smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C2CC[NH2+]CC2)c(C)[nH+]1 82883909 1169114504 /nfs/dbraw/zinc/11/45/04/1169114504.db2.gz FLWYAMYUKPRFAD-UHFFFAOYSA-N 2 2 190.290 2.165 40 0 AEABLP CCC(CC)[NH2+]C[C@H]1CCC[N@@H+]1CC 19960082 343065301 /nfs/dbraw/zinc/06/53/01/343065301.db2.gz OEZWJIMUMODHDX-GFCCVEGCSA-N 2 2 198.354 2.249 40 0 AEABLP CCC(CC)[NH2+]C[C@H]1CCC[N@H+]1CC 19960082 343065302 /nfs/dbraw/zinc/06/53/02/343065302.db2.gz OEZWJIMUMODHDX-GFCCVEGCSA-N 2 2 198.354 2.249 40 0 AEABLP CCC(CC)[NH2+]C[C@@H]1CCC[N@@H+]1CC 19960078 343065311 /nfs/dbraw/zinc/06/53/11/343065311.db2.gz OEZWJIMUMODHDX-LBPRGKRZSA-N 2 2 198.354 2.249 40 0 AEABLP CCC(CC)[NH2+]C[C@@H]1CCC[N@H+]1CC 19960078 343065312 /nfs/dbraw/zinc/06/53/12/343065312.db2.gz OEZWJIMUMODHDX-LBPRGKRZSA-N 2 2 198.354 2.249 40 0 AEABLP CCCC[NH+](CCCC)C[C@H](C)[NH3+] 20485091 343073948 /nfs/dbraw/zinc/07/39/48/343073948.db2.gz LIVRFXLUVXRPEX-NSHDSACASA-N 2 2 186.343 2.236 40 0 AEABLP CCC[C@@H]([NH3+])C[N@H+](C)C1CCCCC1 36873559 343152190 /nfs/dbraw/zinc/15/21/90/343152190.db2.gz ODTRPPIQUKAVJU-LLVKDONJSA-N 2 2 198.354 2.378 40 0 AEABLP CC(C)[C@@H](C)[NH2+]CC[NH+]1CCCCC1 42223628 343238288 /nfs/dbraw/zinc/23/82/88/343238288.db2.gz AJXZZIRCRXIVIR-GFCCVEGCSA-N 2 2 198.354 2.106 40 0 AEABLP CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 42545154 343245359 /nfs/dbraw/zinc/24/53/59/343245359.db2.gz JKYFTBWCBXJSBG-RYUDHWBXSA-N 2 2 198.354 2.249 40 0 AEABLP C[N@@H+]1CC[C@@H]([NH2+]C2CCCCCC2)C1 42543871 343245684 /nfs/dbraw/zinc/24/56/84/343245684.db2.gz NBGOEWXWZIHMRN-GFCCVEGCSA-N 2 2 196.338 2.003 40 0 AEABLP C[N@H+]1CC[C@@H]([NH2+]C2CCCCCC2)C1 42543871 343245685 /nfs/dbraw/zinc/24/56/85/343245685.db2.gz NBGOEWXWZIHMRN-GFCCVEGCSA-N 2 2 196.338 2.003 40 0 AEABLP CCCC(CCC)[NH2+][C@H]1CC[N@H+](C)C1 42544749 343245699 /nfs/dbraw/zinc/24/56/99/343245699.db2.gz PLHSVMWJUGVAMI-LBPRGKRZSA-N 2 2 198.354 2.249 40 0 AEABLP CCCC(CCC)[NH2+][C@H]1CC[N@@H+](C)C1 42544749 343245700 /nfs/dbraw/zinc/24/57/00/343245700.db2.gz PLHSVMWJUGVAMI-LBPRGKRZSA-N 2 2 198.354 2.249 40 0 AEABLP CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42545148 343245718 /nfs/dbraw/zinc/24/57/18/343245718.db2.gz JKYFTBWCBXJSBG-VXGBXAGGSA-N 2 2 198.354 2.249 40 0 AEABLP CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42545148 343245719 /nfs/dbraw/zinc/24/57/19/343245719.db2.gz JKYFTBWCBXJSBG-VXGBXAGGSA-N 2 2 198.354 2.249 40 0 AEABLP CC[C@H](c1ccccc1)[N@@H+](C)CC[NH3+] 54416794 343323813 /nfs/dbraw/zinc/32/38/13/343323813.db2.gz BOCVJAVEUDWTDU-GFCCVEGCSA-N 2 2 192.306 2.028 40 0 AEABLP C1CC[NH+]=C([C@@H]2CCC[NH2+]C2)CC1 22115648 166091019 /nfs/dbraw/zinc/09/10/19/166091019.db2.gz RUDIERZPFTUEKK-SNVBAGLBSA-N 2 2 180.295 2.001 40 0 AEABLP C1CC[NH+]=C([C@H]2CCC[NH2+]C2)CC1 22115652 166091167 /nfs/dbraw/zinc/09/11/67/166091167.db2.gz RUDIERZPFTUEKK-JTQLQIEISA-N 2 2 180.295 2.001 40 0 AEABLP CC(C)(C)C[NH2+]CC[NH+]1CCCCC1 49575031 166354415 /nfs/dbraw/zinc/35/44/15/166354415.db2.gz VEEZYYGRAFXPAK-UHFFFAOYSA-N 2 2 198.354 2.108 40 0 AEABLP CCC(CC)[NH2+]CC[NH+]1CCCCC1 42222444 166794590 /nfs/dbraw/zinc/79/45/90/166794590.db2.gz CCJDOFZVEJOYMF-UHFFFAOYSA-N 2 2 198.354 2.251 40 0 AEABLP CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC 19960813 167036603 /nfs/dbraw/zinc/03/66/03/167036603.db2.gz LTXCEJDUXAAADL-NEPJUHHUSA-N 2 2 198.354 2.249 40 0 AEABLP CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC 19960813 167036604 /nfs/dbraw/zinc/03/66/04/167036604.db2.gz LTXCEJDUXAAADL-NEPJUHHUSA-N 2 2 198.354 2.249 40 0 AEABLP CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC 19960821 167036715 /nfs/dbraw/zinc/03/67/15/167036715.db2.gz LTXCEJDUXAAADL-VXGBXAGGSA-N 2 2 198.354 2.249 40 0 AEABLP CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC 19960821 167036720 /nfs/dbraw/zinc/03/67/20/167036720.db2.gz LTXCEJDUXAAADL-VXGBXAGGSA-N 2 2 198.354 2.249 40 0 AEABLP CCC[C@@H](C)[NH2+]CC[NH+]1CCCCC1 42222809 167037290 /nfs/dbraw/zinc/03/72/90/167037290.db2.gz VRIIEMGCKOKJQA-GFCCVEGCSA-N 2 2 198.354 2.251 40 0 AEABLP CCC[C@@H]([NH3+])C[NH+]1CCCCCCC1 36873605 167044800 /nfs/dbraw/zinc/04/48/00/167044800.db2.gz WTKPQDADVZMBLA-GFCCVEGCSA-N 2 2 198.354 2.380 40 0 AEABLP CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC 96319828 167071158 /nfs/dbraw/zinc/07/11/58/167071158.db2.gz LTXCEJDUXAAADL-NWDGAFQWSA-N 2 2 198.354 2.249 40 0 AEABLP CCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC 96319828 167071161 /nfs/dbraw/zinc/07/11/61/167071161.db2.gz LTXCEJDUXAAADL-NWDGAFQWSA-N 2 2 198.354 2.249 40 0 AEABLP CCC[C@H](C)[NH2+]CC[NH+]1CCCCC1 42222810 167071597 /nfs/dbraw/zinc/07/15/97/167071597.db2.gz VRIIEMGCKOKJQA-LBPRGKRZSA-N 2 2 198.354 2.251 40 0 AEABLP CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC 19960817 167071926 /nfs/dbraw/zinc/07/19/26/167071926.db2.gz LTXCEJDUXAAADL-RYUDHWBXSA-N 2 2 198.354 2.249 40 0 AEABLP CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC 19960817 167071928 /nfs/dbraw/zinc/07/19/28/167071928.db2.gz LTXCEJDUXAAADL-RYUDHWBXSA-N 2 2 198.354 2.249 40 0 AEABLP CCC[C@H]([NH3+])C[NH+]1CCCCCCC1 36873604 167083769 /nfs/dbraw/zinc/08/37/69/167083769.db2.gz WTKPQDADVZMBLA-LBPRGKRZSA-N 2 2 198.354 2.380 40 0 AEABLP CC[NH+](/C=C\C[NH+](CC)CC)CC 104066702 167124750 /nfs/dbraw/zinc/12/47/50/167124750.db2.gz HMIGJZWTFDLTBQ-KTKRTIGZSA-N 2 2 184.327 2.184 40 0 AEABLP CC[NH+](/C=C/C[NH+](CC)CC)CC 1604117 167125190 /nfs/dbraw/zinc/12/51/90/167125190.db2.gz HMIGJZWTFDLTBQ-MDZDMXLPSA-N 2 2 184.327 2.184 40 0 AEABLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)C 19960197 167205929 /nfs/dbraw/zinc/20/59/29/167205929.db2.gz ZEKHBDFXKNSITN-NWDGAFQWSA-N 2 2 198.354 2.105 40 0 AEABLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)C 19960197 167205930 /nfs/dbraw/zinc/20/59/30/167205930.db2.gz ZEKHBDFXKNSITN-NWDGAFQWSA-N 2 2 198.354 2.105 40 0 AEABLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)C 41051130 167206498 /nfs/dbraw/zinc/20/64/98/167206498.db2.gz AAUZNYXNBOCMCW-NSHDSACASA-N 2 2 198.354 2.106 40 0 AEABLP CC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)C 41051130 167206502 /nfs/dbraw/zinc/20/65/02/167206502.db2.gz AAUZNYXNBOCMCW-NSHDSACASA-N 2 2 198.354 2.106 40 0 AEABLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)C 19960201 167207212 /nfs/dbraw/zinc/20/72/12/167207212.db2.gz ZEKHBDFXKNSITN-RYUDHWBXSA-N 2 2 198.354 2.105 40 0 AEABLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)C 19960201 167207214 /nfs/dbraw/zinc/20/72/14/167207214.db2.gz ZEKHBDFXKNSITN-RYUDHWBXSA-N 2 2 198.354 2.105 40 0 AEABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)C 41051129 167207589 /nfs/dbraw/zinc/20/75/89/167207589.db2.gz AAUZNYXNBOCMCW-LLVKDONJSA-N 2 2 198.354 2.106 40 0 AEABLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)C 41051129 167207592 /nfs/dbraw/zinc/20/75/92/167207592.db2.gz AAUZNYXNBOCMCW-LLVKDONJSA-N 2 2 198.354 2.106 40 0 AEABLP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1CCC[NH2+]1 227648330 168424889 /nfs/dbraw/zinc/42/48/89/168424889.db2.gz IKSMAKBWWFHGQO-IJLUTSLNSA-N 2 2 196.338 2.001 40 0 AEABLP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1CC 20091984 343067657 /nfs/dbraw/zinc/06/76/57/343067657.db2.gz YDGZVZMIRHOJPM-RYUDHWBXSA-N 2 2 198.354 2.106 40 0 AEABLP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1CC 20091984 343067660 /nfs/dbraw/zinc/06/76/60/343067660.db2.gz YDGZVZMIRHOJPM-RYUDHWBXSA-N 2 2 198.354 2.106 40 0 AEABLP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CC 20091988 343067750 /nfs/dbraw/zinc/06/77/50/343067750.db2.gz YDGZVZMIRHOJPM-NWDGAFQWSA-N 2 2 198.354 2.106 40 0 AEABLP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+]1CC 20091988 343067753 /nfs/dbraw/zinc/06/77/53/343067753.db2.gz YDGZVZMIRHOJPM-NWDGAFQWSA-N 2 2 198.354 2.106 40 0 AEABLP CC(C)[C@@H]([NH3+])C[NH+]1CCCCCCC1 20266221 343070317 /nfs/dbraw/zinc/07/03/17/343070317.db2.gz VBTBOHXJGWUTJU-LBPRGKRZSA-N 2 2 198.354 2.236 40 0 AEABLP CC(C)[C@H]([NH3+])C[NH+]1CCCCCCC1 20266225 343070514 /nfs/dbraw/zinc/07/05/14/343070514.db2.gz VBTBOHXJGWUTJU-GFCCVEGCSA-N 2 2 198.354 2.236 40 0 AEABLP CCCC[NH+](CCCC)C[C@@H](C)[NH3+] 20485088 343073796 /nfs/dbraw/zinc/07/37/96/343073796.db2.gz LIVRFXLUVXRPEX-LLVKDONJSA-N 2 2 186.343 2.236 40 0 AEABLP CCCC[NH2+]C[C@H]1CCCC[N@@H+]1CC 22073516 343078644 /nfs/dbraw/zinc/07/86/44/343078644.db2.gz CXJIFEFJIHZQGE-GFCCVEGCSA-N 2 2 198.354 2.251 40 0 AEABLP CCCC[NH2+]C[C@H]1CCCC[N@H+]1CC 22073516 343078647 /nfs/dbraw/zinc/07/86/47/343078647.db2.gz CXJIFEFJIHZQGE-GFCCVEGCSA-N 2 2 198.354 2.251 40 0 AEABLP CCCC[NH2+]C[C@@H]1CCCC[N@@H+]1CC 22073514 343078955 /nfs/dbraw/zinc/07/89/55/343078955.db2.gz CXJIFEFJIHZQGE-LBPRGKRZSA-N 2 2 198.354 2.251 40 0 AEABLP CCCC[NH2+]C[C@@H]1CCCC[N@H+]1CC 22073514 343078958 /nfs/dbraw/zinc/07/89/58/343078958.db2.gz CXJIFEFJIHZQGE-LBPRGKRZSA-N 2 2 198.354 2.251 40 0 AEABLP CCC[C@H]([NH3+])C[N@H+](C)C1CCCCC1 36873558 343152015 /nfs/dbraw/zinc/15/20/15/343152015.db2.gz ODTRPPIQUKAVJU-NSHDSACASA-N 2 2 198.354 2.378 40 0 AEABLP CCC[C@H]([NH3+])C[N@@H+](C)C1CCCCC1 36873558 343152017 /nfs/dbraw/zinc/15/20/17/343152017.db2.gz ODTRPPIQUKAVJU-NSHDSACASA-N 2 2 198.354 2.378 40 0 AEABLP CCC[C@@H]([NH3+])C[NH+](CCC)CCC 36873515 343152040 /nfs/dbraw/zinc/15/20/40/343152040.db2.gz YNIAYYDFMNIJJU-LLVKDONJSA-N 2 2 186.343 2.236 40 0 AEABLP CCC[C@@H]([NH3+])C[N@@H+](C)C1CCCCC1 36873559 343152192 /nfs/dbraw/zinc/15/21/92/343152192.db2.gz ODTRPPIQUKAVJU-LLVKDONJSA-N 2 2 198.354 2.378 40 0 AEABLP CCC[C@H]([NH3+])C[NH+](CCC)CCC 36873514 343152237 /nfs/dbraw/zinc/15/22/37/343152237.db2.gz YNIAYYDFMNIJJU-NSHDSACASA-N 2 2 186.343 2.236 40 0 AEABLP Cc1[nH+]ccc2cc(C[NH3+])ccc12 39119712 343202063 /nfs/dbraw/zinc/20/20/63/343202063.db2.gz IMAKIBUHHGJONZ-UHFFFAOYSA-N 2 2 172.231 2.002 40 0 AEABLP CC(C)[C@H](C)[NH2+]CC[NH+]1CCCCC1 42223630 343238273 /nfs/dbraw/zinc/23/82/73/343238273.db2.gz AJXZZIRCRXIVIR-LBPRGKRZSA-N 2 2 198.354 2.106 40 0 AEABLP CCCC(CCC)[NH2+][C@@H]1CC[N@H+](C)C1 42544747 343245264 /nfs/dbraw/zinc/24/52/64/343245264.db2.gz PLHSVMWJUGVAMI-GFCCVEGCSA-N 2 2 198.354 2.249 40 0 AEABLP CCCC(CCC)[NH2+][C@@H]1CC[N@@H+](C)C1 42544747 343245267 /nfs/dbraw/zinc/24/52/67/343245267.db2.gz PLHSVMWJUGVAMI-GFCCVEGCSA-N 2 2 198.354 2.249 40 0 AEABLP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42545150 343245320 /nfs/dbraw/zinc/24/53/20/343245320.db2.gz JKYFTBWCBXJSBG-NWDGAFQWSA-N 2 2 198.354 2.249 40 0 AEABLP CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42545150 343245323 /nfs/dbraw/zinc/24/53/23/343245323.db2.gz JKYFTBWCBXJSBG-NWDGAFQWSA-N 2 2 198.354 2.249 40 0 AEABLP CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 42545154 343245357 /nfs/dbraw/zinc/24/53/57/343245357.db2.gz JKYFTBWCBXJSBG-RYUDHWBXSA-N 2 2 198.354 2.249 40 0 AEABLP CCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 42545152 343245467 /nfs/dbraw/zinc/24/54/67/343245467.db2.gz JKYFTBWCBXJSBG-NEPJUHHUSA-N 2 2 198.354 2.249 40 0 AEABLP CCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 42545152 343245470 /nfs/dbraw/zinc/24/54/70/343245470.db2.gz JKYFTBWCBXJSBG-NEPJUHHUSA-N 2 2 198.354 2.249 40 0 AEABLP C[N@@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 42543869 343245516 /nfs/dbraw/zinc/24/55/16/343245516.db2.gz NBGOEWXWZIHMRN-LBPRGKRZSA-N 2 2 196.338 2.003 40 0 AEABLP C[N@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 42543869 343245518 /nfs/dbraw/zinc/24/55/18/343245518.db2.gz NBGOEWXWZIHMRN-LBPRGKRZSA-N 2 2 196.338 2.003 40 0 AEABLP CCCCC[C@H](C)[N@@H+]1CCC[NH2+]CC1 44390168 343264649 /nfs/dbraw/zinc/26/46/49/343264649.db2.gz UMKXRRIJCOIRRH-LBPRGKRZSA-N 2 2 198.354 2.251 40 0 AEABLP CCCCC[C@H](C)[N@H+]1CCC[NH2+]CC1 44390168 343264651 /nfs/dbraw/zinc/26/46/51/343264651.db2.gz UMKXRRIJCOIRRH-LBPRGKRZSA-N 2 2 198.354 2.251 40 0 AEABLP CCCCC[C@@H](C)[N@@H+]1CCC[NH2+]CC1 44390165 343264688 /nfs/dbraw/zinc/26/46/88/343264688.db2.gz UMKXRRIJCOIRRH-GFCCVEGCSA-N 2 2 198.354 2.251 40 0 AEABLP CCCCC[C@@H](C)[N@H+]1CCC[NH2+]CC1 44390165 343264689 /nfs/dbraw/zinc/26/46/89/343264689.db2.gz UMKXRRIJCOIRRH-GFCCVEGCSA-N 2 2 198.354 2.251 40 0 AEABLP CC[C@H](C)C[NH2+]CC[NH+]1CCCCC1 49574713 343276132 /nfs/dbraw/zinc/27/61/32/343276132.db2.gz REGCCNXDSAKJHP-LBPRGKRZSA-N 2 2 198.354 2.108 40 0 AEABLP CC[C@H](c1ccccc1)[N@H+](C)CC[NH3+] 54416794 343323812 /nfs/dbraw/zinc/32/38/12/343323812.db2.gz BOCVJAVEUDWTDU-GFCCVEGCSA-N 2 2 192.306 2.028 40 0 AEABLP CC[C@@H](c1ccccc1)[N@H+](C)CC[NH3+] 54416793 343323847 /nfs/dbraw/zinc/32/38/47/343323847.db2.gz BOCVJAVEUDWTDU-LBPRGKRZSA-N 2 2 192.306 2.028 40 0 AEABLP CC[C@@H](c1ccccc1)[N@@H+](C)CC[NH3+] 54416793 343323849 /nfs/dbraw/zinc/32/38/49/343323849.db2.gz BOCVJAVEUDWTDU-LBPRGKRZSA-N 2 2 192.306 2.028 40 0 AEABLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)C 101574199 343724053 /nfs/dbraw/zinc/72/40/53/343724053.db2.gz ZEKHBDFXKNSITN-VXGBXAGGSA-N 2 2 198.354 2.105 40 0 AEABLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)C 101574199 343724056 /nfs/dbraw/zinc/72/40/56/343724056.db2.gz ZEKHBDFXKNSITN-VXGBXAGGSA-N 2 2 198.354 2.105 40 0 AEABLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)C 101574206 343724208 /nfs/dbraw/zinc/72/42/08/343724208.db2.gz ZEKHBDFXKNSITN-NEPJUHHUSA-N 2 2 198.354 2.105 40 0 AEABLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)C 101574206 343724211 /nfs/dbraw/zinc/72/42/11/343724211.db2.gz ZEKHBDFXKNSITN-NEPJUHHUSA-N 2 2 198.354 2.105 40 0 AEABLP CCCC[N@H+]1C=CC(C(=[NH2+])N=O)=CC1 136255366 343978674 /nfs/dbraw/zinc/97/86/74/343978674.db2.gz UHSIYPRQFIJDKG-UHFFFAOYSA-N 2 2 193.250 2.066 40 0 AEABLP CCCC[N@@H+]1C=CC(C(=[NH2+])N=O)=CC1 136255366 343978676 /nfs/dbraw/zinc/97/86/76/343978676.db2.gz UHSIYPRQFIJDKG-UHFFFAOYSA-N 2 2 193.250 2.066 40 0 AEABLP c1cc2[nH]c3cc[nH+]cc3c2c[nH+]1 11535657 351360019 /nfs/dbraw/zinc/36/00/19/351360019.db2.gz PHHUQAFGPIDWPU-UHFFFAOYSA-N 2 2 169.187 2.111 40 0 AEABLP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CC 20091986 351399662 /nfs/dbraw/zinc/39/96/62/351399662.db2.gz YDGZVZMIRHOJPM-VXGBXAGGSA-N 2 2 198.354 2.106 40 0 AEABLP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+]1CC 20091986 351399667 /nfs/dbraw/zinc/39/96/67/351399667.db2.gz YDGZVZMIRHOJPM-VXGBXAGGSA-N 2 2 198.354 2.106 40 0 AEABLP CC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1CC 20091982 351399820 /nfs/dbraw/zinc/39/98/20/351399820.db2.gz YDGZVZMIRHOJPM-NEPJUHHUSA-N 2 2 198.354 2.106 40 0 AEABLP 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