.006 10 0 AEAEMP CCCc1[nH+]ccn1[C@H](C)[C@H]([NH3+])CC 69963552 572165000 /nfs/dbraw/zinc/16/50/00/572165000.db2.gz NAURRAHQFYMGKR-NXEZZACHSA-N 2 1 195.310 2.134 10 0 AEAEMP C[NH2+][C@H](C)CC[N@H+]1CCCCC[C@H]1C 69944764 572165036 /nfs/dbraw/zinc/16/50/36/572165036.db2.gz CXNLDZAVAMLMDP-VXGBXAGGSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+]CC[N@@H+]1CCCCC[C@@H]1C 69944749 572165073 /nfs/dbraw/zinc/16/50/73/572165073.db2.gz QKVWHJKYGQESDE-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[NH2+]CC[N@H+]1CCCCC[C@@H]1C 69944749 572165077 /nfs/dbraw/zinc/16/50/77/572165077.db2.gz QKVWHJKYGQESDE-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCCCC[N@H+]1CC[NH2+]C[C@H](C)C1 70020262 572166823 /nfs/dbraw/zinc/16/68/23/572166823.db2.gz OTRJXZKUGPUIHT-LBPRGKRZSA-N 2 1 198.354 2.108 10 0 AEAEMP CCCCCC[N@H+]1CC[NH2+]C[C@@H](C)C1 70020266 572167876 /nfs/dbraw/zinc/16/78/76/572167876.db2.gz OTRJXZKUGPUIHT-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@H]1CC[NH2+]C[C@@H]1C 70045671 572168176 /nfs/dbraw/zinc/16/81/76/572168176.db2.gz GSKLXXORKBZPPS-JQWIXIFHSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@@H]1CC[NH2+]C[C@@H]1C 70045669 572170088 /nfs/dbraw/zinc/17/00/88/572170088.db2.gz GSKLXXORKBZPPS-CMPLNLGQSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)[C@@H]1CC[NH2+]C[C@@H]1C 70045672 572169701 /nfs/dbraw/zinc/16/97/01/572169701.db2.gz YAKAUOXCLCUILQ-QJPTWQEYSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+]C[C@@H]1C 70045674 572170237 /nfs/dbraw/zinc/17/02/37/572170237.db2.gz YAKAUOXCLCUILQ-SDDRHHMPSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCC[N@@H+](CCC[NH3+])CC(C)C 43417408 572171378 /nfs/dbraw/zinc/17/13/78/572171378.db2.gz RRENRYFZQGJOLD-UHFFFAOYSA-N 2 1 186.343 2.093 10 0 AEAEMP CCC[C@H](C)[N@H+]1CC[C@](C)(C[NH2+]C)C1 300400297 572172659 /nfs/dbraw/zinc/17/26/59/572172659.db2.gz VSYTYRPPFKAMHV-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@@H+](CC)[C@@H]1CC[NH2+]C[C@@H]1C 70045374 572172776 /nfs/dbraw/zinc/17/27/76/572172776.db2.gz IHRREYHVTNRJOR-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C)[N@H+]1CC[C@](C)(C[NH2+]C)C1 300400298 572172852 /nfs/dbraw/zinc/17/28/52/572172852.db2.gz VSYTYRPPFKAMHV-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@@H+](CC)[C@H]1CC[NH2+]C[C@@H]1C 70045376 572173666 /nfs/dbraw/zinc/17/36/66/572173666.db2.gz IHRREYHVTNRJOR-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 220186353 572175539 /nfs/dbraw/zinc/17/55/39/572175539.db2.gz ACUCTFVQLSCHDR-QJPTWQEYSA-N 2 1 196.338 2.010 10 0 AEAEMP CCCC[C@@H](C)C[NH2+]CC[NH2+]CC 300961939 572177078 /nfs/dbraw/zinc/17/70/78/572177078.db2.gz QPAHDUZLAVAEST-LLVKDONJSA-N 2 1 186.343 2.012 10 0 AEAEMP CCCC[C@H](C)C[NH2+]CC[NH2+]CC 300961941 572178003 /nfs/dbraw/zinc/17/80/03/572178003.db2.gz QPAHDUZLAVAEST-NSHDSACASA-N 2 1 186.343 2.012 10 0 AEAEMP CCCCC[N@H+]1C[C@@H](C)CN[C@@H](C)C1 249789368 572178928 /nfs/dbraw/zinc/17/89/28/572178928.db2.gz JAUCMBZPHLVZOF-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCC[N@@H+]1C[C@H](C)NC[C@@H](C)C1 249789365 572179314 /nfs/dbraw/zinc/17/93/14/572179314.db2.gz JAUCMBZPHLVZOF-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP C[NH2+]C[C@H](C)C[N@H+]1[C@@H](C)CCC[C@H]1C 70066197 572179488 /nfs/dbraw/zinc/17/94/88/572179488.db2.gz GXZXEHMHGNUPHN-SDDRHHMPSA-N 2 1 198.354 2.105 10 0 AEAEMP C[NH2+]CC[NH2+]C(C)(C)CC(C)(C)C 43437389 572180727 /nfs/dbraw/zinc/18/07/27/572180727.db2.gz CGFAKFOUFROGJP-UHFFFAOYSA-N 2 1 186.343 2.010 10 0 AEAEMP CCC[N@H+]1CCC[NH2+][C@@H]([C@@H](C)CC)C1 82941188 572180772 /nfs/dbraw/zinc/18/07/72/572180772.db2.gz PEFKRKJFECZVPM-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCN(CC)[C@@H](C)[C@@H]([NH3+])CC 19267462 572181210 /nfs/dbraw/zinc/18/12/10/572181210.db2.gz CCXQPYVJHDMFHC-QWRGUYRKSA-N 2 1 186.343 2.234 10 0 AEAEMP CC[C@H](N)[C@@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 19255729 572181251 /nfs/dbraw/zinc/18/12/51/572181251.db2.gz HQVSGDIXROKTHY-KXNHARMFSA-N 2 1 198.354 2.090 10 0 AEAEMP CCC[N@H+]1CCC[NH2+][C@H]([C@@H](C)CC)C1 82941186 572181463 /nfs/dbraw/zinc/18/14/63/572181463.db2.gz PEFKRKJFECZVPM-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H](N)[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 19255733 572183188 /nfs/dbraw/zinc/18/31/88/572183188.db2.gz HQVSGDIXROKTHY-USZNOCQGSA-N 2 1 198.354 2.090 10 0 AEAEMP CCC[N@H+]1CCC[C@H](C[C@H](C)C[NH3+])C1 249860337 572188867 /nfs/dbraw/zinc/18/88/67/572188867.db2.gz ADKLABKOBDVCSD-NWDGAFQWSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[N@H+]1CCC[C@@H](C[C@H](C)C[NH3+])C1 249860340 572189472 /nfs/dbraw/zinc/18/94/72/572189472.db2.gz ADKLABKOBDVCSD-RYUDHWBXSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[N@H+]1Cc2ccc([C@@H](C)[NH3+])cc2C1 214613081 572190300 /nfs/dbraw/zinc/19/03/00/572190300.db2.gz OUKLUAGVRFOORH-SECBINFHSA-N 2 1 190.290 2.042 10 0 AEAEMP CC[N@H+]1Cc2ccc([C@H](C)[NH3+])cc2C1 214613132 572190903 /nfs/dbraw/zinc/19/09/03/572190903.db2.gz OUKLUAGVRFOORH-VIFPVBQESA-N 2 1 190.290 2.042 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@@H](CC)CC(N)=[NH2+] 38718499 572198711 /nfs/dbraw/zinc/19/87/11/572198711.db2.gz KIPQWHLXCHWEST-JTQLQIEISA-N 2 1 199.342 2.211 10 0 AEAEMP CCC[N@@H+](C(C)C)[C@@H](CC)CC(N)=[NH2+] 39134796 572201762 /nfs/dbraw/zinc/20/17/62/572201762.db2.gz CFQGAGDWBUCPJY-JTQLQIEISA-N 2 1 199.342 2.211 10 0 AEAEMP CCC(CC)(CC)[NH2+]CC[NH2+]C1CC1 83388606 572206719 /nfs/dbraw/zinc/20/67/19/572206719.db2.gz SCNGNCCXRDLIAO-UHFFFAOYSA-N 2 1 198.354 2.297 10 0 AEAEMP CCC(CC)(CC)[NH2+]C[C@H](C)[NH2+]C 83388623 572206760 /nfs/dbraw/zinc/20/67/60/572206760.db2.gz HLWQNELHIUPTCP-JTQLQIEISA-N 2 1 186.343 2.153 10 0 AEAEMP CC[NH2+]CC[NH2+]C(CC)(CC)CC 83388689 572206961 /nfs/dbraw/zinc/20/69/61/572206961.db2.gz VYFHSYFQLVTTOZ-UHFFFAOYSA-N 2 1 186.343 2.154 10 0 AEAEMP CCC(CC)(CC)[N@H+]1CC[C@H](C[NH3+])C1 83388192 572208313 /nfs/dbraw/zinc/20/83/13/572208313.db2.gz FWIBDYAZEAAHDV-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC(CC)(CC)[NH2+]C[C@@H](C)[NH2+]C 83388622 572208584 /nfs/dbraw/zinc/20/85/84/572208584.db2.gz HLWQNELHIUPTCP-SNVBAGLBSA-N 2 1 186.343 2.153 10 0 AEAEMP CCCCC[C@@H](C[NH3+])[N@@H+]1CC[C@H](C)C1 40717338 572211141 /nfs/dbraw/zinc/21/11/41/572211141.db2.gz HZOMECAZABEREB-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCCC[C@@H](C[NH3+])[N@H+]1CC[C@H](C)C1 40717338 572211144 /nfs/dbraw/zinc/21/11/44/572211144.db2.gz HZOMECAZABEREB-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@H+](C1CCCCC1)[C@@H](C)CC[NH3+] 41042500 572211896 /nfs/dbraw/zinc/21/18/96/572211896.db2.gz OSTIXTRYGWYUNX-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CCCCC[C@H](C[NH3+])[N@@H+]1CC[C@H](C)C1 40717340 572212443 /nfs/dbraw/zinc/21/24/43/572212443.db2.gz HZOMECAZABEREB-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCCC[C@H](C[NH3+])[N@H+]1CC[C@H](C)C1 40717340 572212444 /nfs/dbraw/zinc/21/24/44/572212444.db2.gz HZOMECAZABEREB-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@H+](C1CCCCC1)[C@H](C)CC[NH3+] 41042501 572212929 /nfs/dbraw/zinc/21/29/29/572212929.db2.gz OSTIXTRYGWYUNX-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CC(C)c1[nH+]ccn1[C@H]1CCC[C@H]1[NH3+] 20261986 572213760 /nfs/dbraw/zinc/21/37/60/572213760.db2.gz QHIMEZFXLMYMRA-ZJUUUORDSA-N 2 1 193.294 2.059 10 0 AEAEMP CCC[C@@H]1CCC[C@@H]([NH2+]CC[NH3+])CC1 83437542 572214293 /nfs/dbraw/zinc/21/42/93/572214293.db2.gz USHHIMFSTZEUNH-VXGBXAGGSA-N 2 1 198.354 2.284 10 0 AEAEMP CCC[C@H]1CCC[C@](C[NH3+])([NH2+]C)CC1 83437709 572214404 /nfs/dbraw/zinc/21/44/04/572214404.db2.gz QTYMONWQHKXZOY-RYUDHWBXSA-N 2 1 198.354 2.284 10 0 AEAEMP CC(C)[C@H]1CCC[C@H]([NH2+]CC[NH3+])CC1 83437537 572214419 /nfs/dbraw/zinc/21/44/19/572214419.db2.gz JSFSOEKMEVQWFS-RYUDHWBXSA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)[C@@H]1CCC[C@H]([NH2+]CC[NH3+])CC1 83437536 572214441 /nfs/dbraw/zinc/21/44/41/572214441.db2.gz JSFSOEKMEVQWFS-NEPJUHHUSA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)c1[nH+]ccn1[C@H]1CCC[C@@H]1[NH3+] 20261981 572214474 /nfs/dbraw/zinc/21/44/74/572214474.db2.gz QHIMEZFXLMYMRA-UWVGGRQHSA-N 2 1 193.294 2.059 10 0 AEAEMP CC(C)[C@H]1CCC[C@@H]([NH2+]CC[NH3+])CC1 83437539 572214506 /nfs/dbraw/zinc/21/45/06/572214506.db2.gz JSFSOEKMEVQWFS-NWDGAFQWSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC[C@@H]1CCC[C@](C[NH3+])([NH2+]C)CC1 83437708 572214991 /nfs/dbraw/zinc/21/49/91/572214991.db2.gz QTYMONWQHKXZOY-NEPJUHHUSA-N 2 1 198.354 2.284 10 0 AEAEMP CCC[C@@H]1CCC[C@@](C[NH3+])([NH2+]C)CC1 83437706 572214834 /nfs/dbraw/zinc/21/48/34/572214834.db2.gz QTYMONWQHKXZOY-VXGBXAGGSA-N 2 1 198.354 2.284 10 0 AEAEMP CCC[C@H]1CCC[C@H]([NH2+]CC[NH3+])CC1 83437541 572214911 /nfs/dbraw/zinc/21/49/11/572214911.db2.gz USHHIMFSTZEUNH-RYUDHWBXSA-N 2 1 198.354 2.284 10 0 AEAEMP CC(C)c1[nH+]ccn1[C@@H]1CCC[C@H]1[NH3+] 20261983 572214980 /nfs/dbraw/zinc/21/49/80/572214980.db2.gz QHIMEZFXLMYMRA-NXEZZACHSA-N 2 1 193.294 2.059 10 0 AEAEMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[NH3+])CC1 83437538 572215064 /nfs/dbraw/zinc/21/50/64/572215064.db2.gz JSFSOEKMEVQWFS-VXGBXAGGSA-N 2 1 198.354 2.140 10 0 AEAEMP C[NH2+][C@H](C)C[N@H+](CCC(C)C)C1CC1 109623670 572218070 /nfs/dbraw/zinc/21/80/70/572218070.db2.gz WPZDWBPHTAVEEJ-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP C[NH2+][C@H](C)C[N@@H+](CCC(C)C)C1CC1 109623670 572218071 /nfs/dbraw/zinc/21/80/71/572218071.db2.gz WPZDWBPHTAVEEJ-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)c1[nH+]ccn1[C@@H]1CCC[C@@H]1[NH3+] 20261978 572215227 /nfs/dbraw/zinc/21/52/27/572215227.db2.gz QHIMEZFXLMYMRA-VHSXEESVSA-N 2 1 193.294 2.059 10 0 AEAEMP CCC[C@H]1CCC[C@@](C[NH3+])([NH2+]C)CC1 83437707 572215292 /nfs/dbraw/zinc/21/52/92/572215292.db2.gz QTYMONWQHKXZOY-NWDGAFQWSA-N 2 1 198.354 2.284 10 0 AEAEMP CCC[C@@H]1CCC[C@H]([NH2+]CC[NH3+])CC1 83437540 572215574 /nfs/dbraw/zinc/21/55/74/572215574.db2.gz USHHIMFSTZEUNH-NEPJUHHUSA-N 2 1 198.354 2.284 10 0 AEAEMP CCC[C@H]1CCC[C@@H]([NH2+]CC[NH3+])CC1 83437543 572215687 /nfs/dbraw/zinc/21/56/87/572215687.db2.gz USHHIMFSTZEUNH-NWDGAFQWSA-N 2 1 198.354 2.284 10 0 AEAEMP CC[C@@H]([NH3+])[C@@H](C)n1cc[nH+]c1C(C)C 20262135 572215782 /nfs/dbraw/zinc/21/57/82/572215782.db2.gz LHFGTPZUCOQGRX-NXEZZACHSA-N 2 1 195.310 2.305 10 0 AEAEMP CCC[NH2+][C@@H]1CCC[N@@H+](CCC)CC1 83421267 572216202 /nfs/dbraw/zinc/21/62/02/572216202.db2.gz ZHACMBQNYWILLL-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)CC1 83421423 572216558 /nfs/dbraw/zinc/21/65/58/572216558.db2.gz DALTVJYXNCTIQS-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 83417750 572216611 /nfs/dbraw/zinc/21/66/11/572216611.db2.gz FYVVRLISHYNSSZ-VXGBXAGGSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CC)CC1 83421432 572216633 /nfs/dbraw/zinc/21/66/33/572216633.db2.gz DALTVJYXNCTIQS-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H](C)[NH2+][C@H]1CCC[N@@H+](CC)CC1 83421433 572216661 /nfs/dbraw/zinc/21/66/61/572216661.db2.gz DALTVJYXNCTIQS-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 83421264 572216803 /nfs/dbraw/zinc/21/68/03/572216803.db2.gz JOXYHUBUSUAEDN-LBPRGKRZSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCCC[NH2+][C@H]1CCC[N@@H+](C)CC1 83417748 572216810 /nfs/dbraw/zinc/21/68/10/572216810.db2.gz OSWAZTPCWHJKGO-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCC[NH2+][C@H]1CCC[N@@H+](CC)CC1 83421622 572216835 /nfs/dbraw/zinc/21/68/35/572216835.db2.gz SAJNVJFXMRBYGD-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[N@H+]1CCC/C(=C\CC[NH3+])CC1 83424081 572216843 /nfs/dbraw/zinc/21/68/43/572216843.db2.gz ZVAFZZJMIWEMTR-LFYBBSHMSA-N 2 1 196.338 2.158 10 0 AEAEMP CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 83417757 572216963 /nfs/dbraw/zinc/21/69/63/572216963.db2.gz FYVVRLISHYNSSZ-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)CC1 83421422 572217061 /nfs/dbraw/zinc/21/70/61/572217061.db2.gz DALTVJYXNCTIQS-VXGBXAGGSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC(CC)[NH2+][C@@H]1CCC[N@@H+](C)CC1 83417726 572217110 /nfs/dbraw/zinc/21/71/10/572217110.db2.gz LWLNUOKHEMQCFG-GFCCVEGCSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC(CC)[NH2+][C@H]1CCC[N@@H+](C)CC1 83417728 572217436 /nfs/dbraw/zinc/21/74/36/572217436.db2.gz LWLNUOKHEMQCFG-LBPRGKRZSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 83418837 572217494 /nfs/dbraw/zinc/21/74/94/572217494.db2.gz QLOYLKBNFBPNAT-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[N@H+]1CCC[C@@H]([NH2+]CC(C)C)CC1 83421440 572217505 /nfs/dbraw/zinc/21/75/05/572217505.db2.gz SFJZBSVXQJADAL-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC(C)(C)[NH2+]C1CC[NH+](C)CC1 687796792 572217687 /nfs/dbraw/zinc/21/76/87/572217687.db2.gz UPIXHRXHRKBHFV-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCC[NH2+][C@@H]1CCC[N@@H+](CC)CC1 83421620 572218786 /nfs/dbraw/zinc/21/87/86/572218786.db2.gz SAJNVJFXMRBYGD-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[NH2+][C@H]1CCC[N@@H+](CCC)CC1 83421270 572218545 /nfs/dbraw/zinc/21/85/45/572218545.db2.gz ZHACMBQNYWILLL-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[N@H+]1CCC[C@H]([NH2+]CC(C)C)CC1 83421439 572219192 /nfs/dbraw/zinc/21/91/92/572219192.db2.gz SFJZBSVXQJADAL-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 83417754 572218756 /nfs/dbraw/zinc/21/87/56/572218756.db2.gz FYVVRLISHYNSSZ-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 83417752 572218977 /nfs/dbraw/zinc/21/89/77/572218977.db2.gz FYVVRLISHYNSSZ-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)CC1 83421391 572218993 /nfs/dbraw/zinc/21/89/93/572218993.db2.gz AEDPQCVPUGKKDU-GFCCVEGCSA-N 2 1 198.354 2.249 10 0 AEAEMP C[NH2+][C@@H](C)C[N@H+](CCC(C)C)C1CC1 109623673 572219043 /nfs/dbraw/zinc/21/90/43/572219043.db2.gz WPZDWBPHTAVEEJ-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP C[NH2+][C@@H](C)C[N@@H+](CCC(C)C)C1CC1 109623673 572219044 /nfs/dbraw/zinc/21/90/44/572219044.db2.gz WPZDWBPHTAVEEJ-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)C[NH2+][C@H]1CCC[N@@H+](C)CC1 83418846 572219093 /nfs/dbraw/zinc/21/90/93/572219093.db2.gz QLOYLKBNFBPNAT-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[N@H+]1CCC[C@H]([NH2+]C(C)C)CC1 83421389 572219167 /nfs/dbraw/zinc/21/91/67/572219167.db2.gz AEDPQCVPUGKKDU-LBPRGKRZSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 83421263 572219266 /nfs/dbraw/zinc/21/92/66/572219266.db2.gz JOXYHUBUSUAEDN-GFCCVEGCSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 83417744 572219525 /nfs/dbraw/zinc/21/95/25/572219525.db2.gz OSWAZTPCWHJKGO-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 83418836 572219566 /nfs/dbraw/zinc/21/95/66/572219566.db2.gz QLOYLKBNFBPNAT-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](C)CC1 83418844 572219671 /nfs/dbraw/zinc/21/96/71/572219671.db2.gz QLOYLKBNFBPNAT-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCC[C@]1(C)[C@H]([NH3+])CC[N@H+]1CC 711973336 572220013 /nfs/dbraw/zinc/22/00/13/572220013.db2.gz BMCDYRCBJRVJOZ-VXGBXAGGSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)C1CC1 43823545 572220096 /nfs/dbraw/zinc/22/00/96/572220096.db2.gz LLRNRJCOOUNELP-NEPJUHHUSA-N 2 1 196.338 2.001 10 0 AEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)C1CC1 43823545 572220098 /nfs/dbraw/zinc/22/00/98/572220098.db2.gz LLRNRJCOOUNELP-NEPJUHHUSA-N 2 1 196.338 2.001 10 0 AEAEMP CCC[NH2+][C@@]1(C[NH3+])CCC[C@H](C)CC1 83428281 572220321 /nfs/dbraw/zinc/22/03/21/572220321.db2.gz TWIRFZRBDLDADM-RYUDHWBXSA-N 2 1 198.354 2.284 10 0 AEAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)CC 43820326 572220524 /nfs/dbraw/zinc/22/05/24/572220524.db2.gz XMNAQCDSWLHFAY-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)CC 43820326 572220526 /nfs/dbraw/zinc/22/05/26/572220526.db2.gz XMNAQCDSWLHFAY-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@]1(C[NH3+])CCC[C@@H](C)CC1 83428282 572220960 /nfs/dbraw/zinc/22/09/60/572220960.db2.gz TWIRFZRBDLDADM-VXGBXAGGSA-N 2 1 198.354 2.284 10 0 AEAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@H](CC)CC1 83436021 572221563 /nfs/dbraw/zinc/22/15/63/572221563.db2.gz IFWOIBLJKPSZKP-RYUDHWBXSA-N 2 1 198.354 2.284 10 0 AEAEMP CCC[NH2+][C@@]1(C[NH3+])CCC[C@@H](C)CC1 83428283 572221747 /nfs/dbraw/zinc/22/17/47/572221747.db2.gz TWIRFZRBDLDADM-NEPJUHHUSA-N 2 1 198.354 2.284 10 0 AEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)CCC 43886282 572221859 /nfs/dbraw/zinc/22/18/59/572221859.db2.gz JOFHCJJZDIPKKX-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)CCC 43886282 572221861 /nfs/dbraw/zinc/22/18/61/572221861.db2.gz JOFHCJJZDIPKKX-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@@H](CC)CC1 83436020 572222015 /nfs/dbraw/zinc/22/20/15/572222015.db2.gz IFWOIBLJKPSZKP-NEPJUHHUSA-N 2 1 198.354 2.284 10 0 AEAEMP CCC[NH2+][C@]1(C[NH3+])CCC[C@H](C)CC1 83428280 572222008 /nfs/dbraw/zinc/22/20/08/572222008.db2.gz TWIRFZRBDLDADM-NWDGAFQWSA-N 2 1 198.354 2.284 10 0 AEAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@H](CC)CC1 83436019 572222305 /nfs/dbraw/zinc/22/23/05/572222305.db2.gz IFWOIBLJKPSZKP-NWDGAFQWSA-N 2 1 198.354 2.284 10 0 AEAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@@H](CC)CC1 83436018 572222330 /nfs/dbraw/zinc/22/23/30/572222330.db2.gz IFWOIBLJKPSZKP-VXGBXAGGSA-N 2 1 198.354 2.284 10 0 AEAEMP C/C=C/C[N@H+]1CCC[NH2+][C@](C)(CC)C1 234112693 572222789 /nfs/dbraw/zinc/22/27/89/572222789.db2.gz ULOYCWWADTYYCL-FVOPLDGLSA-N 2 1 196.338 2.027 10 0 AEAEMP CCC(CC)[N@@H+](C)CC[C@@H](C)[NH2+]C 43895951 572223772 /nfs/dbraw/zinc/22/37/72/572223772.db2.gz DUYZXBBWBDOBOH-SNVBAGLBSA-N 2 1 186.343 2.105 10 0 AEAEMP CC[NH+](CC)C[C@H]1CCCCCC[NH2+]1 300985417 572224324 /nfs/dbraw/zinc/22/43/24/572224324.db2.gz ISFWMUSXAZRZJN-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[NH+](CC)C[C@@H]1CCCCCC[NH2+]1 300985418 572224456 /nfs/dbraw/zinc/22/44/56/572224456.db2.gz ISFWMUSXAZRZJN-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[NH2+][C@H](C)CC[N@H+]1CCC[C@@H]1C 43903918 572225481 /nfs/dbraw/zinc/22/54/81/572225481.db2.gz KYGAJJTYHMBRBI-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@H](C)[C@@H](C)[N@H+](C)CC1CC1 43906784 572225935 /nfs/dbraw/zinc/22/59/35/572225935.db2.gz GWJVZSGHAPZYJL-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)CC1CC1 43906784 572225940 /nfs/dbraw/zinc/22/59/40/572225940.db2.gz GWJVZSGHAPZYJL-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C 36907478 572227441 /nfs/dbraw/zinc/22/74/41/572227441.db2.gz CBWDDOWKBMBAGK-FIQHERPVSA-N 2 1 198.354 2.103 10 0 AEAEMP C[NH2+][C@H](C)CC[N@@H+](CC1CC1)C(C)C 43974493 572230513 /nfs/dbraw/zinc/23/05/13/572230513.db2.gz OKDNBUZRJSCMSF-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP CCN[C@@H](C)C[N@@H+]1CCCCC[C@@H]1C 70409247 572230222 /nfs/dbraw/zinc/23/02/22/572230222.db2.gz HSKGUNKZTDHVKK-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCN[C@@H](C)C[N@H+]1CCCCC[C@@H]1C 70409247 572230226 /nfs/dbraw/zinc/23/02/26/572230226.db2.gz HSKGUNKZTDHVKK-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)CC[C@@H]([NH3+])c1c[nH+]ccc1N 69845476 572230991 /nfs/dbraw/zinc/23/09/91/572230991.db2.gz ZFWAPKUMFHCQKU-SNVBAGLBSA-N 2 1 193.294 2.100 10 0 AEAEMP CCN[C@H](C)C[N@@H+]1CCCCC[C@@H]1C 70409248 572231663 /nfs/dbraw/zinc/23/16/63/572231663.db2.gz HSKGUNKZTDHVKK-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CCN[C@H](C)C[N@H+]1CCCCC[C@@H]1C 70409248 572231665 /nfs/dbraw/zinc/23/16/65/572231665.db2.gz HSKGUNKZTDHVKK-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)CC[C@H]([NH3+])c1c[nH+]ccc1N 69845474 572233292 /nfs/dbraw/zinc/23/32/92/572233292.db2.gz ZFWAPKUMFHCQKU-JTQLQIEISA-N 2 1 193.294 2.100 10 0 AEAEMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 42491956 572235712 /nfs/dbraw/zinc/23/57/12/572235712.db2.gz RXMKGTOMUACXBA-WOPDTQHZSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H](CC[NH3+])[N@@H+](C)[C@H]1CCC[C@@H](C)C1 42492003 572236144 /nfs/dbraw/zinc/23/61/44/572236144.db2.gz CRRLZXIETKCDHF-WOPDTQHZSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[N@@H+](C(C)C)[C@@H]1C[C@H](C)CC[C@@H]1N 37082077 572236325 /nfs/dbraw/zinc/23/63/25/572236325.db2.gz BLUXVBVJJBZHSH-GRYCIOLGSA-N 2 1 198.354 2.233 10 0 AEAEMP CC(C)CC[N@@H+]1CC[C@@H]([NH2+]C(C)C)C1 70584776 572236422 /nfs/dbraw/zinc/23/64/22/572236422.db2.gz SEMRWRPDXCAGMK-GFCCVEGCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)CC[N@H+]1CC[C@@H]([NH2+]C(C)C)C1 70584776 572236424 /nfs/dbraw/zinc/23/64/24/572236424.db2.gz SEMRWRPDXCAGMK-GFCCVEGCSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C(C)C)C1 70584422 572236925 /nfs/dbraw/zinc/23/69/25/572236925.db2.gz ICHGYVZHDZQIJJ-LLVKDONJSA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)[NH2+]CCCC[N@H+]1CCC[C@H]1C 37911230 572236709 /nfs/dbraw/zinc/23/67/09/572236709.db2.gz PTTANHYVZHQKHT-GFCCVEGCSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCCC[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1 70586273 572236710 /nfs/dbraw/zinc/23/67/10/572236710.db2.gz GJECVHCMYNSINP-RYUDHWBXSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC(C)(C)[N@H+]1CC[C@@H]([NH2+]C(C)C)C1 70584422 572236928 /nfs/dbraw/zinc/23/69/28/572236928.db2.gz ICHGYVZHDZQIJJ-LLVKDONJSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)CC)C1 70584304 572237192 /nfs/dbraw/zinc/23/71/92/572237192.db2.gz IMRIINBQAYBCLH-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@@H]1CCC[N@H+]([C@@H](C)CC)C1 70584304 572237193 /nfs/dbraw/zinc/23/71/93/572237193.db2.gz IMRIINBQAYBCLH-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[NH2+][C@H](CC)[C@H](C)[N@H+]1CC[C@H](C)C1 43908660 572237198 /nfs/dbraw/zinc/23/71/98/572237198.db2.gz UQOIVKJMMFEZOE-SDDRHHMPSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)C[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 70585324 572237306 /nfs/dbraw/zinc/23/73/06/572237306.db2.gz USZHRCCZCONMER-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)C[N@H+]1CC[C@H]([NH2+]C(C)C)C1 70585324 572237307 /nfs/dbraw/zinc/23/73/07/572237307.db2.gz USZHRCCZCONMER-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 70584853 572237429 /nfs/dbraw/zinc/23/74/29/572237429.db2.gz KTDFPIIBSNIVBQ-RYUDHWBXSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[C@H](C)[N@H+]1CC[C@H]([NH2+]C(C)C)C1 70584853 572237436 /nfs/dbraw/zinc/23/74/36/572237436.db2.gz KTDFPIIBSNIVBQ-RYUDHWBXSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[NH2+][C@@H]1CCC[N@H+](CC(C)C)C1 70584381 572237836 /nfs/dbraw/zinc/23/78/36/572237836.db2.gz LVFPZTZVHOTJML-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+][C@@H]1CCC[N@@H+](CC(C)C)C1 70584381 572237839 /nfs/dbraw/zinc/23/78/39/572237839.db2.gz LVFPZTZVHOTJML-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[NH2+]CCCC[N@H+]1CCC[C@@H]1C 37911231 572237886 /nfs/dbraw/zinc/23/78/86/572237886.db2.gz PTTANHYVZHQKHT-LBPRGKRZSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 70584399 572237977 /nfs/dbraw/zinc/23/79/77/572237977.db2.gz CRXPZSDBZZHUNS-NSHDSACASA-N 2 1 198.354 2.247 10 0 AEAEMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C(C)C)C1 70584399 572237978 /nfs/dbraw/zinc/23/79/78/572237978.db2.gz CRXPZSDBZZHUNS-NSHDSACASA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[C@@H](C)[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 70584852 572238007 /nfs/dbraw/zinc/23/80/07/572238007.db2.gz KTDFPIIBSNIVBQ-NEPJUHHUSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[C@@H](C)[N@H+]1CC[C@H]([NH2+]C(C)C)C1 70584852 572238009 /nfs/dbraw/zinc/23/80/09/572238009.db2.gz KTDFPIIBSNIVBQ-NEPJUHHUSA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)CC[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 70584775 572238095 /nfs/dbraw/zinc/23/80/95/572238095.db2.gz SEMRWRPDXCAGMK-LBPRGKRZSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)CC[N@H+]1CC[C@H]([NH2+]C(C)C)C1 70584775 572238102 /nfs/dbraw/zinc/23/81/02/572238102.db2.gz SEMRWRPDXCAGMK-LBPRGKRZSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCCC[N@@H+]1CCC[C@@H]([NH2+]CC)C1 70584807 572238152 /nfs/dbraw/zinc/23/81/52/572238152.db2.gz XQKKTCVCSQYHOV-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCCC[N@H+]1CCC[C@@H]([NH2+]CC)C1 70584807 572238156 /nfs/dbraw/zinc/23/81/56/572238156.db2.gz XQKKTCVCSQYHOV-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[C@@H](C)[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70584854 572238206 /nfs/dbraw/zinc/23/82/06/572238206.db2.gz VVHKROXNDOKWAX-PWSUYJOCSA-N 2 1 196.338 2.001 10 0 AEAEMP 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572349003 /nfs/dbraw/zinc/34/90/03/572349003.db2.gz XYNJUHFCTMUIBQ-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[N@H+](CC)[C@H](C)C[NH2+]C(C)C 52448121 572349131 /nfs/dbraw/zinc/34/91/31/572349131.db2.gz PJIWMZUWXPXJFE-LLVKDONJSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[N@@H+](CC)[C@H](C)C[NH2+]C(C)C 52448121 572349134 /nfs/dbraw/zinc/34/91/34/572349134.db2.gz PJIWMZUWXPXJFE-LLVKDONJSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[C@@H](C[NH3+])C[N@H+]1CCCC1(C)C 83609153 572349342 /nfs/dbraw/zinc/34/93/42/572349342.db2.gz VIZMFEOWWRNSHJ-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[N@H+]1CC[C@H](C[C@@H]([NH3+])C(C)C)C1 238218022 572349391 /nfs/dbraw/zinc/34/93/91/572349391.db2.gz DPQRKRPCVMAZRV-VXGBXAGGSA-N 2 1 198.354 2.092 10 0 AEAEMP CCCCC[N@@H+](C)[C@@H](C)CC[NH2+]C 52454726 572349546 /nfs/dbraw/zinc/34/95/46/572349546.db2.gz ROTKPRFRJPQNKM-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@@H](C[NH3+])C[N@@H+](C)CC1CCC1 83608993 572349627 /nfs/dbraw/zinc/34/96/27/572349627.db2.gz WBJCTGWWTRMLIM-LBPRGKRZSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@@H](C[NH3+])C[N@H+]1CCCCC[C@@H]1C 83609499 572349640 /nfs/dbraw/zinc/34/96/40/572349640.db2.gz BHNQMUYOSVQHIH-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@H](C[NH3+])C[N@@H+](CC)CC1CC1 83609422 572349757 /nfs/dbraw/zinc/34/97/57/572349757.db2.gz VQXOQFUXPAJSDT-GFCCVEGCSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@H](C[NH3+])C[N@H+]1CCCCC[C@@H]1C 83609501 572350021 /nfs/dbraw/zinc/35/00/21/572350021.db2.gz BHNQMUYOSVQHIH-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@H](C[NH3+])C[N@H+]1CCCC(C)(C)C1 83609472 572350060 /nfs/dbraw/zinc/35/00/60/572350060.db2.gz DXXOKHLJYVKOIF-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[N@@H+](C)CCCC[NH2+]C(C)(C)C 52445772 572350067 /nfs/dbraw/zinc/35/00/67/572350067.db2.gz XTLUOGUTXAXHNN-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@H](C[NH3+])C[N@H+]1CCCC1(C)C 83609154 572350110 /nfs/dbraw/zinc/35/01/10/572350110.db2.gz VIZMFEOWWRNSHJ-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCCC1(C)C 83609161 572350215 /nfs/dbraw/zinc/35/02/15/572350215.db2.gz ZSLVJIRBONXTBI-NSHDSACASA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@H](C[NH3+])C[N@@H+](C)CC1CCC1 83608996 572350374 /nfs/dbraw/zinc/35/03/74/572350374.db2.gz WBJCTGWWTRMLIM-GFCCVEGCSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@H](C[NH3+])C[N@H+]1CCC[C@H](C)CC1 83609285 572350653 /nfs/dbraw/zinc/35/06/53/572350653.db2.gz CMQDSYYMQPXUPJ-NWDGAFQWSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[C@@H](C[NH3+])C[N@@H+](CC)CC1CC1 83609420 572350558 /nfs/dbraw/zinc/35/05/58/572350558.db2.gz VQXOQFUXPAJSDT-LBPRGKRZSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@@H](C[NH3+])C[N@H+]1CCCC(C)(C)C1 83609470 572350594 /nfs/dbraw/zinc/35/05/94/572350594.db2.gz DXXOKHLJYVKOIF-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@@H](C[NH3+])C[N@@H+](C)C(C)(C)CC 83609435 572350668 /nfs/dbraw/zinc/35/06/68/572350668.db2.gz MHVVCJFZECKILV-JTQLQIEISA-N 2 1 186.343 2.092 10 0 AEAEMP CC[N@H+](C1CCCC1)[C@@H](C)CC[NH2+]C 52457705 572350809 /nfs/dbraw/zinc/35/08/09/572350809.db2.gz LKULBKSBAOVBJQ-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H](C[NH3+])C[N@H+]1CC[C@H](C)C[C@@H]1C 83608857 572350876 /nfs/dbraw/zinc/35/08/76/572350876.db2.gz FSBBPOKRCAOWQW-SDDRHHMPSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@H](C[NH3+])C[N@@H+](C)C(C)(C)CC 83609437 572350908 /nfs/dbraw/zinc/35/09/08/572350908.db2.gz MHVVCJFZECKILV-SNVBAGLBSA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@H](C[NH3+])C[N@@H+](C)CC1CCCC1 83609297 572351308 /nfs/dbraw/zinc/35/13/08/572351308.db2.gz OKMMWNKFNFGRGP-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[NH2+]CCCC[N@@H+](CC)C(C)C 52446502 572351515 /nfs/dbraw/zinc/35/15/15/572351515.db2.gz JZYVCPYHYFFPJB-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[N@@H+](CC)[C@@H](C)CC[NH2+]C1CC1 52448669 572352084 /nfs/dbraw/zinc/35/20/84/572352084.db2.gz GTMRTZZEQIWIDI-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)[N@@H+](C)CCC(C)(C)C[NH3+] 83636878 572354520 /nfs/dbraw/zinc/35/45/20/572354520.db2.gz XXOPBINSSOMIPO-SNVBAGLBSA-N 2 1 186.343 2.092 10 0 AEAEMP C[C@H](C1CC1)[N@@H+](C)CCC(C)(C)C[NH3+] 83636940 572354910 /nfs/dbraw/zinc/35/49/10/572354910.db2.gz ONYRYDFWDRTXNU-SNVBAGLBSA-N 2 1 198.354 2.092 10 0 AEAEMP CCCCCC[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87039342 572355172 /nfs/dbraw/zinc/35/51/72/572355172.db2.gz QJSWEGHQZWHQTM-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87039340 572355315 /nfs/dbraw/zinc/35/53/15/572355315.db2.gz QJSWEGHQZWHQTM-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)[C@@H](C)CCC[NH3+] 52480688 572355471 /nfs/dbraw/zinc/35/54/71/572355471.db2.gz NANODOWAGGAJNL-MNOVXSKESA-N 2 1 186.343 2.234 10 0 AEAEMP C[C@@H]1CCCC[N@H+]1CCC(C)(C)C[NH3+] 83636770 572355480 /nfs/dbraw/zinc/35/54/80/572355480.db2.gz PWROIKKMWVABAX-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@@H]1CCC[N@@H+](CCC(C)(C)C[NH3+])C1 83636784 572355599 /nfs/dbraw/zinc/35/55/99/572355599.db2.gz JAYCLDQCUBECPO-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP C[C@@H](C1CC1)[N@@H+](C)CCC(C)(C)C[NH3+] 83636938 572355664 /nfs/dbraw/zinc/35/56/64/572355664.db2.gz ONYRYDFWDRTXNU-JTQLQIEISA-N 2 1 198.354 2.092 10 0 AEAEMP CC[N@@H+](CCC(C)(C)C[NH3+])C(C)C 83636860 572355917 /nfs/dbraw/zinc/35/59/17/572355917.db2.gz KVWANOPAMVLKEQ-UHFFFAOYSA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@@H]1CCC[N@H+]([C@@H](C)CCC[NH3+])C1 52479799 572356010 /nfs/dbraw/zinc/35/60/10/572356010.db2.gz CGTXXMZOERCGQD-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@H]1CCCC[N@H+]1CCC(C)(C)C[NH3+] 83636773 572356779 /nfs/dbraw/zinc/35/67/79/572356779.db2.gz PWROIKKMWVABAX-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@H]1CCC[N@@H+](CCC(C)(C)C[NH3+])C1 83636786 572356841 /nfs/dbraw/zinc/35/68/41/572356841.db2.gz JAYCLDQCUBECPO-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@H](C)[N@@H+](C)CCC(C)(C)C[NH3+] 83636880 572357183 /nfs/dbraw/zinc/35/71/83/572357183.db2.gz XXOPBINSSOMIPO-JTQLQIEISA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[N@@H+](CCC(C)(C)C[NH3+])C1CC1 83636872 572357352 /nfs/dbraw/zinc/35/73/52/572357352.db2.gz FUVWHBBBJPJFNJ-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP C[N@@H+](CCC(C)(C)C[NH3+])C1CCCC1 83636867 572357595 /nfs/dbraw/zinc/35/75/95/572357595.db2.gz BHHLUDCIKUMGGY-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP C[N@@H+](CCC(C)(C)C[NH3+])CC1CCC1 83637229 572357617 /nfs/dbraw/zinc/35/76/17/572357617.db2.gz IOSUVVCOLOVLOI-UHFFFAOYSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1CCC(C)(C)C[NH3+] 83637013 572357677 /nfs/dbraw/zinc/35/76/77/572357677.db2.gz HJNURZZCQAAJER-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[N@@H+](CC)CCC(C)(C)C[NH3+] 83636868 572357905 /nfs/dbraw/zinc/35/79/05/572357905.db2.gz JLLJBHQEZSPCSV-UHFFFAOYSA-N 2 1 186.343 2.093 10 0 AEAEMP CC[C@H]1CCC[N@H+]1CCC(C)(C)C[NH3+] 83637014 572358097 /nfs/dbraw/zinc/35/80/97/572358097.db2.gz HJNURZZCQAAJER-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@@H+](CCC(C)(C)C[NH3+])CC1CC1 83637344 572359366 /nfs/dbraw/zinc/35/93/66/572359366.db2.gz NTHWRFZSSOLCOS-UHFFFAOYSA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)(C[NH3+])CC[N@H+]1CCCC1(C)C 83637263 572359410 /nfs/dbraw/zinc/35/94/10/572359410.db2.gz WEDIQPVLMLLWGM-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CC1(C)CCC[N@@H+](CCCC[NH3+])CC1 83680163 572359436 /nfs/dbraw/zinc/35/94/36/572359436.db2.gz HESBWFKDTQVQCI-UHFFFAOYSA-N 2 1 198.354 2.237 10 0 AEAEMP CC[C@H](C)[N@@H+](C)CCC(C)(C)C(N)=[NH2+] 83639494 572363088 /nfs/dbraw/zinc/36/30/88/572363088.db2.gz XIXPFEDIPZEPLY-VIFPVBQESA-N 2 1 199.342 2.069 10 0 AEAEMP C[N@@H+](CCCC(C)(C)C[NH3+])CC1CC1 83640893 572362586 /nfs/dbraw/zinc/36/25/86/572362586.db2.gz ODOCGLJHOSMFRZ-UHFFFAOYSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@@H](C)[N@@H+](C)CCC(C)(C)C(N)=[NH2+] 83639493 572362774 /nfs/dbraw/zinc/36/27/74/572362774.db2.gz XIXPFEDIPZEPLY-SECBINFHSA-N 2 1 199.342 2.069 10 0 AEAEMP C[C@@H]1CCC[N@H+]1CCCC(C)(C)C[NH3+] 83640887 572362930 /nfs/dbraw/zinc/36/29/30/572362930.db2.gz ZVRQYVJGOJAMAD-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@H]1CC[N@@H+](CCCC(C)(C)C[NH3+])C1 83640900 572363169 /nfs/dbraw/zinc/36/31/69/572363169.db2.gz SPLYKOHGOGLUGW-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP CC[N@@H+](CCC(C)(C)C(N)=[NH2+])C(C)C 83639483 572363273 /nfs/dbraw/zinc/36/32/73/572363273.db2.gz ZHDGPCYJFLREKP-UHFFFAOYSA-N 2 1 199.342 2.069 10 0 AEAEMP C[C@H]1CCC[N@H+]1CCCC(C)(C)C[NH3+] 83640888 572363332 /nfs/dbraw/zinc/36/33/32/572363332.db2.gz ZVRQYVJGOJAMAD-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[N@@H+](C)CCC(C)(C)C(N)=[NH2+] 83639459 572363556 /nfs/dbraw/zinc/36/35/56/572363556.db2.gz PRBDJICARJNHDW-UHFFFAOYSA-N 2 1 199.342 2.071 10 0 AEAEMP C[C@@H]1CC[N@@H+](CCCC(C)(C)C[NH3+])C1 83640899 572363370 /nfs/dbraw/zinc/36/33/70/572363370.db2.gz SPLYKOHGOGLUGW-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[N@@H+](C)CCCC(C)(C)C[NH3+] 83640780 572363433 /nfs/dbraw/zinc/36/34/33/572363433.db2.gz DDXCYLVOPZNFTC-UHFFFAOYSA-N 2 1 186.343 2.093 10 0 AEAEMP CC[N@@H+](CCCC(C)(C)C[NH3+])C1CC1 83640768 572363441 /nfs/dbraw/zinc/36/34/41/572363441.db2.gz KRPXLVVEVFMWNV-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[N@@H+](CC)CCC(C)(C)C(N)=[NH2+] 83639488 572363499 /nfs/dbraw/zinc/36/34/99/572363499.db2.gz NZFXWSLKCYAPEG-UHFFFAOYSA-N 2 1 199.342 2.071 10 0 AEAEMP CC[NH2+]CC[N@H+](CC)CCCC1CC1 406044487 572368852 /nfs/dbraw/zinc/36/88/52/572368852.db2.gz UAQQTHPXHWEZMQ-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[NH2+]CC[N@@H+](CC)CCCC1CC1 406044487 572368857 /nfs/dbraw/zinc/36/88/57/572368857.db2.gz UAQQTHPXHWEZMQ-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[N@@H+](C)CCCC(C)(C)CC[NH3+] 83683825 572375238 /nfs/dbraw/zinc/37/52/38/572375238.db2.gz PEKMHVXHYBDZKL-UHFFFAOYSA-N 2 1 186.343 2.093 10 0 AEAEMP C[C@@H]([NH3+])CCC[C@@H](C)C[N@@H+](C)C1CC1 83683833 572376824 /nfs/dbraw/zinc/37/68/24/572376824.db2.gz IZFQAIJIZPBYKZ-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@@H](CCC[C@@H](C)[NH3+])C[N@@H+](C)C1CC1 83683832 572376462 /nfs/dbraw/zinc/37/64/62/572376462.db2.gz IZFQAIJIZPBYKZ-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[N@@H+](C)C[C@H](C)CCC[C@@H](C)[NH3+] 83683827 572378088 /nfs/dbraw/zinc/37/80/88/572378088.db2.gz FVZNRMXQUHVLST-GHMZBOCLSA-N 2 1 186.343 2.092 10 0 AEAEMP C[N@@H+](CCCC(C)(C)CC[NH3+])C1CC1 83683831 572378098 /nfs/dbraw/zinc/37/80/98/572378098.db2.gz VEXUVELJYNELJS-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@@H+](C)C[C@@H](C)CCC[C@@H](C)[NH3+] 83683826 572378402 /nfs/dbraw/zinc/37/84/02/572378402.db2.gz FVZNRMXQUHVLST-WDEREUQCSA-N 2 1 186.343 2.092 10 0 AEAEMP C[C@H]([NH3+])CCC[C@@H](C)C[N@@H+](C)C1CC1 83683835 572378784 /nfs/dbraw/zinc/37/87/84/572378784.db2.gz IZFQAIJIZPBYKZ-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(CC)[N@@H+](CC)C[C@@H](C)C(N)=[NH2+] 87157554 572379328 /nfs/dbraw/zinc/37/93/28/572379328.db2.gz WMXLNVVQOBVUCZ-SECBINFHSA-N 2 1 199.342 2.069 10 0 AEAEMP CCC(CC)[NH2+][C@@H](C[NH3+])CC(C)C 87156963 572379338 /nfs/dbraw/zinc/37/93/38/572379338.db2.gz BLZVWTKXSXQQBP-LLVKDONJSA-N 2 1 186.343 2.138 10 0 AEAEMP CCC(CC)[NH2+][C@H](C[NH3+])CC(C)C 87156961 572379466 /nfs/dbraw/zinc/37/94/66/572379466.db2.gz BLZVWTKXSXQQBP-NSHDSACASA-N 2 1 186.343 2.138 10 0 AEAEMP CC(C)(C)[NH2+]/C=C\C[NH2+]C(C)(C)C 308005626 572379864 /nfs/dbraw/zinc/37/98/64/572379864.db2.gz CFNWEJCFJSZPQJ-FPLPWBNLSA-N 2 1 184.327 2.276 10 0 AEAEMP CCC(CC)[N@@H+](CC)C[C@@H](C)C[NH3+] 87157010 572379885 /nfs/dbraw/zinc/37/98/85/572379885.db2.gz QWMHNAXZQIJCIR-JTQLQIEISA-N 2 1 186.343 2.092 10 0 AEAEMP CCC(CC)[N@@H+](CC)C[C@H](C)C[NH3+] 87157012 572380040 /nfs/dbraw/zinc/38/00/40/572380040.db2.gz QWMHNAXZQIJCIR-SNVBAGLBSA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[N@@H+](CCNC)C(CC)CC 87157701 572380075 /nfs/dbraw/zinc/38/00/75/572380075.db2.gz FXLOZEBJEAKWFK-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CCNC[C@@H]1CCC[N@H+]1C(CC)CC 87157704 572380365 /nfs/dbraw/zinc/38/03/65/572380365.db2.gz NXWLLNUKVXLCSF-LBPRGKRZSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@@H+](CCC[NH3+])C(CC)CC 87156884 572380545 /nfs/dbraw/zinc/38/05/45/572380545.db2.gz PNXFWMBLYBDHHV-UHFFFAOYSA-N 2 1 186.343 2.236 10 0 AEAEMP CCC(CC)[N@@H+](CCC[NH3+])C(C)C 87156886 572381620 /nfs/dbraw/zinc/38/16/20/572381620.db2.gz SPRSOYUWINPTGL-UHFFFAOYSA-N 2 1 186.343 2.234 10 0 AEAEMP C[C@@H]([NH3+])C[C@@H]1CCC[N@H+]1CC(C)(C)C 713245542 572381647 /nfs/dbraw/zinc/38/16/47/572381647.db2.gz YSIRHWPGEPILSY-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@H]([NH3+])C[C@@H]1CCC[N@H+]1CC(C)(C)C 713245546 572381937 /nfs/dbraw/zinc/38/19/37/572381937.db2.gz YSIRHWPGEPILSY-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(CC)[NH2+]C1(C[NH3+])CCCC1 87156966 572382009 /nfs/dbraw/zinc/38/20/09/572382009.db2.gz SSCWUZYMOPXGNT-UHFFFAOYSA-N 2 1 184.327 2.036 10 0 AEAEMP CCNC[C@H]1CCC[N@H+]1C(CC)CC 87157702 572382321 /nfs/dbraw/zinc/38/23/21/572382321.db2.gz NXWLLNUKVXLCSF-GFCCVEGCSA-N 2 1 198.354 2.249 10 0 AEAEMP C[C@H]([NH3+])C[C@H]1CCC[N@H+]1CC(C)(C)C 713245549 572382272 /nfs/dbraw/zinc/38/22/72/572382272.db2.gz YSIRHWPGEPILSY-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@@H]([NH3+])C[C@H]1CCC[N@H+]1CC(C)(C)C 713245537 572382398 /nfs/dbraw/zinc/38/23/98/572382398.db2.gz YSIRHWPGEPILSY-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(CC)[NH2+]C(CC)(CC)C[NH3+] 87156964 572382477 /nfs/dbraw/zinc/38/24/77/572382477.db2.gz VKXUJLGALZIWKU-UHFFFAOYSA-N 2 1 186.343 2.282 10 0 AEAEMP CCC(CC)[N@@H+](CCC(N)=[NH2+])C(C)C 87157557 572382807 /nfs/dbraw/zinc/38/28/07/572382807.db2.gz HOSMIAABXPZIJX-UHFFFAOYSA-N 2 1 199.342 2.211 10 0 AEAEMP CCC(CC)[N@H+]1CCC[C@@H]1CCC[NH3+] 87174311 572383515 /nfs/dbraw/zinc/38/35/15/572383515.db2.gz SRJPYYPMUXNITE-LBPRGKRZSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC(CC)[N@H+]1CCC[C@H]1CCC[NH3+] 87174313 572383881 /nfs/dbraw/zinc/38/38/81/572383881.db2.gz SRJPYYPMUXNITE-GFCCVEGCSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[NH2+][C@H](C[N@H+](C)[C@H](C)CC)C1CC1 252034307 572386852 /nfs/dbraw/zinc/38/68/52/572386852.db2.gz ZXYAECVANJYBHW-ZYHUDNBSSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@H](C[N@@H+](C)[C@H](C)CC)C1CC1 252034307 572386857 /nfs/dbraw/zinc/38/68/57/572386857.db2.gz ZXYAECVANJYBHW-ZYHUDNBSSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@H+]1CCCC[C@@H]1C[C@@H]([NH3+])C(C)C 238228619 572392812 /nfs/dbraw/zinc/39/28/12/572392812.db2.gz DCSFAAGVNCQPPZ-VXGBXAGGSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[C@H](C[NH3+])[NH2+]C1CCCCCC1 83758512 572394515 /nfs/dbraw/zinc/39/45/15/572394515.db2.gz KRXYJTJCBKWVKP-LBPRGKRZSA-N 2 1 198.354 2.282 10 0 AEAEMP CC[C@@H](C)[NH2+][C@@](C)(C[NH3+])CC(C)C 83760704 572393774 /nfs/dbraw/zinc/39/37/74/572393774.db2.gz PTIWWSLJIKDTHI-GHMZBOCLSA-N 2 1 186.343 2.138 10 0 AEAEMP CCC[C@@H](C[NH3+])[NH2+]C1CCCCC1 83760084 572393812 /nfs/dbraw/zinc/39/38/12/572393812.db2.gz HJPPBXXXBKXXMV-NSHDSACASA-N 2 1 184.327 2.036 10 0 AEAEMP CC[C@@H](C)[NH2+]C1(C[NH3+])CCCCCC1 83760469 572394473 /nfs/dbraw/zinc/39/44/73/572394473.db2.gz ZTRMWCWMAKFEBI-LLVKDONJSA-N 2 1 198.354 2.426 10 0 AEAEMP C[C@](C[NH3+])([NH2+]C1CCCCC1)C1CC1 83760121 572394352 /nfs/dbraw/zinc/39/43/52/572394352.db2.gz APOIMBGZKYNVBG-GFCCVEGCSA-N 2 1 196.338 2.036 10 0 AEAEMP CC[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)(C)C 83760627 572394391 /nfs/dbraw/zinc/39/43/91/572394391.db2.gz JMNSATLJXROREY-ZJUUUORDSA-N 2 1 186.343 2.138 10 0 AEAEMP CCC[C@H](C)[C@H](C[NH3+])[NH2+][C@@H](C)CC 83760611 572394563 /nfs/dbraw/zinc/39/45/63/572394563.db2.gz SLXYWFRLTDEVHH-DCAQKATOSA-N 2 1 186.343 2.138 10 0 AEAEMP CC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C(C)C)C1 238229852 572394643 /nfs/dbraw/zinc/39/46/43/572394643.db2.gz NEWIZMLLRMQUGY-NWDGAFQWSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@](C[NH3+])([NH2+]C1CCCCC1)C1CC1 83760124 572395160 /nfs/dbraw/zinc/39/51/60/572395160.db2.gz APOIMBGZKYNVBG-LBPRGKRZSA-N 2 1 196.338 2.036 10 0 AEAEMP CC[C@@H](C)[NH2+][C@](C)(C[NH3+])CC(C)C 83760699 572395072 /nfs/dbraw/zinc/39/50/72/572395072.db2.gz PTIWWSLJIKDTHI-MNOVXSKESA-N 2 1 186.343 2.138 10 0 AEAEMP CC[C@](C)(C[NH3+])[NH2+]C1CCCCCC1 83758514 572394739 /nfs/dbraw/zinc/39/47/39/572394739.db2.gz SACVAULWOFVDIZ-GFCCVEGCSA-N 2 1 198.354 2.426 10 0 AEAEMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C1CCCCC1 83760025 572394899 /nfs/dbraw/zinc/39/48/99/572394899.db2.gz KDRMSNSEJAFDOL-LLVKDONJSA-N 2 1 198.354 2.282 10 0 AEAEMP CC[C@H](C)[NH2+]C1(C[NH3+])CCCCCC1 83760472 572394990 /nfs/dbraw/zinc/39/49/90/572394990.db2.gz ZTRMWCWMAKFEBI-NSHDSACASA-N 2 1 198.354 2.426 10 0 AEAEMP CC[C@H](C)[NH2+][C@](C)(C[NH3+])CC(C)C 83760702 572395049 /nfs/dbraw/zinc/39/50/49/572395049.db2.gz PTIWWSLJIKDTHI-QWRGUYRKSA-N 2 1 186.343 2.138 10 0 AEAEMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CCCCC1 83760026 572395056 /nfs/dbraw/zinc/39/50/56/572395056.db2.gz KDRMSNSEJAFDOL-NSHDSACASA-N 2 1 198.354 2.282 10 0 AEAEMP CC[C@H](C[NH3+])[NH2+]C1CCCCCC1 83758499 572395060 /nfs/dbraw/zinc/39/50/60/572395060.db2.gz IUZATOCLKSNOMF-SNVBAGLBSA-N 2 1 184.327 2.036 10 0 AEAEMP CC[C@H](C)[NH2+][C@@](C)(C[NH3+])CC(C)C 83760706 572395207 /nfs/dbraw/zinc/39/52/07/572395207.db2.gz PTIWWSLJIKDTHI-WDEREUQCSA-N 2 1 186.343 2.138 10 0 AEAEMP CC[C@@H](C)[NH2+]C1(C[NH3+])CCC(C)CC1 83760337 572395305 /nfs/dbraw/zinc/39/53/05/572395305.db2.gz CYZSPTWNFLRBFI-MOENNCHZSA-N 2 1 198.354 2.282 10 0 AEAEMP CCC[C@@H](C[NH3+])[NH2+]C1CCCCCC1 83758486 572395371 /nfs/dbraw/zinc/39/53/71/572395371.db2.gz HYUXRXVPRDSVAD-LBPRGKRZSA-N 2 1 198.354 2.426 10 0 AEAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CC[C@@H](CC)C1 83760523 572395522 /nfs/dbraw/zinc/39/55/22/572395522.db2.gz TZOLLOWLQSXSLV-QJPTWQEYSA-N 2 1 198.354 2.282 10 0 AEAEMP CCC[C@@](C)(C[NH3+])[NH2+]C1CCCCC1 83760089 572395602 /nfs/dbraw/zinc/39/56/02/572395602.db2.gz GLGZMJLNYLFLSG-LBPRGKRZSA-N 2 1 198.354 2.426 10 0 AEAEMP CC[N@H+]1CCCC[C@H]1C[C@@H]([NH3+])C(C)C 238228990 572395694 /nfs/dbraw/zinc/39/56/94/572395694.db2.gz DCSFAAGVNCQPPZ-NWDGAFQWSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)(C)C 83760631 572395959 /nfs/dbraw/zinc/39/59/59/572395959.db2.gz JMNSATLJXROREY-NXEZZACHSA-N 2 1 186.343 2.138 10 0 AEAEMP CC[C@@H](C[NH3+])[NH2+]C1CCCCCC1 83758498 572396023 /nfs/dbraw/zinc/39/60/23/572396023.db2.gz IUZATOCLKSNOMF-JTQLQIEISA-N 2 1 184.327 2.036 10 0 AEAEMP CC[C@H](C)[NH2+][C@H](C[NH3+])CC(C)(C)C 83760629 572396037 /nfs/dbraw/zinc/39/60/37/572396037.db2.gz JMNSATLJXROREY-UWVGGRQHSA-N 2 1 186.343 2.138 10 0 AEAEMP CCC[C@](C)(C[NH3+])[NH2+]C1CCCCC1 83760091 572396084 /nfs/dbraw/zinc/39/60/84/572396084.db2.gz GLGZMJLNYLFLSG-GFCCVEGCSA-N 2 1 198.354 2.426 10 0 AEAEMP CCC[C@H](C)[C@@H](C[NH3+])[NH2+][C@@H](C)CC 83760609 572396312 /nfs/dbraw/zinc/39/63/12/572396312.db2.gz SLXYWFRLTDEVHH-GARJFASQSA-N 2 1 186.343 2.138 10 0 AEAEMP CC[C@](C)(C[NH3+])[NH2+]C1CCCCC1 83760165 572396783 /nfs/dbraw/zinc/39/67/83/572396783.db2.gz JQKCIKZVZGAEFV-LLVKDONJSA-N 2 1 184.327 2.036 10 0 AEAEMP CCC[C@H](C[NH3+])[NH2+]C1CCCCCC1 83758487 572396967 /nfs/dbraw/zinc/39/69/67/572396967.db2.gz HYUXRXVPRDSVAD-GFCCVEGCSA-N 2 1 198.354 2.426 10 0 AEAEMP CC[C@H](C)[NH2+]C1(C[NH3+])CCCCC1 83760343 572397017 /nfs/dbraw/zinc/39/70/17/572397017.db2.gz JXSNKFUIVRPVEO-JTQLQIEISA-N 2 1 184.327 2.036 10 0 AEAEMP CC(C)[C@@H](C[NH3+])[NH2+]C1CCCCCC1 83758511 572397024 /nfs/dbraw/zinc/39/70/24/572397024.db2.gz KRXYJTJCBKWVKP-GFCCVEGCSA-N 2 1 198.354 2.282 10 0 AEAEMP CCC(CC)[C@@H](C[NH3+])[NH2+][C@H](C)CC 83761308 572399353 /nfs/dbraw/zinc/39/93/53/572399353.db2.gz QMOJOYPJTOKGBJ-MWLCHTKSSA-N 2 1 186.343 2.138 10 0 AEAEMP CC[C@H](C)[NH2+][C@@]1(C[NH3+])CC[C@@H](CC)C1 83760527 572397195 /nfs/dbraw/zinc/39/71/95/572397195.db2.gz TZOLLOWLQSXSLV-TUAOUCFPSA-N 2 1 198.354 2.282 10 0 AEAEMP CC[C@@H](C)[NH2+]C1(C[NH3+])CCCCC1 83760341 572397460 /nfs/dbraw/zinc/39/74/60/572397460.db2.gz JXSNKFUIVRPVEO-SNVBAGLBSA-N 2 1 184.327 2.036 10 0 AEAEMP CC[C@H](C)[NH2+]C1(C[NH3+])CCC(C)CC1 83760340 572397674 /nfs/dbraw/zinc/39/76/74/572397674.db2.gz CYZSPTWNFLRBFI-CXQJBGSLSA-N 2 1 198.354 2.282 10 0 AEAEMP CCC(CC)(C[NH3+])[NH2+]C1CCCCC1 83760115 572397735 /nfs/dbraw/zinc/39/77/35/572397735.db2.gz VWLKPKIPABHJKE-UHFFFAOYSA-N 2 1 198.354 2.426 10 0 AEAEMP CC(C)[C@](C)(C[NH3+])[NH2+]C1CCCCC1 83760097 572397854 /nfs/dbraw/zinc/39/78/54/572397854.db2.gz JMNCWUPSPCJXIW-LBPRGKRZSA-N 2 1 198.354 2.282 10 0 AEAEMP CC[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)(C)C 83760633 572397934 /nfs/dbraw/zinc/39/79/34/572397934.db2.gz JMNSATLJXROREY-VHSXEESVSA-N 2 1 186.343 2.138 10 0 AEAEMP CCCCC[C@H](C[NH3+])[NH2+][C@H](C)CC 83761010 572398868 /nfs/dbraw/zinc/39/88/68/572398868.db2.gz IIKKAJWILYWNNR-GHMZBOCLSA-N 2 1 186.343 2.282 10 0 AEAEMP CCC[C@@](C)(C[NH3+])[NH2+]C1CCCC1 83762424 572398927 /nfs/dbraw/zinc/39/89/27/572398927.db2.gz POTKYBLHQGXCBG-NSHDSACASA-N 2 1 184.327 2.036 10 0 AEAEMP CCCCC[C@@H](C[NH3+])[NH2+]CC(C)C 83761819 572398989 /nfs/dbraw/zinc/39/89/89/572398989.db2.gz HXHYEFOXNHBSRW-NSHDSACASA-N 2 1 186.343 2.140 10 0 AEAEMP CC[C@H]1CC[C@@](C[NH3+])([NH2+]CC(C)C)C1 83761520 572399007 /nfs/dbraw/zinc/39/90/07/572399007.db2.gz RCDLSZUOYCDUEA-NWDGAFQWSA-N 2 1 198.354 2.140 10 0 AEAEMP CCCCC[C@H](C[NH3+])[NH2+]C1CCCC1 83762591 572399023 /nfs/dbraw/zinc/39/90/23/572399023.db2.gz QUSPVTGWSXVDPA-GFCCVEGCSA-N 2 1 198.354 2.426 10 0 AEAEMP CCCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC 83761008 572399039 /nfs/dbraw/zinc/39/90/39/572399039.db2.gz IIKKAJWILYWNNR-MNOVXSKESA-N 2 1 186.343 2.282 10 0 AEAEMP CCC(CC)[C@@H](C[NH3+])[NH2+][C@@H](C)CC 83761309 572399044 /nfs/dbraw/zinc/39/90/44/572399044.db2.gz QMOJOYPJTOKGBJ-GXSJLCMTSA-N 2 1 186.343 2.138 10 0 AEAEMP CC(C)C[NH2+][C@]1(C[NH3+])CCC[C@H](C)C1 83761940 572399254 /nfs/dbraw/zinc/39/92/54/572399254.db2.gz CQBKZOSDNQBYSA-NWDGAFQWSA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)C[NH2+][C@]1(C[NH3+])CCCC[C@@H]1C 83761954 572399278 /nfs/dbraw/zinc/39/92/78/572399278.db2.gz WQMLJPRHNKQFCK-RYUDHWBXSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC(CC)[C@H](C[NH3+])[NH2+]C1CCCC1 83762780 572399390 /nfs/dbraw/zinc/39/93/90/572399390.db2.gz GXYYXMVGADZAEL-LBPRGKRZSA-N 2 1 198.354 2.282 10 0 AEAEMP CCC(CC)[C@H](C[NH3+])[NH2+][C@H](C)CC 83761305 572399619 /nfs/dbraw/zinc/39/96/19/572399619.db2.gz QMOJOYPJTOKGBJ-KOLCDFICSA-N 2 1 186.343 2.138 10 0 AEAEMP CCC[C@](C)(C[NH3+])[NH2+]C1CCCC1 83762426 572399651 /nfs/dbraw/zinc/39/96/51/572399651.db2.gz POTKYBLHQGXCBG-LLVKDONJSA-N 2 1 184.327 2.036 10 0 AEAEMP CCCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC 83761004 572399971 /nfs/dbraw/zinc/39/99/71/572399971.db2.gz IIKKAJWILYWNNR-QWRGUYRKSA-N 2 1 186.343 2.282 10 0 AEAEMP CCCCCC[C@@H](C[NH3+])[NH2+]CC1CC1 83763692 572400024 /nfs/dbraw/zinc/40/00/24/572400024.db2.gz LPOYIFRFESMXRA-LBPRGKRZSA-N 2 1 198.354 2.284 10 0 AEAEMP CC[C@H](C)[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1C 83761170 572401448 /nfs/dbraw/zinc/40/14/48/572401448.db2.gz UOBAJCXLAWRONU-SDDRHHMPSA-N 2 1 198.354 2.282 10 0 AEAEMP CCCCC[C@H](C[NH3+])[NH2+]CC(C)C 83761823 572400264 /nfs/dbraw/zinc/40/02/64/572400264.db2.gz HXHYEFOXNHBSRW-LLVKDONJSA-N 2 1 186.343 2.140 10 0 AEAEMP CC(C)C[NH2+][C@@]1(C[NH3+])CCC[C@@H](C)C1 83761944 572400270 /nfs/dbraw/zinc/40/02/70/572400270.db2.gz CQBKZOSDNQBYSA-NEPJUHHUSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CCCC[C@@H]1C 83761167 572400538 /nfs/dbraw/zinc/40/05/38/572400538.db2.gz UOBAJCXLAWRONU-SRVKXCTJSA-N 2 1 198.354 2.282 10 0 AEAEMP CCCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC 83761006 572400665 /nfs/dbraw/zinc/40/06/65/572400665.db2.gz IIKKAJWILYWNNR-WDEREUQCSA-N 2 1 186.343 2.282 10 0 AEAEMP CCC(CC)[C@@H](C[NH3+])[NH2+]C1CCCC1 83762776 572400812 /nfs/dbraw/zinc/40/08/12/572400812.db2.gz GXYYXMVGADZAEL-GFCCVEGCSA-N 2 1 198.354 2.282 10 0 AEAEMP CCCC(C[NH3+])(CCC)[NH2+]CC1CC1 83763544 572400859 /nfs/dbraw/zinc/40/08/59/572400859.db2.gz QBJAZWIQQHXOHD-UHFFFAOYSA-N 2 1 198.354 2.284 10 0 AEAEMP CCCCCC[C@H](C[NH3+])[NH2+]CC1CC1 83763694 572400904 /nfs/dbraw/zinc/40/09/04/572400904.db2.gz LPOYIFRFESMXRA-GFCCVEGCSA-N 2 1 198.354 2.284 10 0 AEAEMP CCCCC[C@@H](C[NH3+])[NH2+]C1CCCC1 83762585 572400975 /nfs/dbraw/zinc/40/09/75/572400975.db2.gz QUSPVTGWSXVDPA-LBPRGKRZSA-N 2 1 198.354 2.426 10 0 AEAEMP CC[C@H]1CC[C@](C[NH3+])([NH2+]CC(C)C)C1 83761524 572401040 /nfs/dbraw/zinc/40/10/40/572401040.db2.gz RCDLSZUOYCDUEA-RYUDHWBXSA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)CC[C@](C)(C[NH3+])[NH2+]CC1CC1 83763985 572401110 /nfs/dbraw/zinc/40/11/10/572401110.db2.gz GGPKUILSWTYJFV-GFCCVEGCSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[C@@H]1CC[C@@](C[NH3+])([NH2+]CC(C)C)C1 83761518 572401498 /nfs/dbraw/zinc/40/14/98/572401498.db2.gz RCDLSZUOYCDUEA-VXGBXAGGSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC(CC)[C@H](C[NH3+])[NH2+][C@@H](C)CC 83761307 572401591 /nfs/dbraw/zinc/40/15/91/572401591.db2.gz QMOJOYPJTOKGBJ-ONGXEEELSA-N 2 1 186.343 2.138 10 0 AEAEMP CCCC[C@](CC)(C[NH3+])[NH2+]CC1CC1 83763734 572401750 /nfs/dbraw/zinc/40/17/50/572401750.db2.gz UFPWZCRREMFUKQ-GFCCVEGCSA-N 2 1 198.354 2.284 10 0 AEAEMP CC(C)C[NH2+]C1(C[NH3+])CCCCCC1 83761490 572401785 /nfs/dbraw/zinc/40/17/85/572401785.db2.gz LBBFQPRIXLNTPV-UHFFFAOYSA-N 2 1 198.354 2.284 10 0 AEAEMP CC(C)C[C@@](C)(C[NH3+])[NH2+]C1CCCC1 83762419 572401863 /nfs/dbraw/zinc/40/18/63/572401863.db2.gz JDCALWMEEZUTBS-LBPRGKRZSA-N 2 1 198.354 2.282 10 0 AEAEMP CC(C)C[NH2+][C@@]1(C[NH3+])CCC[C@H](C)C1 83761946 572402014 /nfs/dbraw/zinc/40/20/14/572402014.db2.gz CQBKZOSDNQBYSA-RYUDHWBXSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC(CC)(C[NH3+])[NH2+]C1CCCC1 83762472 572402144 /nfs/dbraw/zinc/40/21/44/572402144.db2.gz YDJXCYBODPILJL-UHFFFAOYSA-N 2 1 184.327 2.036 10 0 AEAEMP CC(C)C[NH2+][C@@]1(C[NH3+])CCCC[C@H]1C 83761959 572402431 /nfs/dbraw/zinc/40/24/31/572402431.db2.gz WQMLJPRHNKQFCK-VXGBXAGGSA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)C[NH2+][C@]1(C[NH3+])CCCC[C@H]1C 83761951 572402512 /nfs/dbraw/zinc/40/25/12/572402512.db2.gz WQMLJPRHNKQFCK-NEPJUHHUSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[C@H](C)[NH2+][C@@]1(C[NH3+])CCC[C@H](C)C1 83761159 572402715 /nfs/dbraw/zinc/40/27/15/572402715.db2.gz OWISENZUFCUYNU-SRVKXCTJSA-N 2 1 198.354 2.282 10 0 AEAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CCC[C@H](C)C1 83761155 572402978 /nfs/dbraw/zinc/40/29/78/572402978.db2.gz OWISENZUFCUYNU-SDDRHHMPSA-N 2 1 198.354 2.282 10 0 AEAEMP CC(C)CC[C@@](C)(C[NH3+])[NH2+]CC1CC1 83763983 572403099 /nfs/dbraw/zinc/40/30/99/572403099.db2.gz GGPKUILSWTYJFV-LBPRGKRZSA-N 2 1 198.354 2.140 10 0 AEAEMP CCCC[C@@](CC)(C[NH3+])[NH2+]CC1CC1 83763733 572403204 /nfs/dbraw/zinc/40/32/04/572403204.db2.gz UFPWZCRREMFUKQ-LBPRGKRZSA-N 2 1 198.354 2.284 10 0 AEAEMP CC(C)C[C@](C)(C[NH3+])[NH2+]C1CCCC1 83762421 572403220 /nfs/dbraw/zinc/40/32/20/572403220.db2.gz JDCALWMEEZUTBS-GFCCVEGCSA-N 2 1 198.354 2.282 10 0 AEAEMP CC[C@@H]1CC[C@](C[NH3+])([NH2+]CC(C)C)C1 83761521 572403302 /nfs/dbraw/zinc/40/33/02/572403302.db2.gz RCDLSZUOYCDUEA-NEPJUHHUSA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)C[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1C 83761961 572403402 /nfs/dbraw/zinc/40/34/02/572403402.db2.gz WQMLJPRHNKQFCK-NWDGAFQWSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC(C)(C)C[C@@H]([NH3+])C[NH+]1CCCC1 713246319 572405149 /nfs/dbraw/zinc/40/51/49/572405149.db2.gz FRFWBMKUYSGSDX-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC(C)(C)C[C@H]([NH3+])C[NH+]1CCCC1 713246321 572405354 /nfs/dbraw/zinc/40/53/54/572405354.db2.gz FRFWBMKUYSGSDX-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C(C)C)C1 238233733 572405361 /nfs/dbraw/zinc/40/53/61/572405361.db2.gz NEWIZMLLRMQUGY-VXGBXAGGSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[NH2+][C@H](C)C[N@@H+]1CCC(C)(C)C1 87252116 572409869 /nfs/dbraw/zinc/40/98/69/572409869.db2.gz GAXTYGOXAJLTQS-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+][C@H](C)C[N@H+]1CCC(C)(C)C1 87252116 572409873 /nfs/dbraw/zinc/40/98/73/572409873.db2.gz GAXTYGOXAJLTQS-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP C[NH2+][C@H](C)CCC[N@H+]1CCC(C)(C)C1 87252021 572411006 /nfs/dbraw/zinc/41/10/06/572411006.db2.gz YLXFQVZNLBNTLM-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C[NH3+])C[N@H+]1CCC(C)(C)C1 87255031 572407943 /nfs/dbraw/zinc/40/79/43/572407943.db2.gz OZQMVZZHCBZDLF-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[NH2+]CC[N@H+](C)C1CCCCC1 44380312 572408199 /nfs/dbraw/zinc/40/81/99/572408199.db2.gz WRNSAVPTHGGHQW-UHFFFAOYSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[NH2+]CC[N@@H+](C)C1CCCCC1 44380312 572408201 /nfs/dbraw/zinc/40/82/01/572408201.db2.gz WRNSAVPTHGGHQW-UHFFFAOYSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC1(CC)CC[N@@H+](CC[C@@H](C)[NH3+])C1 87252503 572408229 /nfs/dbraw/zinc/40/82/29/572408229.db2.gz PTKQTSLMBHDKFQ-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[NH2+][C@H](C)CC[N@H+]1CCC(C)(C)C1 87252166 572408284 /nfs/dbraw/zinc/40/82/84/572408284.db2.gz YDMCNAWAZSOXTI-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@H](C)[C@@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87255183 572408342 /nfs/dbraw/zinc/40/83/42/572408342.db2.gz HELZYYMQZIMWAT-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@@H](C[N@@H+]1CCC(C)(C)C1)[NH2+]C 87252127 572408422 /nfs/dbraw/zinc/40/84/22/572408422.db2.gz PCKSNILNDCXLEO-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C[N@H+]1CCC(C)(C)C1)[NH2+]C 87252127 572408423 /nfs/dbraw/zinc/40/84/23/572408423.db2.gz PCKSNILNDCXLEO-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@](C)(C[NH3+])C[N@H+]1CCC(C)(C)C1 87258617 572408483 /nfs/dbraw/zinc/40/84/83/572408483.db2.gz DUKGIQUVQVIGJV-LBPRGKRZSA-N 2 1 198.354 2.093 10 0 AEAEMP CCCC[C@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87255229 572408496 /nfs/dbraw/zinc/40/84/96/572408496.db2.gz FQMXZXRTBICZBL-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252000 572408600 /nfs/dbraw/zinc/40/86/00/572408600.db2.gz ZDTMVUPRHQNOAX-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@H+]1CCC(C)(C)C1 87252000 572408606 /nfs/dbraw/zinc/40/86/06/572408606.db2.gz ZDTMVUPRHQNOAX-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87255182 572408616 /nfs/dbraw/zinc/40/86/16/572408616.db2.gz HELZYYMQZIMWAT-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP C[NH2+][C@H](C)C[C@H](C)[N@H+]1CCC(C)(C)C1 87252353 572408639 /nfs/dbraw/zinc/40/86/39/572408639.db2.gz SVIYETXWZXFKHM-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[NH2+][C@@H](C)C[N@@H+]1CCC(C)(C)C1 87252114 572408720 /nfs/dbraw/zinc/40/87/20/572408720.db2.gz GAXTYGOXAJLTQS-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+][C@@H](C)C[N@H+]1CCC(C)(C)C1 87252114 572408724 /nfs/dbraw/zinc/40/87/24/572408724.db2.gz GAXTYGOXAJLTQS-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@](C)([NH3+])C[N@H+]1CCC(C)(C)C1 87255123 572408739 /nfs/dbraw/zinc/40/87/39/572408739.db2.gz ODJPVXNIDUPQCP-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)[NH2+]CCC[N@H+]1CCC(C)(C)C1 87252025 572408812 /nfs/dbraw/zinc/40/88/12/572408812.db2.gz CHUYTQCKVZMWKB-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP C[NH2+][C@@H](C)C[C@@H](C)[N@H+]1CCC(C)(C)C1 87252348 572409043 /nfs/dbraw/zinc/40/90/43/572409043.db2.gz SVIYETXWZXFKHM-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@H](CC)C[N@@H+]1CCC(C)(C)C1 87252284 572409098 /nfs/dbraw/zinc/40/90/98/572409098.db2.gz FQIGUKSBDZFEMB-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+][C@H](CC)C[N@H+]1CCC(C)(C)C1 87252284 572409100 /nfs/dbraw/zinc/40/91/00/572409100.db2.gz FQIGUKSBDZFEMB-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@](C)([NH3+])C[N@H+]1CCC(C)(C)C1 87255124 572409148 /nfs/dbraw/zinc/40/91/48/572409148.db2.gz ODJPVXNIDUPQCP-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+][C@@H](C)C[C@H](C)[N@H+]1CCC(C)(C)C1 87252352 572409218 /nfs/dbraw/zinc/40/92/18/572409218.db2.gz SVIYETXWZXFKHM-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)CC[N@H+]1CCC[NH2+][C@H](C)CC1 44390243 572409272 /nfs/dbraw/zinc/40/92/72/572409272.db2.gz VUZYYWBWWZNZMF-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[C@@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87255230 572409319 /nfs/dbraw/zinc/40/93/19/572409319.db2.gz FQMXZXRTBICZBL-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)CC[N@H+]1CCC[NH2+][C@@H](C)CC1 44390246 572409496 /nfs/dbraw/zinc/40/94/96/572409496.db2.gz VUZYYWBWWZNZMF-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)([NH3+])CCC[N@H+]1CCC(C)(C)C1 87255104 572409544 /nfs/dbraw/zinc/40/95/44/572409544.db2.gz LCZBAYQZYKHWEV-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@H]([NH3+])CCCC[N@H+]1CCC(C)(C)C1 87252027 572409604 /nfs/dbraw/zinc/40/96/04/572409604.db2.gz ZFAJINRMNXHHRL-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+]CCC[C@@H](C)[N@H+]1CCC(C)(C)C1 87258846 572412568 /nfs/dbraw/zinc/41/25/68/572412568.db2.gz FTWZNLLSIRSMAJ-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87255185 572410104 /nfs/dbraw/zinc/41/01/04/572410104.db2.gz HELZYYMQZIMWAT-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC1(CC)CC[N@@H+](C/C=C/C[NH3+])C1 87254667 572410144 /nfs/dbraw/zinc/41/01/44/572410144.db2.gz GDYRKFNAPVOHIM-AATRIKPKSA-N 2 1 196.338 2.013 10 0 AEAEMP CC[NH2+][C@H](C)[C@H](C)[N@@H+]1CCC(C)(C)C1 87252005 572410165 /nfs/dbraw/zinc/41/01/65/572410165.db2.gz ZDTMVUPRHQNOAX-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@H](C)[C@H](C)[N@H+]1CCC(C)(C)C1 87252005 572410169 /nfs/dbraw/zinc/41/01/69/572410169.db2.gz ZDTMVUPRHQNOAX-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@H](C)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252002 572410213 /nfs/dbraw/zinc/41/02/13/572410213.db2.gz ZDTMVUPRHQNOAX-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@H](C)[C@@H](C)[N@H+]1CCC(C)(C)C1 87252002 572410218 /nfs/dbraw/zinc/41/02/18/572410218.db2.gz ZDTMVUPRHQNOAX-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@H](C[N@@H+]1CCC(C)(C)C1)[NH2+]C 87252129 572410308 /nfs/dbraw/zinc/41/03/08/572410308.db2.gz PCKSNILNDCXLEO-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C[N@H+]1CCC(C)(C)C1)[NH2+]C 87252129 572410312 /nfs/dbraw/zinc/41/03/12/572410312.db2.gz PCKSNILNDCXLEO-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC1(CC)CC[N@@H+](CC[C@H](C)[NH3+])C1 87252504 572410442 /nfs/dbraw/zinc/41/04/42/572410442.db2.gz PTKQTSLMBHDKFQ-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC[NH2+]CC[C@@H](C)[N@H+]1CCC(C)(C)C1 87258962 572412582 /nfs/dbraw/zinc/41/25/82/572412582.db2.gz UYEZLOGRTYLEDX-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@](C)(C[NH3+])C[N@H+]1CCC(C)(C)C1 87258618 572410498 /nfs/dbraw/zinc/41/04/98/572410498.db2.gz DUKGIQUVQVIGJV-GFCCVEGCSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[NH2+]C[C@H](C)[N@@H+]1CCC(C)(C)C1 87258864 572412886 /nfs/dbraw/zinc/41/28/86/572412886.db2.gz HILRWEBLZNUVNA-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@H](C)[C@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87255180 572410608 /nfs/dbraw/zinc/41/06/08/572410608.db2.gz HELZYYMQZIMWAT-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[NH2+]C[C@H](C)[N@H+]1CCC(C)(C)C1 87258864 572412889 /nfs/dbraw/zinc/41/28/89/572412889.db2.gz HILRWEBLZNUVNA-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP C[NH2+][C@@H](C)CCC[N@H+]1CCC(C)(C)C1 87252019 572410940 /nfs/dbraw/zinc/41/09/40/572410940.db2.gz YLXFQVZNLBNTLM-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+][C@@H](CC)C[N@@H+]1CCC(C)(C)C1 87252283 572410954 /nfs/dbraw/zinc/41/09/54/572410954.db2.gz FQIGUKSBDZFEMB-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+][C@@H](CC)C[N@H+]1CCC(C)(C)C1 87252283 572410957 /nfs/dbraw/zinc/41/09/57/572410957.db2.gz FQIGUKSBDZFEMB-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+]CC[N@@H+]1CCC(CC)(CC)C1 87252515 572411127 /nfs/dbraw/zinc/41/11/27/572411127.db2.gz IQLCFEAPPUKQTM-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[NH2+]CC[N@H+]1CCC(CC)(CC)C1 87252515 572411130 /nfs/dbraw/zinc/41/11/30/572411130.db2.gz IQLCFEAPPUKQTM-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP C[NH2+][C@H](C)C[C@@H](C)[N@H+]1CCC(C)(C)C1 87252350 572411256 /nfs/dbraw/zinc/41/12/56/572411256.db2.gz SVIYETXWZXFKHM-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@@H](C[NH3+])C[N@H+]1CCC(C)(C)C1 87255030 572411700 /nfs/dbraw/zinc/41/17/00/572411700.db2.gz OZQMVZZHCBZDLF-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP CC[NH2+][C@@H](C)CC[N@H+]1CCC(C)(C)C1 87252164 572411760 /nfs/dbraw/zinc/41/17/60/572411760.db2.gz YDMCNAWAZSOXTI-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP C[C@@H]([NH3+])CCCC[N@H+]1CCC(C)(C)C1 87252029 572411814 /nfs/dbraw/zinc/41/18/14/572411814.db2.gz ZFAJINRMNXHHRL-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[NH2+]CCC[N@H+]1CCC(C)(C)C1 87252063 572411882 /nfs/dbraw/zinc/41/18/82/572411882.db2.gz AUVWNQDVHJKGOV-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[NH2+][C@@H](C)[C@H](C)[N@@H+]1CCC(C)(C)C1 87252004 572411933 /nfs/dbraw/zinc/41/19/33/572411933.db2.gz ZDTMVUPRHQNOAX-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@@H](C)[C@H](C)[N@H+]1CCC(C)(C)C1 87252004 572411937 /nfs/dbraw/zinc/41/19/37/572411937.db2.gz ZDTMVUPRHQNOAX-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+]C(C)(C)C[N@@H+]1CCC(C)(C)C1 87255128 572411999 /nfs/dbraw/zinc/41/19/99/572411999.db2.gz YORHKHXXSRQKMH-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+]C(C)(C)C[N@H+]1CCC(C)(C)C1 87255128 572412003 /nfs/dbraw/zinc/41/20/03/572412003.db2.gz YORHKHXXSRQKMH-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+]CCCC[N@H+]1CCC(C)(C)C1 87258881 572412625 /nfs/dbraw/zinc/41/26/25/572412625.db2.gz BAWRZZSUFYDYQZ-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CC(C)[NH2+]C[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258907 572412689 /nfs/dbraw/zinc/41/26/89/572412689.db2.gz KWCDEOCXAGSJLT-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[NH2+]C[C@@H](C)[N@H+]1CCC(C)(C)C1 87258907 572412692 /nfs/dbraw/zinc/41/26/92/572412692.db2.gz KWCDEOCXAGSJLT-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+]CC[C@H](C)[N@H+]1CCC(C)(C)C1 87258964 572412715 /nfs/dbraw/zinc/41/27/15/572412715.db2.gz UYEZLOGRTYLEDX-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[NH2+]C[C@H](C)[N@@H+]1CCC(C)(C)C1 87258909 572413232 /nfs/dbraw/zinc/41/32/32/572413232.db2.gz KWCDEOCXAGSJLT-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[NH2+]C[C@H](C)[N@H+]1CCC(C)(C)C1 87258909 572413236 /nfs/dbraw/zinc/41/32/36/572413236.db2.gz KWCDEOCXAGSJLT-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP C[NH2+]CCCCC[N@H+]1CCC(C)(C)C1 87258984 572413257 /nfs/dbraw/zinc/41/32/57/572413257.db2.gz OEDXTWUHEHXCJM-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP C[NH2+]CCC[C@H](C)[N@H+]1CCC(C)(C)C1 87258844 572413617 /nfs/dbraw/zinc/41/36/17/572413617.db2.gz FTWZNLLSIRSMAJ-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+]C[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258862 572413684 /nfs/dbraw/zinc/41/36/84/572413684.db2.gz HILRWEBLZNUVNA-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+]C[C@@H](C)[N@H+]1CCC(C)(C)C1 87258862 572413687 /nfs/dbraw/zinc/41/36/87/572413687.db2.gz HILRWEBLZNUVNA-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)CC1(C[NH2+]CC[NH3+])CCCC1 87309866 572414495 /nfs/dbraw/zinc/41/44/95/572414495.db2.gz DVEFDBAPDPDAGN-UHFFFAOYSA-N 2 1 198.354 2.141 10 0 AEAEMP C[N@@H+](CC(C)(C)C)CC1(CC[NH3+])CC1 83853501 572422418 /nfs/dbraw/zinc/42/24/18/572422418.db2.gz CTKNRAUWQRRBBP-UHFFFAOYSA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)CC[N@@H+](C)CC1(CC[NH3+])CC1 83853394 572421451 /nfs/dbraw/zinc/42/14/51/572421451.db2.gz RHSOLYPJLUXCQS-UHFFFAOYSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@@H](C)C[N@@H+](C)CC1(CC[NH3+])CC1 83853313 572422006 /nfs/dbraw/zinc/42/20/06/572422006.db2.gz XUJOUIVAGSVZAH-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CC1(CC[NH3+])CC1 83853343 572422124 /nfs/dbraw/zinc/42/21/24/572422124.db2.gz RARJPPCDYLVYIE-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@@H](C)[N@@H+](CC)CC1(CC[NH3+])CC1 83853310 572422196 /nfs/dbraw/zinc/42/21/96/572422196.db2.gz XYHKISCYQXRESG-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[N@@H+](CC1(CC[NH3+])CC1)C(C)C 83853303 572422272 /nfs/dbraw/zinc/42/22/72/572422272.db2.gz GSUHHAXPYWJDBJ-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CC1(CC[NH3+])CC1 83853344 572422541 /nfs/dbraw/zinc/42/25/41/572422541.db2.gz RARJPPCDYLVYIE-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@H](C)C[N@@H+](C)CC1(CC[NH3+])CC1 83853314 572422658 /nfs/dbraw/zinc/42/26/58/572422658.db2.gz XUJOUIVAGSVZAH-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP CCCCC[N@@H+](C)CC1(CC[NH3+])CC1 83853312 572422927 /nfs/dbraw/zinc/42/29/27/572422927.db2.gz GMQXIXWAGKIGLO-UHFFFAOYSA-N 2 1 198.354 2.237 10 0 AEAEMP CCC(C)(C)[N@@H+](C)CC1(CC[NH3+])CC1 83853628 572423565 /nfs/dbraw/zinc/42/35/65/572423565.db2.gz NTBNJYXEINMMME-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC(CC)[N@@H+](C)CC1(CC[NH3+])CC1 83853342 572423866 /nfs/dbraw/zinc/42/38/66/572423866.db2.gz MUYYEMWFEQJZBB-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@@H+](CC(C)C)CC1(CC[NH3+])CC1 83853309 572424382 /nfs/dbraw/zinc/42/43/82/572424382.db2.gz KSNPSEIGLLAIDX-UHFFFAOYSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@H](C)[N@@H+](CC)CC1(CC[NH3+])CC1 83853311 572424549 /nfs/dbraw/zinc/42/45/49/572424549.db2.gz XYHKISCYQXRESG-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)[C@@H](C)[N@@H+](C)CC1(CC[NH3+])CC1 83853340 572424757 /nfs/dbraw/zinc/42/47/57/572424757.db2.gz QQLDNFQONRKNMM-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[C@H](C)[N@@H+](C)CC1(CC[NH3+])CC1 83853341 572424797 /nfs/dbraw/zinc/42/47/97/572424797.db2.gz QQLDNFQONRKNMM-NSHDSACASA-N 2 1 198.354 2.092 10 0 AEAEMP CCCC[N@@H+](CC)CC1(CC[NH3+])CC1 83853288 572424820 /nfs/dbraw/zinc/42/48/20/572424820.db2.gz OPWBDFGNWNSXNF-UHFFFAOYSA-N 2 1 198.354 2.237 10 0 AEAEMP CCCCC1([NH2+]CC)CC[NH+](C)CC1 238238407 572425331 /nfs/dbraw/zinc/42/53/31/572425331.db2.gz PNEOIJRIPREFTD-UHFFFAOYSA-N 2 1 198.354 2.251 10 0 AEAEMP CC1([C@@](C)(C[NH3+])[NH2+]C2CCCC2)CC1 87364013 572431114 /nfs/dbraw/zinc/43/11/14/572431114.db2.gz RTJZFBUFGQOECK-GFCCVEGCSA-N 2 1 196.338 2.036 10 0 AEAEMP CC1([C@](C)(C[NH3+])[NH2+]C2CCCC2)CC1 87364015 572431376 /nfs/dbraw/zinc/43/13/76/572431376.db2.gz RTJZFBUFGQOECK-LBPRGKRZSA-N 2 1 196.338 2.036 10 0 AEAEMP C[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C1(C)CC1 87365083 572433804 /nfs/dbraw/zinc/43/38/04/572433804.db2.gz LDOKMFFAFZLNQQ-JTQLQIEISA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)C[N@@H+](CCC[NH3+])CC1CCC1 83838127 572433874 /nfs/dbraw/zinc/43/38/74/572433874.db2.gz KXQMEAPMXILJNY-UHFFFAOYSA-N 2 1 198.354 2.093 10 0 AEAEMP C[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C1(C)CC1 87365085 572433936 /nfs/dbraw/zinc/43/39/36/572433936.db2.gz LDOKMFFAFZLNQQ-SNVBAGLBSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1CCC1 83838622 572434209 /nfs/dbraw/zinc/43/42/09/572434209.db2.gz ULYBMDPVKZYZBY-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH+](CC)C[C@H](C)[NH2+]CC1CCC1 83838625 572435039 /nfs/dbraw/zinc/43/50/39/572435039.db2.gz ULYBMDPVKZYZBY-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC[N@H+](CC[NH2+]C(C)C)CC1CCC1 83839333 572435503 /nfs/dbraw/zinc/43/55/03/572435503.db2.gz UUFOPHOTVYSETP-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[N@@H+](CC[NH2+]C(C)C)CC1CCC1 83839333 572435505 /nfs/dbraw/zinc/43/55/05/572435505.db2.gz UUFOPHOTVYSETP-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC(CC)(CC)[NH2+]CC1([NH3+])CC1 83837593 572435870 /nfs/dbraw/zinc/43/58/70/572435870.db2.gz INMGFAWYEAUDSM-UHFFFAOYSA-N 2 1 184.327 2.036 10 0 AEAEMP C[C@H]([C@H]([NH3+])CC1CCCCC1)[NH+](C)C 74236656 572436801 /nfs/dbraw/zinc/43/68/01/572436801.db2.gz QJHADASUPTTYCN-ZYHUDNBSSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@H]1[C@H](C[NH3+])CC[N@H+]1CC(C)(C)C 713248719 572437534 /nfs/dbraw/zinc/43/75/34/572437534.db2.gz AEFBEKHZAAZFDK-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CC(C)C 74236598 572437584 /nfs/dbraw/zinc/43/75/84/572437584.db2.gz SCPZTWRWJRQEJZ-VXGBXAGGSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)CC[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH3+] 74236799 572437819 /nfs/dbraw/zinc/43/78/19/572437819.db2.gz PTMZIYDHCWZIIF-QJPTWQEYSA-N 2 1 198.354 2.090 10 0 AEAEMP CC(C)C[C@H]([NH3+])[C@H]1CCC[N@@H+](C)CC1 74236606 572437845 /nfs/dbraw/zinc/43/78/45/572437845.db2.gz OGVYMJWYFMPQIR-RYUDHWBXSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C)CC1 74236600 572438171 /nfs/dbraw/zinc/43/81/71/572438171.db2.gz OGVYMJWYFMPQIR-NEPJUHHUSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)(C)CC[C@@H](C[NH3+])[NH+]1CCCC1 74236662 572438180 /nfs/dbraw/zinc/43/81/80/572438180.db2.gz ZFDQEVSRRFPFPM-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C)CC1 74236603 572438207 /nfs/dbraw/zinc/43/82/07/572438207.db2.gz OGVYMJWYFMPQIR-VXGBXAGGSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)CC[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH3+] 74236797 572438235 /nfs/dbraw/zinc/43/82/35/572438235.db2.gz PTMZIYDHCWZIIF-IJLUTSLNSA-N 2 1 198.354 2.090 10 0 AEAEMP CC(C)(C)CC[C@H](C[NH3+])[NH+]1CCCC1 74236665 572438461 /nfs/dbraw/zinc/43/84/61/572438461.db2.gz ZFDQEVSRRFPFPM-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)[N@@H+](C)C[C@H]([NH3+])CC1CCCC1 74236806 572438648 /nfs/dbraw/zinc/43/86/48/572438648.db2.gz QGUDTTQIXMLBOD-GFCCVEGCSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)CC[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH3+] 74236794 572438816 /nfs/dbraw/zinc/43/88/16/572438816.db2.gz PTMZIYDHCWZIIF-TUAOUCFPSA-N 2 1 198.354 2.090 10 0 AEAEMP CC[C@@H]1[C@H](C[NH3+])CC[N@H+]1CC(C)(C)C 713248732 572439598 /nfs/dbraw/zinc/43/95/98/572439598.db2.gz AEFBEKHZAAZFDK-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H]([C@@H]([NH3+])CC1CCCCC1)[NH+](C)C 74236658 572439628 /nfs/dbraw/zinc/43/96/28/572439628.db2.gz QJHADASUPTTYCN-JQWIXIFHSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@@H]([C@H]([NH3+])CC1CCCCC1)[NH+](C)C 74236653 572440481 /nfs/dbraw/zinc/44/04/81/572440481.db2.gz QJHADASUPTTYCN-CMPLNLGQSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@@H]1[C@@H](C[NH3+])CC[N@H+]1CC(C)(C)C 713248705 572441528 /nfs/dbraw/zinc/44/15/28/572441528.db2.gz AEFBEKHZAAZFDK-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP C[N@H+]1CCC(C)(C)CC[C@H]1CCC[NH3+] 76637701 572442612 /nfs/dbraw/zinc/44/26/12/572442612.db2.gz INYHDDATLSERHJ-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[N@H+](C)CC(C)(C)[NH2+]CC 61299608 572443398 /nfs/dbraw/zinc/44/33/98/572443398.db2.gz XGEYQCKOFFOTOS-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CCCC[N@@H+](C)CC(C)(C)[NH2+]CC 61299608 572443400 /nfs/dbraw/zinc/44/34/00/572443400.db2.gz XGEYQCKOFFOTOS-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP C[N@H+]1CCC(C)(C)CC[C@@H]1CCC[NH3+] 76637698 572444082 /nfs/dbraw/zinc/44/40/82/572444082.db2.gz INYHDDATLSERHJ-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@H]([N@@H+](C)C[C@H](N)C1CC1)C(C)(C)C 68896096 572446733 /nfs/dbraw/zinc/44/67/33/572446733.db2.gz FTMHGXNVCIUBTL-ONGXEEELSA-N 2 1 198.354 2.090 10 0 AEAEMP CC(C)C[C@H](C[NH3+])CC[N@@H+](C)C1CC1 83863141 572447450 /nfs/dbraw/zinc/44/74/50/572447450.db2.gz DEZSOWUCVHZGBO-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@H](C)C[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 83865133 572447558 /nfs/dbraw/zinc/44/75/58/572447558.db2.gz VAHCPBUPHXPPMS-SDDRHHMPSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 83863544 572447725 /nfs/dbraw/zinc/44/77/25/572447725.db2.gz CJCKFIRQHJJXOS-QJPTWQEYSA-N 2 1 198.354 2.153 10 0 AEAEMP CC[C@H](C)C[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 83865131 572448375 /nfs/dbraw/zinc/44/83/75/572448375.db2.gz VAHCPBUPHXPPMS-QJPTWQEYSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H]([NH2+]C)C1 83865111 572448496 /nfs/dbraw/zinc/44/84/96/572448496.db2.gz JYXZQNGGEMUWTB-TUAOUCFPSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)C[C@@H](C)[N@H+]1CC[C@H]([NH2+]C)C1 83865111 572448501 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CC(C)[N@@H+](C)C[C@H]1CCCC[C@@H]1C[NH3+] 84302842 572526162 /nfs/dbraw/zinc/52/61/62/572526162.db2.gz TZOIEVRHLRLBBK-VXGBXAGGSA-N 2 1 198.354 2.092 10 0 AEAEMP CCCC[N@@H+](C)C[C@@H]1CCC[C@@H]1C[NH3+] 84311571 572528041 /nfs/dbraw/zinc/52/80/41/572528041.db2.gz RQLHRINCIRRFTG-NEPJUHHUSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[N@@H+](CC)C[C@@H]1CCC[C@@H]1C[NH3+] 84311719 572528374 /nfs/dbraw/zinc/52/83/74/572528374.db2.gz DJNODQXRBLNLEK-NEPJUHHUSA-N 2 1 198.354 2.093 10 0 AEAEMP CCCC[N@@H+](C)C[C@H]1CCC[C@@H]1C[NH3+] 84311573 572528585 /nfs/dbraw/zinc/52/85/85/572528585.db2.gz RQLHRINCIRRFTG-VXGBXAGGSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[N@@H+](C[C@H]1CCC[C@@H]1C[NH3+])C(C)C 84311703 572529010 /nfs/dbraw/zinc/52/90/10/572529010.db2.gz NZBHTFNFTLKLQW-VXGBXAGGSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[N@@H+](C[C@@H]1CCC[C@@H]1C[NH3+])C(C)C 84311699 572529216 /nfs/dbraw/zinc/52/92/16/572529216.db2.gz NZBHTFNFTLKLQW-NEPJUHHUSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@H](C)C[N@@H+](C)[C@@H](C)CC(N)=[NH2+] 63092208 572529567 /nfs/dbraw/zinc/52/95/67/572529567.db2.gz GEUUFZDGGWIVKT-UWVGGRQHSA-N 2 1 199.342 2.069 10 0 AEAEMP CCC[N@@H+](CC)C[C@H]1CCC[C@@H]1C[NH3+] 84311722 572530372 /nfs/dbraw/zinc/53/03/72/572530372.db2.gz DJNODQXRBLNLEK-VXGBXAGGSA-N 2 1 198.354 2.093 10 0 AEAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](C)CCC(C)(C)C 63092182 572530801 /nfs/dbraw/zinc/53/08/01/572530801.db2.gz PZSHBOCZFBLXKH-VIFPVBQESA-N 2 1 199.342 2.069 10 0 AEAEMP CC[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1C[NH3+] 84311751 572531271 /nfs/dbraw/zinc/53/12/71/572531271.db2.gz FIFKNBGXEGINIE-TUAOUCFPSA-N 2 1 198.354 2.092 10 0 AEAEMP C[N@H+]1CC[C@@H](CC(C)(C)C)[C@@H]1CC[NH3+] 250723672 572531473 /nfs/dbraw/zinc/53/14/73/572531473.db2.gz WMRIYGADSLPKEA-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP C[N@H+]1CC[C@H](CC(C)(C)C)[C@@H]1CC[NH3+] 250723665 572531932 /nfs/dbraw/zinc/53/19/32/572531932.db2.gz WMRIYGADSLPKEA-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[NH2+][C@H](C[NH3+])C1CCCCCC1 84328801 572534805 /nfs/dbraw/zinc/53/48/05/572534805.db2.gz GOTVHAXZHSDLQM-GFCCVEGCSA-N 2 1 198.354 2.282 10 0 AEAEMP [NH3+]C[C@H]([NH2+]C1CC1)C1CCCCCC1 84328805 572535609 /nfs/dbraw/zinc/53/56/09/572535609.db2.gz GYYVCXAHPOLECM-LBPRGKRZSA-N 2 1 196.338 2.036 10 0 AEAEMP CCC[NH2+][C@H](C[NH3+])C1CCCCCC1 84328798 572535911 /nfs/dbraw/zinc/53/59/11/572535911.db2.gz NFRWMQBSKFLSFZ-GFCCVEGCSA-N 2 1 198.354 2.284 10 0 AEAEMP CC1(C)CCCC[N@H+]1[C@@H]1CC[C@@H]([NH3+])C1 250777702 572535920 /nfs/dbraw/zinc/53/59/20/572535920.db2.gz AVZSGGYIKGZBEB-GHMZBOCLSA-N 2 1 196.338 2.131 10 0 AEAEMP CC1(C)CCCC[N@H+]1[C@H]1CC[C@@H]([NH3+])C1 250777705 572536606 /nfs/dbraw/zinc/53/66/06/572536606.db2.gz AVZSGGYIKGZBEB-MNOVXSKESA-N 2 1 196.338 2.131 10 0 AEAEMP CCC[NH2+][C@@H](C[NH3+])C1CCCCCC1 84328796 572536307 /nfs/dbraw/zinc/53/63/07/572536307.db2.gz NFRWMQBSKFLSFZ-LBPRGKRZSA-N 2 1 198.354 2.284 10 0 AEAEMP CC(C)[NH2+][C@@H](C[NH3+])C1CCCCCC1 84328800 572536482 /nfs/dbraw/zinc/53/64/82/572536482.db2.gz 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54028244 572613727 /nfs/dbraw/zinc/61/37/27/572613727.db2.gz IYBOGUFLGBCAES-NSHDSACASA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[N@@H+](C)CC[C@@H]([NH3+])C(C)(C)C 54027101 572615037 /nfs/dbraw/zinc/61/50/37/572615037.db2.gz WXRXRUXKYQTLDK-SNVBAGLBSA-N 2 1 186.343 2.090 10 0 AEAEMP C[C@@H]1CCCCCN1[C@@H]1CCC[NH2+]C1 69944966 572614265 /nfs/dbraw/zinc/61/42/65/572614265.db2.gz BGGZXTUQIFLNRY-VXGBXAGGSA-N 2 1 196.338 2.003 10 0 AEAEMP CC[C@H](N)[C@H](C)[N@H+]1CCCCC[C@@H]1C 69944697 572615050 /nfs/dbraw/zinc/61/50/50/572615050.db2.gz DMWIRYXWLWQKNG-SRVKXCTJSA-N 2 1 198.354 2.377 10 0 AEAEMP CC[C@@H](N)[C@@H](C)[N@H+]1CCCCC[C@@H]1C 69944695 572615116 /nfs/dbraw/zinc/61/51/16/572615116.db2.gz DMWIRYXWLWQKNG-QJPTWQEYSA-N 2 1 198.354 2.377 10 0 AEAEMP C[C@@H]1CCCCC[N@H+]1[C@@H]1CCC[C@@H]1N 69944689 572615410 /nfs/dbraw/zinc/61/54/10/572615410.db2.gz RAGRDJNRYYTRBW-GRYCIOLGSA-N 2 1 196.338 2.131 10 0 AEAEMP C[C@H]1CCCCCN1[C@@H]1CCC[NH2+]C1 69944968 572615460 /nfs/dbraw/zinc/61/54/60/572615460.db2.gz 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/nfs/dbraw/zinc/64/01/95/572640195.db2.gz FCGXKYLOAJRYHN-UHFFFAOYSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCC[N@H+](C1CC([NH3+])C1)[C@@H](C)CC 87653407 572640242 /nfs/dbraw/zinc/64/02/42/572640242.db2.gz XPKARFYWMWBBRR-UNXYVOJBSA-N 2 1 198.354 2.377 10 0 AEAEMP CCCC[N@H+](C1CC([NH3+])C1)[C@H](C)CC 87653408 572640291 /nfs/dbraw/zinc/64/02/91/572640291.db2.gz XPKARFYWMWBBRR-VOMCLLRMSA-N 2 1 198.354 2.377 10 0 AEAEMP C[C@@H]1CCC[C@@H]([N@@H+](C)C/C=C/C[NH3+])C1 85054902 572640404 /nfs/dbraw/zinc/64/04/04/572640404.db2.gz RBAXCRCHXJBQQN-BLDJZWNYSA-N 2 1 196.338 2.012 10 0 AEAEMP CCCCC[N@@H+](C/C=C/C[NH3+])C(C)C 85054925 572641234 /nfs/dbraw/zinc/64/12/34/572641234.db2.gz HQTFHFAMPMGUQD-SOFGYWHQSA-N 2 1 198.354 2.402 10 0 AEAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C/C=C/C[NH3+] 85054937 572640729 /nfs/dbraw/zinc/64/07/29/572640729.db2.gz IDXZBCPSVQPRFI-AIIUZBJTSA-N 2 1 196.338 2.012 10 0 AEAEMP CC[C@H]1CCC[N@@H+](C/C=C/C[NH3+])CC1 85055181 572640943 /nfs/dbraw/zinc/64/09/43/572640943.db2.gz QQAWJNJPBSNONW-PCAWENJQSA-N 2 1 196.338 2.013 10 0 AEAEMP CCCC[N@@H+](C/C=C/C[NH3+])[C@@H](C)CC 85054933 572641024 /nfs/dbraw/zinc/64/10/24/572641024.db2.gz NMHHHFLVAYFGMI-GUOLPTJISA-N 2 1 198.354 2.402 10 0 AEAEMP C[C@@H]1CCC[C@H]([N@@H+](C)C/C=C/C[NH3+])C1 85054900 572641528 /nfs/dbraw/zinc/64/15/28/572641528.db2.gz RBAXCRCHXJBQQN-LXYZTQFVSA-N 2 1 196.338 2.012 10 0 AEAEMP CCCC[N@@H+](C/C=C/C[NH3+])[C@H](C)CC 85054934 572642145 /nfs/dbraw/zinc/64/21/45/572642145.db2.gz NMHHHFLVAYFGMI-ABZNLYFFSA-N 2 1 198.354 2.402 10 0 AEAEMP CC(C)CC[N@H+]1CC[C@@H](C)N[C@H](C)C1 251787518 572642406 /nfs/dbraw/zinc/64/24/06/572642406.db2.gz WTTYQDXVJIUGCZ-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCCC[C@](C)(C[NH3+])[NH2+]CC1CC1 87648388 572642865 /nfs/dbraw/zinc/64/28/65/572642865.db2.gz UACXCBZRUSHICV-GFCCVEGCSA-N 2 1 198.354 2.284 10 0 AEAEMP CCCCC[C@H](C)[N@H+](C)CC[NH2+]C 87649194 572643143 /nfs/dbraw/zinc/64/31/43/572643143.db2.gz FLVOKSJVEZLIHS-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP 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/nfs/dbraw/zinc/64/49/96/572644996.db2.gz WTTYQDXVJIUGCZ-NWDGAFQWSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCCC[C@](C)(C[NH3+])[NH2+]CCC 87648338 572645144 /nfs/dbraw/zinc/64/51/44/572645144.db2.gz YABVGPOSVJXGDJ-LLVKDONJSA-N 2 1 186.343 2.284 10 0 AEAEMP CCCCC[C@@](C)(C[NH3+])[NH2+]C1CC1 87648341 572646333 /nfs/dbraw/zinc/64/63/33/572646333.db2.gz ZYDPYKLMONZEHH-NSHDSACASA-N 2 1 184.327 2.036 10 0 AEAEMP CC(C)C[N@H+]1CCCC[C@H]1C[C@H](C)[NH3+] 250548184 572648587 /nfs/dbraw/zinc/64/85/87/572648587.db2.gz GQYDEUZDXJXYBK-RYUDHWBXSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)C[N@H+]1CCCC[C@@H]1C[C@H](C)[NH3+] 250548179 572649494 /nfs/dbraw/zinc/64/94/94/572649494.db2.gz GQYDEUZDXJXYBK-NWDGAFQWSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@H](C)[N@H+]1[C@@H](C)CNCCC1(C)C 251841141 572651703 /nfs/dbraw/zinc/65/17/03/572651703.db2.gz LLNKIQJUKXCWMC-QWRGUYRKSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[C@@H](C)[N@H+]1[C@@H](C)CNCCC1(C)C 251841140 572652399 /nfs/dbraw/zinc/65/23/99/572652399.db2.gz LLNKIQJUKXCWMC-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP C[C@H]1CCCC[N@H+]1CCC[C@H]1CC[NH2+]1 252106747 572665866 /nfs/dbraw/zinc/66/58/66/572665866.db2.gz HCWOHSMFUGHEAQ-RYUDHWBXSA-N 2 1 196.338 2.003 10 0 AEAEMP C[NH2+][C@@H](C)C(C)(C)C[N@H+]1CCC[C@H]1C 252174282 572666792 /nfs/dbraw/zinc/66/67/92/572666792.db2.gz OQHHBBRHCTWPJE-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)CC[N@H+]1CCC[C@@](C)(C[NH3+])C1 688700533 572674686 /nfs/dbraw/zinc/67/46/86/572674686.db2.gz AVZBRLLNMZBEOZ-LBPRGKRZSA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)CC[N@H+]1CCC[C@](C)(C[NH3+])C1 688700532 572674905 /nfs/dbraw/zinc/67/49/05/572674905.db2.gz AVZBRLLNMZBEOZ-GFCCVEGCSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@H](C)[C@H](C[NH3+])[NH2+][C@H]1CC[C@H](C)C1 253336548 572683501 /nfs/dbraw/zinc/68/35/01/572683501.db2.gz YMEZGRVSYRIUDU-BJDJZHNGSA-N 2 1 198.354 2.138 10 0 AEAEMP CC[C@H](C)[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](C)C1 253336549 572685269 /nfs/dbraw/zinc/68/52/69/572685269.db2.gz YMEZGRVSYRIUDU-RHYQMDGZSA-N 2 1 198.354 2.138 10 0 AEAEMP C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C(C)(C)C)C1 253212479 572685318 /nfs/dbraw/zinc/68/53/18/572685318.db2.gz BRTRXHDNWPKTNO-OUAUKWLOSA-N 2 1 198.354 2.138 10 0 AEAEMP C[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])C(C)(C)C)C1 253212478 572685535 /nfs/dbraw/zinc/68/55/35/572685535.db2.gz BRTRXHDNWPKTNO-GMTAPVOTSA-N 2 1 198.354 2.138 10 0 AEAEMP CCC(C)(C)[NH2+]C[C@@H]1CCC[C@H](C)[NH2+]1 66147518 572687261 /nfs/dbraw/zinc/68/72/61/572687261.db2.gz SDQACIRZPIGNKX-QWRGUYRKSA-N 2 1 198.354 2.295 10 0 AEAEMP C[C@H]1CCC[C@H](C[NH2+]C2CCCC2)[NH2+]1 66147116 572687339 /nfs/dbraw/zinc/68/73/39/572687339.db2.gz FELHXLGWFKUQCP-CMPLNLGQSA-N 2 1 196.338 2.049 10 0 AEAEMP C[C@@H]1CCC[C@H](C[NH2+]C2CCCC2)[NH2+]1 66147114 572687799 /nfs/dbraw/zinc/68/77/99/572687799.db2.gz FELHXLGWFKUQCP-ZYHUDNBSSA-N 2 1 196.338 2.049 10 0 AEAEMP C[C@H]1CCC[C@@H](C[NH2+]C2CCCC2)[NH2+]1 66147119 572690924 /nfs/dbraw/zinc/69/09/24/572690924.db2.gz FELHXLGWFKUQCP-JQWIXIFHSA-N 2 1 196.338 2.049 10 0 AEAEMP C[C@@H]1CCC[C@@H](C[NH2+]C2CCCC2)[NH2+]1 66147117 572690946 /nfs/dbraw/zinc/69/09/46/572690946.db2.gz FELHXLGWFKUQCP-PWSUYJOCSA-N 2 1 196.338 2.049 10 0 AEAEMP C[C@@H]1CCC[C@@H](C[NH+]2CCCCC2)[NH2+]1 66146952 572689108 /nfs/dbraw/zinc/68/91/08/572689108.db2.gz GLWPOARSANTTDI-NEPJUHHUSA-N 2 1 196.338 2.003 10 0 AEAEMP C[C@H]1CCC[C@@H](C[NH+]2CCCCC2)[NH2+]1 66146953 572689534 /nfs/dbraw/zinc/68/95/34/572689534.db2.gz GLWPOARSANTTDI-RYUDHWBXSA-N 2 1 196.338 2.003 10 0 AEAEMP CCCCC[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]1C 252965910 572689744 /nfs/dbraw/zinc/68/97/44/572689744.db2.gz SGYAUMVLUIKYPJ-GRYCIOLGSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC(C)(C)[NH2+]C[C@H]1CCC[C@@H](C)[NH2+]1 66147525 572689746 /nfs/dbraw/zinc/68/97/46/572689746.db2.gz SDQACIRZPIGNKX-GHMZBOCLSA-N 2 1 198.354 2.295 10 0 AEAEMP CCCCC[C@H](C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252965911 572689816 /nfs/dbraw/zinc/68/98/16/572689816.db2.gz SGYAUMVLUIKYPJ-IJLUTSLNSA-N 2 1 198.354 2.140 10 0 AEAEMP C[C@@H]1CCC[C@H](C[NH+]2CCCCC2)[NH2+]1 66146949 572689929 /nfs/dbraw/zinc/68/99/29/572689929.db2.gz GLWPOARSANTTDI-VXGBXAGGSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC(C)(C)[NH2+]C[C@H]1CCC[C@H](C)[NH2+]1 66147519 572690264 /nfs/dbraw/zinc/69/02/64/572690264.db2.gz SDQACIRZPIGNKX-WDEREUQCSA-N 2 1 198.354 2.295 10 0 AEAEMP C[NH2+]CCCCc1c[nH+]cn1C(C)C 85188435 572690271 /nfs/dbraw/zinc/69/02/71/572690271.db2.gz QVXOCOFFVYQCCO-UHFFFAOYSA-N 2 1 195.310 2.006 10 0 AEAEMP CCC(C)(C)[NH2+]C[C@@H]1CCC[C@@H](C)[NH2+]1 66147521 572690315 /nfs/dbraw/zinc/69/03/15/572690315.db2.gz SDQACIRZPIGNKX-MNOVXSKESA-N 2 1 198.354 2.295 10 0 AEAEMP C[NH2+][C@H](C)CCc1c[nH+]cn1C(C)C 85188602 572690571 /nfs/dbraw/zinc/69/05/71/572690571.db2.gz AQUVJYXKTRHRMG-SNVBAGLBSA-N 2 1 195.310 2.005 10 0 AEAEMP C[C@H]1CCC[C@H](C[NH+]2CCCCC2)[NH2+]1 66146951 572690857 /nfs/dbraw/zinc/69/08/57/572690857.db2.gz GLWPOARSANTTDI-NWDGAFQWSA-N 2 1 196.338 2.003 10 0 AEAEMP C[NH2+][C@@H](C)CCc1c[nH+]cn1C(C)C 85188604 572691890 /nfs/dbraw/zinc/69/18/90/572691890.db2.gz AQUVJYXKTRHRMG-JTQLQIEISA-N 2 1 195.310 2.005 10 0 AEAEMP CC[C@H](C)C[N@H+]1CCC[NH2+][C@H](C)CC1 54490883 572693587 /nfs/dbraw/zinc/69/35/87/572693587.db2.gz CAQIGKQRVBHOON-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@H](C)C[N@H+]1CCC[NH2+][C@H](C)CC1 54490881 572693730 /nfs/dbraw/zinc/69/37/30/572693730.db2.gz CAQIGKQRVBHOON-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)C[N@H+]1CC[C@H](CC[C@H](C)[NH3+])C1 253619263 572704351 /nfs/dbraw/zinc/70/43/51/572704351.db2.gz HJIPUCPRUSPRNA-RYUDHWBXSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@H](C)[NH2+][C@@]1(C[NH3+])CCC(C)(C)C1 87772608 572705056 /nfs/dbraw/zinc/70/50/56/572705056.db2.gz SKLHLUADKFFIAR-JQWIXIFHSA-N 2 1 198.354 2.282 10 0 AEAEMP CC(C)C[N@H+]1CC[C@@H](CC[C@H](C)[NH3+])C1 253619262 572705622 /nfs/dbraw/zinc/70/56/22/572705622.db2.gz HJIPUCPRUSPRNA-NWDGAFQWSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)C[NH2+][C@@]1(C[NH3+])CCC(C)(C)C1 87772610 572705754 /nfs/dbraw/zinc/70/57/54/572705754.db2.gz LSIWYQULRIVTDB-LBPRGKRZSA-N 2 1 198.354 2.140 10 0 AEAEMP CCCCC[N@@H+]1CCC[C@H]([NH2+]CC)C1 70584806 572706318 /nfs/dbraw/zinc/70/63/18/572706318.db2.gz XQKKTCVCSQYHOV-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCCC[N@H+]1CCC[C@H]([NH2+]CC)C1 70584806 572706320 /nfs/dbraw/zinc/70/63/20/572706320.db2.gz XQKKTCVCSQYHOV-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 87772962 572707050 /nfs/dbraw/zinc/70/70/50/572707050.db2.gz SARJYYHTCCLGHZ-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)C[NH2+][C@]1(C[NH3+])CCC(C)(C)C1 87772609 572707181 /nfs/dbraw/zinc/70/71/81/572707181.db2.gz LSIWYQULRIVTDB-GFCCVEGCSA-N 2 1 198.354 2.140 10 0 AEAEMP C[NH2+]CCCCCC[N@@H+](C)C(C)C 70596118 572708564 /nfs/dbraw/zinc/70/85/64/572708564.db2.gz SXTQGAAOQKSLOR-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CC[C@@H](C)[NH2+][C@@]1(C[NH3+])CCC(C)(C)C1 87772607 572708580 /nfs/dbraw/zinc/70/85/80/572708580.db2.gz SKLHLUADKFFIAR-PWSUYJOCSA-N 2 1 198.354 2.282 10 0 AEAEMP CC[C@@H](C)[NH2+][C@]1(C[NH3+])CCC(C)(C)C1 87772605 572708648 /nfs/dbraw/zinc/70/86/48/572708648.db2.gz SKLHLUADKFFIAR-ZYHUDNBSSA-N 2 1 198.354 2.282 10 0 AEAEMP CC(C)[NH2+]C1(C[NH3+])CCC(C)(C)CC1 70623216 572712902 /nfs/dbraw/zinc/71/29/02/572712902.db2.gz MNZKUTPKSLLTDI-UHFFFAOYSA-N 2 1 198.354 2.282 10 0 AEAEMP CCCC[C@@H](C[NH3+])[NH+]1CC(CCC)C1 87780367 572714199 /nfs/dbraw/zinc/71/41/99/572714199.db2.gz KMSWYLLGMXFQNH-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[C@@H](C[NH3+])[NH2+]C(CC)CC 87780389 572714244 /nfs/dbraw/zinc/71/42/44/572714244.db2.gz PCZMVAAKJDKQIL-NSHDSACASA-N 2 1 186.343 2.282 10 0 AEAEMP CCCC[C@H](C[NH3+])[NH+]1CC(CCC)C1 87780368 572714551 /nfs/dbraw/zinc/71/45/51/572714551.db2.gz KMSWYLLGMXFQNH-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[C@H](C[NH3+])[NH+]1CC(C(C)C)C1 87780285 572714806 /nfs/dbraw/zinc/71/48/06/572714806.db2.gz CGTZXHAYFFBVBL-GFCCVEGCSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@H](C)[N@@H+](C)C[C@@H]1CC=C[C@H]([NH3+])C1 714215936 572714941 /nfs/dbraw/zinc/71/49/41/572714941.db2.gz KTXIIUIDHQPIAS-TUAOUCFPSA-N 2 1 196.338 2.010 10 0 AEAEMP CC1(C)CCC[C@@](C[NH3+])([NH2+]C2CC2)C1 70629088 572715384 /nfs/dbraw/zinc/71/53/84/572715384.db2.gz MHSFNHYZOODNTI-GFCCVEGCSA-N 2 1 196.338 2.036 10 0 AEAEMP CC[C@H](C)[N@@H+](C)C[C@H]1CC=C[C@H]([NH3+])C1 714215935 572715573 /nfs/dbraw/zinc/71/55/73/572715573.db2.gz KTXIIUIDHQPIAS-SRVKXCTJSA-N 2 1 196.338 2.010 10 0 AEAEMP CCCC[C@H](C[NH3+])[NH2+]C(CC)CC 87780391 572715608 /nfs/dbraw/zinc/71/56/08/572715608.db2.gz PCZMVAAKJDKQIL-LLVKDONJSA-N 2 1 186.343 2.282 10 0 AEAEMP CCCC[C@@H](C[NH3+])[NH+]1CC(C(C)C)C1 87780283 572715739 /nfs/dbraw/zinc/71/57/39/572715739.db2.gz CGTZXHAYFFBVBL-LBPRGKRZSA-N 2 1 198.354 2.092 10 0 AEAEMP CC1(C)CCC[C@](C[NH3+])([NH2+]C2CC2)C1 70629089 572715750 /nfs/dbraw/zinc/71/57/50/572715750.db2.gz MHSFNHYZOODNTI-LBPRGKRZSA-N 2 1 196.338 2.036 10 0 AEAEMP CC[C@H](C)[N@@H+](C)C[C@H]1CC=C[C@@H]([NH3+])C1 714215934 572716214 /nfs/dbraw/zinc/71/62/14/572716214.db2.gz KTXIIUIDHQPIAS-SDDRHHMPSA-N 2 1 196.338 2.010 10 0 AEAEMP C[C@H]1CC[C@H](C)[NH+]1C[C@@H]1CCCCN1 238438005 572718059 /nfs/dbraw/zinc/71/80/59/572718059.db2.gz IATFARALGBNTBE-SRVKXCTJSA-N 2 1 196.338 2.001 10 0 AEAEMP c1nc(C[NH2+]CC2CCCCC2)c[nH]1 54764030 572723266 /nfs/dbraw/zinc/72/32/66/572723266.db2.gz FEDUGBNFHFFGJI-UHFFFAOYSA-N 2 1 193.294 2.080 10 0 AEAEMP C[N@@H+](CC(C)(C)C)C1CCC([NH3+])CC1 55144661 572737316 /nfs/dbraw/zinc/73/73/16/572737316.db2.gz FKWVLCAHDFLKQA-UHFFFAOYSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@@H](C)[N@@H+](CC)C1CCC([NH3+])CC1 55144326 572738603 /nfs/dbraw/zinc/73/86/03/572738603.db2.gz CVILKZWRMYQROQ-VOMCLLRMSA-N 2 1 198.354 2.377 10 0 AEAEMP C[C@@H]1CCCC[N@H+]1C1CCC([NH3+])CC1 55144205 572738979 /nfs/dbraw/zinc/73/89/79/572738979.db2.gz CHXBVKRNOMJCMQ-VOMCLLRMSA-N 2 1 196.338 2.131 10 0 AEAEMP CC[C@H]([NH3+])CCC[N@@H+]1CC=C(C)CC1 391751416 572739848 /nfs/dbraw/zinc/73/98/48/572739848.db2.gz PDCWUINVXWRQAP-LBPRGKRZSA-N 2 1 196.338 2.156 10 0 AEAEMP C[C@H]1CCCC[N@H+]1C1CCC([NH3+])CC1 55144207 572740753 /nfs/dbraw/zinc/74/07/53/572740753.db2.gz CHXBVKRNOMJCMQ-UNXYVOJBSA-N 2 1 196.338 2.131 10 0 AEAEMP CCC[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]C(C)C 87921937 572742273 /nfs/dbraw/zinc/74/22/73/572742273.db2.gz QODPTUBMPHMCIK-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)C(C)C 87921696 572745018 /nfs/dbraw/zinc/74/50/18/572745018.db2.gz SNOHBUBBJCZRDQ-VXGBXAGGSA-N 2 1 198.354 2.103 10 0 AEAEMP CC(C)C[N@@H+](C(C)C)[C@@H]1CC[C@@H]1C[NH3+] 87922892 572742005 /nfs/dbraw/zinc/74/20/05/572742005.db2.gz RMNBFLCHJNARID-VXGBXAGGSA-N 2 1 198.354 2.090 10 0 AEAEMP CCC[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)C(C)C 87921681 572742307 /nfs/dbraw/zinc/74/23/07/572742307.db2.gz GYFNBGQTWHHBTF-NWDGAFQWSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCCC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87922188 572742324 /nfs/dbraw/zinc/74/23/24/572742324.db2.gz ROFHJOHUHFDZMU-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)CCC 87921922 572742567 /nfs/dbraw/zinc/74/25/67/572742567.db2.gz BPPGFKZLPMPPJE-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](CC)C(C)C 87922020 572742585 /nfs/dbraw/zinc/74/25/85/572742585.db2.gz CTEGPUZKFKASAM-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)CCC 87921925 572742762 /nfs/dbraw/zinc/74/27/62/572742762.db2.gz BPPGFKZLPMPPJE-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@@H+](CC)[C@H]1CC[C@@H]1C[NH2+]C 87921654 572742776 /nfs/dbraw/zinc/74/27/76/572742776.db2.gz UJJATVPGOMVTQO-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)C(C)C 87921694 572742856 /nfs/dbraw/zinc/74/28/56/572742856.db2.gz SNOHBUBBJCZRDQ-NEPJUHHUSA-N 2 1 198.354 2.103 10 0 AEAEMP CCC[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)C(C)C 87921680 572745597 /nfs/dbraw/zinc/74/55/97/572745597.db2.gz GYFNBGQTWHHBTF-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)[C@@H](C)CC 87921915 572743167 /nfs/dbraw/zinc/74/31/67/572743167.db2.gz JCZQPIJAQQHCSP-QJPTWQEYSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)C(C)C 87921695 572743346 /nfs/dbraw/zinc/74/33/46/572743346.db2.gz SNOHBUBBJCZRDQ-NWDGAFQWSA-N 2 1 198.354 2.103 10 0 AEAEMP CC(C)C[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922882 572743357 /nfs/dbraw/zinc/74/33/57/572743357.db2.gz WBQIZJWBWKZPHD-IJLUTSLNSA-N 2 1 198.354 2.090 10 0 AEAEMP CC[NH2+]C[C@H]1CC[C@H]1[N@@H+](CC)C(C)C 87922023 572743369 /nfs/dbraw/zinc/74/33/69/572743369.db2.gz CTEGPUZKFKASAM-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87922294 572743480 /nfs/dbraw/zinc/74/34/80/572743480.db2.gz ITUVSEHWPPOSPP-ZYHUDNBSSA-N 2 1 198.354 2.105 10 0 AEAEMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)C(C)(C)C 85438341 572743738 /nfs/dbraw/zinc/74/37/38/572743738.db2.gz BZFMNQPQKWKPNK-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@@H+](C(C)C)[C@H]1CC[C@@H]1C[NH2+]C 87922087 572744048 /nfs/dbraw/zinc/74/40/48/572744048.db2.gz DGFUYCBRDRYNQT-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)C(C)(C)C 85438339 572744273 /nfs/dbraw/zinc/74/42/73/572744273.db2.gz BZFMNQPQKWKPNK-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)[N@@H+](CC)[C@@H]1CC[C@@H]1C[NH2+]C 87922100 572744375 /nfs/dbraw/zinc/74/43/75/572744375.db2.gz DWZHWWLDSUDPMH-IJLUTSLNSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)[N@@H+](CC)[C@@H]1CC[C@@H]1C[NH2+]C 87922101 572744438 /nfs/dbraw/zinc/74/44/38/572744438.db2.gz DWZHWWLDSUDPMH-QJPTWQEYSA-N 2 1 198.354 2.105 10 0 AEAEMP C=C/C=C/CC[NH2+]CC[NH2+]C(C)(C)C 713485120 572744527 /nfs/dbraw/zinc/74/45/27/572744527.db2.gz MKFHTRRPZULEJR-VOTSOKGWSA-N 2 1 196.338 2.096 10 0 AEAEMP CCC[N@@H+](CC)[C@H]1CC[C@@H]1C[NH2+]CC 87922047 572744609 /nfs/dbraw/zinc/74/46/09/572744609.db2.gz KROPZXBADKEDRG-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP C=C/C=C\CC[NH2+]CC[NH2+]C(C)(C)C 713485119 572744802 /nfs/dbraw/zinc/74/48/02/572744802.db2.gz MKFHTRRPZULEJR-SREVYHEPSA-N 2 1 196.338 2.096 10 0 AEAEMP CCC[N@@H+](CC)[C@@H]1CC[C@@H]1C[NH2+]CC 87922046 572744853 /nfs/dbraw/zinc/74/48/53/572744853.db2.gz KROPZXBADKEDRG-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]CC 87921645 572745425 /nfs/dbraw/zinc/74/54/25/572745425.db2.gz SELODRXSGNPLKZ-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]C 87922295 572745163 /nfs/dbraw/zinc/74/51/63/572745163.db2.gz ITUVSEHWPPOSPP-PWSUYJOCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)C(C)C 87921693 572745623 /nfs/dbraw/zinc/74/56/23/572745623.db2.gz SNOHBUBBJCZRDQ-RYUDHWBXSA-N 2 1 198.354 2.103 10 0 AEAEMP CCCC[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]CC 87921646 572745884 /nfs/dbraw/zinc/74/58/84/572745884.db2.gz SELODRXSGNPLKZ-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87922379 572745835 /nfs/dbraw/zinc/74/58/35/572745835.db2.gz AGGQWLLVPSPTMH-QJPTWQEYSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(C)(C)[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]C 87923247 572745868 /nfs/dbraw/zinc/74/58/68/572745868.db2.gz TXWXVKRJIXUPCR-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)C(C)C 87921679 572745880 /nfs/dbraw/zinc/74/58/80/572745880.db2.gz GYFNBGQTWHHBTF-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCCC[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]C 87922189 572745894 /nfs/dbraw/zinc/74/58/94/572745894.db2.gz ROFHJOHUHFDZMU-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)C(C)C 87921682 572745925 /nfs/dbraw/zinc/74/59/25/572745925.db2.gz GYFNBGQTWHHBTF-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C(C)C 87921936 572745942 /nfs/dbraw/zinc/74/59/42/572745942.db2.gz QODPTUBMPHMCIK-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)CCC 87921924 572747347 /nfs/dbraw/zinc/74/73/47/572747347.db2.gz 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572763570 /nfs/dbraw/zinc/76/35/70/572763570.db2.gz MPHDZXXAXKKIHR-SNVBAGLBSA-N 2 1 195.310 2.006 10 0 AEAEMP CC[NH2+]CC[C@H](C)c1[nH+]ccn1CC 87949715 572763744 /nfs/dbraw/zinc/76/37/44/572763744.db2.gz HBFDXNHGOJCRFE-JTQLQIEISA-N 2 1 195.310 2.006 10 0 AEAEMP C[C@H]([NH3+])C(C)(C)C[N@@H+](C)CC1CCC1 85679440 572768736 /nfs/dbraw/zinc/76/87/36/572768736.db2.gz YDUNZMLZBDCHQV-JTQLQIEISA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H]([NH3+])C(C)(C)C[N@@H+](C)C1CCCC1 85678483 572769057 /nfs/dbraw/zinc/76/90/57/572769057.db2.gz ZUHPZBRKSSPQSF-SNVBAGLBSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@@H](C)[N@@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85678353 572769148 /nfs/dbraw/zinc/76/91/48/572769148.db2.gz PESKGSAQWHAKPT-NXEZZACHSA-N 2 1 186.343 2.090 10 0 AEAEMP CCC[N@@H+](CC)CC(C)(C)[C@@H](C)[NH3+] 85678369 572771640 /nfs/dbraw/zinc/77/16/40/572771640.db2.gz MMCDERLZJOLFRH-SNVBAGLBSA-N 2 1 186.343 2.092 10 0 AEAEMP C[C@@H]([NH3+])C(C)(C)C[N@@H+](C)CC1CCC1 85679443 572769825 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CCCC[N@@H+](CC)CC[C@@H](C)C[NH3+] 87998711 572911665 /nfs/dbraw/zinc/91/16/65/572911665.db2.gz TUTZHWNEFZUIJH-LLVKDONJSA-N 2 1 186.343 2.093 10 0 AEAEMP C[C@H](C[NH3+])CC[N@@H+](C)C1CCCCC1 87998715 572911755 /nfs/dbraw/zinc/91/17/55/572911755.db2.gz VPSRMZJMJIAOMA-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[N@@H+](C)CC[C@H](CC)C[NH3+] 87998708 572911781 /nfs/dbraw/zinc/91/17/81/572911781.db2.gz PROXWDVKKDZFDS-NSHDSACASA-N 2 1 186.343 2.093 10 0 AEAEMP C[C@@H](C[NH3+])[C@@H](C)[N@@H+](C)CC1CCCC1 86312564 572911783 /nfs/dbraw/zinc/91/17/83/572911783.db2.gz DGAUHPPPLWVQOE-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)C1CC1 86311477 572911805 /nfs/dbraw/zinc/91/18/05/572911805.db2.gz OPCYLOHLMQESCD-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)C1CC1 86311490 572911943 /nfs/dbraw/zinc/91/19/43/572911943.db2.gz BUXURYRMORSYBW-MNOVXSKESA-N 2 1 198.354 2.103 10 0 AEAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)C1CCCC1 86311462 572911977 /nfs/dbraw/zinc/91/19/77/572911977.db2.gz ZCMVXFYHWXLYIA-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)C1CC1 86311478 572912279 /nfs/dbraw/zinc/91/22/79/572912279.db2.gz OPCYLOHLMQESCD-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H]1CCC[N@H+]([C@@H](C)[C@@H](C)C[NH3+])C1 86311794 572912044 /nfs/dbraw/zinc/91/20/44/572912044.db2.gz ASRTWLIAJWYHAS-SDDRHHMPSA-N 2 1 198.354 2.092 10 0 AEAEMP CCCC[N@@H+](C1CC1)[C@@H]1CC[C@@H]([NH3+])C1 223142681 572912050 /nfs/dbraw/zinc/91/20/50/572912050.db2.gz TZBUXJTUNWQECQ-ZYHUDNBSSA-N 2 1 196.338 2.131 10 0 AEAEMP C[C@H](C[NH3+])[C@@H](C)[N@@H+](C)C1CCCCC1 86311247 572912081 /nfs/dbraw/zinc/91/20/81/572912081.db2.gz WMSZVEGQNXZTJG-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCC[N@@H+](CC[C@@H](C)C[NH3+])C1CC1 87999145 572912205 /nfs/dbraw/zinc/91/22/05/572912205.db2.gz OWRFCKUSQVAJGO-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)C1CCCC1 86311461 572912180 /nfs/dbraw/zinc/91/21/80/572912180.db2.gz ZCMVXFYHWXLYIA-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@H+](C1CC1)[C@@H](C)[C@@H](C)C[NH2+]C 86311550 572912196 /nfs/dbraw/zinc/91/21/96/572912196.db2.gz ZMUOGGVCSMSBGJ-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP C[NH2+]C[C@H](C)[C@@H](C)[N@H+]1CCCC1(C)C 86312510 572912289 /nfs/dbraw/zinc/91/22/89/572912289.db2.gz JTJXSPALEGJXRC-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP C[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)C1CCCC1 86311460 572912320 /nfs/dbraw/zinc/91/23/20/572912320.db2.gz ZCMVXFYHWXLYIA-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)C[NH3+] 86312076 572912406 /nfs/dbraw/zinc/91/24/06/572912406.db2.gz VOHFBCNTBBKSLE-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C1CC1 86311264 572912897 /nfs/dbraw/zinc/91/28/97/572912897.db2.gz JTNGUZQEQDSZEO-QWRGUYRKSA-N 2 1 198.354 2.103 10 0 AEAEMP CC(C)C[N@@H+](CC[C@H](C)C[NH3+])C1CC1 87999258 572912412 /nfs/dbraw/zinc/91/24/12/572912412.db2.gz WUSCVYAZBVQDJB-NSHDSACASA-N 2 1 198.354 2.092 10 0 AEAEMP CCCC[N@@H+](CC)[C@H](C)[C@@H](C)C[NH3+] 86311235 572912516 /nfs/dbraw/zinc/91/25/16/572912516.db2.gz AOLXFOSLWVUCNW-WDEREUQCSA-N 2 1 186.343 2.092 10 0 AEAEMP CCC(CC)[N@@H+](C)[C@H](C)[C@@H](C)C[NH3+] 86311741 572912543 /nfs/dbraw/zinc/91/25/43/572912543.db2.gz SQEKPQPFWFZURL-VHSXEESVSA-N 2 1 186.343 2.090 10 0 AEAEMP CC[C@@H](C[NH3+])CC[N@@H+](C)CC1CCC1 87999530 572912648 /nfs/dbraw/zinc/91/26/48/572912648.db2.gz AVNTXHMFRIFPRU-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[N@H+](C1CCCC1)[C@@H](C)[C@@H](C)C[NH3+] 86311702 572912663 /nfs/dbraw/zinc/91/26/63/572912663.db2.gz HXJGAPSQGFHNIA-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@H](C)[N@@H+](CC)[C@@H](C)[C@@H](C)C[NH3+] 86311591 572912713 /nfs/dbraw/zinc/91/27/13/572912713.db2.gz GWRQCTIQUXYAGJ-DCAQKATOSA-N 2 1 186.343 2.090 10 0 AEAEMP CC(C)C[N@@H+](CC[C@@H](C)C[NH3+])C1CC1 87999257 572913504 /nfs/dbraw/zinc/91/35/04/572913504.db2.gz WUSCVYAZBVQDJB-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H](C[NH3+])[C@H](C)[N@@H+](C)C1CCCCC1 86311248 572912812 /nfs/dbraw/zinc/91/28/12/572912812.db2.gz WMSZVEGQNXZTJG-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[N@@H+](CC[C@@H](C)C[NH3+])CC1CC1 87999135 572912892 /nfs/dbraw/zinc/91/28/92/572912892.db2.gz SKWMIELQFNJLDR-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]C1CC1 86311455 572912927 /nfs/dbraw/zinc/91/29/27/572912927.db2.gz UPRLAIJBVDCLNK-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCC[N@@H+](CC)[C@@H](C)[C@@H](C)C[NH3+] 86311234 572913031 /nfs/dbraw/zinc/91/30/31/572913031.db2.gz AOLXFOSLWVUCNW-QWRGUYRKSA-N 2 1 186.343 2.092 10 0 AEAEMP C[NH2+]C[C@@H](C)[C@@H](C)[N@H+]1CCCC1(C)C 86312511 572913075 /nfs/dbraw/zinc/91/30/75/572913075.db2.gz JTJXSPALEGJXRC-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(C)(C)[N@@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86312660 572913215 /nfs/dbraw/zinc/91/32/15/572913215.db2.gz SHLLYQFHLQTLCX-UWVGGRQHSA-N 2 1 186.343 2.090 10 0 AEAEMP CC(C)[N@@H+](CC[C@@H](C)C[NH3+])CC1CC1 87999273 572913124 /nfs/dbraw/zinc/91/31/24/572913124.db2.gz XHVBHPIYBSXAQY-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[N@@H+](CC[C@H](C)C[NH3+])CC1CC1 87999136 572913202 /nfs/dbraw/zinc/91/32/02/572913202.db2.gz SKWMIELQFNJLDR-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP C[C@@H](C[NH3+])[C@H](C)[N@@H+](C)CC1CCCC1 86312566 572913206 /nfs/dbraw/zinc/91/32/06/572913206.db2.gz DGAUHPPPLWVQOE-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP CCCC[N@@H+](CC[C@H](C)C[NH3+])C1CC1 87999146 572913249 /nfs/dbraw/zinc/91/32/49/572913249.db2.gz OWRFCKUSQVAJGO-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@H+](C1CCCC1)[C@H](C)[C@@H](C)C[NH3+] 86311703 572913265 /nfs/dbraw/zinc/91/32/65/572913265.db2.gz HXJGAPSQGFHNIA-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@H](C[NH3+])[C@@H](C)[N@@H+](C)CC1CCCC1 86312565 572913322 /nfs/dbraw/zinc/91/33/22/572913322.db2.gz DGAUHPPPLWVQOE-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)C1CC1 86311476 572913495 /nfs/dbraw/zinc/91/34/95/572913495.db2.gz OPCYLOHLMQESCD-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)C[N@H+](C1CC1)[C@@H](C)[C@@H](C)C[NH3+] 86312086 572913462 /nfs/dbraw/zinc/91/34/62/572913462.db2.gz BUVIYSOIHMSUND-QWRGUYRKSA-N 2 1 198.354 2.090 10 0 AEAEMP CC(C)[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]C1CC1 86311265 572913481 /nfs/dbraw/zinc/91/34/81/572913481.db2.gz JTNGUZQEQDSZEO-WDEREUQCSA-N 2 1 198.354 2.103 10 0 AEAEMP CCC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)C[NH3+] 86312077 572913698 /nfs/dbraw/zinc/91/36/98/572913698.db2.gz VOHFBCNTBBKSLE-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[N@@H+](CC[C@H](C)C[NH3+])CC1CC1 87999274 572913707 /nfs/dbraw/zinc/91/37/07/572913707.db2.gz XHVBHPIYBSXAQY-NSHDSACASA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)[C@H](C)C1 257629289 572913712 /nfs/dbraw/zinc/91/37/12/572913712.db2.gz HNCZTEVWRRCIMB-ZSBIGDGJSA-N 2 1 198.354 2.103 10 0 AEAEMP C[NH2+]C[C@@H](C)[C@H](C)[N@H+]1CCCC1(C)C 86312513 572913713 /nfs/dbraw/zinc/91/37/13/572913713.db2.gz JTJXSPALEGJXRC-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C1CC1 86311454 572913796 /nfs/dbraw/zinc/91/37/96/572913796.db2.gz UPRLAIJBVDCLNK-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)CC[C@@H]1CCC[N@H+](C)C[C@H]1[NH3+] 257629188 572913774 /nfs/dbraw/zinc/91/37/74/572913774.db2.gz GLJBZCPNLOTCOK-NWDGAFQWSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)CC[C@@H]1CCC[N@@H+](C)C[C@H]1[NH3+] 257629188 572913776 /nfs/dbraw/zinc/91/37/76/572913776.db2.gz GLJBZCPNLOTCOK-NWDGAFQWSA-N 2 1 198.354 2.092 10 0 AEAEMP C[NH2+]C[C@H](C)[C@H](C)[N@H+]1CCCC1(C)C 86312512 572913979 /nfs/dbraw/zinc/91/39/79/572913979.db2.gz JTJXSPALEGJXRC-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCC[N@H+](C1CC1)[C@@H](C)[C@@H](C)C[NH3+] 86312064 572913879 /nfs/dbraw/zinc/91/38/79/572913879.db2.gz RCONKTPTXHZMFI-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)[N@@H+](C)CC[C@@H](C)C[NH3+] 87999682 572914205 /nfs/dbraw/zinc/91/42/05/572914205.db2.gz FVSCQNBPVCOLJE-SNVBAGLBSA-N 2 1 186.343 2.092 10 0 AEAEMP C[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)C1CCCC1 86311463 572914263 /nfs/dbraw/zinc/91/42/63/572914263.db2.gz ZCMVXFYHWXLYIA-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)C1CC1 86311489 572914302 /nfs/dbraw/zinc/91/43/02/572914302.db2.gz BUXURYRMORSYBW-WDEREUQCSA-N 2 1 198.354 2.103 10 0 AEAEMP CCC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)C[NH3+] 86311578 572914397 /nfs/dbraw/zinc/91/43/97/572914397.db2.gz ZPVRZINPUIPZND-QWRGUYRKSA-N 2 1 186.343 2.090 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86311819 572914411 /nfs/dbraw/zinc/91/44/11/572914411.db2.gz IEROCJSZPLAHKD-DCAQKATOSA-N 2 1 186.343 2.090 10 0 AEAEMP CCC[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)C1CC1 86311479 572915130 /nfs/dbraw/zinc/91/51/30/572915130.db2.gz OPCYLOHLMQESCD-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@H+](C1CC1)[C@H](C)[C@@H](C)C[NH2+]C 86311551 572914516 /nfs/dbraw/zinc/91/45/16/572914516.db2.gz ZMUOGGVCSMSBGJ-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(C)(C)[N@@H+](C)[C@H](C)[C@@H](C)C[NH3+] 86312661 572914528 /nfs/dbraw/zinc/91/45/28/572914528.db2.gz SHLLYQFHLQTLCX-VHSXEESVSA-N 2 1 186.343 2.090 10 0 AEAEMP CC(C)[C@H]1CCC[N@@H+]1CC[C@@H](C)C[NH3+] 87999822 572914544 /nfs/dbraw/zinc/91/45/44/572914544.db2.gz JKVUNRCHEBZIIP-VXGBXAGGSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[C@@H]1CCC[N@@H+]1CC[C@@H](C)C[NH3+] 87999821 572914567 /nfs/dbraw/zinc/91/45/67/572914567.db2.gz JKVUNRCHEBZIIP-NEPJUHHUSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H](C[NH3+])[C@@H](C)[N@@H+](C)C1CCCCC1 86311246 572914570 /nfs/dbraw/zinc/91/45/70/572914570.db2.gz WMSZVEGQNXZTJG-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@@H]([C@H](C)C[NH3+])[N@@H+](C)CC1CCCC1 86312567 572914594 /nfs/dbraw/zinc/91/45/94/572914594.db2.gz DGAUHPPPLWVQOE-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP CCC(C)(C)[N@@H+](C)CC[C@H](C)C[NH3+] 87999683 572914614 /nfs/dbraw/zinc/91/46/14/572914614.db2.gz FVSCQNBPVCOLJE-JTQLQIEISA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@@H](C[NH3+])CC[N@H+]1CCC(C)(C)C1 87999883 572914662 /nfs/dbraw/zinc/91/46/62/572914662.db2.gz UCJGKSFRVNIEPO-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP C[C@@H](C[NH3+])CC[N@H+]1CCCCC[C@H]1C 87999705 572914735 /nfs/dbraw/zinc/91/47/35/572914735.db2.gz PTPXZYUTUBQDCT-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@H]1CCCCC[N@@H+]1CC[C@@H](C)C[NH3+] 87999706 572914745 /nfs/dbraw/zinc/91/47/45/572914745.db2.gz PTPXZYUTUBQDCT-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@@H]([C@H](C)C[NH3+])[N@@H+](C)C1CCCCC1 86311249 572914757 /nfs/dbraw/zinc/91/47/57/572914757.db2.gz WMSZVEGQNXZTJG-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@H]1CC[C@H](C)[N@@H+](CC[C@@H](C)C[NH3+])C1 87999816 572914788 /nfs/dbraw/zinc/91/47/88/572914788.db2.gz NNAMNAFIFIBTJW-WOPDTQHZSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)CC[C@H]1CCC[N@H+](C)C[C@H]1[NH3+] 257629189 572914848 /nfs/dbraw/zinc/91/48/48/572914848.db2.gz GLJBZCPNLOTCOK-VXGBXAGGSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)CC[C@H]1CCC[N@@H+](C)C[C@H]1[NH3+] 257629189 572914850 /nfs/dbraw/zinc/91/48/50/572914850.db2.gz GLJBZCPNLOTCOK-VXGBXAGGSA-N 2 1 198.354 2.092 10 0 AEAEMP CCCCC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86311660 572914860 /nfs/dbraw/zinc/91/48/60/572914860.db2.gz WNYMWRIEUORFBE-QWRGUYRKSA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@H](C[NH3+])CC[N@@H+](CC)CC1CC1 87999680 572914943 /nfs/dbraw/zinc/91/49/43/572914943.db2.gz YFAWMPOJOIHSJU-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)C1CC1 86311488 572914945 /nfs/dbraw/zinc/91/49/45/572914945.db2.gz BUXURYRMORSYBW-GHMZBOCLSA-N 2 1 198.354 2.103 10 0 AEAEMP CC[C@@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)C[NH3+] 86311530 572914968 /nfs/dbraw/zinc/91/49/68/572914968.db2.gz WNPQANGCYHLYON-SDDRHHMPSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)C[N@H+](C1CC1)[C@H](C)[C@@H](C)C[NH3+] 86312087 572914986 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/nfs/dbraw/zinc/00/08/58/573000858.db2.gz FXYVNBAECWVEFP-WLLOZRIZSA-N 2 1 196.338 2.129 10 0 AEAEMP C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C(C)(C)C1 259305955 573002824 /nfs/dbraw/zinc/00/28/24/573002824.db2.gz HRWZGKCVPDIMPS-JTQLQIEISA-N 2 1 198.354 2.247 10 0 AEAEMP CCCC[N@H+]1CC[C@@H](C[NH3+])CC1(C)C 259305793 573003109 /nfs/dbraw/zinc/00/31/09/573003109.db2.gz HRCFJDWXGJYWAE-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C(C)(C)C1 259305959 573003265 /nfs/dbraw/zinc/00/32/65/573003265.db2.gz HRWZGKCVPDIMPS-SNVBAGLBSA-N 2 1 198.354 2.247 10 0 AEAEMP C[NH2+]CCCC[N@@H+](CC1CC1)C(C)C 42593658 573003284 /nfs/dbraw/zinc/00/32/84/573003284.db2.gz JEHQBQGJFHFXIO-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC(CC)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 308473418 573003395 /nfs/dbraw/zinc/00/33/95/573003395.db2.gz COTAGJOSKINYCH-HOSYDEDBSA-N 2 1 198.354 2.151 10 0 AEAEMP CCC(CC)[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238244869 573003404 /nfs/dbraw/zinc/00/34/04/573003404.db2.gz FXYVNBAECWVEFP-YHPBZONMSA-N 2 1 196.338 2.129 10 0 AEAEMP CCCc1c[nH+]cn1[C@H](C)CCC[NH3+] 308473083 573004763 /nfs/dbraw/zinc/00/47/63/573004763.db2.gz JIBPOUGYUGCGKP-SNVBAGLBSA-N 2 1 195.310 2.136 10 0 AEAEMP CCC(CC)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 308473421 573005064 /nfs/dbraw/zinc/00/50/64/573005064.db2.gz COTAGJOSKINYCH-JBLDHEPKSA-N 2 1 198.354 2.151 10 0 AEAEMP CCC(CC)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 308473413 573006227 /nfs/dbraw/zinc/00/62/27/573006227.db2.gz COTAGJOSKINYCH-CKYFFXLPSA-N 2 1 198.354 2.151 10 0 AEAEMP CCC(CC)[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 308473423 573007398 /nfs/dbraw/zinc/00/73/98/573007398.db2.gz COTAGJOSKINYCH-JFGNBEQYSA-N 2 1 198.354 2.151 10 0 AEAEMP CCCC[N@H+]1CC[C@H](C[NH3+])CC1(C)C 259305797 573008551 /nfs/dbraw/zinc/00/85/51/573008551.db2.gz HRCFJDWXGJYWAE-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238253199 573011844 /nfs/dbraw/zinc/01/18/44/573011844.db2.gz BWOYOCAHAXWTMR-WISYIIOYSA-N 2 1 196.338 2.129 10 0 AEAEMP CCC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238252969 573013811 /nfs/dbraw/zinc/01/38/11/573013811.db2.gz BWOYOCAHAXWTMR-FIQHERPVSA-N 2 1 196.338 2.129 10 0 AEAEMP CC[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C 49633066 573013858 /nfs/dbraw/zinc/01/38/58/573013858.db2.gz JNMROHBIDQFJHE-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238253189 573015064 /nfs/dbraw/zinc/01/50/64/573015064.db2.gz BWOYOCAHAXWTMR-KKOKHZNYSA-N 2 1 196.338 2.129 10 0 AEAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@@H]1CCC[C@@H]1C 308479995 573015407 /nfs/dbraw/zinc/01/54/07/573015407.db2.gz GLOOGEGMYXLJAF-SRVKXCTJSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C 49633064 573015577 /nfs/dbraw/zinc/01/55/77/573015577.db2.gz JNMROHBIDQFJHE-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@]1(C[C@@H]2CCC[N@H+]2C)CCC[NH2+]1 258225858 573015762 /nfs/dbraw/zinc/01/57/62/573015762.db2.gz PFBIEVOQRQFLBV-RYUDHWBXSA-N 2 1 196.338 2.003 10 0 AEAEMP CC[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C 49633065 573015847 /nfs/dbraw/zinc/01/58/47/573015847.db2.gz JNMROHBIDQFJHE-VXGBXAGGSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@]1(C[C@@H]2CCC[N@H+]2C)CCC[NH2+]1 258225856 573016184 /nfs/dbraw/zinc/01/61/84/573016184.db2.gz PFBIEVOQRQFLBV-NWDGAFQWSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@H]1CCC[C@@H]1C 308479997 573015919 /nfs/dbraw/zinc/01/59/19/573015919.db2.gz GLOOGEGMYXLJAF-TUAOUCFPSA-N 2 1 198.354 2.140 10 0 AEAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCC[NH3+] 42602228 573016742 /nfs/dbraw/zinc/01/67/42/573016742.db2.gz LMAPIWPPPGQAQT-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@H]1CCC[C@H]1C 308479998 573016852 /nfs/dbraw/zinc/01/68/52/573016852.db2.gz GLOOGEGMYXLJAF-UTUOFQBUSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@@H]1CCC[C@H]1C 308480000 573016889 /nfs/dbraw/zinc/01/68/89/573016889.db2.gz GLOOGEGMYXLJAF-WOPDTQHZSA-N 2 1 198.354 2.140 10 0 AEAEMP C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H](C)CC[NH3+] 42602416 573016899 /nfs/dbraw/zinc/01/68/99/573016899.db2.gz FJRPKPRZUMNAFX-SDDRHHMPSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C 49633063 573017196 /nfs/dbraw/zinc/01/71/96/573017196.db2.gz JNMROHBIDQFJHE-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@]1(C[C@H]2CCC[N@H+]2C)CCC[NH2+]1 258225854 573019819 /nfs/dbraw/zinc/01/98/19/573019819.db2.gz PFBIEVOQRQFLBV-NEPJUHHUSA-N 2 1 196.338 2.003 10 0 AEAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)CCCC[NH3+] 42602232 573020125 /nfs/dbraw/zinc/02/01/25/573020125.db2.gz LMAPIWPPPGQAQT-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCC[NH3+] 42602226 573020731 /nfs/dbraw/zinc/02/07/31/573020731.db2.gz LMAPIWPPPGQAQT-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCC[NH3+] 42602230 573020577 /nfs/dbraw/zinc/02/05/77/573020577.db2.gz LMAPIWPPPGQAQT-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@H+]1CCCC[C@H]1/C=C\CC[NH2+]C 258227802 573026712 /nfs/dbraw/zinc/02/67/12/573026712.db2.gz PFWGNHNOMHUGCQ-HXUAIIEXSA-N 2 1 196.338 2.027 10 0 AEAEMP CC[NH2+]CCCC[N@H+]1C[C@@H](C)C[C@@H]1C 158275060 573026719 /nfs/dbraw/zinc/02/67/19/573026719.db2.gz JOUFYPCHYQLDQY-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCC[N@H+]1CCC[NH2+]CC[C@@H]1C 259314855 573036239 /nfs/dbraw/zinc/03/62/39/573036239.db2.gz IAFBIEUTCHDSJD-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCCC[N@H+]1CCC[NH2+]CC[C@H]1C 259314851 573038250 /nfs/dbraw/zinc/03/82/50/573038250.db2.gz IAFBIEUTCHDSJD-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CC(C)CC[N@H+]1CCCCN[C@@H](C)C1 259317836 573040695 /nfs/dbraw/zinc/04/06/95/573040695.db2.gz IEHQFFKWNXEEBE-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP C[N@H+]1CCCC[C@@H]1CC1([NH3+])CCCC1 257934068 573042972 /nfs/dbraw/zinc/04/29/72/573042972.db2.gz HIBJDTXPNFOFNF-LLVKDONJSA-N 2 1 196.338 2.132 10 0 AEAEMP CCC[C@H]1CCCC[N@H+]1CCCC[NH3+] 213048716 573043701 /nfs/dbraw/zinc/04/37/01/573043701.db2.gz FYFJEMNPNIHZST-LBPRGKRZSA-N 2 1 198.354 2.380 10 0 AEAEMP C[N@H+]1CCCC[C@H]1CC1([NH3+])CCCC1 257934071 573043799 /nfs/dbraw/zinc/04/37/99/573043799.db2.gz HIBJDTXPNFOFNF-NSHDSACASA-N 2 1 196.338 2.132 10 0 AEAEMP CCC[C@@H]1CCCC[N@H+]1CCCC[NH3+] 213048662 573044372 /nfs/dbraw/zinc/04/43/72/573044372.db2.gz FYFJEMNPNIHZST-GFCCVEGCSA-N 2 1 198.354 2.380 10 0 AEAEMP CC[C@H](C)[N@@H+]1CCC[C@@H](NC)C1(C)C 259317740 573046918 /nfs/dbraw/zinc/04/69/18/573046918.db2.gz IDWTXNJKUHKVGO-WDEREUQCSA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)CC[N@H+]1CCCCN[C@H](C)C1 259317830 573048001 /nfs/dbraw/zinc/04/80/01/573048001.db2.gz IEHQFFKWNXEEBE-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCC[N@H+]1CC[C@@H]([NH2+]C)C[C@@H]1C 49707830 573050279 /nfs/dbraw/zinc/05/02/79/573050279.db2.gz UTHVGPIGXWBNFG-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP C[C@H]1CCCCC[N@H+]1CC1(N)CCC1 88052228 573053414 /nfs/dbraw/zinc/05/34/14/573053414.db2.gz PTAZSLSDHWNXDB-NSHDSACASA-N 2 1 196.338 2.132 10 0 AEAEMP CC[C@H]1CC[C@H](C)[N@H+](C[C@H](C)NC)C1 308487054 573053687 /nfs/dbraw/zinc/05/36/87/573053687.db2.gz OUOQQVCWVRFHHY-SRVKXCTJSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H]1CC[C@H](C)[N@@H+](C[C@H](C)NC)C1 308487054 573053692 /nfs/dbraw/zinc/05/36/92/573053692.db2.gz OUOQQVCWVRFHHY-SRVKXCTJSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCCC[N@H+]1CC[C@H]([NH2+]C)C[C@@H]1C 49707829 573053755 /nfs/dbraw/zinc/05/37/55/573053755.db2.gz UTHVGPIGXWBNFG-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H]1CC[N@@H+](CCC[NH2+]CC)C1 128517334 573054181 /nfs/dbraw/zinc/05/41/81/573054181.db2.gz GHNUWQUPKKCWLO-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP C[C@@H]1CCCCC[N@H+]1CC1(N)CCC1 88052227 573054611 /nfs/dbraw/zinc/05/46/11/573054611.db2.gz PTAZSLSDHWNXDB-LLVKDONJSA-N 2 1 196.338 2.132 10 0 AEAEMP CC[C@@H]1CC[C@H](C)[N@H+](C[C@H](C)NC)C1 308487053 573055285 /nfs/dbraw/zinc/05/52/85/573055285.db2.gz OUOQQVCWVRFHHY-SDDRHHMPSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H]1CC[C@H](C)[N@@H+](C[C@H](C)NC)C1 308487053 573055292 /nfs/dbraw/zinc/05/52/92/573055292.db2.gz OUOQQVCWVRFHHY-SDDRHHMPSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@H]1CC[N@@H+](CCC[NH2+]CC)C1 128517528 573056624 /nfs/dbraw/zinc/05/66/24/573056624.db2.gz GHNUWQUPKKCWLO-LBPRGKRZSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@H+]1CCCC[C@@H]1C 128537330 573060324 /nfs/dbraw/zinc/06/03/24/573060324.db2.gz IGQATRKLCNEHIH-RYUDHWBXSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@H+]1CCC[C@H](C)C1 128539224 573060896 /nfs/dbraw/zinc/06/08/96/573060896.db2.gz PTKXDVKCDRZXIV-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[N@@H+](C)CC[C@H]([NH3+])CCC 128542263 573061770 /nfs/dbraw/zinc/06/17/70/573061770.db2.gz RQGAGPHEGHAJEK-LLVKDONJSA-N 2 1 186.343 2.236 10 0 AEAEMP CC[C@H](C)[N@H+]1CC[C@H](C[NH3+])CC1(C)C 259320457 573062107 /nfs/dbraw/zinc/06/21/07/573062107.db2.gz IHHDCRSLSFPBJN-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])CC1(C)C 259320461 573063978 /nfs/dbraw/zinc/06/39/78/573063978.db2.gz IHHDCRSLSFPBJN-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@@H]([NH3+])CC[N@H+]1CCCC[C@@H]1C 128537572 573064549 /nfs/dbraw/zinc/06/45/49/573064549.db2.gz IGQATRKLCNEHIH-NWDGAFQWSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[NH+](CC)C(C)(C)C[NH2+]CC1CC1 308494769 573065658 /nfs/dbraw/zinc/06/56/58/573065658.db2.gz CTUYSQRARKRKQN-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H]([NH3+])CC[N@@H+](C)C1CCCC1 128553803 573065993 /nfs/dbraw/zinc/06/59/93/573065993.db2.gz ROIDMIQNHQGYIN-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@@H+](CC)C(C)C 128552566 573066377 /nfs/dbraw/zinc/06/63/77/573066377.db2.gz LJNJIKIHOXHFES-NSHDSACASA-N 2 1 186.343 2.234 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@@H+](C)CC(C)C 128555945 573066623 /nfs/dbraw/zinc/06/66/23/573066623.db2.gz IQDVLHLDSASVGO-NSHDSACASA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@@H+](CCC)C1CC1 128555032 573066882 /nfs/dbraw/zinc/06/68/82/573066882.db2.gz ZDTCHMVNFARVMB-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[N@@H+](CCCC(N)=[NH2+])CC(C)C 308488754 573067085 /nfs/dbraw/zinc/06/70/85/573067085.db2.gz PMWTWVQPBFRMQC-UHFFFAOYSA-N 2 1 199.342 2.071 10 0 AEAEMP CCC[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C1CC1 128565279 573067056 /nfs/dbraw/zinc/06/70/56/573067056.db2.gz DWIGWXJEVRGOGA-CMPLNLGQSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C1CC1 128565070 573067613 /nfs/dbraw/zinc/06/76/13/573067613.db2.gz DWIGWXJEVRGOGA-JQWIXIFHSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(CC)C[N@@H+](C)CC1CC([NH3+])C1 128558610 573067298 /nfs/dbraw/zinc/06/72/98/573067298.db2.gz OFTIBAAALOCDMP-UHFFFAOYSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H](C1CC1)[N@@H+](C)CC(C)(C)CC[NH3+] 308488526 573067594 /nfs/dbraw/zinc/06/75/94/573067594.db2.gz PSUTZHCWIIFTHY-JTQLQIEISA-N 2 1 198.354 2.092 10 0 AEAEMP CC1=CC[N@@H+](CC(C)(C)CC[NH3+])CC1 308494406 573068473 /nfs/dbraw/zinc/06/84/73/573068473.db2.gz SGLJPJSQWDZWEN-UHFFFAOYSA-N 2 1 196.338 2.013 10 0 AEAEMP CCC[C@@H]([NH3+])CC[N@@H+](CC)CCC 128554260 573068915 /nfs/dbraw/zinc/06/89/15/573068915.db2.gz BUYJJRUMRCJTLY-LLVKDONJSA-N 2 1 186.343 2.236 10 0 AEAEMP C[C@H](C1CC1)[N@@H+](C)CC(C)(C)CC[NH3+] 308488527 573068957 /nfs/dbraw/zinc/06/89/57/573068957.db2.gz PSUTZHCWIIFTHY-SNVBAGLBSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@@H]([NH3+])CC[N@@H+](CCC)C1CC1 128555271 573069036 /nfs/dbraw/zinc/06/90/36/573069036.db2.gz ZDTCHMVNFARVMB-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[C@@H]([NH3+])CC[N@@H+](CC)C(C)C 128552798 573069677 /nfs/dbraw/zinc/06/96/77/573069677.db2.gz LJNJIKIHOXHFES-LLVKDONJSA-N 2 1 186.343 2.234 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@@H+](C)C1CCCC1 128553559 573070093 /nfs/dbraw/zinc/07/00/93/573070093.db2.gz ROIDMIQNHQGYIN-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CC[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/C[NH3+])C1 308488932 573070911 /nfs/dbraw/zinc/07/09/11/573070911.db2.gz PTJALYLFCNVZPB-GKUNOOHESA-N 2 1 196.338 2.012 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)CC 128556446 573071407 /nfs/dbraw/zinc/07/14/07/573071407.db2.gz HFDWDKYHLNTXMO-QWRGUYRKSA-N 2 1 186.343 2.234 10 0 AEAEMP CCC[C@@H]([NH3+])CC[N@H+]1CCC[C@@H]1CC 128572226 573073207 /nfs/dbraw/zinc/07/32/07/573073207.db2.gz UWLNISIIPCXLCR-NEPJUHHUSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@H+]1CCC[C@@H]1CC 128571989 573073675 /nfs/dbraw/zinc/07/36/75/573073675.db2.gz UWLNISIIPCXLCR-RYUDHWBXSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\C[NH3+])C1 308488936 573074906 /nfs/dbraw/zinc/07/49/06/573074906.db2.gz PTJALYLFCNVZPB-XLMCQVRKSA-N 2 1 196.338 2.012 10 0 AEAEMP CC[C@@H]1CC[C@H](C)[N@@H+](C/C=C/C[NH3+])C1 308488935 573075385 /nfs/dbraw/zinc/07/53/85/573075385.db2.gz PTJALYLFCNVZPB-RUULKOMLSA-N 2 1 196.338 2.012 10 0 AEAEMP CC[NH2+][C@@]1(C[NH3+])CCC(C)(C)C[C@@H]1C 88131934 573075453 /nfs/dbraw/zinc/07/54/53/573075453.db2.gz LLFQAKYNAFWPDK-CMPLNLGQSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[C@@H]1CC[C@H](C)[N@@H+](C/C=C\C[NH3+])C1 308488934 573075951 /nfs/dbraw/zinc/07/59/51/573075951.db2.gz PTJALYLFCNVZPB-KBIXYVOKSA-N 2 1 196.338 2.012 10 0 AEAEMP CC[NH2+][C@]1(C[NH3+])CCC(C)(C)C[C@H]1C 88131935 573075968 /nfs/dbraw/zinc/07/59/68/573075968.db2.gz LLFQAKYNAFWPDK-PWSUYJOCSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[NH2+][C@]1(C[NH3+])CCC(C)(C)C[C@@H]1C 88131933 573076505 /nfs/dbraw/zinc/07/65/05/573076505.db2.gz LLFQAKYNAFWPDK-JQWIXIFHSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[NH2+][C@@]1(C[NH3+])CCC(C)(C)C[C@H]1C 88131936 573076555 /nfs/dbraw/zinc/07/65/55/573076555.db2.gz LLFQAKYNAFWPDK-ZYHUDNBSSA-N 2 1 198.354 2.140 10 0 AEAEMP C[C@H]1CCC[N@@H+](CC(C)(C)C[NH3+])CC1 82490216 573077924 /nfs/dbraw/zinc/07/79/24/573077924.db2.gz FEUSQOFDBZHOIY-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@@H]1CC[N@@H+](CC(C)(C)CC[NH3+])C1 308492027 573078510 /nfs/dbraw/zinc/07/85/10/573078510.db2.gz RDYFHMIFBRJSIW-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)C[NH2+]CC[C@H]1CCCC[N@H+]1C 49754999 573079045 /nfs/dbraw/zinc/07/90/45/573079045.db2.gz LOGBFVMGUVTCSU-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[NH2+]CC[C@@H]1CCCC[N@H+]1C 49750724 573080889 /nfs/dbraw/zinc/08/08/89/573080889.db2.gz WUNGUTXUIVDNTL-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP C[C@@H]1CCC[N@@H+](CC(C)(C)C[NH3+])CC1 82490213 573081898 /nfs/dbraw/zinc/08/18/98/573081898.db2.gz FEUSQOFDBZHOIY-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CC[C@@H](C)[C@@H](C)[N@H+](C)[C@@H]1CCCNC1 82499197 573082967 /nfs/dbraw/zinc/08/29/67/573082967.db2.gz FYIMOBIAJIIISH-IJLUTSLNSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H](C)[C@@H](C)[N@@H+](C)[C@@H]1CCCNC1 82499197 573082975 /nfs/dbraw/zinc/08/29/75/573082975.db2.gz FYIMOBIAJIIISH-IJLUTSLNSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H]1CCCC[N@H+]1CC(C)(C)C[NH3+] 49811921 573089058 /nfs/dbraw/zinc/08/90/58/573089058.db2.gz PTNOBLLZBTYSNZ-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@](C)(C[NH3+])C[N@@H+](C)CCC1CC1 308500301 573091458 /nfs/dbraw/zinc/09/14/58/573091458.db2.gz GGCMAMXUWJIQBY-GFCCVEGCSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[C@@H]([NH3+])CC[N@@H+](C)CC1CCC1 128630973 573091531 /nfs/dbraw/zinc/09/15/31/573091531.db2.gz VPMMBYXRAGLRED-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@H]1CCCC[N@H+]1CC(C)(C)C[NH3+] 49811922 573092002 /nfs/dbraw/zinc/09/20/02/573092002.db2.gz PTNOBLLZBTYSNZ-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@H+]1CCCC1(C)C 128635834 573093601 /nfs/dbraw/zinc/09/36/01/573093601.db2.gz QHUHPIDSUKZZJZ-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP C[NH2+]C[C@H]1CCC(C)(C)[N@H+](C(C)C)C1 259327162 573093859 /nfs/dbraw/zinc/09/38/59/573093859.db2.gz IPPIJQKECUUAJH-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1C[C@@H]1C 128646408 573094550 /nfs/dbraw/zinc/09/45/50/573094550.db2.gz ZSSPSAHNXZFPCT-SRVKXCTJSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@@H](C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC 223937954 573094687 /nfs/dbraw/zinc/09/46/87/573094687.db2.gz SYGXLSMWGRBBSH-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C[N@H+]1CC[C@@H](C)C1)[NH2+]CC 223937954 573094695 /nfs/dbraw/zinc/09/46/95/573094695.db2.gz SYGXLSMWGRBBSH-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@](C)(C[NH3+])C[N@@H+](C)CCC1CC1 308500302 573094816 /nfs/dbraw/zinc/09/48/16/573094816.db2.gz GGCMAMXUWJIQBY-LBPRGKRZSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@@H+](C)CC1CCC1 128630763 573095380 /nfs/dbraw/zinc/09/53/80/573095380.db2.gz VPMMBYXRAGLRED-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H]([NH3+])CC[N@H+]1CCCC1(C)C 128636048 573095614 /nfs/dbraw/zinc/09/56/14/573095614.db2.gz QHUHPIDSUKZZJZ-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP C[NH2+]C[C@@H]1CCC(C)(C)[N@H+](C(C)C)C1 259327163 573098130 /nfs/dbraw/zinc/09/81/30/573098130.db2.gz IPPIJQKECUUAJH-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@H]([NH3+])CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 128663943 573096865 /nfs/dbraw/zinc/09/68/65/573096865.db2.gz MLRDOAUYWOPWGY-TUAOUCFPSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[N@H+]1CCCC[C@@H]1CC1([NH3+])CCC1 257943805 573097921 /nfs/dbraw/zinc/09/79/21/573097921.db2.gz ICNRSGPOLTYWBO-LLVKDONJSA-N 2 1 196.338 2.132 10 0 AEAEMP CC[N@H+]1CCCC[C@H]1CC1([NH3+])CCC1 257943807 573098442 /nfs/dbraw/zinc/09/84/42/573098442.db2.gz ICNRSGPOLTYWBO-NSHDSACASA-N 2 1 196.338 2.132 10 0 AEAEMP CC(C)(C[NH2+]C1CCC1)[NH+]1CCCC1 308501319 573099139 /nfs/dbraw/zinc/09/91/39/573099139.db2.gz GTANVCIJPVHWFM-UHFFFAOYSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[C@@H]([NH3+])CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 128664150 573099285 /nfs/dbraw/zinc/09/92/85/573099285.db2.gz MLRDOAUYWOPWGY-GRYCIOLGSA-N 2 1 198.354 2.092 10 0 AEAEMP C[NH2+]CCC/C=C\C1=C[N@@H+](C)CCC1 308262274 573105280 /nfs/dbraw/zinc/10/52/80/573105280.db2.gz NGJCNBVTWUVBOU-DAXSKMNVSA-N 2 1 194.322 2.152 10 0 AEAEMP CC(C)[N@H+]1CCC[C@H]1CC(C)(C)C[NH3+] 259332878 573109025 /nfs/dbraw/zinc/10/90/25/573109025.db2.gz DDYRKKCLWMTFAO-NSHDSACASA-N 2 1 198.354 2.234 10 0 AEAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C)CC1(C)C 259329947 573112336 /nfs/dbraw/zinc/11/23/36/573112336.db2.gz IUZCMZCLTDJPRA-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)[N@H+]1CCC[C@@H]1CC(C)(C)C[NH3+] 259332874 573112075 /nfs/dbraw/zinc/11/20/75/573112075.db2.gz DDYRKKCLWMTFAO-LLVKDONJSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[N@H+]1CCC[C@H](CC[NH3+])C1(C)C 259329922 573113108 /nfs/dbraw/zinc/11/31/08/573113108.db2.gz IUVZIIXSQSLZIX-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[N@H+]1CC[C@H]([NH2+]C)CC1(C)C 259329952 573113136 /nfs/dbraw/zinc/11/31/36/573113136.db2.gz IUZCMZCLTDJPRA-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@H+]1CCC[C@@H](CC[NH3+])C1(C)C 259329927 573114467 /nfs/dbraw/zinc/11/44/67/573114467.db2.gz IUVZIIXSQSLZIX-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@@H]1CCC[N@H+](CC(C)(C)[C@@H](C)[NH3+])C1 85678172 573114701 /nfs/dbraw/zinc/11/47/01/573114701.db2.gz CLBJQJBPENWHOV-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1CCCC[N@@H+]1CC(C)(C)[C@@H](C)[NH3+] 85678133 573114884 /nfs/dbraw/zinc/11/48/84/573114884.db2.gz SORQVWUEUZFDKL-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@H]1[C@H](C[NH3+])CCCC[N@H+]1C(C)C 238287709 573115507 /nfs/dbraw/zinc/11/55/07/573115507.db2.gz KYHLOLPORPKVBQ-RYUDHWBXSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@@H]1CCCC[N@@H+]1CC(C)(C)[C@@H](C)[NH3+] 85678129 573115873 /nfs/dbraw/zinc/11/58/73/573115873.db2.gz SORQVWUEUZFDKL-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1CCCC1(C)C 85679535 573117986 /nfs/dbraw/zinc/11/79/86/573117986.db2.gz LNRGHKSFJIEGCH-JTQLQIEISA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@H]1CCC[N@H+](CC(C)(C)[C@@H](C)[NH3+])C1 85678175 573118628 /nfs/dbraw/zinc/11/86/28/573118628.db2.gz CLBJQJBPENWHOV-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@H](C)[N@@H+](CCC)CCC[NH3+] 233333725 573121195 /nfs/dbraw/zinc/12/11/95/573121195.db2.gz ALGNZXLBPPTWDE-NSHDSACASA-N 2 1 186.343 2.236 10 0 AEAEMP CCC(CC)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C 131942430 573121299 /nfs/dbraw/zinc/12/12/99/573121299.db2.gz GCDBAFGUSPKKID-CMPLNLGQSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(CC)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 131942430 573121307 /nfs/dbraw/zinc/12/13/07/573121307.db2.gz GCDBAFGUSPKKID-CMPLNLGQSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H](C)[N@H+]1CC[C@H]([NH2+]C)C(C)(C)C1 259335023 573122769 /nfs/dbraw/zinc/12/27/69/573122769.db2.gz RWGYBGSWMOVDPR-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)[N@H+]1CC[C@@H]([NH2+]C)C(C)(C)C1 259335028 573124665 /nfs/dbraw/zinc/12/46/65/573124665.db2.gz RWGYBGSWMOVDPR-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(CC)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C 131942629 573125985 /nfs/dbraw/zinc/12/59/85/573125985.db2.gz GCDBAFGUSPKKID-JQWIXIFHSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(CC)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C 131942629 573125991 /nfs/dbraw/zinc/12/59/91/573125991.db2.gz GCDBAFGUSPKKID-JQWIXIFHSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCC[C@H]([NH2+]C)C(C)(C)[NH+](C)C 85737166 573126300 /nfs/dbraw/zinc/12/63/00/573126300.db2.gz IBGXCKXFUXXORU-JTQLQIEISA-N 2 1 186.343 2.105 10 0 AEAEMP CC[C@@](C)([C@@H](CC1CC1)[NH2+]C)[NH+](C)C 85746347 573134634 /nfs/dbraw/zinc/13/46/34/573134634.db2.gz PFNJGLCRCFCUBC-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@@H](C1CC1)[C@@](C)(CC)[NH+](C)C 85746897 573137317 /nfs/dbraw/zinc/13/73/17/573137317.db2.gz SEXKUBBAIUEORI-NWDGAFQWSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)C[C@@H](C[NH3+])[NH2+]C1CC=CC1 394427956 573138053 /nfs/dbraw/zinc/13/80/53/573138053.db2.gz SIXNGNXURWIGPF-JQWIXIFHSA-N 2 1 196.338 2.058 10 0 AEAEMP CC(C)[N@H+]1CCC[C@@H]1CCC1([NH3+])CC1 257953446 573138187 /nfs/dbraw/zinc/13/81/87/573138187.db2.gz IVNULKMVRGWIKG-LLVKDONJSA-N 2 1 196.338 2.131 10 0 AEAEMP CCC[NH2+][C@@H](CC)C(C)(C)[NH+](C)C 85738171 573138188 /nfs/dbraw/zinc/13/81/88/573138188.db2.gz YOGOQCYBMJXGFN-JTQLQIEISA-N 2 1 186.343 2.105 10 0 AEAEMP CC(C)[N@H+]1CCC[C@H]1CCC1([NH3+])CC1 257953450 573140363 /nfs/dbraw/zinc/14/03/63/573140363.db2.gz IVNULKMVRGWIKG-NSHDSACASA-N 2 1 196.338 2.131 10 0 AEAEMP CC1(C)CC[N@H+](C(C)(C)C)C[C@H]1C[NH3+] 259346348 573145191 /nfs/dbraw/zinc/14/51/91/573145191.db2.gz SRHITEDZSSWQNH-SNVBAGLBSA-N 2 1 198.354 2.092 10 0 AEAEMP CC1(C)CC[N@H+](C(C)(C)C)C[C@@H]1C[NH3+] 259346346 573145458 /nfs/dbraw/zinc/14/54/58/573145458.db2.gz SRHITEDZSSWQNH-JTQLQIEISA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)c1[nH+]c[nH]c1C1CC[NH2+]CC1 258552455 573147903 /nfs/dbraw/zinc/14/79/03/573147903.db2.gz JFVLKQSZVGBEJQ-UHFFFAOYSA-N 2 1 193.294 2.000 10 0 AEAEMP CC[N@H+]1CCC[C@@H](C/C=C\CC[NH3+])C1 258236117 573149936 /nfs/dbraw/zinc/14/99/36/573149936.db2.gz PSHVHPVXUALRKT-VSQXVHSFSA-N 2 1 196.338 2.013 10 0 AEAEMP CC[C@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]CC1 82666588 573150240 /nfs/dbraw/zinc/15/02/40/573150240.db2.gz NOMCBJKOZHQCAY-NWDGAFQWSA-N 2 1 196.338 2.003 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]CC1 82666587 573150698 /nfs/dbraw/zinc/15/06/98/573150698.db2.gz NOMCBJKOZHQCAY-VXGBXAGGSA-N 2 1 196.338 2.003 10 0 AEAEMP CC1(C)CCC[N@H+]1[C@H]1CCC[NH2+]CC1 82666907 573150808 /nfs/dbraw/zinc/15/08/08/573150808.db2.gz UKMKTSXLYQCTNI-NSHDSACASA-N 2 1 196.338 2.003 10 0 AEAEMP CC[N@H+]1CCC[C@H](C/C=C\CC[NH3+])C1 258236115 573151757 /nfs/dbraw/zinc/15/17/57/573151757.db2.gz PSHVHPVXUALRKT-MVZIDQBPSA-N 2 1 196.338 2.013 10 0 AEAEMP CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666717 573152262 /nfs/dbraw/zinc/15/22/62/573152262.db2.gz HMGGQKPPFPBSNN-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666718 573152376 /nfs/dbraw/zinc/15/23/76/573152376.db2.gz HMGGQKPPFPBSNN-NWDGAFQWSA-N 2 1 198.354 2.105 10 0 AEAEMP C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[NH2+]CC1 82666595 573152725 /nfs/dbraw/zinc/15/27/25/573152725.db2.gz DVIAKYDZKPHWSC-VXGBXAGGSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[C@@H]1CCCC[N@H+]1C[C@@H](C)C[NH3+] 213092834 573152834 /nfs/dbraw/zinc/15/28/34/573152834.db2.gz VEJZUDXBJJVGQI-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP C[N@@H+](C1CCCC1)[C@H]1CCC[NH2+]CC1 82666656 573153478 /nfs/dbraw/zinc/15/34/78/573153478.db2.gz IDLIHEFVJHIZRI-LBPRGKRZSA-N 2 1 196.338 2.003 10 0 AEAEMP CC[C@@H](C[NH3+])CC[N@@H+](C)CCC1CC1 308506331 573154203 /nfs/dbraw/zinc/15/42/03/573154203.db2.gz IUIXRZZVDPTYRS-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)[NH2+]CCCC[N@H+]1CC[C@@H](C)C1 40725361 573154641 /nfs/dbraw/zinc/15/46/41/573154641.db2.gz HUQROVRPJNAFJF-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CC1(C)CCC[N@H+]1[C@@H]1CCC[NH2+]CC1 82666906 573154990 /nfs/dbraw/zinc/15/49/90/573154990.db2.gz UKMKTSXLYQCTNI-LLVKDONJSA-N 2 1 196.338 2.003 10 0 AEAEMP C[N@@H+](CC(C)(C)C)[C@@H]1CCC[NH2+]CC1 82666838 573155382 /nfs/dbraw/zinc/15/53/82/573155382.db2.gz UQLDRQSPNFMACR-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP C[C@H]1CCCC[N@H+]1[C@@H]1CCC[NH2+]CC1 82666596 573155444 /nfs/dbraw/zinc/15/54/44/573155444.db2.gz DVIAKYDZKPHWSC-NWDGAFQWSA-N 2 1 196.338 2.003 10 0 AEAEMP CC[C@H](C[NH3+])CC[N@@H+](C)CCC1CC1 308506333 573155972 /nfs/dbraw/zinc/15/59/72/573155972.db2.gz IUIXRZZVDPTYRS-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP C[N@@H+](CCC1CC1)CC(C)(C)CC[NH3+] 308506594 573157472 /nfs/dbraw/zinc/15/74/72/573157472.db2.gz IYLXHIJHDNKDQD-UHFFFAOYSA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)[N@H+]1CCC[C@H]1C1([NH3+])CCCC1 257958759 573160457 /nfs/dbraw/zinc/16/04/57/573160457.db2.gz JCXRVGLBDRHDLZ-NSHDSACASA-N 2 1 196.338 2.131 10 0 AEAEMP CC(C)[N@H+]1CCC[C@@H]1C1([NH3+])CCCC1 257958756 573161705 /nfs/dbraw/zinc/16/17/05/573161705.db2.gz JCXRVGLBDRHDLZ-LLVKDONJSA-N 2 1 196.338 2.131 10 0 AEAEMP C[N@H+](CCC1CC1)C[C@@H]([NH3+])C(C)(C)C 308507467 573163078 /nfs/dbraw/zinc/16/30/78/573163078.db2.gz JHPUBBIZVXOQFO-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP C[N@@H+](CCC1CC1)C[C@@H](N)C(C)(C)C 308507467 573163071 /nfs/dbraw/zinc/16/30/71/573163071.db2.gz JHPUBBIZVXOQFO-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP C[NH2+]C[C@H]1CC[N@@H+](C(C)(C)C)C1(C)C 259351257 573167356 /nfs/dbraw/zinc/16/73/56/573167356.db2.gz JSHQJMIFNYHJSM-SNVBAGLBSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H]1[C@H](C[NH3+])CCCC[N@H+]1C(C)C 238298372 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AEAEMP CC[N@H+]1CCC=C(CC[C@H](C)[NH2+]C)C1 257962802 573187734 /nfs/dbraw/zinc/18/77/34/573187734.db2.gz FYUHLCGZBOLBJX-NSHDSACASA-N 2 1 196.338 2.027 10 0 AEAEMP CC[C@@H](C)[N@H+]1CCC(C)(C)[C@H]([NH2+]C)C1 259363093 573187784 /nfs/dbraw/zinc/18/77/84/573187784.db2.gz UMVGKFUHBGSETG-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP C[C@H]1CCC[C@@H](C)[N@H+]1CCC(C)(C)[NH3+] 82777063 573188564 /nfs/dbraw/zinc/18/85/64/573188564.db2.gz SRSMGJRIXVDDFJ-PHIMTYICSA-N 2 1 198.354 2.377 10 0 AEAEMP CCC[N@@H+](CC(C)C)[C@@H]1CC[C@H]([NH3+])C1 308514818 573189673 /nfs/dbraw/zinc/18/96/73/573189673.db2.gz UNZNWNSNBKKVQZ-NWDGAFQWSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])C1 308514819 573190284 /nfs/dbraw/zinc/19/02/84/573190284.db2.gz UNZNWNSNBKKVQZ-RYUDHWBXSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@H](C)[N@H+]1CCC(C)(C)[C@H]([NH2+]C)C1 259363097 573190335 /nfs/dbraw/zinc/19/03/35/573190335.db2.gz UMVGKFUHBGSETG-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP 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82785572 573193981 /nfs/dbraw/zinc/19/39/81/573193981.db2.gz GXFCUBAZHPWCAA-GHMZBOCLSA-N 2 1 196.338 2.131 10 0 AEAEMP CC(C)[C@H](C)[C@@H](C[NH3+])[NH2+]C1CCCC1 308516140 573193680 /nfs/dbraw/zinc/19/36/80/573193680.db2.gz NPKYCMUKRUZQQY-CMPLNLGQSA-N 2 1 198.354 2.138 10 0 AEAEMP CC(C)[C@H](C)[C@H](C[NH3+])[NH2+]C1CCCC1 308516141 573194546 /nfs/dbraw/zinc/19/45/46/573194546.db2.gz NPKYCMUKRUZQQY-JQWIXIFHSA-N 2 1 198.354 2.138 10 0 AEAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C1(C)CCCC1 82785575 573194720 /nfs/dbraw/zinc/19/47/20/573194720.db2.gz GXFCUBAZHPWCAA-QWRGUYRKSA-N 2 1 196.338 2.131 10 0 AEAEMP C[NH2+][C@@](C)(C(C)C)[NH+]1CCCCC1 238309990 573195095 /nfs/dbraw/zinc/19/50/95/573195095.db2.gz GOWKCJPKBINGAA-LLVKDONJSA-N 2 1 184.327 2.064 10 0 AEAEMP C[NH2+][C@](C)(C(C)C)[NH+]1CCCCC1 238311690 573202087 /nfs/dbraw/zinc/20/20/87/573202087.db2.gz GOWKCJPKBINGAA-NSHDSACASA-N 2 1 184.327 2.064 10 0 AEAEMP C[NH2+][C@@H](C)C[C@@H](C)n1c[nH+]c(C)c1C 82803857 573206076 /nfs/dbraw/zinc/20/60/76/573206076.db2.gz NBLHPKQYDNZGIP-DTWKUNHWSA-N 2 1 195.310 2.059 10 0 AEAEMP C[C@H]([NH3+])C[C@@H](C)[N@H+]1CCCC(C)(C)C1 82803346 573206354 /nfs/dbraw/zinc/20/63/54/573206354.db2.gz SVMIXKIBIVHWBD-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[N@@H+]1CCCC[C@@H]1C[C@H](C)C[NH3+] 259371725 573206820 /nfs/dbraw/zinc/20/68/20/573206820.db2.gz GPCWGRZEMMILSG-NWDGAFQWSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[N@@H+]1CCCC[C@H]1C[C@H](C)C[NH3+] 259371728 573206849 /nfs/dbraw/zinc/20/68/49/573206849.db2.gz GPCWGRZEMMILSG-RYUDHWBXSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[N@@H+]1CCCC[C@H]1C[C@@H](C)C[NH3+] 259371722 573206889 /nfs/dbraw/zinc/20/68/89/573206889.db2.gz GPCWGRZEMMILSG-NEPJUHHUSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[N@@H+]1CCCC[C@@H]1C[C@@H](C)C[NH3+] 259371732 573206928 /nfs/dbraw/zinc/20/69/28/573206928.db2.gz GPCWGRZEMMILSG-VXGBXAGGSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C 131848067 573210909 /nfs/dbraw/zinc/21/09/09/573210909.db2.gz MPBKTNWWNGAXIX-SRVKXCTJSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C 131848067 573210925 /nfs/dbraw/zinc/21/09/25/573210925.db2.gz MPBKTNWWNGAXIX-SRVKXCTJSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[N@@H+](C)[C@H]1[C@@H](C)C[C@@H](C)C[C@H]1N 82829554 573215902 /nfs/dbraw/zinc/21/59/02/573215902.db2.gz PCOUXINTMWNQCH-KXNHARMFSA-N 2 1 198.354 2.089 10 0 AEAEMP CCCCCC[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C 40740142 573216127 /nfs/dbraw/zinc/21/61/27/573216127.db2.gz PHKXPPFHLWMQTQ-RYUDHWBXSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[C@@H]1CC[C@H](C[NH+](CC)CC)[NH2+]C1 393510493 573219720 /nfs/dbraw/zinc/21/97/20/573219720.db2.gz OBPDMFAODVXFOO-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[N@@H+](CC(C)C)[C@@H](CC)C(N)=[NH2+] 308519423 573221154 /nfs/dbraw/zinc/22/11/54/573221154.db2.gz WUWOMANZLIZVHV-JTQLQIEISA-N 2 1 199.342 2.069 10 0 AEAEMP CC(C)[NH2+]C1(C[NH3+])C[C@@H](C)C[C@H](C)C1 82830928 573221424 /nfs/dbraw/zinc/22/14/24/573221424.db2.gz KMBRBPXKXVRVCW-QWRGUYRKSA-N 2 1 198.354 2.138 10 0 AEAEMP CCC[C@H](C)[N@H+]1C[C@@H](C)[C@@](C)(C[NH3+])C1 308520734 573228145 /nfs/dbraw/zinc/22/81/45/573228145.db2.gz XRTRNEJRKMILTO-WOPDTQHZSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@H](C)[N@H+]1C[C@H](C)[C@@](C)(C[NH3+])C1 308520733 573228511 /nfs/dbraw/zinc/22/85/11/573228511.db2.gz XRTRNEJRKMILTO-SRVKXCTJSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC(CC)[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749060 573253683 /nfs/dbraw/zinc/25/36/83/573253683.db2.gz FXYVNBAECWVEFP-CLYYMRHHSA-N 2 1 196.338 2.129 10 0 AEAEMP C[C@H]([N@H+](C)CC[C@@H](C)[NH3+])C(C)(C)C 42747238 573253132 /nfs/dbraw/zinc/25/31/32/573253132.db2.gz QHBMPSCAYFVZOJ-ZJUUUORDSA-N 2 1 186.343 2.090 10 0 AEAEMP CC[N@H+](C)C[C@@H]([NH3+])CC1CCCCC1 308530506 573254303 /nfs/dbraw/zinc/25/43/03/573254303.db2.gz KAGJBWLUCPUQLP-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@@H+](C)C[C@@H]([NH3+])CC1CCCCC1 308530506 573254304 /nfs/dbraw/zinc/25/43/04/573254304.db2.gz KAGJBWLUCPUQLP-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC(C)(C)C[NH2+][C@H]1CCC[NH2+]C1 259053879 573254903 /nfs/dbraw/zinc/25/49/03/573254903.db2.gz PYECYXYVIGRZTO-NSHDSACASA-N 2 1 198.354 2.154 10 0 AEAEMP C[C@H]([N@@H+](C)CCCC[NH3+])C(C)(C)C 42739342 573256447 /nfs/dbraw/zinc/25/64/47/573256447.db2.gz ABLXKQBNCXCINS-JTQLQIEISA-N 2 1 186.343 2.092 10 0 AEAEMP CCCC(C)(C)C[NH2+][C@@H]1CCC[NH2+]C1 259053877 573256464 /nfs/dbraw/zinc/25/64/64/573256464.db2.gz PYECYXYVIGRZTO-LLVKDONJSA-N 2 1 198.354 2.154 10 0 AEAEMP CCCC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 50889022 573259782 /nfs/dbraw/zinc/25/97/82/573259782.db2.gz BVFZNABECZYVRM-WOPDTQHZSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCCC[N@H+]1C[C@@H]([NH2+]C)CC1(C)C 259397301 573259785 /nfs/dbraw/zinc/25/97/85/573259785.db2.gz MBKNDZTUQABTIS-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@@H+](C)CC1CCC([NH2+]C)CC1 259058930 573260954 /nfs/dbraw/zinc/26/09/54/573260954.db2.gz QYFJFFYJZORGRI-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[NH2+][C@@H](C[NH3+])C1(C(C)C)CCC1 686135069 573260580 /nfs/dbraw/zinc/26/05/80/573260580.db2.gz BTUBBSLZJXWWNY-NSHDSACASA-N 2 1 198.354 2.138 10 0 AEAEMP CCC[N@@H+](CC)CC[C@H]([NH3+])C(C)C 129210125 573261826 /nfs/dbraw/zinc/26/18/26/573261826.db2.gz NFCXSISZYCWXLE-NSHDSACASA-N 2 1 186.343 2.092 10 0 AEAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CC[C@H]1C 308531461 573263670 /nfs/dbraw/zinc/26/36/70/573263670.db2.gz KYZKLJOZYSDASM-IJLUTSLNSA-N 2 1 198.354 2.090 10 0 AEAEMP CCC[NH2+][C@@H](CCC)C[NH+]1CCCC1 50184404 573266626 /nfs/dbraw/zinc/26/66/26/573266626.db2.gz SPAYBCZSPCJACY-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[C@]1(C[N@@H+]2CC[C@@H]2C)CCC[NH2+]1 308532190 573265231 /nfs/dbraw/zinc/26/52/31/573265231.db2.gz LGNHWJGXDJHRDS-NWDGAFQWSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[C@]1(C[N@H+]2CC[C@@H]2C)CCC[NH2+]1 308532190 573265234 /nfs/dbraw/zinc/26/52/34/573265234.db2.gz LGNHWJGXDJHRDS-NWDGAFQWSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[NH2+][C@H](CCC)C[NH+]1CCCC1 50184405 573266861 /nfs/dbraw/zinc/26/68/61/573266861.db2.gz SPAYBCZSPCJACY-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCCC[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40750340 573269725 /nfs/dbraw/zinc/26/97/25/573269725.db2.gz HYQFENNVLKLENE-YOGCLGLASA-N 2 1 196.338 2.131 10 0 AEAEMP CCCC[N@H+](C)C[C@H](CC)[NH2+]CC 50166550 573270573 /nfs/dbraw/zinc/27/05/73/573270573.db2.gz AGLCOUOXPXDBBB-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCCC[N@@H+](C)C[C@H](CC)[NH2+]CC 50166550 573270577 /nfs/dbraw/zinc/27/05/77/573270577.db2.gz AGLCOUOXPXDBBB-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[NH2+][C@@H](CC)C[N@H+](C)CC1CC1 50179415 573274961 /nfs/dbraw/zinc/27/49/61/573274961.db2.gz RYKNKKWBTVQWSW-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+][C@@H](CC)C[N@@H+](C)CC1CC1 50179415 573274966 /nfs/dbraw/zinc/27/49/66/573274966.db2.gz RYKNKKWBTVQWSW-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](CNC)[N@@H+]1CCC(C)(C)C1 213145106 573275225 /nfs/dbraw/zinc/27/52/25/573275225.db2.gz SMOINAKBPZWJQG-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@H+](C)C[C@@H](CCC)[NH2+]C 50184604 573279029 /nfs/dbraw/zinc/27/90/29/573279029.db2.gz RPNHUSXCHGJIQV-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCCC[N@@H+](C)C[C@@H](CCC)[NH2+]C 50184604 573279033 /nfs/dbraw/zinc/27/90/33/573279033.db2.gz RPNHUSXCHGJIQV-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CC(C)[N@H+]1CCC(C)(C)[C@@H](CC[NH3+])C1 259401559 573280038 /nfs/dbraw/zinc/28/00/38/573280038.db2.gz XSDYVLNOXWIZHE-NSHDSACASA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[C@@](C[NH3+])([NH2+][C@@H](C)CC)C1CC1 308537936 573281487 /nfs/dbraw/zinc/28/14/87/573281487.db2.gz LUVLEZBRHWWTRY-JQWIXIFHSA-N 2 1 198.354 2.282 10 0 AEAEMP CCCC[N@H+](C)C[C@H](CCC)[NH2+]C 50184605 573281465 /nfs/dbraw/zinc/28/14/65/573281465.db2.gz RPNHUSXCHGJIQV-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCCC[N@@H+](C)C[C@H](CCC)[NH2+]C 50184605 573281471 /nfs/dbraw/zinc/28/14/71/573281471.db2.gz RPNHUSXCHGJIQV-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@@](C[NH3+])([NH2+][C@H](C)CC)C1CC1 308537938 573282619 /nfs/dbraw/zinc/28/26/19/573282619.db2.gz LUVLEZBRHWWTRY-PWSUYJOCSA-N 2 1 198.354 2.282 10 0 AEAEMP CCC[C@](C[NH3+])([NH2+][C@H](C)CC)C1CC1 308537940 573282703 /nfs/dbraw/zinc/28/27/03/573282703.db2.gz LUVLEZBRHWWTRY-ZYHUDNBSSA-N 2 1 198.354 2.282 10 0 AEAEMP CC(C)(C[NH2+]C(C)(C)C)C[NH+]1CCC1 308533384 573283332 /nfs/dbraw/zinc/28/33/32/573283332.db2.gz LMASUVJPGKHVNO-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@@H+](C)CC1(C[NH2+]C)CCC1 258621054 573285964 /nfs/dbraw/zinc/28/59/64/573285964.db2.gz JONJYNBPORSMOA-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC[C@H]1CCCC[N@H+]1C/C=C\C[NH3+] 308342519 573299615 /nfs/dbraw/zinc/29/96/15/573299615.db2.gz IYOPQOLXBDXJAU-RNZFLTOJSA-N 2 1 196.338 2.156 10 0 AEAEMP CC[C@H](C)[C@@H]1C[N@H+](C(C)C)CCC[NH2+]1 82941175 573299897 /nfs/dbraw/zinc/29/98/97/573299897.db2.gz HSYIJBRJSNJJHM-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP 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RPLHAIKAWXNQSP-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@H+]1C[C@@](C)(CC)NCC[C@@H]1C 82943611 573310481 /nfs/dbraw/zinc/31/04/81/573310481.db2.gz YNJHHQHBHSDHKR-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H](C)C[N@H+]1C[C@H](C)NCC[C@@H]1C 82942601 573310546 /nfs/dbraw/zinc/31/05/46/573310546.db2.gz BEEDRJMVHBQZAW-SRVKXCTJSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 82941777 573310556 /nfs/dbraw/zinc/31/05/56/573310556.db2.gz MVHHKZCDTVNZEK-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)C[N@H+]1CC(C)(C)NCC[C@@H]1C 82942973 573310944 /nfs/dbraw/zinc/31/09/44/573310944.db2.gz FSDYNLNDDWWDNV-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@H+]1CCC[NH2+][C@@H](C(C)(C)C)C1 82941779 573311371 /nfs/dbraw/zinc/31/13/71/573311371.db2.gz MVHHKZCDTVNZEK-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1(C)C 259415239 573311646 /nfs/dbraw/zinc/31/16/46/573311646.db2.gz NBQNVGDNWNMIKH-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP 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573318149 /nfs/dbraw/zinc/31/81/49/573318149.db2.gz SMXQZWLPGOHJGQ-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC1(C[NH2+][C@](C)(C[NH3+])C(C)C)CC1 308551403 573318650 /nfs/dbraw/zinc/31/86/50/573318650.db2.gz SCNIYLGMGNZHBW-LLVKDONJSA-N 2 1 198.354 2.140 10 0 AEAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1CC(C)(C)C 238350716 573318928 /nfs/dbraw/zinc/31/89/28/573318928.db2.gz HTVUDXAEHFCSPV-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP C[N@H+]1CC[C@H]([NH2+]C(C)(C)C)CC1(C)C 106876331 573320964 /nfs/dbraw/zinc/32/09/64/573320964.db2.gz KWOMVCBAPLKOFV-JTQLQIEISA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)CC[N@H+]1CC[C@H]([NH3+])CC1(C)C 106876249 573321225 /nfs/dbraw/zinc/32/12/25/573321225.db2.gz QBPLJCPHCKXFQL-NSHDSACASA-N 2 1 198.354 2.234 10 0 AEAEMP C[NH2+][C@H]1C[N@H+](C(C)(C)C)CCC1(C)C 259415814 573321772 /nfs/dbraw/zinc/32/17/72/573321772.db2.gz YZRDULRHDPOPSS-JTQLQIEISA-N 2 1 198.354 2.105 10 0 AEAEMP C[NH2+][C@@H]1C[N@H+](C(C)(C)C)CCC1(C)C 259415817 573322226 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AEAEMP C[N@H+]1CCCC[C@H]1C1([NH3+])CCCCC1 258041654 573492553 /nfs/dbraw/zinc/49/25/53/573492553.db2.gz OLELRCPMNNCOJE-NSHDSACASA-N 2 1 196.338 2.132 10 0 AEAEMP CC[N@@H+]1CC=C(CC[C@@H](C)[NH2+]C)CC1 258041727 573492629 /nfs/dbraw/zinc/49/26/29/573492629.db2.gz KSRUDISAWFXCEJ-LLVKDONJSA-N 2 1 196.338 2.027 10 0 AEAEMP CC[N@@H+]1CC=C(CC[C@H](C)[NH2+]C)CC1 258041729 573493373 /nfs/dbraw/zinc/49/33/73/573493373.db2.gz KSRUDISAWFXCEJ-NSHDSACASA-N 2 1 196.338 2.027 10 0 AEAEMP C/C=C\CC[NH2+][C@H](C[NH3+])C(CC)CC 308393637 573496654 /nfs/dbraw/zinc/49/66/54/573496654.db2.gz SJHBDVROEZUUSJ-DJFZKKHWSA-N 2 1 198.354 2.306 10 0 AEAEMP C/C=C\CC[NH2+][C@H](C[NH3+])[C@H](C)CCC 308393495 573496962 /nfs/dbraw/zinc/49/69/62/573496962.db2.gz RSSVNNPLWOCAEZ-CZVUKNJHSA-N 2 1 198.354 2.306 10 0 AEAEMP C/C=C\CC[NH2+][C@H](C[NH3+])[C@@H](C)CCC 308393497 573497238 /nfs/dbraw/zinc/49/72/38/573497238.db2.gz RSSVNNPLWOCAEZ-XEGQIGPUSA-N 2 1 198.354 2.306 10 0 AEAEMP CC[N@@H+](CCC[NH3+])CC1(CC)CCC1 308607381 573498159 /nfs/dbraw/zinc/49/81/59/573498159.db2.gz JNGUDMXDCFEXJO-UHFFFAOYSA-N 2 1 198.354 2.237 10 0 AEAEMP C/C=C\CC[NH2+][C@@H](C[NH3+])C(CC)CC 308393639 573497912 /nfs/dbraw/zinc/49/79/12/573497912.db2.gz SJHBDVROEZUUSJ-KMSCOEIWSA-N 2 1 198.354 2.306 10 0 AEAEMP C[C@H]1CCC[C@@](C[NH3+])([NH2+]C2CC2)CC1 83428289 573501469 /nfs/dbraw/zinc/50/14/69/573501469.db2.gz YYJAELHXRKXQEX-CMPLNLGQSA-N 2 1 196.338 2.036 10 0 AEAEMP CC(C)[NH2+][C@]1(C[NH3+])CCC[C@@H](C)CC1 83428284 573501664 /nfs/dbraw/zinc/50/16/64/573501664.db2.gz RCTJRRNLAPFPKT-VXGBXAGGSA-N 2 1 198.354 2.282 10 0 AEAEMP C[NH2+][C@]1(C[NH3+])CCC[C@@H](C(C)C)CC1 83437702 573503745 /nfs/dbraw/zinc/50/37/45/573503745.db2.gz NZWBJYNPKNOBMN-VXGBXAGGSA-N 2 1 198.354 2.140 10 0 AEAEMP C[NH2+][C@]1(C[NH3+])CCC[C@H](C(C)C)CC1 83437703 573504118 /nfs/dbraw/zinc/50/41/18/573504118.db2.gz NZWBJYNPKNOBMN-NWDGAFQWSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[N@H+]1CCCC[C@@H]1C/C=C\CC[NH3+] 258049068 573504213 /nfs/dbraw/zinc/50/42/13/573504213.db2.gz CYRVCHDWAODDQX-MVZIDQBPSA-N 2 1 196.338 2.156 10 0 AEAEMP C[NH2+][C@@]1(C[NH3+])CCC[C@@H](C(C)C)CC1 83437704 573507535 /nfs/dbraw/zinc/50/75/35/573507535.db2.gz NZWBJYNPKNOBMN-NEPJUHHUSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[NH2+][C@@]1(C[NH3+])CCCC(C)(C)CC1 83436023 573507639 /nfs/dbraw/zinc/50/76/39/573507639.db2.gz RSVBPHTWQLBFER-LBPRGKRZSA-N 2 1 198.354 2.284 10 0 AEAEMP CCCCC[N@H+]1CCC[C@H]1C[C@H](C)[NH3+] 308602019 573509832 /nfs/dbraw/zinc/50/98/32/573509832.db2.gz VDMPLWIFMQYYCE-RYUDHWBXSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[C@H](CC[NH3+])[N@H+]1CCC[C@H](C)[C@@H]1C 50563687 573509999 /nfs/dbraw/zinc/50/99/99/573509999.db2.gz FQSQIKKWQFXVSW-SDDRHHMPSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCCC[N@H+]1CCC[C@@H]1C[C@@H](C)[NH3+] 308602023 573511341 /nfs/dbraw/zinc/51/13/41/573511341.db2.gz VDMPLWIFMQYYCE-VXGBXAGGSA-N 2 1 198.354 2.378 10 0 AEAEMP Cc1[nH]c([C@@H](C)CC[NH3+])[nH+]c1C(C)C 258500238 573513754 /nfs/dbraw/zinc/51/37/54/573513754.db2.gz DRVZOYHYKBJYNQ-QMMMGPOBSA-N 2 1 195.310 2.294 10 0 AEAEMP CCCCC[N@H+]1CCC[C@@H]1C[C@H](C)[NH3+] 308602013 573513320 /nfs/dbraw/zinc/51/33/20/573513320.db2.gz VDMPLWIFMQYYCE-NWDGAFQWSA-N 2 1 198.354 2.378 10 0 AEAEMP C[N@@H+]([C@@H]1CC[NH2+]C(C)(C)C1)C(C)(C)C 258730593 573513401 /nfs/dbraw/zinc/51/34/01/573513401.db2.gz HDJBNAGPQPXMSN-SNVBAGLBSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[NH+](CC)CC(C)(C)[NH2+]CC1CC1 308609894 573513435 /nfs/dbraw/zinc/51/34/35/573513435.db2.gz UJFACXDCJCKVCO-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP C[C@H]1CCC[N@@H+](CCCCC[NH3+])[C@@H]1C 50563651 573513454 /nfs/dbraw/zinc/51/34/54/573513454.db2.gz UOXYBPDHNJPATI-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP Cc1[nH+]c([C@@H](C)CC[NH3+])[nH]c1C(C)C 258500238 573513759 /nfs/dbraw/zinc/51/37/59/573513759.db2.gz DRVZOYHYKBJYNQ-QMMMGPOBSA-N 2 1 195.310 2.294 10 0 AEAEMP Cc1[nH]c([C@H](C)CC[NH3+])[nH+]c1C(C)C 258500235 573513684 /nfs/dbraw/zinc/51/36/84/573513684.db2.gz DRVZOYHYKBJYNQ-MRVPVSSYSA-N 2 1 195.310 2.294 10 0 AEAEMP Cc1[nH+]c([C@H](C)CC[NH3+])[nH]c1C(C)C 258500235 573513691 /nfs/dbraw/zinc/51/36/91/573513691.db2.gz DRVZOYHYKBJYNQ-MRVPVSSYSA-N 2 1 195.310 2.294 10 0 AEAEMP CCC[NH2+]CC[N@H+]1CCC[C@@H](C)[C@@H]1C 50564641 573516711 /nfs/dbraw/zinc/51/67/11/573516711.db2.gz KVHFTXLHDGLNEP-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H]([NH2+]C)C1 86618989 573516310 /nfs/dbraw/zinc/51/63/10/573516310.db2.gz POKOKGDJZHPUTN-QJPTWQEYSA-N 2 1 196.338 2.001 10 0 AEAEMP C[NH2+][C@H]1CC[C@H]([N@H+]2CCCC2(C)C)C1 86619446 573516561 /nfs/dbraw/zinc/51/65/61/573516561.db2.gz RVOVEADAMHRTAG-QWRGUYRKSA-N 2 1 196.338 2.001 10 0 AEAEMP C[N@@H+](C1CCC1)[C@@H]1CC[NH2+]C(C)(C)C1 258733489 573516631 /nfs/dbraw/zinc/51/66/31/573516631.db2.gz HGMROSFEHGLANJ-LLVKDONJSA-N 2 1 196.338 2.001 10 0 AEAEMP C[NH2+][C@@H]1CC[C@@H]([N@@H+](C)C2CCCC2)C1 86618723 573516691 /nfs/dbraw/zinc/51/66/91/573516691.db2.gz FRASXKLBFKNZSC-ZYHUDNBSSA-N 2 1 196.338 2.001 10 0 AEAEMP CCC[NH2+]CC[N@@H+]1CCC[C@@H](C)[C@@H]1C 50564641 573516704 /nfs/dbraw/zinc/51/67/04/573516704.db2.gz KVHFTXLHDGLNEP-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP C[NH2+][C@@H]1CC[C@H]([N@@H+](C)C2CCCC2)C1 86618721 573516800 /nfs/dbraw/zinc/51/68/00/573516800.db2.gz FRASXKLBFKNZSC-PWSUYJOCSA-N 2 1 196.338 2.001 10 0 AEAEMP CC(C)CC[N@@H+](C)C(C)(C)CC[NH3+] 258735048 573516808 /nfs/dbraw/zinc/51/68/08/573516808.db2.gz FKGPFYRPXJJMEU-UHFFFAOYSA-N 2 1 186.343 2.092 10 0 AEAEMP C[N@@H+](C1CCC1)[C@H]1CC[NH2+]C(C)(C)C1 258733490 573517810 /nfs/dbraw/zinc/51/78/10/573517810.db2.gz HGMROSFEHGLANJ-NSHDSACASA-N 2 1 196.338 2.001 10 0 AEAEMP CC[NH2+][C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2C)C1 86618985 573518593 /nfs/dbraw/zinc/51/85/93/573518593.db2.gz XKEIQRURFSYJIV-TUAOUCFPSA-N 2 1 196.338 2.001 10 0 AEAEMP C[NH2+][C@H]1CC[C@@H]([N@H+]2CCCC2(C)C)C1 86619445 573519839 /nfs/dbraw/zinc/51/98/39/573519839.db2.gz RVOVEADAMHRTAG-WDEREUQCSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C 259485738 573520990 /nfs/dbraw/zinc/52/09/90/573520990.db2.gz KUZKUUIAYUHWGV-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+][C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2C)C1 86618987 573523139 /nfs/dbraw/zinc/52/31/39/573523139.db2.gz XKEIQRURFSYJIV-QJPTWQEYSA-N 2 1 196.338 2.001 10 0 AEAEMP CCc1c[nH+]cn1[C@@H](C)CCCC[NH3+] 308612255 573523311 /nfs/dbraw/zinc/52/33/11/573523311.db2.gz NWTZSYIYDJMHLL-JTQLQIEISA-N 2 1 195.310 2.136 10 0 AEAEMP CC(C)c1[nH+]ccn1[C@@H]1CC[C@@H]([NH3+])C1 86619884 573524441 /nfs/dbraw/zinc/52/44/41/573524441.db2.gz RWFTXQUULQOCEE-NXEZZACHSA-N 2 1 193.294 2.059 10 0 AEAEMP CCc1c[nH+]cn1[C@H](C)CCCC[NH3+] 308612261 573525284 /nfs/dbraw/zinc/52/52/84/573525284.db2.gz NWTZSYIYDJMHLL-SNVBAGLBSA-N 2 1 195.310 2.136 10 0 AEAEMP CC(C)c1[nH+]ccn1[C@H]1CC[C@H]([NH3+])C1 86619883 573525318 /nfs/dbraw/zinc/52/53/18/573525318.db2.gz RWFTXQUULQOCEE-UWVGGRQHSA-N 2 1 193.294 2.059 10 0 AEAEMP CC[NH2+]C[C@H](C1CCCCC1)[NH+](C)C 259485737 573525568 /nfs/dbraw/zinc/52/55/68/573525568.db2.gz KUZKUUIAYUHWGV-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[N@H+]1CCC[C@H](C(C)(C)C[NH3+])C1 259490793 573530447 /nfs/dbraw/zinc/53/04/47/573530447.db2.gz PNKRCHGCHVZKEP-NSHDSACASA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[N@H+]1CCC[C@@H](C(C)(C)C[NH3+])C1 259490790 573529923 /nfs/dbraw/zinc/52/99/23/573529923.db2.gz PNKRCHGCHVZKEP-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[N@@H+](CCC[C@@H](C)[NH3+])C(C)(C)C 394343766 573533038 /nfs/dbraw/zinc/53/30/38/573533038.db2.gz IOVOGBDGOQSMRB-SNVBAGLBSA-N 2 1 186.343 2.234 10 0 AEAEMP CC[N@H+]1CCCC[C@@H]1CC(C)(C)C[NH3+] 259494873 573533730 /nfs/dbraw/zinc/53/37/30/573533730.db2.gz QBPYUBAQPQDKTA-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@H+]1CCCC[C@H]1CC(C)(C)C[NH3+] 259494875 573534644 /nfs/dbraw/zinc/53/46/44/573534644.db2.gz QBPYUBAQPQDKTA-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP C/C=C/C[N@H+](CCC)CC(C)(C)C[NH3+] 86640321 573539799 /nfs/dbraw/zinc/53/97/99/573539799.db2.gz LGVQNEWNPLTQIH-FNORWQNLSA-N 2 1 198.354 2.259 10 0 AEAEMP CC(C)[N@H+]1CCCC[C@@H]1/C=C\CC[NH3+] 258056388 573540688 /nfs/dbraw/zinc/54/06/88/573540688.db2.gz DJYQNKXXCDFASL-MIBUCLJRSA-N 2 1 196.338 2.154 10 0 AEAEMP CC1(C)C[C@H]([NH3+])CC[N@H+]1C1CCCC1 259501529 573541273 /nfs/dbraw/zinc/54/12/73/573541273.db2.gz SYWQTHPGBZZJIB-SNVBAGLBSA-N 2 1 196.338 2.131 10 0 AEAEMP CC[C@@H](C)[N@H+]1C[C@@H](CC[NH3+])CC1(C)C 259499974 573542876 /nfs/dbraw/zinc/54/28/76/573542876.db2.gz SXVKJQMRDYNOTL-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)C[N@@H+](C)[C@@H]1CC[NH2+]C(C)(C)C1 258768215 573543450 /nfs/dbraw/zinc/54/34/50/573543450.db2.gz JVCZLPMKHWMUBV-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H](C)[N@H+]1C[C@@H](CC[NH3+])CC1(C)C 259499977 573545442 /nfs/dbraw/zinc/54/54/42/573545442.db2.gz SXVKJQMRDYNOTL-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[N@H+]1CCC[C@@H](C[NH2+]C)C1(C)C 259503297 573547280 /nfs/dbraw/zinc/54/72/80/573547280.db2.gz TXXPMUMXDRWSPD-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP C[C@@H](C[NH3+])c1c[nH+]cn1C1CCCC1 107357792 573547622 /nfs/dbraw/zinc/54/76/22/573547622.db2.gz RAPPVCBVAVSFNH-VIFPVBQESA-N 2 1 193.294 2.060 10 0 AEAEMP C[NH2+]C1CCC([N@H+]2CCC[C@@H]2C)CC1 86658271 573547813 /nfs/dbraw/zinc/54/78/13/573547813.db2.gz AYVPUUYNKJPHIW-UNXYVOJBSA-N 2 1 196.338 2.001 10 0 AEAEMP CCC[N@H+]1CCC[C@H](C[NH2+]C)C1(C)C 259503294 573551405 /nfs/dbraw/zinc/55/14/05/573551405.db2.gz TXXPMUMXDRWSPD-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH+](CC)C(C)(C)C[NH2+]C1CCC1 308628110 573552921 /nfs/dbraw/zinc/55/29/21/573552921.db2.gz XRTQWELWWUUVOM-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)[NH2+]C(C)(C)C[NH+]1CCCCC1 308627765 573553370 /nfs/dbraw/zinc/55/33/70/573553370.db2.gz IOLLOUCHFNADSQ-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC(CC)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 224821154 573563489 /nfs/dbraw/zinc/56/34/89/573563489.db2.gz PRNLPMJWLDFSDF-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCCC1 308624984 573566142 /nfs/dbraw/zinc/56/61/42/573566142.db2.gz VNWVTNCGODTEFJ-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H]1CC[N@H+](CC[NH2+]C(C)C)[C@H]1C 308624562 573566277 /nfs/dbraw/zinc/56/62/77/573566277.db2.gz VLQZDWIOKSDDOD-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H]1CC[N@@H+](CC[NH2+]C(C)C)[C@H]1C 308624562 573566284 /nfs/dbraw/zinc/56/62/84/573566284.db2.gz VLQZDWIOKSDDOD-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H]1CC[N@H+](CC[NH2+]C(C)C)[C@@H]1C 308624563 573566487 /nfs/dbraw/zinc/56/64/87/573566487.db2.gz VLQZDWIOKSDDOD-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H]1CC[N@@H+](CC[NH2+]C(C)C)[C@@H]1C 308624563 573566492 /nfs/dbraw/zinc/56/64/92/573566492.db2.gz VLQZDWIOKSDDOD-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@H]1C 308633474 573566599 /nfs/dbraw/zinc/56/65/99/573566599.db2.gz ZZSPMWYYKAXFPG-UTUOFQBUSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+]C1CCC([N@H+]2CC[C@@H]2C)CC1 86681037 573566721 /nfs/dbraw/zinc/56/67/21/573566721.db2.gz AMHLYJWINDLYSE-UNXYVOJBSA-N 2 1 196.338 2.001 10 0 AEAEMP CC[C@H]1CC[N@H+](CC[NH2+]C(C)C)[C@@H]1C 308624559 573569250 /nfs/dbraw/zinc/56/92/50/573569250.db2.gz VLQZDWIOKSDDOD-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@H]1CC[N@@H+](CC[NH2+]C(C)C)[C@@H]1C 308624559 573569256 /nfs/dbraw/zinc/56/92/56/573569256.db2.gz VLQZDWIOKSDDOD-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[C@@H](C[NH3+])[NH2+]CC[C@H](C)CC 393537201 573569399 /nfs/dbraw/zinc/56/93/99/573569399.db2.gz IZXXXERVNUHAHM-MNOVXSKESA-N 2 1 186.343 2.140 10 0 AEAEMP CC[C@H](C)[NH2+]CC(C)(C)[NH+]1CCCC1 308624985 573570525 /nfs/dbraw/zinc/57/05/25/573570525.db2.gz VNWVTNCGODTEFJ-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C[NH3+])[NH2+]CC[C@@H](C)CC 393537202 573570811 /nfs/dbraw/zinc/57/08/11/573570811.db2.gz IZXXXERVNUHAHM-QWRGUYRKSA-N 2 1 186.343 2.140 10 0 AEAEMP CC[C@H](C)[C@H]1C[N@@H+](CC)[C@@H](C)CC[NH2+]1 224355079 573571327 /nfs/dbraw/zinc/57/13/27/573571327.db2.gz SVAVMMCJSOOBME-SDDRHHMPSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@@H+](C)CCC1([NH2+]C)CCCCC1 83632734 573574421 /nfs/dbraw/zinc/57/44/21/573574421.db2.gz XWUAKAVRIARGPL-UHFFFAOYSA-N 2 1 198.354 2.251 10 0 AEAEMP C[C@@H]1CC[N@@H+](CC(C)(C)C(C)(C)[NH3+])C1 83645662 573578969 /nfs/dbraw/zinc/57/89/69/573578969.db2.gz XGWJQUASSKRAKY-SNVBAGLBSA-N 2 1 198.354 2.092 10 0 AEAEMP C[N@@H+](C1CCCCC1)C(C)(C)CC[NH3+] 258794550 573578980 /nfs/dbraw/zinc/57/89/80/573578980.db2.gz JNZGZPIRCGZKAE-UHFFFAOYSA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@H]1CCC[N@H+]1CC(C)(C)C(C)(C)[NH3+] 83645615 573579213 /nfs/dbraw/zinc/57/92/13/573579213.db2.gz BRNRNGHNCMIWNB-JTQLQIEISA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[N@@H+](C)CCCC(C)(C)C[NH3+] 83640718 573580378 /nfs/dbraw/zinc/58/03/78/573580378.db2.gz WBQBETNQYSCDSG-UHFFFAOYSA-N 2 1 186.343 2.092 10 0 AEAEMP C[C@@H]1CCC[N@H+]1CC(C)(C)C(C)(C)[NH3+] 83645613 573580861 /nfs/dbraw/zinc/58/08/61/573580861.db2.gz BRNRNGHNCMIWNB-SNVBAGLBSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@H]1CC[N@@H+](CC(C)(C)C(C)(C)[NH3+])C1 83645665 573581452 /nfs/dbraw/zinc/58/14/52/573581452.db2.gz XGWJQUASSKRAKY-JTQLQIEISA-N 2 1 198.354 2.092 10 0 AEAEMP CCCc1[nH]c([C@@H](C)CC[NH3+])[nH+]c1C 258800364 573581635 /nfs/dbraw/zinc/58/16/35/573581635.db2.gz WRPCXQXCSCEAAG-QMMMGPOBSA-N 2 1 195.310 2.123 10 0 AEAEMP C[NH2+]CC/C=C\C[C@H]1CCCC[N@H+]1C 258065954 573583466 /nfs/dbraw/zinc/58/34/66/573583466.db2.gz FAGCXECHLGZVCA-MVZIDQBPSA-N 2 1 196.338 2.027 10 0 AEAEMP C[NH2+]CC/C=C\C[C@@H]1CCCC[N@H+]1C 258065957 573583495 /nfs/dbraw/zinc/58/34/95/573583495.db2.gz FAGCXECHLGZVCA-VSQXVHSFSA-N 2 1 196.338 2.027 10 0 AEAEMP C[NH2+]CC[NH2+]CC(C)(C)C1CCCC1 258801384 573582268 /nfs/dbraw/zinc/58/22/68/573582268.db2.gz RIAJJXFOCNKPRR-UHFFFAOYSA-N 2 1 198.354 2.012 10 0 AEAEMP C[NH2+]CCCC[N@@H+](C)CCC1CCC1 258802793 573583020 /nfs/dbraw/zinc/58/30/20/573583020.db2.gz DAPUPZLFLQDXFZ-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CC(C)CCC[N@@H+](C)CC1(C[NH3+])CC1 258805524 573586658 /nfs/dbraw/zinc/58/66/58/573586658.db2.gz AWIYAIHNTIJSMT-UHFFFAOYSA-N 2 1 198.354 2.093 10 0 AEAEMP C[C@H](CC[NH3+])[N@H+]1CCCC(C)(C)CC1 83680146 573589561 /nfs/dbraw/zinc/58/95/61/573589561.db2.gz VYLAZHXAUCWMFU-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@@H](C[NH3+])C[N@H+]1CCCC(C)(C)CC1 83680126 573589656 /nfs/dbraw/zinc/58/96/56/573589656.db2.gz LZBOQDWWUVNLEX-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)C[N@H+]1CCC[C@@H](C[NH3+])C1(C)C 259520966 573590195 /nfs/dbraw/zinc/59/01/95/573590195.db2.gz VGXUYAFQCAGQHR-NSHDSACASA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H](CC[NH3+])[N@H+]1CCCC(C)(C)CC1 83680145 573591282 /nfs/dbraw/zinc/59/12/82/573591282.db2.gz VYLAZHXAUCWMFU-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+][C@@H]1CC[N@@H+](CC(C)C)C(C)(C)C1 259520999 573591805 /nfs/dbraw/zinc/59/18/05/573591805.db2.gz VHHXDSQHNHMWLQ-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP C[C@H](C[NH3+])C[N@H+]1CCCC(C)(C)CC1 83680129 573593833 /nfs/dbraw/zinc/59/38/33/573593833.db2.gz LZBOQDWWUVNLEX-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CCCCC[N@H+]1CC[C@@H](C[NH2+]C)[C@@H]1C 259136819 573595907 /nfs/dbraw/zinc/59/59/07/573595907.db2.gz DLLYUDBSKDSCMH-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCC[N@H+]1CC[C@H](C[NH2+]C)[C@H]1C 259136821 573596467 /nfs/dbraw/zinc/59/64/67/573596467.db2.gz DLLYUDBSKDSCMH-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCC[N@H+]1C[C@@H](C[NH3+])CC1(C)C 259523007 573597730 /nfs/dbraw/zinc/59/77/30/573597730.db2.gz VMDCXNUGVZBYDF-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCCC[N@H+]1C[C@H](C[NH3+])CC1(C)C 259523011 573598996 /nfs/dbraw/zinc/59/89/96/573598996.db2.gz VMDCXNUGVZBYDF-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@@H](CCCC[NH3+])[N@H+]1CCCC1(C)C 308646521 573599105 /nfs/dbraw/zinc/59/91/05/573599105.db2.gz HQTGHPRJAJFSSG-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CCC(C)(C)[C@@H]([NH3+])C[N@H+](C)C1CCC1 308648499 573602675 /nfs/dbraw/zinc/60/26/75/573602675.db2.gz IPRHROBDXTVXPA-NSHDSACASA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)[C@@H]([NH3+])C[N@@H+](C)C1CCC1 308648499 573602683 /nfs/dbraw/zinc/60/26/83/573602683.db2.gz IPRHROBDXTVXPA-NSHDSACASA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@H]1CCC[N@H+]([C@H](C)CCCC[NH3+])C1 308647232 573603216 /nfs/dbraw/zinc/60/32/16/573603216.db2.gz HZDJSMQLMYCMJU-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)[N@H+]1C[C@@H](CC[NH3+])CCC1(C)C 259525091 573604121 /nfs/dbraw/zinc/60/41/21/573604121.db2.gz VOEDQXSFBNFQEZ-LLVKDONJSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)[C@H]([NH3+])C[N@H+](C)C1CCC1 308648498 573606067 /nfs/dbraw/zinc/60/60/67/573606067.db2.gz IPRHROBDXTVXPA-LLVKDONJSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)[C@H]([NH3+])C[N@@H+](C)C1CCC1 308648498 573606074 /nfs/dbraw/zinc/60/60/74/573606074.db2.gz IPRHROBDXTVXPA-LLVKDONJSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCc1c[nH]c(CCC(C)(C)[NH3+])[nH+]1 259129373 573608526 /nfs/dbraw/zinc/60/85/26/573608526.db2.gz QTEKJYQGIXUQBF-UHFFFAOYSA-N 2 1 195.310 2.032 10 0 AEAEMP CC(C)c1c[nH]c(CC(C)(C)C[NH3+])[nH+]1 259129176 573612484 /nfs/dbraw/zinc/61/24/84/573612484.db2.gz QRLJMNUMAXECFU-UHFFFAOYSA-N 2 1 195.310 2.061 10 0 AEAEMP CC(C)C[N@H+]1CCC[NH2+]C(C)(C)CC1 259530503 573617608 /nfs/dbraw/zinc/61/76/08/573617608.db2.gz VWJWHGBRHXUHNB-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[C@H](C)[N@@H+](C)C1CC[NH2+]CC1 308644883 573620302 /nfs/dbraw/zinc/62/03/02/573620302.db2.gz GMTVCJLBULHXIM-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP C/C=C\C[N@H+]1CCC[NH2+][C@](C)(CC)C1 308407314 573618065 /nfs/dbraw/zinc/61/80/65/573618065.db2.gz ULOYCWWADTYYCL-TXNVCOODSA-N 2 1 196.338 2.027 10 0 AEAEMP C[NH2+]C[C@H]1C[N@@H+](C(C)(C)C)C(C)(C)C1 259528568 573618675 /nfs/dbraw/zinc/61/86/75/573618675.db2.gz VTYTXVJVZAINGA-JTQLQIEISA-N 2 1 198.354 2.105 10 0 AEAEMP CCC(C)(C)[C@H]([NH3+])C[N@H+](C)CC1CC1 308643272 573619381 /nfs/dbraw/zinc/61/93/81/573619381.db2.gz FFCQEJJQGIAWNN-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC(C)(C)[C@H]([NH3+])C[N@@H+](C)CC1CC1 308643272 573619390 /nfs/dbraw/zinc/61/93/90/573619390.db2.gz FFCQEJJQGIAWNN-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP C[NH2+]C[C@@H]1C[N@@H+](C(C)(C)C)C(C)(C)C1 259528572 573619764 /nfs/dbraw/zinc/61/97/64/573619764.db2.gz VTYTXVJVZAINGA-SNVBAGLBSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC1CCC1 308643956 573620876 /nfs/dbraw/zinc/62/08/76/573620876.db2.gz FWFGJKZSNLUFEZ-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC1CCC1 308643956 573620887 /nfs/dbraw/zinc/62/08/87/573620887.db2.gz FWFGJKZSNLUFEZ-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP [NH3+]CC1([NH2+]C2CCCCC2)CCCC1 83760251 573621430 /nfs/dbraw/zinc/62/14/30/573621430.db2.gz PNQAPJSBFVUJNE-UHFFFAOYSA-N 2 1 196.338 2.180 10 0 AEAEMP CC(C)(C[NH3+])[NH2+]C1CCCCCC1 83758547 573624011 /nfs/dbraw/zinc/62/40/11/573624011.db2.gz FBHNFTGUIPYYJV-UHFFFAOYSA-N 2 1 184.327 2.036 10 0 AEAEMP C[C@@H]1CC[C@@](C[NH3+])([NH2+]C2CCCC2)C1 83762535 573625171 /nfs/dbraw/zinc/62/51/71/573625171.db2.gz AVLCKWSUKAXXQU-ZYHUDNBSSA-N 2 1 196.338 2.036 10 0 AEAEMP C[C@H]1CCC[C@@]1(C[NH3+])[NH2+]C1CCCC1 83762192 573625191 /nfs/dbraw/zinc/62/51/91/573625191.db2.gz OMWLJONOUHGVRT-JQWIXIFHSA-N 2 1 196.338 2.036 10 0 AEAEMP CC[C@@](C)(C[NH3+])[NH2+]C1CCCCCC1 83758513 573625128 /nfs/dbraw/zinc/62/51/28/573625128.db2.gz SACVAULWOFVDIZ-LBPRGKRZSA-N 2 1 198.354 2.426 10 0 AEAEMP C[C@H]1CCC[C@]1(C[NH3+])[NH2+]C1CCCC1 83762199 573626205 /nfs/dbraw/zinc/62/62/05/573626205.db2.gz OMWLJONOUHGVRT-CMPLNLGQSA-N 2 1 196.338 2.036 10 0 AEAEMP C[C@H]1CC[C@](C[NH3+])([NH2+]C2CCCC2)C1 83762547 573626352 /nfs/dbraw/zinc/62/63/52/573626352.db2.gz AVLCKWSUKAXXQU-JQWIXIFHSA-N 2 1 196.338 2.036 10 0 AEAEMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@H](C)CCCC[NH3+] 308660669 573630592 /nfs/dbraw/zinc/63/05/92/573630592.db2.gz PSDJSQUXEQVBOJ-IJLUTSLNSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H](CCCC[NH3+])[N@@H+](C)C[C@H]1C[C@H]1C 308660668 573630761 /nfs/dbraw/zinc/63/07/61/573630761.db2.gz PSDJSQUXEQVBOJ-GRYCIOLGSA-N 2 1 198.354 2.092 10 0 AEAEMP CC[C@@H](C)C[N@H+]1CCCC[C@@H](C[NH3+])C1 308659948 573631169 /nfs/dbraw/zinc/63/11/69/573631169.db2.gz PEPQUDQRYQOXIS-NEPJUHHUSA-N 2 1 198.354 2.093 10 0 AEAEMP CC(C)CCCC[N@@H+]1CCC[C@H]([NH3+])C1 147800089 573635494 /nfs/dbraw/zinc/63/54/94/573635494.db2.gz UDEDHPIQMCHYAF-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)CCCC[N@H+]1CCC[C@H]([NH3+])C1 147800089 573635501 /nfs/dbraw/zinc/63/55/01/573635501.db2.gz UDEDHPIQMCHYAF-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC[N@H+]1CCC[NH2+]CC(C)(C)C1 259537935 573636903 /nfs/dbraw/zinc/63/69/03/573636903.db2.gz WLXWYUVNLZWRIQ-UHFFFAOYSA-N 2 1 198.354 2.108 10 0 AEAEMP CC(C)C[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 126714357 573642756 /nfs/dbraw/zinc/64/27/56/573642756.db2.gz GQENWUUDWFSBLK-QJPTWQEYSA-N 2 1 198.354 2.090 10 0 AEAEMP C[NH2+]C1(C[N@H+](C)C2CCC2)CCCC1 308651357 573641121 /nfs/dbraw/zinc/64/11/21/573641121.db2.gz KHZVTOMXHMMLBY-UHFFFAOYSA-N 2 1 196.338 2.003 10 0 AEAEMP C[NH2+]C1(C[N@@H+](C)C2CCC2)CCCC1 308651357 573641124 /nfs/dbraw/zinc/64/11/24/573641124.db2.gz KHZVTOMXHMMLBY-UHFFFAOYSA-N 2 1 196.338 2.003 10 0 AEAEMP CCC[NH2+]C[C@@H](C)[N@H+](C)CCC1CC1 308652389 573641454 /nfs/dbraw/zinc/64/14/54/573641454.db2.gz LLZKGXGRFGELJJ-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+]C[C@@H](C)[N@@H+](C)CCC1CC1 308652389 573641457 /nfs/dbraw/zinc/64/14/57/573641457.db2.gz LLZKGXGRFGELJJ-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[N@H+]1CCC[C@@H](C[C@@H](C)C[NH3+])C1 259536898 573641516 /nfs/dbraw/zinc/64/15/16/573641516.db2.gz UYYNJCDVGYZEPX-NEPJUHHUSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[N@H+]1CCC[C@@H](C[C@H](C)C[NH3+])C1 259536900 573641634 /nfs/dbraw/zinc/64/16/34/573641634.db2.gz UYYNJCDVGYZEPX-RYUDHWBXSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[NH2+][C@]1(C[NH3+])CCCCC1(C)C 86846861 573641821 /nfs/dbraw/zinc/64/18/21/573641821.db2.gz VFPWORAJVCKWFV-LBPRGKRZSA-N 2 1 198.354 2.284 10 0 AEAEMP CC(C)[N@H+]1CCC[C@H](C[C@H](C)C[NH3+])C1 259536899 573642126 /nfs/dbraw/zinc/64/21/26/573642126.db2.gz UYYNJCDVGYZEPX-NWDGAFQWSA-N 2 1 198.354 2.092 10 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573790545 /nfs/dbraw/zinc/79/05/45/573790545.db2.gz QKQLCVURQLJDQE-GHMZBOCLSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[NH2+][C@H](C)[C@H](C)[N@H+](C)C1CCC1 127291620 573791108 /nfs/dbraw/zinc/79/11/08/573791108.db2.gz RGSBGTHBDFTNJN-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[NH2+][C@H](C)[C@H](C)[N@@H+](C)C1CCC1 127291620 573791114 /nfs/dbraw/zinc/79/11/14/573791114.db2.gz RGSBGTHBDFTNJN-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[NH2+][C@@H](C)[C@H](C)[N@H+](C)C1CCC1 127291391 573793269 /nfs/dbraw/zinc/79/32/69/573793269.db2.gz RGSBGTHBDFTNJN-QWRGUYRKSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)C1CCC1 127291391 573793280 /nfs/dbraw/zinc/79/32/80/573793280.db2.gz RGSBGTHBDFTNJN-QWRGUYRKSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C1CCC1 127294605 573793052 /nfs/dbraw/zinc/79/30/52/573793052.db2.gz QKQLCVURQLJDQE-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)(C)[N@H+]1C[C@H](CC[NH3+])CC1(C)C 259571197 573801773 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CCC[C@H]([NH3+])[C@H](CC)N(C)C1CCC1 127358519 573813212 /nfs/dbraw/zinc/81/32/12/573813212.db2.gz MVFUDVRXASLOLS-RYUDHWBXSA-N 2 1 198.354 2.377 10 0 AEAEMP CC[NH2+][C@@H](C[N@H+](C)C1CCC1)C(C)C 127353633 573815057 /nfs/dbraw/zinc/81/50/57/573815057.db2.gz LWOCJVXMHGHBRM-LBPRGKRZSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)C1CCC1 127328667 573818218 /nfs/dbraw/zinc/81/82/18/573818218.db2.gz TVJNICPAOMGYGR-RYUDHWBXSA-N 2 1 196.338 2.001 10 0 AEAEMP CCC[N@H+]1CC[C@H](C[NH2+]C)CC1(C)C 259199444 573814658 /nfs/dbraw/zinc/81/46/58/573814658.db2.gz BXLLYPSTVUQPSJ-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C[N@H+](C)C1CCC1)[NH2+]CC 127351800 573814858 /nfs/dbraw/zinc/81/48/58/573814858.db2.gz CZEYTMMMIRWDIA-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C[N@@H+](C)C1CCC1)[NH2+]CC 127351800 573814866 /nfs/dbraw/zinc/81/48/66/573814866.db2.gz CZEYTMMMIRWDIA-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)[N@H+]1CCC[C@@H](C/C=C\C[NH3+])C1 258144707 573814906 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/nfs/dbraw/zinc/96/67/24/573966724.db2.gz UVWJJDBGICUKHC-CXQJBGSLSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@H]1CC[N@H+]([C@@H](CC)C[NH2+]C)C1 127790921 573966860 /nfs/dbraw/zinc/96/68/60/573966860.db2.gz SPKQMGQLYZNXCX-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CC1(C)CC[N@H+](C2CCCC2)CCN1 259252917 573970239 /nfs/dbraw/zinc/97/02/39/573970239.db2.gz MJUCWOXYNGWFDD-UHFFFAOYSA-N 2 1 196.338 2.003 10 0 AEAEMP CC1(C)CCN(C2CCCC2)CC[NH2+]1 259252917 573970242 /nfs/dbraw/zinc/97/02/42/573970242.db2.gz MJUCWOXYNGWFDD-UHFFFAOYSA-N 2 1 196.338 2.003 10 0 AEAEMP CC[C@@H]([NH3+])CC[N@@H+](C)CCC(C)C 127819009 573974572 /nfs/dbraw/zinc/97/45/72/573974572.db2.gz HXZHFBZCNVFZLI-LLVKDONJSA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@@H](C)[N@H+]1CC[C@@H]([NH2+]C)CC1(C)C 259254973 573977389 /nfs/dbraw/zinc/97/73/89/573977389.db2.gz FHPWAXJADZOUJJ-GHMZBOCLSA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C)CC[NH3+] 42562828 573977396 /nfs/dbraw/zinc/97/73/96/573977396.db2.gz SFVJDJLIZHMQRC-WDEREUQCSA-N 2 1 186.343 2.090 10 0 AEAEMP CC(C)C[N@@H+](CCCC(N)=[NH2+])C(C)C 42584178 573977415 /nfs/dbraw/zinc/97/74/15/573977415.db2.gz OWTJSCXHAYLGLV-UHFFFAOYSA-N 2 1 199.342 2.069 10 0 AEAEMP CC(C)C[N@@H+](C(C)C)[C@H]1CCCNC1 42584385 573977429 /nfs/dbraw/zinc/97/74/29/573977429.db2.gz OCOPDFFSBQBNHL-LBPRGKRZSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)C[C@@H](C)[N@@H+](C)CCCC[NH3+] 42562704 573978788 /nfs/dbraw/zinc/97/87/88/573978788.db2.gz KKUVTZLNPPOZJC-LLVKDONJSA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@@H](CC[NH3+])[N@@H+](CC(C)C)C1CC1 42554567 573979108 /nfs/dbraw/zinc/97/91/08/573979108.db2.gz KDTVDLSXXAVLLK-NSHDSACASA-N 2 1 198.354 2.234 10 0 AEAEMP C[N@H+]1CCC[C@H](CC(C)(C)CC[NH3+])C1 259256782 573980457 /nfs/dbraw/zinc/98/04/57/573980457.db2.gz XBKOMJLRQJFTIW-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[C@@](C)(C[NH3+])C[N@@H+](C)C1CCC1 127829827 573980463 /nfs/dbraw/zinc/98/04/63/573980463.db2.gz ZZJKEFZCIGVRKW-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)C[C@@H](C)[N@@H+](C)C1CC[NH2+]CC1 42584337 573980588 /nfs/dbraw/zinc/98/05/88/573980588.db2.gz XEVJNDZSNWVBBS-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCC[N@@H+](CC[C@@H]([NH3+])CC)C1CC1 127826862 573980837 /nfs/dbraw/zinc/98/08/37/573980837.db2.gz WTLBTHLUXSGIHS-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CC(C)C[N@@H+](CCCC[NH3+])C(C)C 42563016 573981598 /nfs/dbraw/zinc/98/15/98/573981598.db2.gz PRKJZNQDUXCRMU-UHFFFAOYSA-N 2 1 186.343 2.092 10 0 AEAEMP CC(C)C[N@@H+](CC[C@H](C)[NH3+])C(C)C 42581489 573982282 /nfs/dbraw/zinc/98/22/82/573982282.db2.gz KGXZCRSLTVIAGR-NSHDSACASA-N 2 1 186.343 2.090 10 0 AEAEMP CC[C@@H](CC[NH3+])[N@@H+](CC1CC1)C(C)C 42563231 573982453 /nfs/dbraw/zinc/98/24/53/573982453.db2.gz DYFUXSGMFKOQKY-LBPRGKRZSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[N@@H+](CCCCC[NH3+])CC1CC1 42563306 573983043 /nfs/dbraw/zinc/98/30/43/573983043.db2.gz KWOFCSJZSQYMJM-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)C[C@H](C)[N@@H+](C)CC[C@@H](C)[NH3+] 42580829 573985809 /nfs/dbraw/zinc/98/58/09/573985809.db2.gz IJSVWIOQQPDXHD-MNOVXSKESA-N 2 1 186.343 2.090 10 0 AEAEMP CCC[N@@H+](CC)CCC[C@H](C)[NH2+]C 45599494 573986958 /nfs/dbraw/zinc/98/69/58/573986958.db2.gz HOAVELWSXAYQQS-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP C[NH2+][C@@H](C)CCC[N@@H+](C)C1CCCC1 45599465 573986926 /nfs/dbraw/zinc/98/69/26/573986926.db2.gz BCPYNJYXEDYART-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H]1CCCC[N@H+]1CCC[C@@H](C)[NH3+] 45599422 573986968 /nfs/dbraw/zinc/98/69/68/573986968.db2.gz JPLHUAJHEBLXJD-VXGBXAGGSA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@H]([NH3+])CCCC[N@@H+](C)[C@@H](C)C1CC1 45600114 573986737 /nfs/dbraw/zinc/98/67/37/573986737.db2.gz LKWRPHSXWFLPRK-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CCc1[nH+]c(C)cn1[C@H](CC)CC[NH3+] 715108783 573986802 /nfs/dbraw/zinc/98/68/02/573986802.db2.gz JHIZVKUICPNMBL-SNVBAGLBSA-N 2 1 195.310 2.054 10 0 AEAEMP CC(C)C[N@@H+](CCC[C@H](C)[NH3+])C1CC1 45602811 573986815 /nfs/dbraw/zinc/98/68/15/573986815.db2.gz KVAQHEZHJLXGED-NSHDSACASA-N 2 1 198.354 2.234 10 0 AEAEMP CCCC[N@@H+](CCC[C@@H](C)[NH3+])C1CC1 45602168 573986981 /nfs/dbraw/zinc/98/69/81/573986981.db2.gz BLLWJMYALGQCCV-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@H]1C[C@@H](C)C[N@@H+](CCC[C@@H](C)[NH3+])C1 45598519 573986854 /nfs/dbraw/zinc/98/68/54/573986854.db2.gz QRPQMBFYQVFBDS-GRYCIOLGSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1CCCC[N@@H+]1CCCC[C@@H](C)[NH3+] 45598633 573988074 /nfs/dbraw/zinc/98/80/74/573988074.db2.gz GGXFKLACVLEKBO-NEPJUHHUSA-N 2 1 198.354 2.378 10 0 AEAEMP C[NH2+][C@@H](C)CCC[N@@H+](C)[C@@H](C)C1CC1 45600140 573988701 /nfs/dbraw/zinc/98/87/01/573988701.db2.gz LIXJCPUVQZFZMD-QWRGUYRKSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@@H+](CCCC[C@H](C)[NH2+]C)C1CC1 45599332 573987740 /nfs/dbraw/zinc/98/77/40/573987740.db2.gz WSEFIUURVAWHDB-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[NH2+][C@H](C)CCCC[N@@H+](C)CC 45599307 573987748 /nfs/dbraw/zinc/98/77/48/573987748.db2.gz KCCKFSBJUCWPNT-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCCC[N@@H+](C)CCCC[C@@H](C)[NH3+] 45598974 573987964 /nfs/dbraw/zinc/98/79/64/573987964.db2.gz AVRRPBUVNKZZGB-LLVKDONJSA-N 2 1 186.343 2.236 10 0 AEAEMP CCCC[N@@H+](C)CCC[C@@H](C)[NH2+]C 45598984 573987999 /nfs/dbraw/zinc/98/79/99/573987999.db2.gz XEWRGIBUFZRNCG-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CC(C)CC[N@H+]1CCC[NH2+]CC[C@@H]1C 259260494 573988089 /nfs/dbraw/zinc/98/80/89/573988089.db2.gz FPVKBZMYYAHHIH-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[N@@H+](CCC[C@H](C)[NH2+]C)C1CC1 45599550 573988117 /nfs/dbraw/zinc/98/81/17/573988117.db2.gz BTBXPFBDAGISJB-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H](C)C[N@@H+](C)CCC[C@@H](C)[NH3+] 45599736 573988317 /nfs/dbraw/zinc/98/83/17/573988317.db2.gz HYNQTHNSOZYQCA-WDEREUQCSA-N 2 1 186.343 2.092 10 0 AEAEMP CC(C)[N@@H+](CCC[C@H](C)[NH3+])CC1CC1 45602998 573988352 /nfs/dbraw/zinc/98/83/52/573988352.db2.gz JVCHZVGKMUUCLX-NSHDSACASA-N 2 1 198.354 2.234 10 0 AEAEMP CC[N@@H+](CCCC[C@H](C)[NH3+])C(C)C 45599388 573988379 /nfs/dbraw/zinc/98/83/79/573988379.db2.gz PASBADXFLOMJHS-NSHDSACASA-N 2 1 186.343 2.234 10 0 AEAEMP CCCC[N@@H+](C)CCCC[C@H](C)[NH3+] 45598975 573988395 /nfs/dbraw/zinc/98/83/95/573988395.db2.gz AVRRPBUVNKZZGB-NSHDSACASA-N 2 1 186.343 2.236 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1CCC[C@@H](C)[NH2+]C 45600859 573988437 /nfs/dbraw/zinc/98/84/37/573988437.db2.gz IOFHPLDBEHSFNG-VXGBXAGGSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)c1[nH+]ccn1CCC[C@@H](C)[NH3+] 45604333 573988449 /nfs/dbraw/zinc/98/84/49/573988449.db2.gz POYOEEZFFWFTNJ-SNVBAGLBSA-N 2 1 195.310 2.134 10 0 AEAEMP CCC[N@@H+](C)CCCC[C@H](C)[NH2+]C 45599567 573988471 /nfs/dbraw/zinc/98/84/71/573988471.db2.gz RPKZIEZBLNVLNV-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CC[C@H](C)[N@@H+](CC)CCC[C@@H](C)[NH3+] 45599684 573988551 /nfs/dbraw/zinc/98/85/51/573988551.db2.gz OPNZWGZFNGNITM-MNOVXSKESA-N 2 1 186.343 2.234 10 0 AEAEMP CC[NH2+][C@H](C)CCC[N@@H+](C)CC1CC1 45600909 573988739 /nfs/dbraw/zinc/98/87/39/573988739.db2.gz SHIUVYHLGPJSGJ-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH2+][C@@H](C)CCC[N@H+]1CCC[C@@H]1C 45600819 573988570 /nfs/dbraw/zinc/98/85/70/573988570.db2.gz KEBCLULARBYQSB-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)[N@@H+](C)CCCC[C@@H](C)[NH3+] 45599618 573988620 /nfs/dbraw/zinc/98/86/20/573988620.db2.gz NNNOEPLZOHPQGI-GHMZBOCLSA-N 2 1 186.343 2.234 10 0 AEAEMP CC[N@@H+](CCCC[C@@H](C)[NH3+])C(C)C 45599386 573988762 /nfs/dbraw/zinc/98/87/62/573988762.db2.gz PASBADXFLOMJHS-LLVKDONJSA-N 2 1 186.343 2.234 10 0 AEAEMP CC(C)CC[N@@H+](C)CCC[C@H](C)[NH3+] 45601592 573988781 /nfs/dbraw/zinc/98/87/81/573988781.db2.gz KZUFEOSQEMTEDH-NSHDSACASA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@@H]1CCC[N@@H+](CCC[C@@H](C)[NH3+])C1 45600300 573988792 /nfs/dbraw/zinc/98/87/92/573988792.db2.gz HANRWHZQEQLBDL-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[NH2+][C@H](C)CCC[N@@H+](C)CC 45599321 573989001 /nfs/dbraw/zinc/98/90/01/573989001.db2.gz COMOUENZKXFLDY-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1CCCC[C@@H](C)[NH3+] 45600830 573988859 /nfs/dbraw/zinc/98/88/59/573988859.db2.gz ZTQWPEVINZGKHO-VXGBXAGGSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[N@@H+](CCCC[C@H](C)[NH3+])C1CC1 45599533 573988870 /nfs/dbraw/zinc/98/88/70/573988870.db2.gz QPJHQIAMDGUXNE-NSHDSACASA-N 2 1 198.354 2.378 10 0 AEAEMP CCCC[N@@H+](C)CCC[C@H](C)[NH2+]C 45598985 573988932 /nfs/dbraw/zinc/98/89/32/573988932.db2.gz XEWRGIBUFZRNCG-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CC(C)c1[nH+]ccn1CCC[C@H](C)[NH3+] 45604334 573988955 /nfs/dbraw/zinc/98/89/55/573988955.db2.gz POYOEEZFFWFTNJ-JTQLQIEISA-N 2 1 195.310 2.134 10 0 AEAEMP CCCC[N@@H+](CC)CCC[C@@H](C)[NH3+] 45599054 573988989 /nfs/dbraw/zinc/98/89/89/573988989.db2.gz DEHPGUFSOYPGMV-LLVKDONJSA-N 2 1 186.343 2.236 10 0 AEAEMP CC[N@@H+](CCC[C@@H](C)[NH3+])C1CCCC1 45599821 573989738 /nfs/dbraw/zinc/98/97/38/573989738.db2.gz XYINDTQDBSOCAC-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[N@@H+](CCC[C@@H](C)[NH2+]C)C(C)C 45599406 573989743 /nfs/dbraw/zinc/98/97/43/573989743.db2.gz BBPDABYHGFYLJK-LLVKDONJSA-N 2 1 186.343 2.105 10 0 AEAEMP C[NH2+][C@H](C)CCC[N@@H+](C)[C@@H](C)C1CC1 45600143 573989759 /nfs/dbraw/zinc/98/97/59/573989759.db2.gz LIXJCPUVQZFZMD-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[N@@H+](CCC[C@@H](C)[NH3+])CC1CC1 45602040 573989774 /nfs/dbraw/zinc/98/97/74/573989774.db2.gz CNSMAZZKJFIKNY-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[N@@H+](C)CCC[C@@H](C)[NH2+]CC 45599579 573989809 /nfs/dbraw/zinc/98/98/09/573989809.db2.gz VRVGENKOTWPAQM-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCCCC[N@@H+](C)CCC[C@H](C)[NH3+] 45599709 573989853 /nfs/dbraw/zinc/98/98/53/573989853.db2.gz RUKUFQNLJXHRPI-NSHDSACASA-N 2 1 186.343 2.236 10 0 AEAEMP CC(C)C[N@@H+](C)CCCC[C@H](C)[NH3+] 45599589 573989921 /nfs/dbraw/zinc/98/99/21/573989921.db2.gz ZGENZBSGXKFPPK-NSHDSACASA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[N@@H+](CCCC[C@@H](C)[NH3+])C1CC1 45599531 573989928 /nfs/dbraw/zinc/98/99/28/573989928.db2.gz QPJHQIAMDGUXNE-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[N@@H+](CCC[C@H](C)[NH2+]C)C(C)C 45599408 573989942 /nfs/dbraw/zinc/98/99/42/573989942.db2.gz BBPDABYHGFYLJK-NSHDSACASA-N 2 1 186.343 2.105 10 0 AEAEMP C[C@@H]([NH3+])CCCC[N@@H+](C)C1CCCC1 45599449 573989951 /nfs/dbraw/zinc/98/99/51/573989951.db2.gz MYSKZNLNGXAKAS-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP C[NH2+][C@H](C)CCCC[N@H+]1CC[C@@H](C)C1 45601045 573989974 /nfs/dbraw/zinc/98/99/74/573989974.db2.gz NJAZQPBMMRFAJG-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP C[NH2+][C@H](C)CCC[N@@H+](C)C1CCCC1 45599466 573990052 /nfs/dbraw/zinc/99/00/52/573990052.db2.gz BCPYNJYXEDYART-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)C[C@@H](C)[N@@H+](C)CCCC(N)=[NH2+] 42584054 573992287 /nfs/dbraw/zinc/99/22/87/573992287.db2.gz WHBKWAWBPOPVSR-SNVBAGLBSA-N 2 1 199.342 2.069 10 0 AEAEMP CC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CCC1 127929568 573997433 /nfs/dbraw/zinc/99/74/33/573997433.db2.gz SPRWAJZJHCMHTD-GHMZBOCLSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CCC1 127929568 573997437 /nfs/dbraw/zinc/99/74/37/573997437.db2.gz SPRWAJZJHCMHTD-GHMZBOCLSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[C@H]([NH3+])CC[N@H+]1CCCCC[C@@H]1C 127904685 573996429 /nfs/dbraw/zinc/99/64/29/573996429.db2.gz UVJCOBHTYGVBGR-RYUDHWBXSA-N 2 1 198.354 2.378 10 0 AEAEMP CC[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)C1CCC1 127912161 573996490 /nfs/dbraw/zinc/99/64/90/573996490.db2.gz RBGBNGCAWKEDEO-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+]CCC[C@@H](C)[N@@H+](C)C1CCC1 127908258 573996694 /nfs/dbraw/zinc/99/66/94/573996694.db2.gz XAUHRRYPSGTVLP-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CCC1 127930231 573997009 /nfs/dbraw/zinc/99/70/09/573997009.db2.gz SPRWAJZJHCMHTD-QWRGUYRKSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CCC1 127930231 573997014 /nfs/dbraw/zinc/99/70/14/573997014.db2.gz SPRWAJZJHCMHTD-QWRGUYRKSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[C@H]1CC[C@H](C)[N@@H+](CC[C@@H](C)[NH3+])C1 715112850 573997154 /nfs/dbraw/zinc/99/71/54/573997154.db2.gz MDQPRIWLKWFYEI-WOPDTQHZSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CCC1 127929792 573997240 /nfs/dbraw/zinc/99/72/40/573997240.db2.gz SPRWAJZJHCMHTD-WDEREUQCSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CCC1 127929792 573997244 /nfs/dbraw/zinc/99/72/44/573997244.db2.gz SPRWAJZJHCMHTD-WDEREUQCSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[NH2+]C[C@@H](CC)[N@H+](C)C1CCC1 127915078 573998330 /nfs/dbraw/zinc/99/83/30/573998330.db2.gz IPCALPOEAMRBQT-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+]C[C@@H](CC)[N@@H+](C)C1CCC1 127915078 573998336 /nfs/dbraw/zinc/99/83/36/573998336.db2.gz IPCALPOEAMRBQT-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCC[NH2+]C[C@@H](C)[N@H+](C)C1CCC1 127947987 573999735 /nfs/dbraw/zinc/99/97/35/573999735.db2.gz CWRXBGRLWPCXGZ-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCC[NH2+]C[C@@H](C)[N@@H+](C)C1CCC1 127947987 573999740 /nfs/dbraw/zinc/99/97/40/573999740.db2.gz CWRXBGRLWPCXGZ-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[N@H+](C1CCCCC1)C1CC([NH3+])C1 87653148 574002363 /nfs/dbraw/zinc/00/23/63/574002363.db2.gz PMGYQCXBWJXXCZ-UHFFFAOYSA-N 2 1 196.338 2.131 10 0 AEAEMP CC[NH2+]CC[PH+](CC)CC 238238334 574002121 /nfs/dbraw/zinc/00/21/21/574002121.db2.gz PFOLYABQPUCTTQ-UHFFFAOYSA-N 2 1 161.229 2.118 10 0 AEAEMP CC(C)CCC[C@@H]1CCC[N@@H+]1CC[NH3+] 82291912 574002142 /nfs/dbraw/zinc/00/21/42/574002142.db2.gz ZDJPCXOZTJDBKU-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)CCC[C@@H]1CCC[N@H+]1CC[NH3+] 82291912 574002145 /nfs/dbraw/zinc/00/21/45/574002145.db2.gz ZDJPCXOZTJDBKU-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)CCC[C@H]1CCC[N@@H+]1CC[NH3+] 82291913 574003077 /nfs/dbraw/zinc/00/30/77/574003077.db2.gz ZDJPCXOZTJDBKU-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)CCC[C@H]1CCC[N@H+]1CC[NH3+] 82291913 574003081 /nfs/dbraw/zinc/00/30/81/574003081.db2.gz ZDJPCXOZTJDBKU-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@@H](C)[N@H+]1CCC[C@H](CC[NH2+]C)C1 259284034 574030231 /nfs/dbraw/zinc/03/02/31/574030231.db2.gz TVYGBMAMTGGAAE-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[C@H](C)C[NH2+][C@@H](CC)C[NH3+] 393609062 574035089 /nfs/dbraw/zinc/03/50/89/574035089.db2.gz DHGBYSLTQGQLPE-QWRGUYRKSA-N 2 1 186.343 2.140 10 0 AEAEMP CCCC[C@@H](C)C[NH2+][C@H](CC)C[NH3+] 393609060 574035095 /nfs/dbraw/zinc/03/50/95/574035095.db2.gz DHGBYSLTQGQLPE-GHMZBOCLSA-N 2 1 186.343 2.140 10 0 AEAEMP CCCC[C@H](C)C[NH2+][C@H](CC)C[NH3+] 393609063 574035057 /nfs/dbraw/zinc/03/50/57/574035057.db2.gz DHGBYSLTQGQLPE-WDEREUQCSA-N 2 1 186.343 2.140 10 0 AEAEMP CCCC[C@@H](C)C[NH2+][C@@H](CC)C[NH3+] 393609061 574035433 /nfs/dbraw/zinc/03/54/33/574035433.db2.gz DHGBYSLTQGQLPE-MNOVXSKESA-N 2 1 186.343 2.140 10 0 AEAEMP CCCC[N@H+]1CC[C@H]([NH2+]C)C(C)(C)C1 259295209 574041013 /nfs/dbraw/zinc/04/10/13/574041013.db2.gz PHGYWVNACRZXHA-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C)C(C)(C)C1 259295205 574042698 /nfs/dbraw/zinc/04/26/98/574042698.db2.gz PHGYWVNACRZXHA-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1C 20071551 486713076 /nfs/dbraw/zinc/71/30/76/486713076.db2.gz SUVAMUCGODMVOO-NWDGAFQWSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1C 20071554 486713300 /nfs/dbraw/zinc/71/33/00/486713300.db2.gz SUVAMUCGODMVOO-RYUDHWBXSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCC[N@@H+](C)C[C@H]([NH3+])CC(C)C 20072697 486713991 /nfs/dbraw/zinc/71/39/91/486713991.db2.gz MHLDEWIIULMNFL-LLVKDONJSA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1CC1 37097476 486718329 /nfs/dbraw/zinc/71/83/29/486718329.db2.gz KREJXKMUJHWODB-NSHDSACASA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1CC1 37097475 486718490 /nfs/dbraw/zinc/71/84/90/486718490.db2.gz KREJXKMUJHWODB-LLVKDONJSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1C 37115946 486718997 /nfs/dbraw/zinc/71/89/97/486718997.db2.gz SUVAMUCGODMVOO-VXGBXAGGSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCC[N@@H+](C)C[C@@H]([NH3+])CC(C)C 39141117 486723195 /nfs/dbraw/zinc/72/31/95/486723195.db2.gz MHLDEWIIULMNFL-NSHDSACASA-N 2 1 186.343 2.092 10 0 AEAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCCC1 47888340 486730739 /nfs/dbraw/zinc/73/07/39/486730739.db2.gz JEVFLPVGPJQBIY-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCCC1 47888343 486731060 /nfs/dbraw/zinc/73/10/60/486731060.db2.gz JEVFLPVGPJQBIY-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C(C)C 53648903 486752358 /nfs/dbraw/zinc/75/23/58/486752358.db2.gz FLEQJKKBXFHRRF-GFCCVEGCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC1(C)C 63073479 486768398 /nfs/dbraw/zinc/76/83/98/486768398.db2.gz POYFJBZTQXDCJA-NSHDSACASA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC1(C)C 63073480 486768477 /nfs/dbraw/zinc/76/84/77/486768477.db2.gz POYFJBZTQXDCJA-LLVKDONJSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)(C)[NH2+]CC[N@@H+]1CCCC1(C)C 63066976 486768626 /nfs/dbraw/zinc/76/86/26/486768626.db2.gz FZHDJJLSAVIOFT-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)(C)[NH2+]CC[N@H+]1CCCC1(C)C 63066976 486768630 /nfs/dbraw/zinc/76/86/30/486768630.db2.gz FZHDJJLSAVIOFT-UHFFFAOYSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69724757 486775695 /nfs/dbraw/zinc/77/56/95/486775695.db2.gz CXBYJIRCFZKLGA-WOPDTQHZSA-N 2 1 198.354 2.090 10 0 AEAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 69723745 486775884 /nfs/dbraw/zinc/77/58/84/486775884.db2.gz XIXRARONPKVEBG-VXGBXAGGSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 69723750 486775897 /nfs/dbraw/zinc/77/58/97/486775897.db2.gz XIXRARONPKVEBG-NWDGAFQWSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C 673716615 486776354 /nfs/dbraw/zinc/77/63/54/486776354.db2.gz ZSDFWZSRZQSALI-NWDGAFQWSA-N 2 1 198.354 2.059 10 0 AEAEMP CCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C 673716615 486776358 /nfs/dbraw/zinc/77/63/58/486776358.db2.gz ZSDFWZSRZQSALI-NWDGAFQWSA-N 2 1 198.354 2.059 10 0 AEAEMP CCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C 673716615 486776362 /nfs/dbraw/zinc/77/63/62/486776362.db2.gz ZSDFWZSRZQSALI-NWDGAFQWSA-N 2 1 198.354 2.059 10 0 AEAEMP CCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C 673716616 486776512 /nfs/dbraw/zinc/77/65/12/486776512.db2.gz ZSDFWZSRZQSALI-RYUDHWBXSA-N 2 1 198.354 2.059 10 0 AEAEMP CCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C 673716616 486776507 /nfs/dbraw/zinc/77/65/07/486776507.db2.gz ZSDFWZSRZQSALI-RYUDHWBXSA-N 2 1 198.354 2.059 10 0 AEAEMP CCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C 673716616 486776517 /nfs/dbraw/zinc/77/65/17/486776517.db2.gz ZSDFWZSRZQSALI-RYUDHWBXSA-N 2 1 198.354 2.059 10 0 AEAEMP CCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C 673716613 486776619 /nfs/dbraw/zinc/77/66/19/486776619.db2.gz ZSDFWZSRZQSALI-NEPJUHHUSA-N 2 1 198.354 2.059 10 0 AEAEMP CCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C 673716613 486776624 /nfs/dbraw/zinc/77/66/24/486776624.db2.gz ZSDFWZSRZQSALI-NEPJUHHUSA-N 2 1 198.354 2.059 10 0 AEAEMP CCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C 673716613 486776628 /nfs/dbraw/zinc/77/66/28/486776628.db2.gz ZSDFWZSRZQSALI-NEPJUHHUSA-N 2 1 198.354 2.059 10 0 AEAEMP CCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C 673716618 486776669 /nfs/dbraw/zinc/77/66/69/486776669.db2.gz ZSDFWZSRZQSALI-VXGBXAGGSA-N 2 1 198.354 2.059 10 0 AEAEMP CCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C 673716618 486776674 /nfs/dbraw/zinc/77/66/74/486776674.db2.gz ZSDFWZSRZQSALI-VXGBXAGGSA-N 2 1 198.354 2.059 10 0 AEAEMP CCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C 673716618 486776680 /nfs/dbraw/zinc/77/66/80/486776680.db2.gz ZSDFWZSRZQSALI-VXGBXAGGSA-N 2 1 198.354 2.059 10 0 AEAEMP CC[N@@H+](CC(C)C)[C@H]1CCC[NH2+]CC1 82666648 486822811 /nfs/dbraw/zinc/82/28/11/486822811.db2.gz INTGOWBNZDQQGZ-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666665 486822838 /nfs/dbraw/zinc/82/28/38/486822838.db2.gz CUCVWVGKVJGRTH-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[C@H](C)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666668 486823064 /nfs/dbraw/zinc/82/30/64/486823064.db2.gz FJLOHYCHYZCQRZ-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666862 486823137 /nfs/dbraw/zinc/82/31/37/486823137.db2.gz ZSKDZNXFEIOCSV-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]CC1 82666647 486823242 /nfs/dbraw/zinc/82/32/42/486823242.db2.gz INTGOWBNZDQQGZ-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 82666666 486823440 /nfs/dbraw/zinc/82/34/40/486823440.db2.gz CUCVWVGKVJGRTH-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCC[N@@H+](CC)[C@H]1CCC[NH2+]CC1 82666638 486823478 /nfs/dbraw/zinc/82/34/78/486823478.db2.gz BRGZAIMJQCMGPL-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CC(C)CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 82666863 486823548 /nfs/dbraw/zinc/82/35/48/486823548.db2.gz ZSKDZNXFEIOCSV-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@H](C)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666667 486823670 /nfs/dbraw/zinc/82/36/70/486823670.db2.gz FJLOHYCHYZCQRZ-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 82666637 486823759 /nfs/dbraw/zinc/82/37/59/486823759.db2.gz BRGZAIMJQCMGPL-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[NH+](CC)CCC[N@@H+](C)CC1CC1 675640366 486847099 /nfs/dbraw/zinc/84/70/99/486847099.db2.gz YFJYDSDNGMVRTN-UHFFFAOYSA-N 2 1 198.354 2.060 10 0 AEAEMP CCCC[N@@H+](C)CC[C@H]1CCC[NH+]1C 676222241 486858454 /nfs/dbraw/zinc/85/84/54/486858454.db2.gz HPZKCLOKHWICLG-GFCCVEGCSA-N 2 1 198.354 2.203 10 0 AEAEMP CCCC[NH+](C)CC[C@H]1CCC[N@@H+]1C 676222241 486858459 /nfs/dbraw/zinc/85/84/59/486858459.db2.gz HPZKCLOKHWICLG-GFCCVEGCSA-N 2 1 198.354 2.203 10 0 AEAEMP CCCC[NH+](C)CC[C@H]1CCC[N@H+]1C 676222241 486858461 /nfs/dbraw/zinc/85/84/61/486858461.db2.gz HPZKCLOKHWICLG-GFCCVEGCSA-N 2 1 198.354 2.203 10 0 AEAEMP CCCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C 676222242 486858659 /nfs/dbraw/zinc/85/86/59/486858659.db2.gz HPZKCLOKHWICLG-LBPRGKRZSA-N 2 1 198.354 2.203 10 0 AEAEMP CCCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C 676222242 486858663 /nfs/dbraw/zinc/85/86/63/486858663.db2.gz HPZKCLOKHWICLG-LBPRGKRZSA-N 2 1 198.354 2.203 10 0 AEAEMP CCCC[NH+](C)CC[C@@H]1CCC[N@H+]1C 676222242 486858666 /nfs/dbraw/zinc/85/86/66/486858666.db2.gz HPZKCLOKHWICLG-LBPRGKRZSA-N 2 1 198.354 2.203 10 0 AEAEMP CCC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 86884235 486889525 /nfs/dbraw/zinc/88/95/25/486889525.db2.gz AKYMPLLILSOEAR-TUAOUCFPSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)C[NH+](C)CC[C@H]1CCC[N@H+]1C 678074519 486916688 /nfs/dbraw/zinc/91/66/88/486916688.db2.gz FMGGCICQJYBDSD-GFCCVEGCSA-N 2 1 198.354 2.059 10 0 AEAEMP CC(C)C[N@@H+](C)CC[C@H]1CCC[NH+]1C 678074519 486916683 /nfs/dbraw/zinc/91/66/83/486916683.db2.gz FMGGCICQJYBDSD-GFCCVEGCSA-N 2 1 198.354 2.059 10 0 AEAEMP CC(C)C[NH+](C)CC[C@H]1CCC[N@@H+]1C 678074519 486916686 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/nfs/dbraw/zinc/00/40/30/167004030.db2.gz DSYZADULPDNQBM-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)CC 43821080 167004032 /nfs/dbraw/zinc/00/40/32/167004032.db2.gz DSYZADULPDNQBM-NWDGAFQWSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@H]1CCC[N@H+](CC(C)C)C1 70584382 167004051 /nfs/dbraw/zinc/00/40/51/167004051.db2.gz LVFPZTZVHOTJML-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+][C@H]1CCC[N@@H+](CC(C)C)C1 70584382 167004052 /nfs/dbraw/zinc/00/40/52/167004052.db2.gz LVFPZTZVHOTJML-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+][C@H]1CC[N@@H+](CCC)C[C@H]1C 242547909 167004180 /nfs/dbraw/zinc/00/41/80/167004180.db2.gz KYMWMZXZZWNEFO-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+][C@](C)(C[NH3+])CCC(C)C 50270599 167005299 /nfs/dbraw/zinc/00/52/99/167005299.db2.gz JLXKWVXVLIPFKP-NSHDSACASA-N 2 1 186.343 2.140 10 0 AEAEMP CCC[C@@H](C)C[N@@H+](CC)CCC[NH3+] 51297705 167028870 /nfs/dbraw/zinc/02/88/70/167028870.db2.gz DTNBMQIWNMGYIS-LLVKDONJSA-N 2 1 186.343 2.093 10 0 AEAEMP CCC[C@@H](C)C[N@@H+](CC)CCC(N)=[NH2+] 51320853 167029000 /nfs/dbraw/zinc/02/90/00/167029000.db2.gz VRQCIAGNABUPCE-SNVBAGLBSA-N 2 1 199.342 2.071 10 0 AEAEMP CCC[C@@H](C)C[N@@H+](CCC[NH3+])C1CC1 51297715 167029256 /nfs/dbraw/zinc/02/92/56/167029256.db2.gz SIYBQZIRERUPRK-LLVKDONJSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)C[N@H+]1CCC[C@@H]1C[NH2+]C 51321011 167030892 /nfs/dbraw/zinc/03/08/92/167030892.db2.gz YSYXRTDYBHMGEM-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CCC[NH2+]CC 42409627 167031310 /nfs/dbraw/zinc/03/13/10/167031310.db2.gz MVNCFOJDXPSPRC-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 51218084 167031473 /nfs/dbraw/zinc/03/14/73/167031473.db2.gz VSJVUTXMWKCVCH-SNVBAGLBSA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[C@@H](C)[N@H+]1CCC[NH2+]C[C@H](C)C1 49663944 167031560 /nfs/dbraw/zinc/03/15/60/167031560.db2.gz FQPNIQZRQLAXRB-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CC[C@@H](C)[NH2+]C 43896389 167031669 /nfs/dbraw/zinc/03/16/69/167031669.db2.gz RZNCFCOJAKCOEP-GHMZBOCLSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749394 167031923 /nfs/dbraw/zinc/03/19/23/167031923.db2.gz BWOYOCAHAXWTMR-WAAKLRNESA-N 2 1 196.338 2.129 10 0 AEAEMP CCC[C@@H](C)[N@H+]1CCC[NH2+][C@H](C)CC1 44390292 167031995 /nfs/dbraw/zinc/03/19/95/167031995.db2.gz XYUYWJUXBVAUNW-VXGBXAGGSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 55144379 167032828 /nfs/dbraw/zinc/03/28/28/167032828.db2.gz NBTYFSYTHOMLQP-VOMCLLRMSA-N 2 1 198.354 2.377 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CCCCC(N)=[NH2+] 49579732 167033271 /nfs/dbraw/zinc/03/32/71/167033271.db2.gz RJYCFTMTMJUAEV-SNVBAGLBSA-N 2 1 199.342 2.213 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CCCCC[NH3+] 49580695 167033619 /nfs/dbraw/zinc/03/36/19/167033619.db2.gz YFWMXCXDFLSZBK-LLVKDONJSA-N 2 1 186.343 2.236 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]1 42172102 167033653 /nfs/dbraw/zinc/03/36/53/167033653.db2.gz PNWNJUVLHMBOMC-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C[N@@H+]1CCC[C@@H]1C)[NH2+]CC 50185059 167040508 /nfs/dbraw/zinc/04/05/08/167040508.db2.gz KQZGSNIYXKVUJG-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C[N@H+]1CCC[C@@H]1C)[NH2+]CC 50185059 167040510 /nfs/dbraw/zinc/04/05/10/167040510.db2.gz KQZGSNIYXKVUJG-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C[N@H+](C)C(C)C)[NH2+]CC 50184491 167040626 /nfs/dbraw/zinc/04/06/26/167040626.db2.gz KFQOWNBBKBOWCO-NSHDSACASA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[C@@H](C[N@@H+](C)C(C)C)[NH2+]CC 50184491 167040630 /nfs/dbraw/zinc/04/06/30/167040630.db2.gz KFQOWNBBKBOWCO-NSHDSACASA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[C@@H](C[N@H+](CCC)C1CC1)[NH2+]C 50184792 167040703 /nfs/dbraw/zinc/04/07/03/167040703.db2.gz MZCUZIZTSNIODU-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C[N@@H+](CCC)C1CC1)[NH2+]C 50184792 167040704 /nfs/dbraw/zinc/04/07/04/167040704.db2.gz MZCUZIZTSNIODU-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C[NH+]1CCCCC1)[NH2+]CC 50184502 167041228 /nfs/dbraw/zinc/04/12/28/167041228.db2.gz FOLOOMLWQGDKJB-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[C@@H](C[NH+](CC)CC)[NH2+]CC 50184418 167041646 /nfs/dbraw/zinc/04/16/46/167041646.db2.gz SVTHDGLDRZPUNX-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C 50184391 167041784 /nfs/dbraw/zinc/04/17/84/167041784.db2.gz UGLHXCZNYIEDGW-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C[N@H+]1CCC[C@@H]1CC)[NH2+]C 50185064 167041855 /nfs/dbraw/zinc/04/18/55/167041855.db2.gz DDKPELBZFWLOIW-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@@H](C[N@H+](C)CC1CC1)[NH2+]CC 50185076 167042054 /nfs/dbraw/zinc/04/20/54/167042054.db2.gz BOTYNVLJQMHQCJ-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C[N@@H+](C)CC1CC1)[NH2+]CC 50185076 167042058 /nfs/dbraw/zinc/04/20/58/167042058.db2.gz BOTYNVLJQMHQCJ-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C[N@H+](C)CCC)[NH2+]CC 50184808 167042406 /nfs/dbraw/zinc/04/24/06/167042406.db2.gz NMZLHOAKVVRKAR-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@@H](C[N@@H+](C)CCC)[NH2+]CC 50184808 167042408 /nfs/dbraw/zinc/04/24/08/167042408.db2.gz NMZLHOAKVVRKAR-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@@H](C[N@H+](CC)CCC)[NH2+]C 50184775 167042943 /nfs/dbraw/zinc/04/29/43/167042943.db2.gz LAVPGSFWDMVFHX-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@@H](C[N@@H+](CC)CCC)[NH2+]C 50184775 167042946 /nfs/dbraw/zinc/04/29/46/167042946.db2.gz LAVPGSFWDMVFHX-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@@H]([NH3+])C[N@@H+](C)CCC(C)C 42457908 167043910 /nfs/dbraw/zinc/04/39/10/167043910.db2.gz IFESUETXPCKXON-LLVKDONJSA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[N@H+](C)C1CC1 43822812 167047053 /nfs/dbraw/zinc/04/70/53/167047053.db2.gz WLDBHFRIQYPEPF-NEPJUHHUSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[N@@H+](C)C1CC1 43822812 167047056 /nfs/dbraw/zinc/04/70/56/167047056.db2.gz WLDBHFRIQYPEPF-NEPJUHHUSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[C@@H]([NH3+])[C@H](CC)n1cc[nH+]c1C 19265235 167047065 /nfs/dbraw/zinc/04/70/65/167047065.db2.gz BSMWGHPTKMHRNR-MNOVXSKESA-N 2 1 195.310 2.270 10 0 AEAEMP CCC[C@@H]([NH3+])[C@@H](CC)n1cc[nH+]c1C 19265231 167048640 /nfs/dbraw/zinc/04/86/40/167048640.db2.gz BSMWGHPTKMHRNR-GHMZBOCLSA-N 2 1 195.310 2.270 10 0 AEAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@H+](C)C1CC1 43822806 167048779 /nfs/dbraw/zinc/04/87/79/167048779.db2.gz WLDBHFRIQYPEPF-VXGBXAGGSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@@H+](C)C1CC1 43822806 167048781 /nfs/dbraw/zinc/04/87/81/167048781.db2.gz WLDBHFRIQYPEPF-VXGBXAGGSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[C@@H]([NH3+])Cn1cc[nH+]c1C(C)C 50186065 167049151 /nfs/dbraw/zinc/04/91/51/167049151.db2.gz UCMOYVDJKHVZRZ-SNVBAGLBSA-N 2 1 195.310 2.134 10 0 AEAEMP CCC[C@@](C)(C[NH3+])C[N@H+]1CCC[C@@H]1C 51205626 167057873 /nfs/dbraw/zinc/05/78/73/167057873.db2.gz XIFIDSVEYUTYDW-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@](C)(C[NH3+])C[N@@H+](C)CC1CC1 51249731 167058330 /nfs/dbraw/zinc/05/83/30/167058330.db2.gz HVWOKNQYVIMJTJ-LBPRGKRZSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[C@@](C)(C[NH3+])C[N@@H+](CC)C1CC1 51215054 167059155 /nfs/dbraw/zinc/05/91/55/167059155.db2.gz BOFJIJJTXCOZPL-LBPRGKRZSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@](C)(C[NH3+])C[N@@H+](C)C(C)C 51210901 167059404 /nfs/dbraw/zinc/05/94/04/167059404.db2.gz SSDSFZYTRHTOLI-NSHDSACASA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[C@@](C)(C[NH2+]C)C[N@@H+](C)C1CC1 51215120 167060309 /nfs/dbraw/zinc/06/03/09/167060309.db2.gz MFUYBAIKBDCXJM-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C)C[N@@H+](CC)CCC[NH3+] 51297707 167064488 /nfs/dbraw/zinc/06/44/88/167064488.db2.gz DTNBMQIWNMGYIS-NSHDSACASA-N 2 1 186.343 2.093 10 0 AEAEMP CCC[C@H](C)C[N@@H+](CCC[NH3+])C1CC1 51297717 167064787 /nfs/dbraw/zinc/06/47/87/167064787.db2.gz SIYBQZIRERUPRK-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@H](C)C[N@H+]1CCC[C@@H]1C[NH2+]C 51321013 167064803 /nfs/dbraw/zinc/06/48/03/167064803.db2.gz YSYXRTDYBHMGEM-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C)C[N@@H+](CC)CCC(N)=[NH2+] 51320855 167065266 /nfs/dbraw/zinc/06/52/66/167065266.db2.gz VRQCIAGNABUPCE-JTQLQIEISA-N 2 1 199.342 2.071 10 0 AEAEMP CCC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749395 167066050 /nfs/dbraw/zinc/06/60/50/167066050.db2.gz BWOYOCAHAXWTMR-YEJSDXFRSA-N 2 1 196.338 2.129 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CCC[NH2+]CC 42409628 167066401 /nfs/dbraw/zinc/06/64/01/167066401.db2.gz MVNCFOJDXPSPRC-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CC[C@@H](C)[NH2+]C 43896391 167067058 /nfs/dbraw/zinc/06/70/58/167067058.db2.gz RZNCFCOJAKCOEP-MNOVXSKESA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]1 42172106 167067119 /nfs/dbraw/zinc/06/71/19/167067119.db2.gz PNWNJUVLHMBOMC-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CCCCC(N)=[NH2+] 49579733 167067229 /nfs/dbraw/zinc/06/72/29/167067229.db2.gz RJYCFTMTMJUAEV-JTQLQIEISA-N 2 1 199.342 2.213 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CCCCC[NH3+] 49580696 167067490 /nfs/dbraw/zinc/06/74/90/167067490.db2.gz YFWMXCXDFLSZBK-NSHDSACASA-N 2 1 186.343 2.236 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 51218085 167067866 /nfs/dbraw/zinc/06/78/66/167067866.db2.gz VSJVUTXMWKCVCH-JTQLQIEISA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCC[NH2+]C[C@H](C)C1 49663945 167068050 /nfs/dbraw/zinc/06/80/50/167068050.db2.gz FQPNIQZRQLAXRB-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C)[N@H+]1CCC[NH2+][C@H](C)CC1 44390295 167068069 /nfs/dbraw/zinc/06/80/69/167068069.db2.gz XYUYWJUXBVAUNW-NEPJUHHUSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 55144381 167068202 /nfs/dbraw/zinc/06/82/02/167068202.db2.gz NBTYFSYTHOMLQP-UNXYVOJBSA-N 2 1 198.354 2.377 10 0 AEAEMP CCC[C@H](C[N@H+](C)C(C)C)[NH2+]CC 50184492 167075756 /nfs/dbraw/zinc/07/57/56/167075756.db2.gz KFQOWNBBKBOWCO-LLVKDONJSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[C@H](C[N@@H+](C)C(C)C)[NH2+]CC 50184492 167075760 /nfs/dbraw/zinc/07/57/60/167075760.db2.gz KFQOWNBBKBOWCO-LLVKDONJSA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[C@H](C[N@H+](C)CCC)[NH2+]CC 50184809 167076135 /nfs/dbraw/zinc/07/61/35/167076135.db2.gz NMZLHOAKVVRKAR-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@H](C[N@@H+](C)CCC)[NH2+]CC 50184809 167076136 /nfs/dbraw/zinc/07/61/36/167076136.db2.gz NMZLHOAKVVRKAR-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@H](C[N@H+](C)CC1CC1)[NH2+]CC 50185077 167076629 /nfs/dbraw/zinc/07/66/29/167076629.db2.gz BOTYNVLJQMHQCJ-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C[N@@H+](C)CC1CC1)[NH2+]CC 50185077 167076632 /nfs/dbraw/zinc/07/66/32/167076632.db2.gz BOTYNVLJQMHQCJ-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C[N@H+](CCC)C1CC1)[NH2+]C 50184793 167076793 /nfs/dbraw/zinc/07/67/93/167076793.db2.gz MZCUZIZTSNIODU-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP 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43883111 171151631 /nfs/dbraw/zinc/15/16/31/171151631.db2.gz WVESFXZPVNCBOA-NSHDSACASA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[NH2+][C@@H](C)CC[N@@H+](C)CCC 43886458 171151655 /nfs/dbraw/zinc/15/16/55/171151655.db2.gz OEOSUTOIRGNZEL-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[NH2+][C@@H](C)CC[N@@H+](C)C(C)C 43813832 171151713 /nfs/dbraw/zinc/15/17/13/171151713.db2.gz ZGDNEQOXHFVGGH-NSHDSACASA-N 2 1 186.343 2.105 10 0 AEAEMP CCC[NH2+][C@@H](C)CC[N@H+]1CCC[C@@H]1C 43903914 171152005 /nfs/dbraw/zinc/15/20/05/171152005.db2.gz KYGAJJTYHMBRBI-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H]1CC 43904875 171152236 /nfs/dbraw/zinc/15/22/36/171152236.db2.gz YRWSWCWFTRLUJN-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@@H](C)C[N@H+]1CCC[C@@H]1CC 43904875 171152238 /nfs/dbraw/zinc/15/22/38/171152238.db2.gz YRWSWCWFTRLUJN-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H]1CC[N@@H+](CCC(C)C)CC[NH2+]1 49660899 171153921 /nfs/dbraw/zinc/15/39/21/171153921.db2.gz GHFJOMGUNIXIEI-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C(C)(C)C 52205417 171161438 /nfs/dbraw/zinc/16/14/38/171161438.db2.gz REWBNLCUIDTKAQ-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C(C)(C)C 52205416 171161717 /nfs/dbraw/zinc/16/17/17/171161717.db2.gz REWBNLCUIDTKAQ-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1CCC1 52209548 171161985 /nfs/dbraw/zinc/16/19/85/171161985.db2.gz UDUTWTAMVOFDMM-LBPRGKRZSA-N 2 1 196.338 2.003 10 0 AEAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1CCC1 52209546 171162062 /nfs/dbraw/zinc/16/20/62/171162062.db2.gz UDUTWTAMVOFDMM-GFCCVEGCSA-N 2 1 196.338 2.003 10 0 AEAEMP c1c[nH+]c(Nc2ccc3nc[nH]c3c2)[nH]1 13760751 171166766 /nfs/dbraw/zinc/16/67/66/171166766.db2.gz NFSIDEIKDWWMOX-UHFFFAOYSA-N 2 1 199.217 2.030 10 0 in-vivo AEAEMP C[NH2+]C1(C[NH3+])CCC2(CCCC2)CC1 161375350 344190419 /nfs/dbraw/zinc/19/04/19/344190419.db2.gz LILFXXJJHJBNTF-UHFFFAOYSA-N 2 1 196.338 2.038 10 0 AEAEMP CC1=CC[N@H+](C[C@@H]([NH3+])C(C)(C)C)CC1 166135102 344275524 /nfs/dbraw/zinc/27/55/24/344275524.db2.gz TYOARLWLWFMKOB-LLVKDONJSA-N 2 1 196.338 2.012 10 0 AEAEMP CC1=CC[N@@H+](C[C@@H]([NH3+])C(C)(C)C)CC1 166135102 344275525 /nfs/dbraw/zinc/27/55/25/344275525.db2.gz TYOARLWLWFMKOB-LLVKDONJSA-N 2 1 196.338 2.012 10 0 AEAEMP CNc1cc[nH+]cc1C[NH2+]C(C)(C)C 166298694 344278480 /nfs/dbraw/zinc/27/84/80/344278480.db2.gz FEDGNUNOWINWAF-UHFFFAOYSA-N 2 1 193.294 2.011 10 0 AEAEMP CC[NH2+][C@@H]1CC[N@@H+](C(C)C)[C@@H](C)[C@@H]1C 221779169 344446270 /nfs/dbraw/zinc/44/62/70/344446270.db2.gz XSEQBNWKPIVOSD-SDDRHHMPSA-N 2 1 198.354 2.103 10 0 AEAEMP CC(C)=CC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] 226344243 344500333 /nfs/dbraw/zinc/50/03/33/344500333.db2.gz JKXRYBGPGOBSKG-NEPJUHHUSA-N 2 1 196.338 2.012 10 0 AEAEMP CC(C)=CC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] 226344243 344500334 /nfs/dbraw/zinc/50/03/34/344500334.db2.gz JKXRYBGPGOBSKG-NEPJUHHUSA-N 2 1 196.338 2.012 10 0 AEAEMP C[NH2+][C@H]1[C@@H]([N@H+](C)C(C)C)CCC1(C)C 226921724 344517464 /nfs/dbraw/zinc/51/74/64/344517464.db2.gz MXVPXMUUHQEDAZ-QWRGUYRKSA-N 2 1 198.354 2.103 10 0 AEAEMP C[NH2+][C@H]1[C@@H]([N@@H+](C)C(C)C)CCC1(C)C 226921724 344517465 /nfs/dbraw/zinc/51/74/65/344517465.db2.gz MXVPXMUUHQEDAZ-QWRGUYRKSA-N 2 1 198.354 2.103 10 0 AEAEMP C[C@H]1C[C@H]([N@H+]2CCCC2(C)C)CC[NH2+]1 229547108 344602072 /nfs/dbraw/zinc/60/20/72/344602072.db2.gz WZDOVQGCQWMPFR-WDEREUQCSA-N 2 1 196.338 2.001 10 0 AEAEMP C[C@H]1C[C@@H]([N@H+]2CCCC2(C)C)CC[NH2+]1 229547124 344602141 /nfs/dbraw/zinc/60/21/41/344602141.db2.gz WZDOVQGCQWMPFR-QWRGUYRKSA-N 2 1 196.338 2.001 10 0 AEAEMP C[C@@H]1C[C@@H]([N@H+]2CCCC2(C)C)CC[NH2+]1 229547117 344602158 /nfs/dbraw/zinc/60/21/58/344602158.db2.gz WZDOVQGCQWMPFR-MNOVXSKESA-N 2 1 196.338 2.001 10 0 AEAEMP CCC1([N@H+]2CCCN[C@@H](C)C2)CCC1 229562512 344604451 /nfs/dbraw/zinc/60/44/51/344604451.db2.gz UWABGZCLKSGDPD-NSHDSACASA-N 2 1 196.338 2.003 10 0 AEAEMP CC[N@H+](C)[C@@H]1CCCC(C)(C)[C@H]1[NH2+]C 249916959 344828852 /nfs/dbraw/zinc/82/88/52/344828852.db2.gz KFFAMBFBSQAQKG-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@@H+](C)[C@@H]1CCCC(C)(C)[C@H]1[NH2+]C 249916959 344828853 /nfs/dbraw/zinc/82/88/53/344828853.db2.gz KFFAMBFBSQAQKG-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@H+](C)[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C 250100919 344829996 /nfs/dbraw/zinc/82/99/96/344829996.db2.gz ZBEOVCZHMZQPSZ-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@@H+](C)[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C 250100919 344829997 /nfs/dbraw/zinc/82/99/97/344829997.db2.gz ZBEOVCZHMZQPSZ-GHMZBOCLSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@H+]1C[C@@H](C(C)(C)C)[NH2+]CC[C@H]1C 250240175 344831085 /nfs/dbraw/zinc/83/10/85/344831085.db2.gz HFIMOQAUYWGOMB-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)[N@@H+](C)[C@H]1CCCCC[C@H]1C[NH3+] 250480897 344834578 /nfs/dbraw/zinc/83/45/78/344834578.db2.gz CECBRUSBUUFCJI-RYUDHWBXSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[N@@H+](C)[C@@H]1CCCCC[C@H]1C[NH3+] 250480895 344834621 /nfs/dbraw/zinc/83/46/21/344834621.db2.gz CECBRUSBUUFCJI-NWDGAFQWSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@H]([N@@H+](C)[C@H]1CC[C@H]([NH3+])C1)C(C)(C)C 251090837 344846678 /nfs/dbraw/zinc/84/66/78/344846678.db2.gz ZCQMHSOUMBZLKQ-DCAQKATOSA-N 2 1 198.354 2.233 10 0 AEAEMP C[C@H]([N@@H+](C)[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)C 251090836 344846731 /nfs/dbraw/zinc/84/67/31/344846731.db2.gz ZCQMHSOUMBZLKQ-AXFHLTTASA-N 2 1 198.354 2.233 10 0 AEAEMP CC[C@](C)(N)C[N@H+]1C[C@H](C)CC[C@H]1C 251265427 344850914 /nfs/dbraw/zinc/85/09/14/344850914.db2.gz LWISEGNHDFAMPG-UTUOFQBUSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@](C)([NH3+])CN1C[C@H](C)CC[C@H]1C 251265427 344850915 /nfs/dbraw/zinc/85/09/15/344850915.db2.gz LWISEGNHDFAMPG-UTUOFQBUSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[C@@H](C)[N@H+]1CCC[NH2+][C@H](C)CC1 251730702 344869278 /nfs/dbraw/zinc/86/92/78/344869278.db2.gz QLSSHKPYDKOSJB-VXGBXAGGSA-N 2 1 198.354 2.105 10 0 AEAEMP C[C@@H]1CCC[N@H+]1CC[C@H]1CCCC[NH2+]1 252101257 344885335 /nfs/dbraw/zinc/88/53/35/344885335.db2.gz GHQVDQKNCAECTJ-VXGBXAGGSA-N 2 1 196.338 2.003 10 0 AEAEMP CC(C)[N@@H+](C)C[C@H]1C[C@H](C)CC[C@H]1[NH3+] 252180405 344890137 /nfs/dbraw/zinc/89/01/37/344890137.db2.gz SUQLJLKTEFEARL-IJLUTSLNSA-N 2 1 198.354 2.090 10 0 AEAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1CCCC[C@H]1C 252197289 344891250 /nfs/dbraw/zinc/89/12/50/344891250.db2.gz SORQVWUEUZFDKL-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP CC[NH2+][C@@H]1CC[N@@H+](C(C)C)[C@H](C)[C@H]1C 252614012 344904642 /nfs/dbraw/zinc/90/46/42/344904642.db2.gz XSEQBNWKPIVOSD-IJLUTSLNSA-N 2 1 198.354 2.103 10 0 AEAEMP CC(C)[N@@H+](C)[C@H]1C[C@H](C)CC[C@H]1C[NH3+] 252437885 344896735 /nfs/dbraw/zinc/89/67/35/344896735.db2.gz YECHGDXLVNFDOU-WOPDTQHZSA-N 2 1 198.354 2.090 10 0 AEAEMP CC[NH2+][C@@H]1CC[N@H+](C2(C)CC2)[C@H](C)C1 252934424 344919968 /nfs/dbraw/zinc/91/99/68/344919968.db2.gz DQAHBZUJOBVNIN-GHMZBOCLSA-N 2 1 196.338 2.001 10 0 AEAEMP CCC(C)(C)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 300014329 344962721 /nfs/dbraw/zinc/96/27/21/344962721.db2.gz AHVRVRQKRNUEOW-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP CCCC1([N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 306562122 345438197 /nfs/dbraw/zinc/43/81/97/345438197.db2.gz NTCVCDIVFYORSL-QWRGUYRKSA-N 2 1 196.338 2.131 10 0 AEAEMP C[C@H](N)C[N@@H+](C)[C@@H]1CCC[C@@H](C)CC1 306564884 345441222 /nfs/dbraw/zinc/44/12/22/345441222.db2.gz QQPVFAZHKPSSTG-GRYCIOLGSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)C[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 307252174 345923674 /nfs/dbraw/zinc/92/36/74/345923674.db2.gz RPYVYUVYPBIXQZ-NWDGAFQWSA-N 2 1 198.354 2.234 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399019351 346597010 /nfs/dbraw/zinc/59/70/10/346597010.db2.gz GJTBREILLIFCJD-USZNOCQGSA-N 2 1 198.354 2.151 10 0 AEAEMP CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399044387 346597887 /nfs/dbraw/zinc/59/78/87/346597887.db2.gz UALBBAGYQMBTHQ-GRYCIOLGSA-N 2 1 198.354 2.295 10 0 AEAEMP CCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 607739265 346995354 /nfs/dbraw/zinc/99/53/54/346995354.db2.gz QNGGWLYPLDPEKO-NWDGAFQWSA-N 2 1 198.354 2.201 10 0 AEAEMP CCC[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 629395340 347342046 /nfs/dbraw/zinc/34/20/46/347342046.db2.gz PILKKNRHUPNKJF-QJPTWQEYSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[C@H](C)C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 629395341 347342188 /nfs/dbraw/zinc/34/21/88/347342188.db2.gz PILKKNRHUPNKJF-SDDRHHMPSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[C@H](C)CCC[N@H+]1CC[C@@H]([NH3+])C1 629505866 347345144 /nfs/dbraw/zinc/34/51/44/347345144.db2.gz POIRRCPUPYKGAL-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643485117 352962772 /nfs/dbraw/zinc/96/27/72/352962772.db2.gz AQPQIYGRKOXJPZ-QWRGUYRKSA-N 2 1 198.354 2.010 10 0 AEAEMP CCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C 643485116 352962506 /nfs/dbraw/zinc/96/25/06/352962506.db2.gz AQPQIYGRKOXJPZ-MNOVXSKESA-N 2 1 198.354 2.010 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911245 409403594 /nfs/dbraw/zinc/40/35/94/409403594.db2.gz PICUADMGBHUUTI-VXGBXAGGSA-N 2 1 198.354 2.106 10 0 AEAEMP C[NH2+][C@H](CC(C)C)C[NH+]1CCCCC1 328207822 325641737 /nfs/dbraw/zinc/64/17/37/325641737.db2.gz VLWGPJPBIAEUJU-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H]1CCCC[N@H+]1CCCCC[NH3+] 4226774 342988791 /nfs/dbraw/zinc/98/87/91/342988791.db2.gz VHPBSEYFUPNZIR-LBPRGKRZSA-N 2 1 198.354 2.380 10 0 AEAEMP CC[C@@H]1CCCC[N@H+]1CCCCC[NH3+] 4226773 342989115 /nfs/dbraw/zinc/98/91/15/342989115.db2.gz VHPBSEYFUPNZIR-GFCCVEGCSA-N 2 1 198.354 2.380 10 0 AEAEMP Cc1[nH+]ccn1[C@H]1CCCCC[C@@H]1[NH3+] 23068177 343082647 /nfs/dbraw/zinc/08/26/47/343082647.db2.gz VUBHLMWJLFHALP-QWRGUYRKSA-N 2 1 193.294 2.024 10 0 AEAEMP Cc1[nH+]ccn1[C@@H]1CCCCC[C@H]1[NH3+] 23068179 343082700 /nfs/dbraw/zinc/08/27/00/343082700.db2.gz VUBHLMWJLFHALP-GHMZBOCLSA-N 2 1 193.294 2.024 10 0 AEAEMP CC(C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1C[NH3+] 37157444 343161404 /nfs/dbraw/zinc/16/14/04/343161404.db2.gz YECHGDXLVNFDOU-GRYCIOLGSA-N 2 1 198.354 2.090 10 0 AEAEMP CC(C)[N@@H+](C)[C@H]1CCCCC[C@@H]1C[NH3+] 37157450 343161570 /nfs/dbraw/zinc/16/15/70/343161570.db2.gz CECBRUSBUUFCJI-NEPJUHHUSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] 37157440 343161702 /nfs/dbraw/zinc/16/17/02/343161702.db2.gz YECHGDXLVNFDOU-IJLUTSLNSA-N 2 1 198.354 2.090 10 0 AEAEMP CC(C)[NH2+]CC[N@@H+]1[C@@H](C)CCC[C@H]1C 37477269 343170866 /nfs/dbraw/zinc/17/08/66/343170866.db2.gz CBUISVBHWRVBFG-TXEJJXNPSA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)[NH2+]CC[N@H+]1[C@@H](C)CCC[C@H]1C 37477269 343170869 /nfs/dbraw/zinc/17/08/69/343170869.db2.gz CBUISVBHWRVBFG-TXEJJXNPSA-N 2 1 198.354 2.247 10 0 AEAEMP C[C@H]1CCC[N@H+]1CC1([NH3+])CCCCC1 37911193 343180079 /nfs/dbraw/zinc/18/00/79/343180079.db2.gz UCDVNUBIAPRTLS-NSHDSACASA-N 2 1 196.338 2.132 10 0 AEAEMP C[C@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 37911095 343180496 /nfs/dbraw/zinc/18/04/96/343180496.db2.gz GHQVDQKNCAECTJ-RYUDHWBXSA-N 2 1 196.338 2.003 10 0 AEAEMP C[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]1 42171738 343237419 /nfs/dbraw/zinc/23/74/19/343237419.db2.gz ZBOCIOKZFPCYAP-RYUDHWBXSA-N 2 1 196.338 2.003 10 0 AEAEMP C[C@H]([N@@H+](C)C1CC[NH2+]CC1)C(C)(C)C 42768025 343248905 /nfs/dbraw/zinc/24/89/05/343248905.db2.gz UQXLDEVIRBFRQB-JTQLQIEISA-N 2 1 198.354 2.105 10 0 AEAEMP CCC[NH2+]CC[N@H+]1CCCC[C@H]1CC 44380683 343264634 /nfs/dbraw/zinc/26/46/34/343264634.db2.gz QYZZPWACAJUKLV-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[NH2+]CC[N@@H+]1CCCC[C@H]1CC 44380683 343264631 /nfs/dbraw/zinc/26/46/31/343264631.db2.gz QYZZPWACAJUKLV-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[NH2+]CC[N@@H+]1[C@@H](C)CCC[C@H]1C 44380403 343264711 /nfs/dbraw/zinc/26/47/11/343264711.db2.gz DVABPHOGWYZXTO-TXEJJXNPSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+]CC[N@H+]1[C@@H](C)CCC[C@H]1C 44380403 343264713 /nfs/dbraw/zinc/26/47/13/343264713.db2.gz DVABPHOGWYZXTO-TXEJJXNPSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+]CC[N@@H+]1CCCC[C@@H]1CC 44380679 343264752 /nfs/dbraw/zinc/26/47/52/343264752.db2.gz QYZZPWACAJUKLV-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[NH2+]CC[N@H+]1CCCC[C@@H]1CC 44380679 343264753 /nfs/dbraw/zinc/26/47/53/343264753.db2.gz QYZZPWACAJUKLV-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP C[C@H]1CC[N@@H+](CC(C)(C)C[NH3+])[C@H](C)C1 51748479 343292551 /nfs/dbraw/zinc/29/25/51/343292551.db2.gz MXKCWCGOIMOZLA-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP Cc1[nH+]cn([C@H](C[NH3+])C(C)(C)C)c1C 51925848 343296007 /nfs/dbraw/zinc/29/60/07/343296007.db2.gz VYOYGQDTHOGTHM-SNVBAGLBSA-N 2 1 195.310 2.046 10 0 AEAEMP CC(C)[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 53862318 343316579 /nfs/dbraw/zinc/31/65/79/343316579.db2.gz SUQLJLKTEFEARL-WOPDTQHZSA-N 2 1 198.354 2.090 10 0 AEAEMP CC(C)[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 53862322 343317177 /nfs/dbraw/zinc/31/71/77/343317177.db2.gz SUQLJLKTEFEARL-GRYCIOLGSA-N 2 1 198.354 2.090 10 0 AEAEMP CCC[NH2+]C1C[C@@H]2CCC[C@H](C1)[N@H+]2C 54601577 343326970 /nfs/dbraw/zinc/32/69/70/343326970.db2.gz IYDOQXJPVAKHRF-YOGCLGLASA-N 2 1 196.338 2.001 10 0 AEAEMP CC(C)[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 55144375 343334016 /nfs/dbraw/zinc/33/40/16/343334016.db2.gz SZOOILBOAIWFGQ-VOMCLLRMSA-N 2 1 198.354 2.233 10 0 AEAEMP C[N@@H+](C1CCCC1)C1CCC([NH3+])CC1 55144309 343334144 /nfs/dbraw/zinc/33/41/44/343334144.db2.gz KTIFVLNKVMXPBI-UHFFFAOYSA-N 2 1 196.338 2.131 10 0 AEAEMP CC[C@@H]1CCC[N@H+]1C1CCC([NH3+])CC1 55144426 343334188 /nfs/dbraw/zinc/33/41/88/343334188.db2.gz WPYDVRLHQWKMSI-MOENNCHZSA-N 2 1 196.338 2.131 10 0 AEAEMP CC[C@H]1CCC[N@H+]1C1CCC([NH3+])CC1 55144429 343334202 /nfs/dbraw/zinc/33/42/02/343334202.db2.gz WPYDVRLHQWKMSI-CXQJBGSLSA-N 2 1 196.338 2.131 10 0 AEAEMP CC(C)[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 55144376 343334318 /nfs/dbraw/zinc/33/43/18/343334318.db2.gz SZOOILBOAIWFGQ-UNXYVOJBSA-N 2 1 198.354 2.233 10 0 AEAEMP CC1(C)CCC[N@H+]1C1CCC([NH3+])CC1 63067309 343400147 /nfs/dbraw/zinc/40/01/47/343400147.db2.gz 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196.338 2.154 10 0 AEAEMP CC(C)=CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] 63195762 343405579 /nfs/dbraw/zinc/40/55/79/343405579.db2.gz NJDXYBUBWOSHRW-RYUDHWBXSA-N 2 1 196.338 2.154 10 0 AEAEMP CC(C)=CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] 63195762 343405581 /nfs/dbraw/zinc/40/55/81/343405581.db2.gz NJDXYBUBWOSHRW-RYUDHWBXSA-N 2 1 196.338 2.154 10 0 AEAEMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 69626910 343427347 /nfs/dbraw/zinc/42/73/47/343427347.db2.gz DDCXFRWUTBWJBI-VXGBXAGGSA-N 2 1 196.338 2.012 10 0 AEAEMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 69626907 343427450 /nfs/dbraw/zinc/42/74/50/343427450.db2.gz DDCXFRWUTBWJBI-NWDGAFQWSA-N 2 1 196.338 2.012 10 0 AEAEMP CC(C)=CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 69626912 343427666 /nfs/dbraw/zinc/42/76/66/343427666.db2.gz DDCXFRWUTBWJBI-RYUDHWBXSA-N 2 1 196.338 2.012 10 0 AEAEMP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69626916 343427740 /nfs/dbraw/zinc/42/77/40/343427740.db2.gz DDCXFRWUTBWJBI-NEPJUHHUSA-N 2 1 196.338 2.012 10 0 AEAEMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(C)(C)C)C1 69724595 343437420 /nfs/dbraw/zinc/43/74/20/343437420.db2.gz JERUHDMPSYTJJX-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)=CC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] 69727045 343437531 /nfs/dbraw/zinc/43/75/31/343437531.db2.gz JKXRYBGPGOBSKG-NWDGAFQWSA-N 2 1 196.338 2.012 10 0 AEAEMP CC(C)=CC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] 69727045 343437533 /nfs/dbraw/zinc/43/75/33/343437533.db2.gz JKXRYBGPGOBSKG-NWDGAFQWSA-N 2 1 196.338 2.012 10 0 AEAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 69724588 343437583 /nfs/dbraw/zinc/43/75/83/343437583.db2.gz JERUHDMPSYTJJX-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(C)(C)C)C1 69724593 343437592 /nfs/dbraw/zinc/43/75/92/343437592.db2.gz JERUHDMPSYTJJX-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)=CC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] 69727041 343437640 /nfs/dbraw/zinc/43/76/40/343437640.db2.gz JKXRYBGPGOBSKG-VXGBXAGGSA-N 2 1 196.338 2.012 10 0 AEAEMP CC(C)=CC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] 69727041 343437642 /nfs/dbraw/zinc/43/76/42/343437642.db2.gz JKXRYBGPGOBSKG-VXGBXAGGSA-N 2 1 196.338 2.012 10 0 AEAEMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 69724590 343437839 /nfs/dbraw/zinc/43/78/39/343437839.db2.gz JERUHDMPSYTJJX-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)[C@H](C)[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 69727964 343438113 /nfs/dbraw/zinc/43/81/13/343438113.db2.gz QCSPIDJKTVSRHY-SDDRHHMPSA-N 2 1 198.354 2.090 10 0 AEAEMP CC(C)=CC[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C 69729032 343438316 /nfs/dbraw/zinc/43/83/16/343438316.db2.gz QVGYBWMKKQEPTP-RYUDHWBXSA-N 2 1 196.338 2.012 10 0 AEAEMP CC(C)[C@H](C)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C 69727961 343438353 /nfs/dbraw/zinc/43/83/53/343438353.db2.gz QCSPIDJKTVSRHY-GRYCIOLGSA-N 2 1 198.354 2.090 10 0 AEAEMP CC(C)[C@H](C)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C 69727966 343438415 /nfs/dbraw/zinc/43/84/15/343438415.db2.gz QCSPIDJKTVSRHY-WOPDTQHZSA-N 2 1 198.354 2.090 10 0 AEAEMP CC(C)=CC[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C 69729030 343438485 /nfs/dbraw/zinc/43/84/85/343438485.db2.gz QVGYBWMKKQEPTP-NEPJUHHUSA-N 2 1 196.338 2.012 10 0 AEAEMP CC(C)=CC[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 69729027 343438517 /nfs/dbraw/zinc/43/85/17/343438517.db2.gz QVGYBWMKKQEPTP-NWDGAFQWSA-N 2 1 196.338 2.012 10 0 AEAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CC(C)(C)C 69727706 343438561 /nfs/dbraw/zinc/43/85/61/343438561.db2.gz CRVBNUUMFHFCBZ-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CC(C)(C)C 69727699 343438593 /nfs/dbraw/zinc/43/85/93/343438593.db2.gz CRVBNUUMFHFCBZ-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1CCCCC[N@H+]1C1CC[NH2+]CC1 69944997 343459047 /nfs/dbraw/zinc/45/90/47/343459047.db2.gz LBHODMXKYHIUNL-NSHDSACASA-N 2 1 196.338 2.003 10 0 AEAEMP C[C@@H]1CCCCC[N@H+]1C1CC[NH2+]CC1 69944995 343459602 /nfs/dbraw/zinc/45/96/02/343459602.db2.gz LBHODMXKYHIUNL-LLVKDONJSA-N 2 1 196.338 2.003 10 0 AEAEMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C(C)(C)C)C1 70584693 343496986 /nfs/dbraw/zinc/49/69/86/343496986.db2.gz TZMZEDCTDKCNLJ-LLVKDONJSA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)[NH2+][C@@H]1CCC[N@H+](C(C)(C)C)C1 70584693 343496988 /nfs/dbraw/zinc/49/69/88/343496988.db2.gz TZMZEDCTDKCNLJ-LLVKDONJSA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)[NH2+][C@H]1CCC[N@@H+](C(C)(C)C)C1 70584694 343497358 /nfs/dbraw/zinc/49/73/58/343497358.db2.gz TZMZEDCTDKCNLJ-NSHDSACASA-N 2 1 198.354 2.247 10 0 AEAEMP CC(C)[NH2+][C@H]1CCC[N@H+](C(C)(C)C)C1 70584694 343497360 /nfs/dbraw/zinc/49/73/60/343497360.db2.gz TZMZEDCTDKCNLJ-NSHDSACASA-N 2 1 198.354 2.247 10 0 AEAEMP CC[NH2+][C@H]1CCC(C)(C)C[C@H]1[NH+](C)C 70622987 343505528 /nfs/dbraw/zinc/50/55/28/343505528.db2.gz MAZBNAFQIQAIOA-WDEREUQCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1[NH+](C)C 70622984 343505547 /nfs/dbraw/zinc/50/55/47/343505547.db2.gz MAZBNAFQIQAIOA-MNOVXSKESA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@H+](C)[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C 70623003 343505559 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DYTMJYAVXSQLHX-NSHDSACASA-N 2 1 196.338 2.132 10 0 AEAEMP CC(C)C[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 307252175 345923643 /nfs/dbraw/zinc/92/36/43/345923643.db2.gz RPYVYUVYPBIXQZ-RYUDHWBXSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)C[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 307252173 345923662 /nfs/dbraw/zinc/92/36/62/345923662.db2.gz RPYVYUVYPBIXQZ-NEPJUHHUSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)C[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 307252176 345923715 /nfs/dbraw/zinc/92/37/15/345923715.db2.gz RPYVYUVYPBIXQZ-VXGBXAGGSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[N@@H+]1CCCCC[C@@H]1C[C@@H](C)[NH3+] 307384586 346008491 /nfs/dbraw/zinc/00/84/91/346008491.db2.gz GOIPXIONLBCIHG-VXGBXAGGSA-N 2 1 198.354 2.377 10 0 AEAEMP CC(C)[N@@H+]1CCCCC[C@@H]1C[C@H](C)[NH3+] 307384584 346008500 /nfs/dbraw/zinc/00/85/00/346008500.db2.gz GOIPXIONLBCIHG-NWDGAFQWSA-N 2 1 198.354 2.377 10 0 AEAEMP CC(C)[N@@H+]1CCCCC[C@H]1C[C@H](C)[NH3+] 307384585 346008526 /nfs/dbraw/zinc/00/85/26/346008526.db2.gz GOIPXIONLBCIHG-RYUDHWBXSA-N 2 1 198.354 2.377 10 0 AEAEMP CC(C)[N@@H+]1CCCCC[C@H]1C[C@@H](C)[NH3+] 307384583 346008533 /nfs/dbraw/zinc/00/85/33/346008533.db2.gz GOIPXIONLBCIHG-NEPJUHHUSA-N 2 1 198.354 2.377 10 0 AEAEMP CC[C@H](C)[C@H](C)[N@H+]1CCC[C@H](N)[C@H]1C 307399946 346018347 /nfs/dbraw/zinc/01/83/47/346018347.db2.gz YBXQZXSELSEHJD-YFKTTZPYSA-N 2 1 198.354 2.233 10 0 AEAEMP CC[C@H](C)[C@H](C)[N@H+]1CCC[C@@H](N)[C@@H]1C 307399826 346018467 /nfs/dbraw/zinc/01/84/67/346018467.db2.gz YBXQZXSELSEHJD-FIQHERPVSA-N 2 1 198.354 2.233 10 0 AEAEMP CC[C@H](C)[C@H](C)[N@H+]1CCC[C@@H](N)[C@H]1C 307399828 346018530 /nfs/dbraw/zinc/01/85/30/346018530.db2.gz YBXQZXSELSEHJD-NNYUYHANSA-N 2 1 198.354 2.233 10 0 AEAEMP CC[C@H](C)[C@H](C)[N@H+]1CCC[C@H](N)[C@@H]1C 307399824 346018593 /nfs/dbraw/zinc/01/85/93/346018593.db2.gz YBXQZXSELSEHJD-BJDJZHNGSA-N 2 1 198.354 2.233 10 0 AEAEMP CNC1(C[N@H+]2CCCC2(C)C)CCC1 307554032 346109555 /nfs/dbraw/zinc/10/95/55/346109555.db2.gz WFQGNGAAIYIGTP-UHFFFAOYSA-N 2 1 196.338 2.003 10 0 AEAEMP C[NH2+]C1(CN2CCCC2(C)C)CCC1 307554032 346109557 /nfs/dbraw/zinc/10/95/57/346109557.db2.gz WFQGNGAAIYIGTP-UHFFFAOYSA-N 2 1 196.338 2.003 10 0 AEAEMP CC(C)CCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399030368 346597047 /nfs/dbraw/zinc/59/70/47/346597047.db2.gz LLYXIIBXELJAOO-NEPJUHHUSA-N 2 1 198.354 2.153 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399019350 346597100 /nfs/dbraw/zinc/59/71/00/346597100.db2.gz GJTBREILLIFCJD-FIQHERPVSA-N 2 1 198.354 2.151 10 0 AEAEMP CC(C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399013100 346597129 /nfs/dbraw/zinc/59/71/29/346597129.db2.gz CQCADTGWMVYLDH-WOPDTQHZSA-N 2 1 198.354 2.151 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399019348 346597143 /nfs/dbraw/zinc/59/71/43/346597143.db2.gz GJTBREILLIFCJD-BJDJZHNGSA-N 2 1 198.354 2.151 10 0 AEAEMP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C(C)C 399010695 346597199 /nfs/dbraw/zinc/59/71/99/346597199.db2.gz AQNQUIRCGMJRLE-TUAOUCFPSA-N 2 1 198.354 2.151 10 0 AEAEMP CC(C)CCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399030375 346597211 /nfs/dbraw/zinc/59/72/11/346597211.db2.gz LLYXIIBXELJAOO-VXGBXAGGSA-N 2 1 198.354 2.153 10 0 AEAEMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399013097 346597228 /nfs/dbraw/zinc/59/72/28/346597228.db2.gz CQCADTGWMVYLDH-GRYCIOLGSA-N 2 1 198.354 2.151 10 0 AEAEMP CC(C)CCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399030370 346597269 /nfs/dbraw/zinc/59/72/69/346597269.db2.gz LLYXIIBXELJAOO-NWDGAFQWSA-N 2 1 198.354 2.153 10 0 AEAEMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399013098 346597276 /nfs/dbraw/zinc/59/72/76/346597276.db2.gz CQCADTGWMVYLDH-SDDRHHMPSA-N 2 1 198.354 2.151 10 0 AEAEMP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C(C)C 399010495 346597284 /nfs/dbraw/zinc/59/72/84/346597284.db2.gz AQNQUIRCGMJRLE-SRVKXCTJSA-N 2 1 198.354 2.151 10 0 AEAEMP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C 399010698 346597323 /nfs/dbraw/zinc/59/73/23/346597323.db2.gz AQNQUIRCGMJRLE-UTUOFQBUSA-N 2 1 198.354 2.151 10 0 AEAEMP CC(C)CCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399030372 346597343 /nfs/dbraw/zinc/59/73/43/346597343.db2.gz LLYXIIBXELJAOO-RYUDHWBXSA-N 2 1 198.354 2.153 10 0 AEAEMP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C(C)C 399010699 346597367 /nfs/dbraw/zinc/59/73/67/346597367.db2.gz AQNQUIRCGMJRLE-WOPDTQHZSA-N 2 1 198.354 2.151 10 0 AEAEMP CCC(CC)C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399035517 346597373 /nfs/dbraw/zinc/59/73/73/346597373.db2.gz OJHRWBUQFOLQAI-CMPLNLGQSA-N 2 1 198.354 2.153 10 0 AEAEMP CC(C)C[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399013099 346597391 /nfs/dbraw/zinc/59/73/91/346597391.db2.gz CQCADTGWMVYLDH-SRVKXCTJSA-N 2 1 198.354 2.151 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399019354 346597402 /nfs/dbraw/zinc/59/74/02/346597402.db2.gz GJTBREILLIFCJD-WHOHXGKFSA-N 2 1 198.354 2.151 10 0 AEAEMP CCCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399044391 346597702 /nfs/dbraw/zinc/59/77/02/346597702.db2.gz UALBBAGYQMBTHQ-SRVKXCTJSA-N 2 1 198.354 2.295 10 0 AEAEMP CCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399044393 346597709 /nfs/dbraw/zinc/59/77/09/346597709.db2.gz UALBBAGYQMBTHQ-WOPDTQHZSA-N 2 1 198.354 2.295 10 0 AEAEMP C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)C)C[NH2+]1 399054947 346597730 /nfs/dbraw/zinc/59/77/30/346597730.db2.gz ZFKIIQQBNTVKML-MNOVXSKESA-N 2 1 198.354 2.153 10 0 AEAEMP C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C[NH2+]1 399054946 346597758 /nfs/dbraw/zinc/59/77/58/346597758.db2.gz ZFKIIQQBNTVKML-GHMZBOCLSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC(CC)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399035518 346597853 /nfs/dbraw/zinc/59/78/53/346597853.db2.gz OJHRWBUQFOLQAI-JQWIXIFHSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[C@H](CC)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399050209 346597862 /nfs/dbraw/zinc/59/78/62/346597862.db2.gz WNRFCMKOGMTODJ-SRVKXCTJSA-N 2 1 198.354 2.295 10 0 AEAEMP CCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399044389 346597971 /nfs/dbraw/zinc/59/79/71/346597971.db2.gz UALBBAGYQMBTHQ-SDDRHHMPSA-N 2 1 198.354 2.295 10 0 AEAEMP C[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C[NH2+]1 399054949 346597980 /nfs/dbraw/zinc/59/79/80/346597980.db2.gz ZFKIIQQBNTVKML-WDEREUQCSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399050205 346598061 /nfs/dbraw/zinc/59/80/61/346598061.db2.gz WNRFCMKOGMTODJ-GRYCIOLGSA-N 2 1 198.354 2.295 10 0 AEAEMP CCC(CC)C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399035521 346598098 /nfs/dbraw/zinc/59/80/98/346598098.db2.gz OJHRWBUQFOLQAI-ZYHUDNBSSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[C@H](CC)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399050210 346598114 /nfs/dbraw/zinc/59/81/14/346598114.db2.gz WNRFCMKOGMTODJ-WOPDTQHZSA-N 2 1 198.354 2.295 10 0 AEAEMP C[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)C[NH2+]1 399054948 346598177 /nfs/dbraw/zinc/59/81/77/346598177.db2.gz ZFKIIQQBNTVKML-QWRGUYRKSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[C@H](CC)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399050207 346598193 /nfs/dbraw/zinc/59/81/93/346598193.db2.gz WNRFCMKOGMTODJ-SDDRHHMPSA-N 2 1 198.354 2.295 10 0 AEAEMP CCC(CC)C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399035520 346598257 /nfs/dbraw/zinc/59/82/57/346598257.db2.gz OJHRWBUQFOLQAI-PWSUYJOCSA-N 2 1 198.354 2.153 10 0 AEAEMP CCCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 605150912 346968948 /nfs/dbraw/zinc/96/89/48/346968948.db2.gz BSJITCJGSXJALJ-GFCCVEGCSA-N 2 1 198.354 2.060 10 0 AEAEMP CCCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 605150913 346969193 /nfs/dbraw/zinc/96/91/93/346969193.db2.gz BSJITCJGSXJALJ-LBPRGKRZSA-N 2 1 198.354 2.060 10 0 AEAEMP CCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 607739265 346995351 /nfs/dbraw/zinc/99/53/51/346995351.db2.gz QNGGWLYPLDPEKO-NWDGAFQWSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 607739265 346995356 /nfs/dbraw/zinc/99/53/56/346995356.db2.gz QNGGWLYPLDPEKO-NWDGAFQWSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 607739265 346995359 /nfs/dbraw/zinc/99/53/59/346995359.db2.gz QNGGWLYPLDPEKO-NWDGAFQWSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 607739267 346995523 /nfs/dbraw/zinc/99/55/23/346995523.db2.gz QNGGWLYPLDPEKO-VXGBXAGGSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 607739267 346995526 /nfs/dbraw/zinc/99/55/26/346995526.db2.gz QNGGWLYPLDPEKO-VXGBXAGGSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 607739267 346995527 /nfs/dbraw/zinc/99/55/27/346995527.db2.gz QNGGWLYPLDPEKO-VXGBXAGGSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 607739267 346995530 /nfs/dbraw/zinc/99/55/30/346995530.db2.gz QNGGWLYPLDPEKO-VXGBXAGGSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 607739261 346995753 /nfs/dbraw/zinc/99/57/53/346995753.db2.gz QNGGWLYPLDPEKO-NEPJUHHUSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 607739261 346995757 /nfs/dbraw/zinc/99/57/57/346995757.db2.gz QNGGWLYPLDPEKO-NEPJUHHUSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 607739261 346995761 /nfs/dbraw/zinc/99/57/61/346995761.db2.gz QNGGWLYPLDPEKO-NEPJUHHUSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 607739261 346995765 /nfs/dbraw/zinc/99/57/65/346995765.db2.gz QNGGWLYPLDPEKO-NEPJUHHUSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 607739266 346995958 /nfs/dbraw/zinc/99/59/58/346995958.db2.gz QNGGWLYPLDPEKO-RYUDHWBXSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 607739266 346995960 /nfs/dbraw/zinc/99/59/60/346995960.db2.gz QNGGWLYPLDPEKO-RYUDHWBXSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 607739266 346995963 /nfs/dbraw/zinc/99/59/63/346995963.db2.gz QNGGWLYPLDPEKO-RYUDHWBXSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 607739266 346995965 /nfs/dbraw/zinc/99/59/65/346995965.db2.gz QNGGWLYPLDPEKO-RYUDHWBXSA-N 2 1 198.354 2.201 10 0 AEAEMP CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C 608500903 347008985 /nfs/dbraw/zinc/00/89/85/347008985.db2.gz FWTCAYRSWUDHJL-GFCCVEGCSA-N 2 1 198.354 2.203 10 0 AEAEMP CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C 608500903 347008986 /nfs/dbraw/zinc/00/89/86/347008986.db2.gz FWTCAYRSWUDHJL-GFCCVEGCSA-N 2 1 198.354 2.203 10 0 AEAEMP CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C 608500903 347008987 /nfs/dbraw/zinc/00/89/87/347008987.db2.gz FWTCAYRSWUDHJL-GFCCVEGCSA-N 2 1 198.354 2.203 10 0 AEAEMP CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C 608500904 347009082 /nfs/dbraw/zinc/00/90/82/347009082.db2.gz FWTCAYRSWUDHJL-LBPRGKRZSA-N 2 1 198.354 2.203 10 0 AEAEMP CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C 608500904 347009085 /nfs/dbraw/zinc/00/90/85/347009085.db2.gz FWTCAYRSWUDHJL-LBPRGKRZSA-N 2 1 198.354 2.203 10 0 AEAEMP CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C 608500904 347009087 /nfs/dbraw/zinc/00/90/87/347009087.db2.gz FWTCAYRSWUDHJL-LBPRGKRZSA-N 2 1 198.354 2.203 10 0 AEAEMP C[NH+](C)[C@@H]1CCC[N@H+](C(C)(C)C)CC1 616600232 347109136 /nfs/dbraw/zinc/10/91/36/347109136.db2.gz AOKWPXDIOURNGQ-LLVKDONJSA-N 2 1 198.354 2.201 10 0 AEAEMP C[NH+](C)[C@H]1CCC[N@H+](C(C)(C)C)CC1 616626749 347130211 /nfs/dbraw/zinc/13/02/11/347130211.db2.gz AOKWPXDIOURNGQ-NSHDSACASA-N 2 1 198.354 2.201 10 0 AEAEMP C[N@H+]1CC[C@H]([NH2+]C2CCC2)CC1(C)C 623409440 347256783 /nfs/dbraw/zinc/25/67/83/347256783.db2.gz BLROQBVINBAPAU-NSHDSACASA-N 2 1 196.338 2.001 10 0 AEAEMP C[N@H+]1CC[C@@H]([NH2+]C2CCC2)CC1(C)C 623409439 347257012 /nfs/dbraw/zinc/25/70/12/347257012.db2.gz BLROQBVINBAPAU-LLVKDONJSA-N 2 1 196.338 2.001 10 0 AEAEMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 623740179 347262577 /nfs/dbraw/zinc/26/25/77/347262577.db2.gz OHSZSIZHCAFTTI-MVIFTORASA-N 2 1 196.338 2.025 10 0 AEAEMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 623740178 347262405 /nfs/dbraw/zinc/26/24/05/347262405.db2.gz OHSZSIZHCAFTTI-ISALQUGTSA-N 2 1 196.338 2.025 10 0 AEAEMP C/C=C\C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 623740177 347262716 /nfs/dbraw/zinc/26/27/16/347262716.db2.gz OHSZSIZHCAFTTI-GZTOBOFZSA-N 2 1 196.338 2.025 10 0 AEAEMP C/C=C/C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 623740180 347262795 /nfs/dbraw/zinc/26/27/95/347262795.db2.gz OHSZSIZHCAFTTI-QRGHLMKCSA-N 2 1 196.338 2.025 10 0 AEAEMP CCC[C@H](C)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 629395343 347341889 /nfs/dbraw/zinc/34/18/89/347341889.db2.gz PILKKNRHUPNKJF-SRVKXCTJSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[C@H](C)C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 629395345 347341893 /nfs/dbraw/zinc/34/18/93/347341893.db2.gz PILKKNRHUPNKJF-TUAOUCFPSA-N 2 1 198.354 2.153 10 0 AEAEMP CCC[C@H](C)CCC[N@@H+]1CC[C@@H]([NH3+])C1 629505866 347345143 /nfs/dbraw/zinc/34/51/43/347345143.db2.gz POIRRCPUPYKGAL-NWDGAFQWSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)CCC[N@H+]1CC[C@@H]([NH3+])C1 629505867 347345362 /nfs/dbraw/zinc/34/53/62/347345362.db2.gz POIRRCPUPYKGAL-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)CCC[N@@H+]1CC[C@@H]([NH3+])C1 629505867 347345357 /nfs/dbraw/zinc/34/53/57/347345357.db2.gz POIRRCPUPYKGAL-VXGBXAGGSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@H](C)CCC[N@@H+]1CC[C@H]([NH3+])C1 629512179 347345374 /nfs/dbraw/zinc/34/53/74/347345374.db2.gz POIRRCPUPYKGAL-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@H](C)CCC[N@H+]1CC[C@H]([NH3+])C1 629512179 347345376 /nfs/dbraw/zinc/34/53/76/347345376.db2.gz POIRRCPUPYKGAL-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)CCC[N@@H+]1CC[C@H]([NH3+])C1 629512178 347345551 /nfs/dbraw/zinc/34/55/51/347345551.db2.gz POIRRCPUPYKGAL-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@@H](C)CCC[N@H+]1CC[C@H]([NH3+])C1 629512178 347345554 /nfs/dbraw/zinc/34/55/54/347345554.db2.gz POIRRCPUPYKGAL-NEPJUHHUSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC[C@H](C)CCC[N@H+](C)CC[NH3+] 629538401 347346284 /nfs/dbraw/zinc/34/62/84/347346284.db2.gz LXLZWIXAEOPZNT-NSHDSACASA-N 2 1 186.343 2.093 10 0 AEAEMP CCC[C@H](C)CCC[N@@H+](C)CC[NH3+] 629538401 347346287 /nfs/dbraw/zinc/34/62/87/347346287.db2.gz LXLZWIXAEOPZNT-NSHDSACASA-N 2 1 186.343 2.093 10 0 AEAEMP CCC[C@@H](C)CCC[N@H+](C)CC[NH3+] 629538393 347346531 /nfs/dbraw/zinc/34/65/31/347346531.db2.gz LXLZWIXAEOPZNT-LLVKDONJSA-N 2 1 186.343 2.093 10 0 AEAEMP CCC[C@@H](C)CCC[N@@H+](C)CC[NH3+] 629538393 347346533 /nfs/dbraw/zinc/34/65/33/347346533.db2.gz LXLZWIXAEOPZNT-LLVKDONJSA-N 2 1 186.343 2.093 10 0 AEAEMP CC1(C)CCC(C)(C)[N@@H+](CCC[NH3+])C1 629547021 347348058 /nfs/dbraw/zinc/34/80/58/347348058.db2.gz RAGAXULSCRTBNF-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CCC(C)(C)CC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 631860906 347392349 /nfs/dbraw/zinc/39/23/49/347392349.db2.gz RHVSTURBGOVYRS-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)CC[N@H+]1C[C@H]([NH3+])C[C@H]1C 631860906 347392353 /nfs/dbraw/zinc/39/23/53/347392353.db2.gz RHVSTURBGOVYRS-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)CC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 631860909 347392520 /nfs/dbraw/zinc/39/25/20/347392520.db2.gz RHVSTURBGOVYRS-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)CC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 631860909 347392525 /nfs/dbraw/zinc/39/25/25/347392525.db2.gz RHVSTURBGOVYRS-WDEREUQCSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)CC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 631860907 347392578 /nfs/dbraw/zinc/39/25/78/347392578.db2.gz RHVSTURBGOVYRS-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)CC[N@H+]1C[C@@H]([NH3+])C[C@H]1C 631860907 347392582 /nfs/dbraw/zinc/39/25/82/347392582.db2.gz RHVSTURBGOVYRS-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)CC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 631860908 347392673 /nfs/dbraw/zinc/39/26/73/347392673.db2.gz RHVSTURBGOVYRS-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)CC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 631860908 347392677 /nfs/dbraw/zinc/39/26/77/347392677.db2.gz RHVSTURBGOVYRS-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@@H]1CCC[N@H+]1CC1([NH3+])CCCCC1 37911192 351476065 /nfs/dbraw/zinc/47/60/65/351476065.db2.gz UCDVNUBIAPRTLS-LLVKDONJSA-N 2 1 196.338 2.132 10 0 AEAEMP C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 37911094 351476077 /nfs/dbraw/zinc/47/60/77/351476077.db2.gz GHQVDQKNCAECTJ-NEPJUHHUSA-N 2 1 196.338 2.003 10 0 AEAEMP C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]1 42171736 351519457 /nfs/dbraw/zinc/51/94/57/351519457.db2.gz ZBOCIOKZFPCYAP-NEPJUHHUSA-N 2 1 196.338 2.003 10 0 AEAEMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH3+])[C@H](C)C1 51748476 351559526 /nfs/dbraw/zinc/55/95/26/351559526.db2.gz MXKCWCGOIMOZLA-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)C[C@@H]1C[N@H+](C(C)C)CCC[NH2+]1 62568400 351588723 /nfs/dbraw/zinc/58/87/23/351588723.db2.gz FNQMQGFNLVDEPH-GFCCVEGCSA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)C[C@H]1C[N@H+](C(C)C)CCC[NH2+]1 62568401 351588873 /nfs/dbraw/zinc/58/88/73/351588873.db2.gz FNQMQGFNLVDEPH-LBPRGKRZSA-N 2 1 198.354 2.105 10 0 AEAEMP C[C@H]([NH3+])[C@@H](C)C[N@H+]1[C@@H](C)CCC[C@H]1C 134196248 351738833 /nfs/dbraw/zinc/73/88/33/351738833.db2.gz PLILGVPWAKGRBJ-YFKTTZPYSA-N 2 1 198.354 2.233 10 0 AEAEMP C[C@H]([NH3+])[C@H](C)C[N@H+]1[C@@H](C)CCC[C@H]1C 134196074 351738793 /nfs/dbraw/zinc/73/87/93/351738793.db2.gz PLILGVPWAKGRBJ-WYUUTHIRSA-N 2 1 198.354 2.233 10 0 AEAEMP CC(C)C[N@H+]1CCCC[C@@H]1C(C)(C)N 201169666 351781174 /nfs/dbraw/zinc/78/11/74/351781174.db2.gz NZGYAZPMZVKLDP-LLVKDONJSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)C[N@H+]1CCCC[C@H]1C(C)(C)N 201169700 351781183 /nfs/dbraw/zinc/78/11/83/351781183.db2.gz NZGYAZPMZVKLDP-NSHDSACASA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)CC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 258810562 351867549 /nfs/dbraw/zinc/86/75/49/351867549.db2.gz NXCXXYWPDWQLJT-NSHDSACASA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)CC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 258810556 351867701 /nfs/dbraw/zinc/86/77/01/351867701.db2.gz NXCXXYWPDWQLJT-LLVKDONJSA-N 2 1 198.354 2.092 10 0 AEAEMP C[NH2+]C1CCC([N@@H+](C)C(C)(C)C)CC1 259203040 351870902 /nfs/dbraw/zinc/87/09/02/351870902.db2.gz JCHNFKNQSUEJGP-UHFFFAOYSA-N 2 1 198.354 2.247 10 0 AEAEMP C[C@@H]1CC[C@@H]([NH2+][C@H](C)C(C)(C)C)C[NH2+]1 307387011 352009124 /nfs/dbraw/zinc/00/91/24/352009124.db2.gz KZBHZOKMYGHUGD-GMTAPVOTSA-N 2 1 198.354 2.151 10 0 AEAEMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C 307387013 352009161 /nfs/dbraw/zinc/00/91/61/352009161.db2.gz KZBHZOKMYGHUGD-OUAUKWLOSA-N 2 1 198.354 2.151 10 0 AEAEMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C 307387014 352009214 /nfs/dbraw/zinc/00/92/14/352009214.db2.gz KZBHZOKMYGHUGD-VWYCJHECSA-N 2 1 198.354 2.151 10 0 AEAEMP C[C@@H]1CC[C@H]([NH2+][C@H](C)C(C)(C)C)C[NH2+]1 307387012 352009246 /nfs/dbraw/zinc/00/92/46/352009246.db2.gz KZBHZOKMYGHUGD-MXWKQRLJSA-N 2 1 198.354 2.151 10 0 AEAEMP C[C@@H]1CC[C@H]([NH2+]C2CCCCC2)C[NH2+]1 307416475 352011796 /nfs/dbraw/zinc/01/17/96/352011796.db2.gz KGRYVBIXWUJUEJ-PWSUYJOCSA-N 2 1 196.338 2.049 10 0 AEAEMP C[C@H]1CC[C@@H]([NH2+]C2CCCCC2)C[NH2+]1 307416467 352011810 /nfs/dbraw/zinc/01/18/10/352011810.db2.gz KGRYVBIXWUJUEJ-CMPLNLGQSA-N 2 1 196.338 2.049 10 0 AEAEMP C[C@@H]1CC[C@@H]([NH2+]C2CCCCC2)C[NH2+]1 307416479 352011846 /nfs/dbraw/zinc/01/18/46/352011846.db2.gz KGRYVBIXWUJUEJ-ZYHUDNBSSA-N 2 1 196.338 2.049 10 0 AEAEMP C[C@H]1CC[C@H]([NH2+]C2CCCCC2)C[NH2+]1 307416471 352011904 /nfs/dbraw/zinc/01/19/04/352011904.db2.gz KGRYVBIXWUJUEJ-JQWIXIFHSA-N 2 1 196.338 2.049 10 0 AEAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCC(C)(C)C 308565735 352053206 /nfs/dbraw/zinc/05/32/06/352053206.db2.gz APXSVSPGRAKYCR-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 336210180 352130051 /nfs/dbraw/zinc/13/00/51/352130051.db2.gz DZIILMXAENPUFU-RYUDHWBXSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 336210181 352129867 /nfs/dbraw/zinc/12/98/67/352129867.db2.gz DZIILMXAENPUFU-VXGBXAGGSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 336210181 352129870 /nfs/dbraw/zinc/12/98/70/352129870.db2.gz DZIILMXAENPUFU-VXGBXAGGSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 336210181 352129873 /nfs/dbraw/zinc/12/98/73/352129873.db2.gz DZIILMXAENPUFU-VXGBXAGGSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 336210181 352129877 /nfs/dbraw/zinc/12/98/77/352129877.db2.gz DZIILMXAENPUFU-VXGBXAGGSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 336210180 352130047 /nfs/dbraw/zinc/13/00/47/352130047.db2.gz DZIILMXAENPUFU-RYUDHWBXSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 336210180 352130053 /nfs/dbraw/zinc/13/00/53/352130053.db2.gz DZIILMXAENPUFU-RYUDHWBXSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 336210180 352130057 /nfs/dbraw/zinc/13/00/57/352130057.db2.gz DZIILMXAENPUFU-RYUDHWBXSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 336210179 352130189 /nfs/dbraw/zinc/13/01/89/352130189.db2.gz DZIILMXAENPUFU-NWDGAFQWSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 336210179 352130190 /nfs/dbraw/zinc/13/01/90/352130190.db2.gz DZIILMXAENPUFU-NWDGAFQWSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 336210179 352130191 /nfs/dbraw/zinc/13/01/91/352130191.db2.gz DZIILMXAENPUFU-NWDGAFQWSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 336210179 352130192 /nfs/dbraw/zinc/13/01/92/352130192.db2.gz DZIILMXAENPUFU-NWDGAFQWSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 336210178 352130318 /nfs/dbraw/zinc/13/03/18/352130318.db2.gz DZIILMXAENPUFU-NEPJUHHUSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 336210178 352130322 /nfs/dbraw/zinc/13/03/22/352130322.db2.gz DZIILMXAENPUFU-NEPJUHHUSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 336210178 352130325 /nfs/dbraw/zinc/13/03/25/352130325.db2.gz DZIILMXAENPUFU-NEPJUHHUSA-N 2 1 198.354 2.057 10 0 AEAEMP CC(C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 336210178 352130329 /nfs/dbraw/zinc/13/03/29/352130329.db2.gz DZIILMXAENPUFU-NEPJUHHUSA-N 2 1 198.354 2.057 10 0 AEAEMP CCC(C)(C)CC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 643074094 352936594 /nfs/dbraw/zinc/93/65/94/352936594.db2.gz PZORCSZOTXCMAV-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC(C)(C)CC[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 643074093 352936724 /nfs/dbraw/zinc/93/67/24/352936724.db2.gz PZORCSZOTXCMAV-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC(C)(C)CC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 643074092 352936773 /nfs/dbraw/zinc/93/67/73/352936773.db2.gz PZORCSZOTXCMAV-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP CCC(C)(C)CC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 643074091 352936888 /nfs/dbraw/zinc/93/68/88/352936888.db2.gz PZORCSZOTXCMAV-GHMZBOCLSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC(C)(C)CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C 643075357 352936909 /nfs/dbraw/zinc/93/69/09/352936909.db2.gz DGDGFDNGVNHUOZ-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643485118 352962492 /nfs/dbraw/zinc/96/24/92/352962492.db2.gz AQPQIYGRKOXJPZ-WDEREUQCSA-N 2 1 198.354 2.010 10 0 AEAEMP CCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643485115 352962944 /nfs/dbraw/zinc/96/29/44/352962944.db2.gz AQPQIYGRKOXJPZ-GHMZBOCLSA-N 2 1 198.354 2.010 10 0 AEAEMP C[C@@H]([NH2+]CC[NH3+])[C@H](C)C1CCCCC1 643495725 352969238 /nfs/dbraw/zinc/96/92/38/352969238.db2.gz PWCPVXIJDZXUKF-WDEREUQCSA-N 2 1 198.354 2.140 10 0 AEAEMP C[C@H]([NH2+]CC[NH3+])[C@H](C)C1CCCCC1 643495724 352969310 /nfs/dbraw/zinc/96/93/10/352969310.db2.gz PWCPVXIJDZXUKF-QWRGUYRKSA-N 2 1 198.354 2.140 10 0 AEAEMP C[C@@H](C1CCCCC1)[C@@H](C)[NH2+]CC[NH3+] 643495722 352969357 /nfs/dbraw/zinc/96/93/57/352969357.db2.gz PWCPVXIJDZXUKF-GHMZBOCLSA-N 2 1 198.354 2.140 10 0 AEAEMP C[C@H]([NH2+]CC[NH3+])[C@@H](C)C1CCCCC1 643495723 352969621 /nfs/dbraw/zinc/96/96/21/352969621.db2.gz PWCPVXIJDZXUKF-MNOVXSKESA-N 2 1 198.354 2.140 10 0 AEAEMP C[NH2+]CC[NH2+][C@@H](C)CCC(C)(C)C 643504694 352976968 /nfs/dbraw/zinc/97/69/68/352976968.db2.gz YQCSDELZXUFBRD-JTQLQIEISA-N 2 1 186.343 2.010 10 0 AEAEMP C[NH2+]CC[NH2+][C@@H](C)C1CCCCCC1 643504818 352977007 /nfs/dbraw/zinc/97/70/07/352977007.db2.gz ULEDXKCPPNBKEO-NSHDSACASA-N 2 1 198.354 2.154 10 0 AEAEMP C[NH2+]CC[NH2+][C@H](C)CCC(C)(C)C 643504695 352977053 /nfs/dbraw/zinc/97/70/53/352977053.db2.gz YQCSDELZXUFBRD-SNVBAGLBSA-N 2 1 186.343 2.010 10 0 AEAEMP C[NH2+]CC[NH2+][C@H](C)C1CCCCCC1 643504817 352977216 /nfs/dbraw/zinc/97/72/16/352977216.db2.gz ULEDXKCPPNBKEO-LLVKDONJSA-N 2 1 198.354 2.154 10 0 AEAEMP CC[NH2+]CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C 643505438 352977564 /nfs/dbraw/zinc/97/75/64/352977564.db2.gz ICDCLVRYWMLVJD-QWRGUYRKSA-N 2 1 198.354 2.010 10 0 AEAEMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C 643505436 352977978 /nfs/dbraw/zinc/97/79/78/352977978.db2.gz ICDCLVRYWMLVJD-GHMZBOCLSA-N 2 1 198.354 2.010 10 0 AEAEMP CC[NH2+]CC[NH2+][C@H]1CC[C@H]1C(C)(C)C 643505437 352977986 /nfs/dbraw/zinc/97/79/86/352977986.db2.gz ICDCLVRYWMLVJD-MNOVXSKESA-N 2 1 198.354 2.010 10 0 AEAEMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 643505439 352978249 /nfs/dbraw/zinc/97/82/49/352978249.db2.gz ICDCLVRYWMLVJD-WDEREUQCSA-N 2 1 198.354 2.010 10 0 AEAEMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1C[C@H]1C 643514650 352985190 /nfs/dbraw/zinc/98/51/90/352985190.db2.gz JQAFSIQKJMZFMX-KKOKHZNYSA-N 2 1 198.354 2.138 10 0 AEAEMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1C[C@H]1C 643514648 352985424 /nfs/dbraw/zinc/98/54/24/352985424.db2.gz JQAFSIQKJMZFMX-DDHJBXDOSA-N 2 1 198.354 2.138 10 0 AEAEMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 643514509 352985533 /nfs/dbraw/zinc/98/55/33/352985533.db2.gz IADNMKAWEFFDRV-WRWGMCAJSA-N 2 1 198.354 2.138 10 0 AEAEMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1C[C@@H]1C 643514651 352985548 /nfs/dbraw/zinc/98/55/48/352985548.db2.gz JQAFSIQKJMZFMX-QCNOEVLYSA-N 2 1 198.354 2.138 10 0 AEAEMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)[C@H]1C 643514507 352985619 /nfs/dbraw/zinc/98/56/19/352985619.db2.gz IADNMKAWEFFDRV-IRCOFANPSA-N 2 1 198.354 2.138 10 0 AEAEMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)[C@H]1C 643514506 352985680 /nfs/dbraw/zinc/98/56/80/352985680.db2.gz IADNMKAWEFFDRV-DDHJBXDOSA-N 2 1 198.354 2.138 10 0 AEAEMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)[C@@H]1C 643514508 352985781 /nfs/dbraw/zinc/98/57/81/352985781.db2.gz IADNMKAWEFFDRV-NNYUYHANSA-N 2 1 198.354 2.138 10 0 AEAEMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1C[C@@H]1C 643514649 352985870 /nfs/dbraw/zinc/98/58/70/352985870.db2.gz JQAFSIQKJMZFMX-IRCOFANPSA-N 2 1 198.354 2.138 10 0 AEAEMP CCC[NH2+]CC[NH2+]C1CC(C(C)C)C1 643515148 352986472 /nfs/dbraw/zinc/98/64/72/352986472.db2.gz NVAQDRHRHCIIOD-UHFFFAOYSA-N 2 1 198.354 2.010 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 319062283 371785038 /nfs/dbraw/zinc/78/50/38/371785038.db2.gz XEHLMGVCUXYTLF-NNYUYHANSA-N 2 1 198.354 2.151 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C 319609929 371788822 /nfs/dbraw/zinc/78/88/22/371788822.db2.gz XEHLMGVCUXYTLF-BJDJZHNGSA-N 2 1 198.354 2.151 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C 319609935 371789202 /nfs/dbraw/zinc/78/92/02/371789202.db2.gz XEHLMGVCUXYTLF-YFKTTZPYSA-N 2 1 198.354 2.151 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C 319609932 371789319 /nfs/dbraw/zinc/78/93/19/371789319.db2.gz XEHLMGVCUXYTLF-FIQHERPVSA-N 2 1 198.354 2.151 10 0 AEAEMP C[NH2+][C@@H](CC(C)C)C[NH+]1CCCCC1 328207823 371797044 /nfs/dbraw/zinc/79/70/44/371797044.db2.gz VLWGPJPBIAEUJU-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@@H]1C 645219025 371954218 /nfs/dbraw/zinc/95/42/18/371954218.db2.gz RHZGSGNHSUADDY-RYUDHWBXSA-N 2 1 198.354 2.059 10 0 AEAEMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)[C@H]1C 645219024 371954020 /nfs/dbraw/zinc/95/40/20/371954020.db2.gz RHZGSGNHSUADDY-NWDGAFQWSA-N 2 1 198.354 2.059 10 0 AEAEMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@H]1C 645219024 371954023 /nfs/dbraw/zinc/95/40/23/371954023.db2.gz RHZGSGNHSUADDY-NWDGAFQWSA-N 2 1 198.354 2.059 10 0 AEAEMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)[C@@H]1C 645219025 371954214 /nfs/dbraw/zinc/95/42/14/371954214.db2.gz RHZGSGNHSUADDY-RYUDHWBXSA-N 2 1 198.354 2.059 10 0 AEAEMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)[C@H]1C 645219026 371954361 /nfs/dbraw/zinc/95/43/61/371954361.db2.gz RHZGSGNHSUADDY-VXGBXAGGSA-N 2 1 198.354 2.059 10 0 AEAEMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)[C@H]1C 645219026 371954364 /nfs/dbraw/zinc/95/43/64/371954364.db2.gz RHZGSGNHSUADDY-VXGBXAGGSA-N 2 1 198.354 2.059 10 0 AEAEMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)[C@@H]1C 645219023 371954466 /nfs/dbraw/zinc/95/44/66/371954466.db2.gz RHZGSGNHSUADDY-NEPJUHHUSA-N 2 1 198.354 2.059 10 0 AEAEMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)[C@@H]1C 645219023 371954468 /nfs/dbraw/zinc/95/44/68/371954468.db2.gz RHZGSGNHSUADDY-NEPJUHHUSA-N 2 1 198.354 2.059 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 318950210 375478252 /nfs/dbraw/zinc/47/82/52/375478252.db2.gz CUVJCGPMXWMGLH-FIQHERPVSA-N 2 1 198.354 2.009 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C 318950211 375478344 /nfs/dbraw/zinc/47/83/44/375478344.db2.gz CUVJCGPMXWMGLH-USZNOCQGSA-N 2 1 198.354 2.009 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C 318950212 375478753 /nfs/dbraw/zinc/47/87/53/375478753.db2.gz CUVJCGPMXWMGLH-WHOHXGKFSA-N 2 1 198.354 2.009 10 0 AEAEMP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C 318950209 375479127 /nfs/dbraw/zinc/47/91/27/375479127.db2.gz CUVJCGPMXWMGLH-BJDJZHNGSA-N 2 1 198.354 2.009 10 0 AEAEMP C[NH+]1CCC[C@H]1CC[N@H+](C)C(C)(C)C 647908312 375675199 /nfs/dbraw/zinc/67/51/99/375675199.db2.gz AKTAOCDUSAXSJS-NSHDSACASA-N 2 1 198.354 2.201 10 0 AEAEMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C 647908312 375675206 /nfs/dbraw/zinc/67/52/06/375675206.db2.gz AKTAOCDUSAXSJS-NSHDSACASA-N 2 1 198.354 2.201 10 0 AEAEMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)(C)C 647908312 375675210 /nfs/dbraw/zinc/67/52/10/375675210.db2.gz AKTAOCDUSAXSJS-NSHDSACASA-N 2 1 198.354 2.201 10 0 AEAEMP C[NH+]1CCC[C@@H]1CC[N@H+](C)C(C)(C)C 647908311 375675490 /nfs/dbraw/zinc/67/54/90/375675490.db2.gz AKTAOCDUSAXSJS-LLVKDONJSA-N 2 1 198.354 2.201 10 0 AEAEMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)(C)C 647908311 375675497 /nfs/dbraw/zinc/67/54/97/375675497.db2.gz AKTAOCDUSAXSJS-LLVKDONJSA-N 2 1 198.354 2.201 10 0 AEAEMP C[NH+](CC[C@H]1CCC[N@H+]1C)C(C)(C)C 647908311 375675502 /nfs/dbraw/zinc/67/55/02/375675502.db2.gz AKTAOCDUSAXSJS-LLVKDONJSA-N 2 1 198.354 2.201 10 0 AEAEMP CCCC[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40746587 409345765 /nfs/dbraw/zinc/34/57/65/409345765.db2.gz VJBKSPGEJPRIGS-FOSCPWQOSA-N 2 1 196.338 2.001 10 0 AEAEMP CCC[C@H](C)C[N@@H+](C)C1CC[NH2+]CC1 51322786 409381552 /nfs/dbraw/zinc/38/15/52/409381552.db2.gz BXLUIKJLEDWRLL-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C)C[N@@H+](C)C1CC[NH2+]CC1 51322785 409381672 /nfs/dbraw/zinc/38/16/72/409381672.db2.gz BXLUIKJLEDWRLL-LLVKDONJSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCC[N@@H+](CC)C[C@]1(C)CC[NH2+]C1 62910869 409404289 /nfs/dbraw/zinc/40/42/89/409404289.db2.gz CSPJCEZBHDRQFP-GFCCVEGCSA-N 2 1 198.354 2.108 10 0 AEAEMP CC[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C 63073488 409404325 /nfs/dbraw/zinc/40/43/25/409404325.db2.gz BEKVCEIQBBGDMF-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C 63073488 409404329 /nfs/dbraw/zinc/40/43/29/409404329.db2.gz BEKVCEIQBBGDMF-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911246 409404362 /nfs/dbraw/zinc/40/43/62/409404362.db2.gz PICUADMGBHUUTI-NWDGAFQWSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C 63073489 409404772 /nfs/dbraw/zinc/40/47/72/409404772.db2.gz BEKVCEIQBBGDMF-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C 63073489 409404778 /nfs/dbraw/zinc/40/47/78/409404778.db2.gz BEKVCEIQBBGDMF-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCCC[N@@H+](CC)C[C@@]1(C)CC[NH2+]C1 62910870 409405030 /nfs/dbraw/zinc/40/50/30/409405030.db2.gz CSPJCEZBHDRQFP-LBPRGKRZSA-N 2 1 198.354 2.108 10 0 AEAEMP CCC[C@@H](C)C[N@@H+](C)CC(C)(C)N 656782312 409450482 /nfs/dbraw/zinc/45/04/82/409450482.db2.gz DXJPQRAMYQVFMF-SNVBAGLBSA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[C@@H](C)CN(C)CC(C)(C)[NH3+] 656782312 409450487 /nfs/dbraw/zinc/45/04/87/409450487.db2.gz DXJPQRAMYQVFMF-SNVBAGLBSA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[C@H](C)C[N@@H+](C)CC(C)(C)N 656782311 409451155 /nfs/dbraw/zinc/45/11/55/409451155.db2.gz DXJPQRAMYQVFMF-JTQLQIEISA-N 2 1 186.343 2.092 10 0 AEAEMP CCC[C@H](C)CN(C)CC(C)(C)[NH3+] 656782311 409451158 /nfs/dbraw/zinc/45/11/58/409451158.db2.gz DXJPQRAMYQVFMF-JTQLQIEISA-N 2 1 186.343 2.092 10 0 AEAEMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 106876326 409456664 /nfs/dbraw/zinc/45/66/64/409456664.db2.gz LLEKVYRUYVEBSJ-QWRGUYRKSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 106876322 409457005 /nfs/dbraw/zinc/45/70/05/409457005.db2.gz LLEKVYRUYVEBSJ-WDEREUQCSA-N 2 1 198.354 2.247 10 0 AEAEMP CCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 106876303 409457021 /nfs/dbraw/zinc/45/70/21/409457021.db2.gz FJDQSJDVHRBIEN-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 106876315 409457505 /nfs/dbraw/zinc/45/75/05/409457505.db2.gz GQYKYWJXMAGLHU-NSHDSACASA-N 2 1 198.354 2.105 10 0 AEAEMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 106876311 409457542 /nfs/dbraw/zinc/45/75/42/409457542.db2.gz GQYKYWJXMAGLHU-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 106876308 409457568 /nfs/dbraw/zinc/45/75/68/409457568.db2.gz FJDQSJDVHRBIEN-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 106876319 409457687 /nfs/dbraw/zinc/45/76/87/409457687.db2.gz LLEKVYRUYVEBSJ-GHMZBOCLSA-N 2 1 198.354 2.247 10 0 AEAEMP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 106876325 409457877 /nfs/dbraw/zinc/45/78/77/409457877.db2.gz LLEKVYRUYVEBSJ-MNOVXSKESA-N 2 1 198.354 2.247 10 0 AEAEMP CC[C@@H]1CCCCC[N@H+]1CCC[NH2+]C 108310518 409458594 /nfs/dbraw/zinc/45/85/94/409458594.db2.gz STBWBUSADXEOGH-GFCCVEGCSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[C@H]1CCCCC[N@H+]1CCC[NH2+]C 108310519 409459938 /nfs/dbraw/zinc/45/99/38/409459938.db2.gz STBWBUSADXEOGH-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCC[C@H](C)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 126706856 409476233 /nfs/dbraw/zinc/47/62/33/409476233.db2.gz DRJHQAMYMRKIJX-SRVKXCTJSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC[N@H+](C)CC(C)(C)[NH2+]CC1CC1 657793157 409496351 /nfs/dbraw/zinc/49/63/51/409496351.db2.gz TUUDIPKZGCNSRJ-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1CC1 657793157 409496353 /nfs/dbraw/zinc/49/63/53/409496353.db2.gz TUUDIPKZGCNSRJ-UHFFFAOYSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 219856883 409516123 /nfs/dbraw/zinc/51/61/23/409516123.db2.gz PICUADMGBHUUTI-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[C@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 219856933 409517473 /nfs/dbraw/zinc/51/74/73/409517473.db2.gz PICUADMGBHUUTI-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1[NH3+] 300839163 409535441 /nfs/dbraw/zinc/53/54/41/409535441.db2.gz JLZSFXWBKCLKQO-MNOVXSKESA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1[NH3+] 300839169 409535681 /nfs/dbraw/zinc/53/56/81/409535681.db2.gz JLZSFXWBKCLKQO-WDEREUQCSA-N 2 1 198.354 2.092 10 0 AEAEMP C[C@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1[NH3+] 300839166 409535793 /nfs/dbraw/zinc/53/57/93/409535793.db2.gz JLZSFXWBKCLKQO-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP CC(C)(C)CCC[N@@H+]1CCC[C@H]1C[NH3+] 300947199 409540066 /nfs/dbraw/zinc/54/00/66/409540066.db2.gz WTBMYKJUDVEHQY-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CC(C)(C)CCC[N@H+]1CCC[C@H]1C[NH3+] 300947199 409540079 /nfs/dbraw/zinc/54/00/79/409540079.db2.gz WTBMYKJUDVEHQY-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H](C)C(C)(C)C 306837652 409593085 /nfs/dbraw/zinc/59/30/85/409593085.db2.gz VXESLSWNDKJPAL-HBNTYKKESA-N 2 1 198.354 2.151 10 0 AEAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H](C)C(C)(C)C 306837649 409593339 /nfs/dbraw/zinc/59/33/39/409593339.db2.gz VXESLSWNDKJPAL-AXFHLTTASA-N 2 1 198.354 2.151 10 0 AEAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H](C)C(C)(C)C 306837650 409594406 /nfs/dbraw/zinc/59/44/06/409594406.db2.gz VXESLSWNDKJPAL-DCAQKATOSA-N 2 1 198.354 2.151 10 0 AEAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H](C)C(C)(C)C 306837651 409594995 /nfs/dbraw/zinc/59/49/95/409594995.db2.gz VXESLSWNDKJPAL-GARJFASQSA-N 2 1 198.354 2.151 10 0 AEAEMP C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cccs1 308136348 409688719 /nfs/dbraw/zinc/68/87/19/409688719.db2.gz OPIHBDKZVIYHDT-YIZRAAEISA-N 2 1 198.335 2.134 10 0 AEAEMP C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cccs1 308136345 409687144 /nfs/dbraw/zinc/68/71/44/409687144.db2.gz OPIHBDKZVIYHDT-HLTSFMKQSA-N 2 1 198.335 2.134 10 0 AEAEMP C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cccs1 308136347 409687339 /nfs/dbraw/zinc/68/73/39/409687339.db2.gz OPIHBDKZVIYHDT-VGMNWLOBSA-N 2 1 198.335 2.134 10 0 AEAEMP C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cccs1 308136343 409687913 /nfs/dbraw/zinc/68/79/13/409687913.db2.gz OPIHBDKZVIYHDT-CIUDSAMLSA-N 2 1 198.335 2.134 10 0 AEAEMP CCC[NH2+]C(C)(C)C[N@H+](C)CCC 662174549 409698119 /nfs/dbraw/zinc/69/81/19/409698119.db2.gz KAESDANQICDYFY-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[NH2+]C(C)(C)C[N@@H+](C)CCC 662174549 409698124 /nfs/dbraw/zinc/69/81/24/409698124.db2.gz KAESDANQICDYFY-UHFFFAOYSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC(CC)CCC[N@H+](C)CC[NH3+] 662314656 409715951 /nfs/dbraw/zinc/71/59/51/409715951.db2.gz AIISTCFXVWBJHX-UHFFFAOYSA-N 2 1 186.343 2.093 10 0 AEAEMP CCC(CC)CCC[N@@H+](C)CC[NH3+] 662314656 409715964 /nfs/dbraw/zinc/71/59/64/409715964.db2.gz AIISTCFXVWBJHX-UHFFFAOYSA-N 2 1 186.343 2.093 10 0 AEAEMP C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccccc1 379540290 409850237 /nfs/dbraw/zinc/85/02/37/409850237.db2.gz OOUFAUGTKUJRGF-DCAQKATOSA-N 2 1 192.306 2.073 10 0 AEAEMP C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccccc1 379540289 409850333 /nfs/dbraw/zinc/85/03/33/409850333.db2.gz OOUFAUGTKUJRGF-AXFHLTTASA-N 2 1 192.306 2.073 10 0 AEAEMP CCC(C)(C)CC[N@H+]1CC[C@H](C[NH3+])C1 380230868 409875391 /nfs/dbraw/zinc/87/53/91/409875391.db2.gz LIWBHPCWOUURIH-LLVKDONJSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC(C)(C)CC[N@H+]1CC[C@@H](C[NH3+])C1 380230876 409876040 /nfs/dbraw/zinc/87/60/40/409876040.db2.gz LIWBHPCWOUURIH-NSHDSACASA-N 2 1 198.354 2.093 10 0 AEAEMP C[C@H](C[N@@H+](C)C1CC([NH3+])C1)C(C)(C)C 384711533 409914323 /nfs/dbraw/zinc/91/43/23/409914323.db2.gz DMWGTHYTLBWILU-KPPDAEKUSA-N 2 1 198.354 2.090 10 0 AEAEMP C[C@@H](C[N@@H+](C)C1CC([NH3+])C1)C(C)(C)C 384711534 409914345 /nfs/dbraw/zinc/91/43/45/409914345.db2.gz DMWGTHYTLBWILU-WHXUTIOJSA-N 2 1 198.354 2.090 10 0 AEAEMP C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccsc1 388209141 409948214 /nfs/dbraw/zinc/94/82/14/409948214.db2.gz MLFGKYAYZGTQSW-VGMNWLOBSA-N 2 1 198.335 2.134 10 0 AEAEMP C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccsc1 388209139 409949892 /nfs/dbraw/zinc/94/98/92/409949892.db2.gz MLFGKYAYZGTQSW-CIUDSAMLSA-N 2 1 198.335 2.134 10 0 AEAEMP C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccsc1 388209142 409949921 /nfs/dbraw/zinc/94/99/21/409949921.db2.gz MLFGKYAYZGTQSW-YIZRAAEISA-N 2 1 198.335 2.134 10 0 AEAEMP C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccsc1 388209140 409950400 /nfs/dbraw/zinc/95/04/00/409950400.db2.gz MLFGKYAYZGTQSW-HLTSFMKQSA-N 2 1 198.335 2.134 10 0 AEAEMP CCC(C)(C)CC[N@@H+](C)CCC[NH3+] 393678322 409991558 /nfs/dbraw/zinc/99/15/58/409991558.db2.gz LZZPCSJWFSXTIM-UHFFFAOYSA-N 2 1 186.343 2.093 10 0 AEAEMP C[C@@H](CCC(C)(C)C)[NH2+][C@H](C)C[NH3+] 395157665 410002986 /nfs/dbraw/zinc/00/29/86/410002986.db2.gz PEEXXINBEWLYAA-VHSXEESVSA-N 2 1 186.343 2.138 10 0 AEAEMP C[C@H](C[NH3+])[NH2+][C@H](C)CCC(C)(C)C 395157659 410003066 /nfs/dbraw/zinc/00/30/66/410003066.db2.gz PEEXXINBEWLYAA-NXEZZACHSA-N 2 1 186.343 2.138 10 0 AEAEMP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C(C)C 396600360 410007433 /nfs/dbraw/zinc/00/74/33/410007433.db2.gz APEJKHJQJVRTCL-SRVKXCTJSA-N 2 1 198.354 2.151 10 0 AEAEMP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C(C)C 396600358 410008173 /nfs/dbraw/zinc/00/81/73/410008173.db2.gz APEJKHJQJVRTCL-SDDRHHMPSA-N 2 1 198.354 2.151 10 0 AEAEMP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C(C)C 396600364 410008329 /nfs/dbraw/zinc/00/83/29/410008329.db2.gz APEJKHJQJVRTCL-WOPDTQHZSA-N 2 1 198.354 2.151 10 0 AEAEMP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C(C)C 396600355 410008575 /nfs/dbraw/zinc/00/85/75/410008575.db2.gz APEJKHJQJVRTCL-GRYCIOLGSA-N 2 1 198.354 2.151 10 0 AEAEMP CCC(C)(C)C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 401641799 410032342 /nfs/dbraw/zinc/03/23/42/410032342.db2.gz IEFFXYQHKMDNPY-WDEREUQCSA-N 2 1 198.354 2.010 10 0 AEAEMP CCC(C)(C)C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 401641798 410032458 /nfs/dbraw/zinc/03/24/58/410032458.db2.gz IEFFXYQHKMDNPY-QWRGUYRKSA-N 2 1 198.354 2.010 10 0 AEAEMP CCC(C)(C)C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 401641793 410033482 /nfs/dbraw/zinc/03/34/82/410033482.db2.gz IEFFXYQHKMDNPY-GHMZBOCLSA-N 2 1 198.354 2.010 10 0 AEAEMP CCC(C)(C)C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 401641795 410033855 /nfs/dbraw/zinc/03/38/55/410033855.db2.gz IEFFXYQHKMDNPY-MNOVXSKESA-N 2 1 198.354 2.010 10 0 AEAEMP CC[N@@H+](CC1CC1)C[C@@](C)(CC)C[NH3+] 68948399 572012174 /nfs/dbraw/zinc/01/21/74/572012174.db2.gz DWAFNPJPGVHWQI-LBPRGKRZSA-N 2 1 198.354 2.093 10 0 AEAEMP C[NH2+]CCCC[N@H+]1CCCCC[C@@H]1C 69945374 572164886 /nfs/dbraw/zinc/16/48/86/572164886.db2.gz HEFGTMORAISSSJ-LBPRGKRZSA-N 2 1 198.354 2.251 10 0 AEAEMP CCCc1[nH+]ccn1[C@H](C)[C@H](C)[NH2+]C 69963798 572164904 /nfs/dbraw/zinc/16/49/04/572164904.db2.gz BAKAQOMFSHHLPX-VHSXEESVSA-N 2 1 195.310 2.005 10 0 AEAEMP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](C)CC1 82489234 572039945 /nfs/dbraw/zinc/03/99/45/572039945.db2.gz KKVOATBTBVOZCS-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CC(C)[NH2+]CC[N@H+]1CCC[C@H](C)CC1 82489234 572039948 /nfs/dbraw/zinc/03/99/48/572039948.db2.gz KKVOATBTBVOZCS-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CC[C@@H](CC[NH3+])[N@H+]1CCC[C@H](C)CC1 82488870 572039954 /nfs/dbraw/zinc/03/99/54/572039954.db2.gz KSWDYKNAECKQDV-RYUDHWBXSA-N 2 1 198.354 2.236 10 0 AEAEMP C[NH2+]C[C@H](C)C[N@H+]1CCCCC[C@@H]1C 69945768 572164930 /nfs/dbraw/zinc/16/49/30/572164930.db2.gz LNIFYJBYSUAKNB-RYUDHWBXSA-N 2 1 198.354 2.106 10 0 AEAEMP C[C@@H](CCC[NH3+])[N@H+]1CCCCC[C@H]1C 69945796 572164938 /nfs/dbraw/zinc/16/49/38/572164938.db2.gz WXCZRNPUZABVCL-NEPJUHHUSA-N 2 1 198.354 2.378 10 0 AEAEMP CCC[NH2+][C@@]1(C[NH3+])C[C@H](C)CC[C@@H]1C 82860071 572156140 /nfs/dbraw/zinc/15/61/40/572156140.db2.gz LOPAFGODDHUKIO-GRYCIOLGSA-N 2 1 198.354 2.140 10 0 AEAEMP CCC[NH2+][C@]1(C[NH3+])C[C@H](C)CC[C@@H]1C 82860070 572156161 /nfs/dbraw/zinc/15/61/61/572156161.db2.gz LOPAFGODDHUKIO-WOPDTQHZSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[NH2+]C[C@H](C)[C@@H](C)[N@H+]1CCC[C@@H]1C 87946904 572760450 /nfs/dbraw/zinc/76/04/50/572760450.db2.gz BTGLIVHXXCHCKJ-SDDRHHMPSA-N 2 1 198.354 2.105 10 0 AEAEMP CCCC[N@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 86302956 572910897 /nfs/dbraw/zinc/91/08/97/572910897.db2.gz RQNXFLPYXTZTHO-WOPDTQHZSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[N@@H+](CCC1(C[NH3+])CCC1)C(C)C 88051707 572946318 /nfs/dbraw/zinc/94/63/18/572946318.db2.gz HLVSXWMSYLNLEN-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@@H+](CC1(N)CCC1)C1CCCC1 88051753 572946420 /nfs/dbraw/zinc/94/64/20/572946420.db2.gz PHNRYLMQICPWHC-UHFFFAOYSA-N 2 1 196.338 2.132 10 0 AEAEMP CCC[N@@H+](CC)CCC1(C[NH3+])CCC1 88051715 572946454 /nfs/dbraw/zinc/94/64/54/572946454.db2.gz LGSYOSNGNRDLQD-UHFFFAOYSA-N 2 1 198.354 2.237 10 0 AEAEMP C[N@@H+](CC(C)(C)C)[C@H]1CCC[NH2+]CC1 82666839 573151292 /nfs/dbraw/zinc/15/12/92/573151292.db2.gz UQLDRQSPNFMACR-NSHDSACASA-N 2 1 198.354 2.106 10 0 AEAEMP C[C@@H]([NH3+])C(C)(C)C[N@H+]1CCCC1(C)C 85679537 573113871 /nfs/dbraw/zinc/11/38/71/573113871.db2.gz LNRGHKSFJIEGCH-SNVBAGLBSA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@H]1CCC[N@H+]1CCC1([NH3+])CCCC1 82773011 573184425 /nfs/dbraw/zinc/18/44/25/573184425.db2.gz GCJROYAXGDSZLW-NSHDSACASA-N 2 1 196.338 2.132 10 0 AEAEMP C[C@@H](C[C@@H](C)[NH3+])[N@H+]1CCCC(C)(C)C1 82803352 573203258 /nfs/dbraw/zinc/20/32/58/573203258.db2.gz SVMIXKIBIVHWBD-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP C[C@@H]([NH3+])C[C@@H](C)[N@H+]1CCCC(C)(C)C1 82803348 573203323 /nfs/dbraw/zinc/20/33/23/573203323.db2.gz SVMIXKIBIVHWBD-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82802704 573203452 /nfs/dbraw/zinc/20/34/52/573203452.db2.gz JSDLFSMZJPALCP-MXWKQRLJSA-N 2 1 186.343 2.233 10 0 AEAEMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CCCC(C)(C)C1 82803350 573203586 /nfs/dbraw/zinc/20/35/86/573203586.db2.gz SVMIXKIBIVHWBD-QWRGUYRKSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[NH2+][C@]1(C[NH3+])CC[C@@H](C)[C@@H](C)C1 82837975 573225588 /nfs/dbraw/zinc/22/55/88/573225588.db2.gz SRTJYUZURQIRAP-GRYCIOLGSA-N 2 1 198.354 2.138 10 0 AEAEMP CC(C)[NH2+][C@]1(C[NH3+])CC[C@H](C)[C@@H](C)C1 82837976 573225945 /nfs/dbraw/zinc/22/59/45/573225945.db2.gz SRTJYUZURQIRAP-SDDRHHMPSA-N 2 1 198.354 2.138 10 0 AEAEMP CCC(CC)C[N@@H+](CCC[NH3+])C1CC1 129101456 573230102 /nfs/dbraw/zinc/23/01/02/573230102.db2.gz WOSOIBHKNDXVNN-UHFFFAOYSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[N@@H+]1CC=C(CCCC[NH2+]C)CC1 258240980 573230158 /nfs/dbraw/zinc/23/01/58/573230158.db2.gz XDMBBKZODWCTEV-UHFFFAOYSA-N 2 1 196.338 2.028 10 0 AEAEMP CC(C)[N@H+]1CC[C@@H](CC[NH3+])CC1(C)C 259389471 573237366 /nfs/dbraw/zinc/23/73/66/573237366.db2.gz LRISEGICRPBNBB-LLVKDONJSA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)[NH2+][C@]1(C[NH3+])CCC[C@@H](C)[C@H]1C 82860090 573239473 /nfs/dbraw/zinc/23/94/73/573239473.db2.gz WEIWVSGJGCCJRU-UTUOFQBUSA-N 2 1 198.354 2.138 10 0 AEAEMP CC(C)[NH2+][C@@]1(C[NH3+])C[C@H](C)CC[C@H]1C 82860084 573239694 /nfs/dbraw/zinc/23/96/94/573239694.db2.gz PFTBDMFZODXGJW-IJLUTSLNSA-N 2 1 198.354 2.138 10 0 AEAEMP C[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(C)(C)C 42747235 573251971 /nfs/dbraw/zinc/25/19/71/573251971.db2.gz QHBMPSCAYFVZOJ-UWVGGRQHSA-N 2 1 186.343 2.090 10 0 AEAEMP CCC[N@H+](CC)C[C@@H](CC)[NH2+]CC 50179203 573271067 /nfs/dbraw/zinc/27/10/67/573271067.db2.gz KULCMHSIURDFOO-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[N@@H+](CC)C[C@@H](CC)[NH2+]CC 50179203 573271072 /nfs/dbraw/zinc/27/10/72/573271072.db2.gz KULCMHSIURDFOO-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CC(C)[N@@H+](C)C[C@@H]([NH3+])CC1CCCC1 74236808 573271368 /nfs/dbraw/zinc/27/13/68/573271368.db2.gz QGUDTTQIXMLBOD-LBPRGKRZSA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[NH2+][C@@H](CC)C[NH+](CC)CC 50166307 573271419 /nfs/dbraw/zinc/27/14/19/573271419.db2.gz KRWITHDIJIMPEQ-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC1CC[NH+](C[C@@H](CC)[NH2+]C)CC1 50179495 573271654 /nfs/dbraw/zinc/27/16/54/573271654.db2.gz HMZNCYZZQRTZEF-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+][C@@H](CC)C[N@H+](C)CCC 50179223 573271688 /nfs/dbraw/zinc/27/16/88/573271688.db2.gz CLTGGTVSJAYCFX-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[NH2+][C@@H](CC)C[N@@H+](C)CCC 50179223 573271694 /nfs/dbraw/zinc/27/16/94/573271694.db2.gz CLTGGTVSJAYCFX-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CC[N@@H+](CC(C)(C)C[NH3+])[C@H]1CC[C@@H]1C 308535218 573274131 /nfs/dbraw/zinc/27/41/31/573274131.db2.gz MAHFGVUNLJZLMI-QWRGUYRKSA-N 2 1 198.354 2.092 10 0 AEAEMP CCC1CC[NH+](C[C@H](CC)[NH2+]C)CC1 50179496 573273619 /nfs/dbraw/zinc/27/36/19/573273619.db2.gz HMZNCYZZQRTZEF-LBPRGKRZSA-N 2 1 198.354 2.106 10 0 AEAEMP CCCCC[N@H+](C)C[C@@H](CC)[NH2+]C 50179249 573273762 /nfs/dbraw/zinc/27/37/62/573273762.db2.gz FYSWQEAUSPDSEU-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCCCC[N@@H+](C)C[C@@H](CC)[NH2+]C 50179249 573273767 /nfs/dbraw/zinc/27/37/67/573273767.db2.gz FYSWQEAUSPDSEU-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCCC[N@H+](C[C@H](CC)[NH2+]C)C1CC1 50179603 573274204 /nfs/dbraw/zinc/27/42/04/573274204.db2.gz AIAZXQAANHQVLV-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCCC[N@@H+](C[C@H](CC)[NH2+]C)C1CC1 50179603 573274207 /nfs/dbraw/zinc/27/42/07/573274207.db2.gz AIAZXQAANHQVLV-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@H+](C[C@H](CC)[NH2+]CC)C1CC1 50179216 573274270 /nfs/dbraw/zinc/27/42/70/573274270.db2.gz ZIAQBLOIVMLGJH-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@@H+](C[C@H](CC)[NH2+]CC)C1CC1 50179216 573274275 /nfs/dbraw/zinc/27/42/75/573274275.db2.gz ZIAQBLOIVMLGJH-NSHDSACASA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[NH2+][C@H](CC)C[N@H+](C)CC1CC1 50179416 573274387 /nfs/dbraw/zinc/27/43/87/573274387.db2.gz RYKNKKWBTVQWSW-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[NH2+][C@H](CC)C[N@@H+](C)CC1CC1 50179416 573274390 /nfs/dbraw/zinc/27/43/90/573274390.db2.gz RYKNKKWBTVQWSW-GFCCVEGCSA-N 2 1 198.354 2.106 10 0 AEAEMP CCC[N@H+](C[C@@H](CC)[NH2+]CC)C1CC1 50179215 573274445 /nfs/dbraw/zinc/27/44/45/573274445.db2.gz ZIAQBLOIVMLGJH-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@@H+](C[C@@H](CC)[NH2+]CC)C1CC1 50179215 573274447 /nfs/dbraw/zinc/27/44/47/573274447.db2.gz ZIAQBLOIVMLGJH-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCC[N@H+](C[C@@H](CC)[NH2+]C)C1CC1 50179602 573274565 /nfs/dbraw/zinc/27/45/65/573274565.db2.gz AIAZXQAANHQVLV-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CCCC[N@@H+](C[C@@H](CC)[NH2+]C)C1CC1 50179602 573274569 /nfs/dbraw/zinc/27/45/69/573274569.db2.gz AIAZXQAANHQVLV-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CCC[N@H+](CC)C[C@H](CC)[NH2+]CC 50179204 573274681 /nfs/dbraw/zinc/27/46/81/573274681.db2.gz KULCMHSIURDFOO-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[N@@H+](CC)C[C@H](CC)[NH2+]CC 50179204 573274686 /nfs/dbraw/zinc/27/46/86/573274686.db2.gz KULCMHSIURDFOO-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCCCC[N@H+](C)C[C@H](CC)[NH2+]C 50179250 573274719 /nfs/dbraw/zinc/27/47/19/573274719.db2.gz FYSWQEAUSPDSEU-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCCCC[N@@H+](C)C[C@H](CC)[NH2+]C 50179250 573274720 /nfs/dbraw/zinc/27/47/20/573274720.db2.gz FYSWQEAUSPDSEU-NSHDSACASA-N 2 1 186.343 2.106 10 0 AEAEMP CCCC[N@H+](C)C[C@@H](CC)[NH2+]CC 50166548 573274866 /nfs/dbraw/zinc/27/48/66/573274866.db2.gz AGLCOUOXPXDBBB-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCCC[N@@H+](C)C[C@@H](CC)[NH2+]CC 50166548 573274870 /nfs/dbraw/zinc/27/48/70/573274870.db2.gz AGLCOUOXPXDBBB-LLVKDONJSA-N 2 1 186.343 2.106 10 0 AEAEMP CCC[C@@H]1CCCC[N@H+]1C/C=C\C[NH3+] 308342520 573299358 /nfs/dbraw/zinc/29/93/58/573299358.db2.gz IYOPQOLXBDXJAU-TXNVCOODSA-N 2 1 196.338 2.156 10 0 AEAEMP CC[C@@H](C)[N@H+]1C[C@@H](C[NH3+])CCC1(C)C 259409979 573303133 /nfs/dbraw/zinc/30/31/33/573303133.db2.gz MTWBLTGSSOILOY-GHMZBOCLSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCC[N@H+]1CCC[NH2+]C(C)(C)CC1 259410016 573303238 /nfs/dbraw/zinc/30/32/38/573303238.db2.gz MUTCTBCLMICQGO-UHFFFAOYSA-N 2 1 198.354 2.251 10 0 AEAEMP CC[N@H+]1CC(CC)(CC)NCC[C@H]1C 82943646 573313905 /nfs/dbraw/zinc/31/39/05/573313905.db2.gz BYUNJEIFPDVCAG-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CCN1CC(CC)(CC)[NH2+]CC[C@H]1C 82943646 573313912 /nfs/dbraw/zinc/31/39/12/573313912.db2.gz BYUNJEIFPDVCAG-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[N@H+]1CCC[NH2+]C2(CCCCC2)C1 82941417 573313272 /nfs/dbraw/zinc/31/32/72/573313272.db2.gz ZFQHHTJDCSAPFM-UHFFFAOYSA-N 2 1 196.338 2.005 10 0 AEAEMP CCC[C@H]1C[N@@H+](C(C)C)[C@H](C)CCN1 82943085 573313342 /nfs/dbraw/zinc/31/33/42/573313342.db2.gz LQRGDMGURGSBKJ-NEPJUHHUSA-N 2 1 198.354 2.247 10 0 AEAEMP CCC[C@H]1CN(C(C)C)[C@H](C)CC[NH2+]1 82943085 573313350 /nfs/dbraw/zinc/31/33/50/573313350.db2.gz LQRGDMGURGSBKJ-NEPJUHHUSA-N 2 1 198.354 2.247 10 0 AEAEMP CCCC[N@H+]1CC(C)(C)NCC[C@H]1C 82942950 573313632 /nfs/dbraw/zinc/31/36/32/573313632.db2.gz CDRHEOFZCIDSQV-LLVKDONJSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[C@H]1C[N@@H+](CC(C)C)[C@H](C)CCN1 82943341 573313746 /nfs/dbraw/zinc/31/37/46/573313746.db2.gz LQKTYXFSDYPNKW-NEPJUHHUSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@]1(C)C[N@@H+](C(C)C)[C@H](C)CCN1 82943603 573314608 /nfs/dbraw/zinc/31/46/08/573314608.db2.gz CFZZPNPSPQUYLB-VXGBXAGGSA-N 2 1 198.354 2.247 10 0 AEAEMP CCCN1C[C@@H](C(C)C)[NH2+]CC[C@@H]1C 82942281 573314680 /nfs/dbraw/zinc/31/46/80/573314680.db2.gz UUIHSTWQPMEILQ-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H](C)[C@@](C)(C[NH3+])[NH2+]C1CC=CC1 308546073 573314999 /nfs/dbraw/zinc/31/49/99/573314999.db2.gz OAEUDNBKWOSFSL-ZYHUDNBSSA-N 2 1 196.338 2.058 10 0 AEAEMP CC(C)[N@H+]1CCC[NH2+][C@@H](C(C)(C)C)C1 82941772 573315026 /nfs/dbraw/zinc/31/50/26/573315026.db2.gz RPLHAIKAWXNQSP-LLVKDONJSA-N 2 1 198.354 2.105 10 0 AEAEMP CC[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1(C)C 259415231 573315036 /nfs/dbraw/zinc/31/50/36/573315036.db2.gz NBQNVGDNWNMIKH-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP CC(C)CC[N@H+]1CC[C@@H]([NH3+])CC1(C)C 106876253 573324572 /nfs/dbraw/zinc/32/45/72/573324572.db2.gz QBPLJCPHCKXFQL-LLVKDONJSA-N 2 1 198.354 2.234 10 0 AEAEMP CCCCC[N@H+]1CC[C@@H]([NH3+])CC1(C)C 259417362 573326642 /nfs/dbraw/zinc/32/66/42/573326642.db2.gz NEKAXDDGRQBNMI-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CCCCC[N@H+]1CC[C@H]([NH3+])CC1(C)C 259417367 573329648 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/nfs/dbraw/zinc/34/24/23/573342423.db2.gz TXQZLWVQVDRXGF-GFCCVEGCSA-N 2 1 196.338 2.003 10 0 AEAEMP CC[C@@H](C)[C@](C)(C[NH3+])[NH2+]CCC1CC1 308557839 573347808 /nfs/dbraw/zinc/34/78/08/573347808.db2.gz UFVWUNFTPAFVIK-PWSUYJOCSA-N 2 1 198.354 2.140 10 0 AEAEMP CC[C@H](C)[C@](C)(C[NH3+])[NH2+]CCC1CC1 308557838 573347407 /nfs/dbraw/zinc/34/74/07/573347407.db2.gz UFVWUNFTPAFVIK-JQWIXIFHSA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)c1c[nH+]cn1[C@H](C[NH3+])C(C)C 132902924 573347554 /nfs/dbraw/zinc/34/75/54/573347554.db2.gz FVZKXHKSRAWYLU-SNVBAGLBSA-N 2 1 195.310 2.162 10 0 AEAEMP CC[C@@H]1CCCCC[N@H+]1C/C=C\C[NH3+] 308358351 573348229 /nfs/dbraw/zinc/34/82/29/573348229.db2.gz ANHWZCFHRXUEGW-SMYYYNMVSA-N 2 1 196.338 2.156 10 0 AEAEMP CCC[NH2+]CCn1c[nH+]cc1C(C)C 132895603 573348393 /nfs/dbraw/zinc/34/83/93/573348393.db2.gz OEAZFRGYAKDAGG-UHFFFAOYSA-N 2 1 195.310 2.006 10 0 AEAEMP CC[C@@H](C)[C@@](C)(C[NH3+])[NH2+]CCC1CC1 308557840 573348401 /nfs/dbraw/zinc/34/84/01/573348401.db2.gz UFVWUNFTPAFVIK-ZYHUDNBSSA-N 2 1 198.354 2.140 10 0 AEAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86303450 573357331 /nfs/dbraw/zinc/35/73/31/573357331.db2.gz QIHQVVFNACNOOV-RHYQMDGZSA-N 2 1 198.354 2.089 10 0 AEAEMP CC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86304717 573361778 /nfs/dbraw/zinc/36/17/78/573361778.db2.gz CZTKFMNYWLRJKL-USZNOCQGSA-N 2 1 198.354 2.090 10 0 AEAEMP C[NH2+][C@@H](C)CCCC[N@H+]1CCC[C@@H]1C 223271016 573362078 /nfs/dbraw/zinc/36/20/78/573362078.db2.gz AUNDKSNORTXAHJ-RYUDHWBXSA-N 2 1 198.354 2.249 10 0 AEAEMP CC[N@H+]1CCC[C@@H]1C[C@]1(C)CCC[NH2+]1 258312375 573366108 /nfs/dbraw/zinc/36/61/08/573366108.db2.gz VNDSCQZPBWFLQU-NEPJUHHUSA-N 2 1 196.338 2.003 10 0 AEAEMP CC[N@H+]1CCC[C@H]1C[C@@]1(C)CCC[NH2+]1 258312379 573366177 /nfs/dbraw/zinc/36/61/77/573366177.db2.gz VNDSCQZPBWFLQU-NWDGAFQWSA-N 2 1 196.338 2.003 10 0 AEAEMP CCCC[N@H+]1CC[C@@H](C[NH3+])[C@H](CC)C1 133097366 573371031 /nfs/dbraw/zinc/37/10/31/573371031.db2.gz BSPLWZPPFMWXSI-NEPJUHHUSA-N 2 1 198.354 2.093 10 0 AEAEMP CCC[C@@H](C[NH3+])[NH2+]CCC1CCCC1 308565539 573378859 /nfs/dbraw/zinc/37/88/59/573378859.db2.gz AOWIJLRVEIIHNU-LBPRGKRZSA-N 2 1 198.354 2.284 10 0 AEAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CCCC(C)(C)C 308565718 573379223 /nfs/dbraw/zinc/37/92/23/573379223.db2.gz APXSVSPGRAKYCR-MNOVXSKESA-N 2 1 198.354 2.234 10 0 AEAEMP CCC[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C(C)C 308565773 573379843 /nfs/dbraw/zinc/37/98/43/573379843.db2.gz APZZLKOWLCDQLI-RYUDHWBXSA-N 2 1 198.354 2.105 10 0 AEAEMP C[N@H+]1CCCC[C@H]1CCC1([NH3+])CCC1 258012328 573388431 /nfs/dbraw/zinc/38/84/31/573388431.db2.gz MVXWTIIOANDCGN-NSHDSACASA-N 2 1 196.338 2.132 10 0 AEAEMP CC(C)(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCC1(C)C 308574706 573406931 /nfs/dbraw/zinc/40/69/31/573406931.db2.gz DBDBYJPFZFMUGR-VHSXEESVSA-N 2 1 198.354 2.138 10 0 AEAEMP CCCCCn1c[nH+]cc1[C@@H](C)C[NH3+] 308578191 573412920 /nfs/dbraw/zinc/41/29/20/573412920.db2.gz NQYOBXXKIRHPAI-JTQLQIEISA-N 2 1 195.310 2.136 10 0 AEAEMP CC[C@H](C)c1c[nH+]cn1C(C)(C)C[NH3+] 133612173 573416842 /nfs/dbraw/zinc/41/68/42/573416842.db2.gz WTTZQFPCHIESJK-VIFPVBQESA-N 2 1 195.310 2.090 10 0 AEAEMP C[N@H+](C1CCCCC1)[C@@H]1CC[C@H]([NH3+])C1 86409770 573419360 /nfs/dbraw/zinc/41/93/60/573419360.db2.gz WARJIFHTMYZWRM-CMPLNLGQSA-N 2 1 196.338 2.131 10 0 AEAEMP C[N@H+]1CCC[C@H]1CC[C@]1(C)CCC[NH2+]1 258338781 573419876 /nfs/dbraw/zinc/41/98/76/573419876.db2.gz XQASKAUDNSUSPC-RYUDHWBXSA-N 2 1 196.338 2.003 10 0 AEAEMP CC[C@@H](C[NH3+])n1c[nH+]cc1[C@H](C)CC 133635220 573420493 /nfs/dbraw/zinc/42/04/93/573420493.db2.gz CITFBAJCOWFJIG-ZJUUUORDSA-N 2 1 195.310 2.306 10 0 AEAEMP CC[C@H]([NH3+])Cn1c[nH+]cc1[C@@H](C)CC 133626790 573420822 /nfs/dbraw/zinc/42/08/22/573420822.db2.gz SFMWGQGRBSLLTA-UWVGGRQHSA-N 2 1 195.310 2.134 10 0 AEAEMP CC1(C)CCC[N@H+]1[C@@H]1CCC[C@H]([NH3+])C1 86432818 573423843 /nfs/dbraw/zinc/42/38/43/573423843.db2.gz ZDIIHVKSJGZRCU-WDEREUQCSA-N 2 1 196.338 2.131 10 0 AEAEMP CC[C@@H](C)c1c[nH+]cn1[C@H](CC)C[NH3+] 133635660 573424066 /nfs/dbraw/zinc/42/40/66/573424066.db2.gz CITFBAJCOWFJIG-NXEZZACHSA-N 2 1 195.310 2.306 10 0 AEAEMP CC1(C)CCC[N@H+]1[C@H]1CCC[C@H]([NH3+])C1 86432819 573424260 /nfs/dbraw/zinc/42/42/60/573424260.db2.gz ZDIIHVKSJGZRCU-QWRGUYRKSA-N 2 1 196.338 2.131 10 0 AEAEMP CC[C@H](C)c1c[nH+]cn1[C@H](CC)C[NH3+] 133635821 573424286 /nfs/dbraw/zinc/42/42/86/573424286.db2.gz CITFBAJCOWFJIG-VHSXEESVSA-N 2 1 195.310 2.306 10 0 AEAEMP CCC(C)(C)[N@@H+](C)[C@H]1CCC[C@H]([NH3+])C1 86432918 573424331 /nfs/dbraw/zinc/42/43/31/573424331.db2.gz BSTVISXRZUDHOT-QWRGUYRKSA-N 2 1 198.354 2.377 10 0 AEAEMP CCCC[N@@H+](CC)CC[C@@H]([NH3+])C1CC1 130006812 573424894 /nfs/dbraw/zinc/42/48/94/573424894.db2.gz YQNCZKQROBVRLO-GFCCVEGCSA-N 2 1 198.354 2.236 10 0 AEAEMP CC[C@H](C)c1c[nH+]cn1C[C@H]([NH3+])CC 133626412 573425065 /nfs/dbraw/zinc/42/50/65/573425065.db2.gz SFMWGQGRBSLLTA-VHSXEESVSA-N 2 1 195.310 2.134 10 0 AEAEMP CCCCC[N@@H+](C)CC[C@@H]([NH3+])C1CC1 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2 1 198.354 2.093 10 0 AEAEMP CCCc1[nH]c([C@H](C)CC[NH3+])[nH+]c1C 258800362 573588113 /nfs/dbraw/zinc/58/81/13/573588113.db2.gz WRPCXQXCSCEAAG-MRVPVSSYSA-N 2 1 195.310 2.123 10 0 AEAEMP C[C@H]([NH3+])CC[N@H+]1CCCC(C)(C)CC1 83680327 573590769 /nfs/dbraw/zinc/59/07/69/573590769.db2.gz IUIQCNAKCGQIDF-NSHDSACASA-N 2 1 198.354 2.236 10 0 AEAEMP CCCC(C)(C)C[NH2+]CC[NH2+]C1CC1 258813275 573590862 /nfs/dbraw/zinc/59/08/62/573590862.db2.gz DTWVEWYBRUOAIW-UHFFFAOYSA-N 2 1 198.354 2.154 10 0 AEAEMP CCCCC[N@H+]1CC[C@@H](C[NH2+]C)[C@H]1C 259136816 573592149 /nfs/dbraw/zinc/59/21/49/573592149.db2.gz DLLYUDBSKDSCMH-NEPJUHHUSA-N 2 1 198.354 2.106 10 0 AEAEMP C[C@H](CCCC[NH3+])[N@H+]1CCCC1(C)C 308646519 573598117 /nfs/dbraw/zinc/59/81/17/573598117.db2.gz HQTGHPRJAJFSSG-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP C[C@H](CCCC[NH3+])[N@@H+](C)C1CCCC1 308645277 573598277 /nfs/dbraw/zinc/59/82/77/573598277.db2.gz GYUHLKXGRBZKEP-LLVKDONJSA-N 2 1 198.354 2.378 10 0 AEAEMP CC(C)[N@H+]1C[C@H](CC[NH3+])CCC1(C)C 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