smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH2+][C@H](CC)Cc1ccccc1 13883414 537778743 /nfs/dbraw/zinc/77/87/43/537778743.db2.gz IQNDVEUJIFBSFD-CYBMUJFWSA-N 1 0 191.318 3.007 20 0 AGADRO CC1CC[NH+](CC2CCCCC2)CC1 13449629 537779413 /nfs/dbraw/zinc/77/94/13/537779413.db2.gz BKRYAPWEMVBTBQ-UHFFFAOYSA-N 1 0 195.350 3.299 20 0 AGADRO CC[C@H](C)[C@@H](C)[NH2+]C(C1CC1)C1CC1 20131484 537780056 /nfs/dbraw/zinc/78/00/56/537780056.db2.gz QJLSJNMNJSBVFC-VHSXEESVSA-N 1 0 195.350 3.199 20 0 AGADRO CCCC[C@@H](CC)C[NH2+]C(C)C 20124522 537780892 /nfs/dbraw/zinc/78/08/92/537780892.db2.gz OSJSTTFGONRKQM-LLVKDONJSA-N 1 0 171.328 3.201 20 0 AGADRO CCCC[C@H](CC)C[NH2+]C(C)C 20124523 537780914 /nfs/dbraw/zinc/78/09/14/537780914.db2.gz OSJSTTFGONRKQM-NSHDSACASA-N 1 0 171.328 3.201 20 0 AGADRO CCC[NH2+][C@H](C)CCCC(C)C 20138782 537780919 /nfs/dbraw/zinc/78/09/19/537780919.db2.gz XIVRBAHCDGJTNF-LLVKDONJSA-N 1 0 171.328 3.201 20 0 AGADRO CC[C@@H](C)C[NH2+][C@@H](C)c1cccs1 20148610 537780933 /nfs/dbraw/zinc/78/09/33/537780933.db2.gz LJVOCDNHGGREIP-ZJUUUORDSA-N 1 0 197.347 3.445 20 0 AGADRO CC[C@H](C)[NH2+]CCC1=CCCCC1 20093744 537781026 /nfs/dbraw/zinc/78/10/26/537781026.db2.gz INOKVARPJGQFOJ-NSHDSACASA-N 1 0 181.323 3.265 20 0 AGADRO CCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC 20087106 537781041 /nfs/dbraw/zinc/78/10/41/537781041.db2.gz GCWUKRYKKNAHJT-DCAQKATOSA-N 1 0 171.328 3.199 20 0 AGADRO CCC[NH2+][C@H](CC)c1cccs1 20084283 537781048 /nfs/dbraw/zinc/78/10/48/537781048.db2.gz WNNJMYYFBPPWHQ-SECBINFHSA-N 1 0 183.320 3.199 20 0 AGADRO CC[C@H](C)C[NH2+][C@@H](C)c1cccs1 20148611 537781088 /nfs/dbraw/zinc/78/10/88/537781088.db2.gz LJVOCDNHGGREIP-UWVGGRQHSA-N 1 0 197.347 3.445 20 0 AGADRO CC[C@H](C)C[NH2+][C@H](C)c1cccs1 20148613 537781226 /nfs/dbraw/zinc/78/12/26/537781226.db2.gz LJVOCDNHGGREIP-VHSXEESVSA-N 1 0 197.347 3.445 20 0 AGADRO CCC[NH2+][C@@H](CC)c1cccs1 20084280 537781370 /nfs/dbraw/zinc/78/13/70/537781370.db2.gz WNNJMYYFBPPWHQ-VIFPVBQESA-N 1 0 183.320 3.199 20 0 AGADRO CC[C@@H](C)[C@@H](C)[NH2+]C(C1CC1)C1CC1 20131481 537781928 /nfs/dbraw/zinc/78/19/28/537781928.db2.gz QJLSJNMNJSBVFC-NXEZZACHSA-N 1 0 195.350 3.199 20 0 AGADRO CCC(CC)[NH2+][C@H](C)[C@H](C)CC 20133033 537781944 /nfs/dbraw/zinc/78/19/44/537781944.db2.gz IGJFUEIFCHPWIG-NXEZZACHSA-N 1 0 171.328 3.199 20 0 AGADRO CCC(CC)[NH2+][C@H](C)[C@@H](C)CC 20133035 537781983 /nfs/dbraw/zinc/78/19/83/537781983.db2.gz IGJFUEIFCHPWIG-VHSXEESVSA-N 1 0 171.328 3.199 20 0 AGADRO CC[C@H]([NH2+]CC1CC1)c1cccs1 20086266 537782071 /nfs/dbraw/zinc/78/20/71/537782071.db2.gz XJAZRKCYDOEWJF-JTQLQIEISA-N 1 0 195.331 3.199 20 0 AGADRO CCC[NH2+][C@@H](C)c1cc(C)sc1C 20084318 537782350 /nfs/dbraw/zinc/78/23/50/537782350.db2.gz KHNFCEMIXCCCMO-VIFPVBQESA-N 1 0 197.347 3.426 20 0 AGADRO CC[C@@H](C)[C@H](C)[NH2+]C(C1CC1)C1CC1 20131486 537782534 /nfs/dbraw/zinc/78/25/34/537782534.db2.gz QJLSJNMNJSBVFC-ZJUUUORDSA-N 1 0 195.350 3.199 20 0 AGADRO CC[C@H](C)[C@H](C)[NH2+]C(C1CC1)C1CC1 20131487 537782541 /nfs/dbraw/zinc/78/25/41/537782541.db2.gz QJLSJNMNJSBVFC-UWVGGRQHSA-N 1 0 195.350 3.199 20 0 AGADRO CCC(CC)C[NH2+]C(C1CC1)C1CC1 20130800 537782654 /nfs/dbraw/zinc/78/26/54/537782654.db2.gz NNSFEFYBUSBTEY-UHFFFAOYSA-N 1 0 195.350 3.201 20 0 AGADRO CC[C@@H](C)[NH2+]CCC1=CCCCC1 20093742 537782677 /nfs/dbraw/zinc/78/26/77/537782677.db2.gz INOKVARPJGQFOJ-LLVKDONJSA-N 1 0 181.323 3.265 20 0 AGADRO CC[C@@H](C)C[NH2+][C@H](C)c1cccs1 20148612 537782823 /nfs/dbraw/zinc/78/28/23/537782823.db2.gz LJVOCDNHGGREIP-NXEZZACHSA-N 1 0 197.347 3.445 20 0 AGADRO CC[C@@H]([NH2+]CC1CC1)c1cccs1 20086264 537782842 /nfs/dbraw/zinc/78/28/42/537782842.db2.gz XJAZRKCYDOEWJF-SNVBAGLBSA-N 1 0 195.331 3.199 20 0 AGADRO CCC(CC)[NH2+][C@@H](C)[C@H](C)CC 20133037 537782900 /nfs/dbraw/zinc/78/29/00/537782900.db2.gz IGJFUEIFCHPWIG-ZJUUUORDSA-N 1 0 171.328 3.199 20 0 AGADRO CCC[NH2+][C@@H](C)CCCC(C)C 20138779 537782972 /nfs/dbraw/zinc/78/29/72/537782972.db2.gz XIVRBAHCDGJTNF-NSHDSACASA-N 1 0 171.328 3.201 20 0 AGADRO Cc1cc([C@@H](C)[NH2+]C(C)C)c(C)s1 20085539 537783109 /nfs/dbraw/zinc/78/31/09/537783109.db2.gz WAKAUAFBMKQCCM-SECBINFHSA-N 1 0 197.347 3.424 20 0 AGADRO CCC(CC)[NH2+][C@@H](C)[C@@H](C)CC 20133039 537783491 /nfs/dbraw/zinc/78/34/91/537783491.db2.gz IGJFUEIFCHPWIG-UWVGGRQHSA-N 1 0 171.328 3.199 20 0 AGADRO CCC[C@H](C)[NH2+][C@H](C)[C@@H](C)CC 20087110 537783503 /nfs/dbraw/zinc/78/35/03/537783503.db2.gz GCWUKRYKKNAHJT-GARJFASQSA-N 1 0 171.328 3.199 20 0 AGADRO CCCC[NH2+][C@H](C)c1cc(C)oc1C 20437765 537783881 /nfs/dbraw/zinc/78/38/81/537783881.db2.gz PJVWEDAJAPYIPE-SNVBAGLBSA-N 1 0 195.306 3.347 20 0 AGADRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)oc1C 20437371 537783923 /nfs/dbraw/zinc/78/39/23/537783923.db2.gz HEDGJKDRPOMZQZ-SCZZXKLOSA-N 1 0 195.306 3.346 20 0 AGADRO CC(C)[C@H](C)[NH2+]CC1CCCCC1 20306262 537784114 /nfs/dbraw/zinc/78/41/14/537784114.db2.gz DORXSXWUMDNNDD-NSHDSACASA-N 1 0 183.339 3.201 20 0 AGADRO Cc1cc([C@@H](C)[NH2+]CC(C)C)c(C)o1 20437389 537784284 /nfs/dbraw/zinc/78/42/84/537784284.db2.gz GCOXDSQXZBQAFY-SNVBAGLBSA-N 1 0 195.306 3.203 20 0 AGADRO CCCC[NH2+][C@@H](C)c1cc(C)oc1C 20437761 537784488 /nfs/dbraw/zinc/78/44/88/537784488.db2.gz PJVWEDAJAPYIPE-JTQLQIEISA-N 1 0 195.306 3.347 20 0 AGADRO CC[C@H](C)[NH2+][C@@H](C)c1cc(C)oc1C 20437376 537784504 /nfs/dbraw/zinc/78/45/04/537784504.db2.gz HEDGJKDRPOMZQZ-WPRPVWTQSA-N 1 0 195.306 3.346 20 0 AGADRO CC[C@@H](C)[NH2+][C@H](C)c1cc(C)oc1C 20437379 537785161 /nfs/dbraw/zinc/78/51/61/537785161.db2.gz HEDGJKDRPOMZQZ-PSASIEDQSA-N 1 0 195.306 3.346 20 0 AGADRO Cc1cc([C@H](C)[NH2+]CC(C)C)c(C)o1 20437385 537785236 /nfs/dbraw/zinc/78/52/36/537785236.db2.gz GCOXDSQXZBQAFY-JTQLQIEISA-N 1 0 195.306 3.203 20 0 AGADRO CCC[NH+](CCC)CCC(C)C 32162012 537789644 /nfs/dbraw/zinc/78/96/44/537789644.db2.gz RFUPECOMRWJNES-UHFFFAOYSA-N 1 0 171.328 3.155 20 0 AGADRO CCCCC[N@@H+]1CCCC[C@@H]1C 33951185 537791289 /nfs/dbraw/zinc/79/12/89/537791289.db2.gz ZAKOYWKTJPXFDK-NSHDSACASA-N 1 0 169.312 3.051 20 0 AGADRO CCCCC[N@@H+]1CCCC[C@H]1C 33951186 537791360 /nfs/dbraw/zinc/79/13/60/537791360.db2.gz ZAKOYWKTJPXFDK-LLVKDONJSA-N 1 0 169.312 3.051 20 0 AGADRO CCCC[N@H+](CC)Cc1ccccc1 34742170 537791631 /nfs/dbraw/zinc/79/16/31/537791631.db2.gz YAQHSYNGRLVMMF-UHFFFAOYSA-N 1 0 191.318 3.309 20 0 AGADRO CC[NH+](CC)CCCC(C)(C)C 34080185 537791737 /nfs/dbraw/zinc/79/17/37/537791737.db2.gz VHSDZLDHVJHEOC-UHFFFAOYSA-N 1 0 171.328 3.155 20 0 AGADRO CC(C)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 34344343 537792066 /nfs/dbraw/zinc/79/20/66/537792066.db2.gz YLWRAATWVPSFBI-JHJVBQTASA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(C)C 34958839 537792230 /nfs/dbraw/zinc/79/22/30/537792230.db2.gz IEYINWHPRIBNJI-DCAQKATOSA-N 1 0 171.328 3.055 20 0 AGADRO CC(C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 34344341 537792545 /nfs/dbraw/zinc/79/25/45/537792545.db2.gz YLWRAATWVPSFBI-YNEHKIRRSA-N 1 0 195.350 3.343 20 0 AGADRO Cc1ccccc1[C@@H](C)[NH+]1CCCC1 34562521 537792994 /nfs/dbraw/zinc/79/29/94/537792994.db2.gz JNJXKVMPDSBAFS-GFCCVEGCSA-N 1 0 189.302 3.152 20 0 AGADRO CCCCN(CC)c1ccccc1 34060839 537793292 /nfs/dbraw/zinc/79/32/92/537793292.db2.gz DDKZXSNRYKHKQK-UHFFFAOYSA-N 1 0 177.291 3.313 20 0 AGADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(C)C 34958837 537793830 /nfs/dbraw/zinc/79/38/30/537793830.db2.gz IEYINWHPRIBNJI-GARJFASQSA-N 1 0 171.328 3.055 20 0 AGADRO CCC[NH2+][C@H](c1cccs1)C1CC1 35581264 537795755 /nfs/dbraw/zinc/79/57/55/537795755.db2.gz YMOTXRHVPJQYHL-NSHDSACASA-N 1 0 195.331 3.199 20 0 AGADRO CCC[NH2+][C@H](c1ccccc1)C1CC1 35576012 537795991 /nfs/dbraw/zinc/79/59/91/537795991.db2.gz IQNHSEADFOTHRI-CYBMUJFWSA-N 1 0 189.302 3.137 20 0 AGADRO CCC[NH2+][C@H](C)c1ccc(CC)s1 35573508 537796167 /nfs/dbraw/zinc/79/61/67/537796167.db2.gz YPVXBOVSOOCGBN-SECBINFHSA-N 1 0 197.347 3.371 20 0 AGADRO CC[NH2+][C@@H](CC)c1cc(F)ccc1F 35543469 537797401 /nfs/dbraw/zinc/79/74/01/537797401.db2.gz OYJNFAMFUTXHIP-NSHDSACASA-N 1 0 199.244 3.025 20 0 AGADRO CCC[NH2+][C@@H](c1cccs1)C1CC1 35581263 537797422 /nfs/dbraw/zinc/79/74/22/537797422.db2.gz YMOTXRHVPJQYHL-LLVKDONJSA-N 1 0 195.331 3.199 20 0 AGADRO CCC[NH2+][C@@H](C)c1ccc(CC)s1 35573507 537797563 /nfs/dbraw/zinc/79/75/63/537797563.db2.gz YPVXBOVSOOCGBN-VIFPVBQESA-N 1 0 197.347 3.371 20 0 AGADRO CC[NH2+][C@H](CC)c1cc(F)ccc1F 35543471 537797826 /nfs/dbraw/zinc/79/78/26/537797826.db2.gz OYJNFAMFUTXHIP-LLVKDONJSA-N 1 0 199.244 3.025 20 0 AGADRO CCC[NH2+][C@@H](c1ccccc1)C1CC1 35576009 537798498 /nfs/dbraw/zinc/79/84/98/537798498.db2.gz IQNHSEADFOTHRI-ZDUSSCGKSA-N 1 0 189.302 3.137 20 0 AGADRO CC(C)CCC[C@@H](C)[NH2+]CC1CC1 36882459 537799974 /nfs/dbraw/zinc/79/99/74/537799974.db2.gz JNIVQSGPGACWJP-LLVKDONJSA-N 1 0 183.339 3.201 20 0 AGADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccco1 35738637 537800073 /nfs/dbraw/zinc/80/00/73/537800073.db2.gz FFORSTMCOZURRE-DCAQKATOSA-N 1 0 195.306 3.365 20 0 AGADRO CCCC[C@@H](CC)C[NH2+]CC1CC1 36882428 537801017 /nfs/dbraw/zinc/80/10/17/537801017.db2.gz FLNCDPAWOCQYGP-LLVKDONJSA-N 1 0 183.339 3.202 20 0 AGADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccco1 35738635 537801526 /nfs/dbraw/zinc/80/15/26/537801526.db2.gz FFORSTMCOZURRE-AXFHLTTASA-N 1 0 195.306 3.365 20 0 AGADRO CCCC[C@H](CC)C[NH2+]CC1CC1 36882429 537801762 /nfs/dbraw/zinc/80/17/62/537801762.db2.gz FLNCDPAWOCQYGP-NSHDSACASA-N 1 0 183.339 3.202 20 0 AGADRO CC(C)CCC[C@H](C)[NH2+]CC1CC1 36882460 537803587 /nfs/dbraw/zinc/80/35/87/537803587.db2.gz JNIVQSGPGACWJP-NSHDSACASA-N 1 0 183.339 3.201 20 0 AGADRO CCC[NH2+]C[C@H](CC)c1ccccc1 36947883 537804477 /nfs/dbraw/zinc/80/44/77/537804477.db2.gz QUYYGUVRBUCSAF-LBPRGKRZSA-N 1 0 191.318 3.180 20 0 AGADRO CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CC 37031862 537804548 /nfs/dbraw/zinc/80/45/48/537804548.db2.gz MPLIUJWZJWFVIL-SRVKXCTJSA-N 1 0 183.339 3.343 20 0 AGADRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccco1 37118146 537804718 /nfs/dbraw/zinc/80/47/18/537804718.db2.gz KBMFMRVKRUFSQA-WDEREUQCSA-N 1 0 195.306 3.365 20 0 AGADRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccco1 37118144 537804815 /nfs/dbraw/zinc/80/48/15/537804815.db2.gz KBMFMRVKRUFSQA-QWRGUYRKSA-N 1 0 195.306 3.365 20 0 AGADRO CC[C@H](C)[NH2+][C@@H](C)Cc1cccs1 36992837 537804831 /nfs/dbraw/zinc/80/48/31/537804831.db2.gz FLJQMVDOGFTXBP-UWVGGRQHSA-N 1 0 197.347 3.067 20 0 AGADRO C1CCC(CCC[NH2+]C2CC2)CC1 36947965 537805202 /nfs/dbraw/zinc/80/52/02/537805202.db2.gz LFDSPCLACWEAAB-UHFFFAOYSA-N 1 0 181.323 3.099 20 0 AGADRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccco1 37118145 537806063 /nfs/dbraw/zinc/80/60/63/537806063.db2.gz KBMFMRVKRUFSQA-GHMZBOCLSA-N 1 0 195.306 3.365 20 0 AGADRO CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CC 37031864 537806079 /nfs/dbraw/zinc/80/60/79/537806079.db2.gz MPLIUJWZJWFVIL-SDDRHHMPSA-N 1 0 183.339 3.343 20 0 AGADRO CC(C)[NH2+]CCCC1CCCCC1 36947915 537806428 /nfs/dbraw/zinc/80/64/28/537806428.db2.gz LDWJVGNMCQQJKP-UHFFFAOYSA-N 1 0 183.339 3.345 20 0 AGADRO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 37021689 537806433 /nfs/dbraw/zinc/80/64/33/537806433.db2.gz SIFDYKHNZCTTJQ-QNWHQSFQSA-N 1 0 197.366 3.445 20 0 AGADRO CC[C@H](C)[NH2+][C@H](C)Cc1cccs1 36992839 537806683 /nfs/dbraw/zinc/80/66/83/537806683.db2.gz FLJQMVDOGFTXBP-VHSXEESVSA-N 1 0 197.347 3.067 20 0 AGADRO CC[C@@H](C)[NH2+][C@H](C)Cc1cccs1 36992838 537806790 /nfs/dbraw/zinc/80/67/90/537806790.db2.gz FLJQMVDOGFTXBP-NXEZZACHSA-N 1 0 197.347 3.067 20 0 AGADRO CC(C)[NH2+]CC[C@@H](C)CC(C)(C)C 36947890 537806951 /nfs/dbraw/zinc/80/69/51/537806951.db2.gz YTYQISOTSRZVHG-LLVKDONJSA-N 1 0 185.355 3.447 20 0 AGADRO CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CC 37031861 537807110 /nfs/dbraw/zinc/80/71/10/537807110.db2.gz MPLIUJWZJWFVIL-TUAOUCFPSA-N 1 0 183.339 3.343 20 0 AGADRO CC[C@@H](C[NH2+]C(C)C)c1ccccc1 36923789 537807143 /nfs/dbraw/zinc/80/71/43/537807143.db2.gz RKQKGLBTTXJCNQ-LBPRGKRZSA-N 1 0 191.318 3.178 20 0 AGADRO CC(C)[NH2+]CCCCc1ccccc1 36947894 537807505 /nfs/dbraw/zinc/80/75/05/537807505.db2.gz WZMJCKVFIIUNOJ-UHFFFAOYSA-N 1 0 191.318 3.007 20 0 AGADRO CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CC 37031863 537807904 /nfs/dbraw/zinc/80/79/04/537807904.db2.gz MPLIUJWZJWFVIL-QJPTWQEYSA-N 1 0 183.339 3.343 20 0 AGADRO CCC[NH2+]C[C@@H](CC)c1ccccc1 36947882 537807978 /nfs/dbraw/zinc/80/79/78/537807978.db2.gz QUYYGUVRBUCSAF-GFCCVEGCSA-N 1 0 191.318 3.180 20 0 AGADRO CC[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 36992836 537808144 /nfs/dbraw/zinc/80/81/44/537808144.db2.gz FLJQMVDOGFTXBP-ZJUUUORDSA-N 1 0 197.347 3.067 20 0 AGADRO CC(C)[NH2+]CC[C@H](C)CC(C)(C)C 36947891 537808158 /nfs/dbraw/zinc/80/81/58/537808158.db2.gz YTYQISOTSRZVHG-NSHDSACASA-N 1 0 185.355 3.447 20 0 AGADRO CC[C@H](C[NH2+]C(C)C)c1ccccc1 36923791 537808246 /nfs/dbraw/zinc/80/82/46/537808246.db2.gz RKQKGLBTTXJCNQ-GFCCVEGCSA-N 1 0 191.318 3.178 20 0 AGADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccco1 37118143 537808373 /nfs/dbraw/zinc/80/83/73/537808373.db2.gz KBMFMRVKRUFSQA-MNOVXSKESA-N 1 0 195.306 3.365 20 0 AGADRO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 37021688 537808738 /nfs/dbraw/zinc/80/87/38/537808738.db2.gz SIFDYKHNZCTTJQ-FVCCEPFGSA-N 1 0 197.366 3.445 20 0 AGADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@H](C)C1 37253845 537809397 /nfs/dbraw/zinc/80/93/97/537809397.db2.gz PNRORBFISNQWNV-SRVKXCTJSA-N 1 0 183.339 3.201 20 0 AGADRO CCCC[C@@H](C)[NH2+]C(CC)CC 37186974 537809742 /nfs/dbraw/zinc/80/97/42/537809742.db2.gz GMOKOQRJNZHDMN-SNVBAGLBSA-N 1 0 171.328 3.343 20 0 AGADRO CC[C@@H]([NH2+]CC1CCCC1)C(C)C 37254923 537809836 /nfs/dbraw/zinc/80/98/36/537809836.db2.gz TUEHPSKNHWSJFR-GFCCVEGCSA-N 1 0 183.339 3.201 20 0 AGADRO CCC1CCC([NH2+]CC2CCC2)CC1 37180283 537810117 /nfs/dbraw/zinc/81/01/17/537810117.db2.gz DXRSQPFFDVZUEQ-UHFFFAOYSA-N 1 0 195.350 3.345 20 0 AGADRO CCCCC[NH2+][C@H](CC)C(C)C 37188825 537810653 /nfs/dbraw/zinc/81/06/53/537810653.db2.gz RLVGENSPJSQLKM-LLVKDONJSA-N 1 0 171.328 3.201 20 0 AGADRO CCCC[C@H](C)[NH2+]CC1CCCC1 37254919 537810678 /nfs/dbraw/zinc/81/06/78/537810678.db2.gz KJNVMZWPXPOHEZ-NSHDSACASA-N 1 0 183.339 3.345 20 0 AGADRO 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CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(C)C 388681373 538436452 /nfs/dbraw/zinc/43/64/52/538436452.db2.gz AGWGUOZWOJARFT-NEPJUHHUSA-N 1 0 183.339 3.295 20 0 AGADRO CC[C@H](C)C[N@H+](CC)CC=C(C)C 388716218 538436665 /nfs/dbraw/zinc/43/66/65/538436665.db2.gz QXGVTLDJBIARPJ-LBPRGKRZSA-N 1 0 183.339 3.321 20 0 AGADRO CC1(CC[NH2+]C2CCCCC2)CC1 388702345 538436771 /nfs/dbraw/zinc/43/67/71/538436771.db2.gz NNNJVRUOQXLZTJ-UHFFFAOYSA-N 1 0 181.323 3.099 20 0 AGADRO CC[C@@H](C)C[N@H+](CC)CC=C(C)C 388716217 538436832 /nfs/dbraw/zinc/43/68/32/538436832.db2.gz QXGVTLDJBIARPJ-GFCCVEGCSA-N 1 0 183.339 3.321 20 0 AGADRO CCCC[N@H+](CC1CCC1)C(C)C 388703983 538436931 /nfs/dbraw/zinc/43/69/31/538436931.db2.gz NZHMTRCOWFGJIT-UHFFFAOYSA-N 1 0 183.339 3.297 20 0 AGADRO CC[C@@H](C)C[NH2+]CC1(CC(C)C)CC1 388762390 538437033 /nfs/dbraw/zinc/43/70/33/538437033.db2.gz VRMUXDCMJIWLNX-GFCCVEGCSA-N 1 0 197.366 3.448 20 0 AGADRO CC[C@H](C)[C@@H](C)[NH2+]C1CC(C)(C)C1 388772363 538437038 /nfs/dbraw/zinc/43/70/38/538437038.db2.gz 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388778201 538437366 /nfs/dbraw/zinc/43/73/66/538437366.db2.gz IWRPTSWYZBEYMY-NSHDSACASA-N 1 0 189.318 3.247 20 0 AGADRO CC[C@H](C)C[N@H+](CC)CC1(C)CC1 388766937 538437291 /nfs/dbraw/zinc/43/72/91/538437291.db2.gz FVPBLAAFFGTTOO-NSHDSACASA-N 1 0 183.339 3.155 20 0 AGADRO CCC(C)(C)[N@H+](C)CCCCCF 388748910 538437397 /nfs/dbraw/zinc/43/73/97/538437397.db2.gz ZQKQCXDFURZPEH-UHFFFAOYSA-N 1 0 189.318 3.247 20 0 AGADRO CCC(CC)(CC)[NH2+]CCCCF 388781564 538437400 /nfs/dbraw/zinc/43/74/00/538437400.db2.gz JOYCIJAYMQNVIP-UHFFFAOYSA-N 1 0 189.318 3.295 20 0 AGADRO CC[C@@H](C)[C@@H](C)[NH2+]C1CC(C)(C)C1 388772350 538437470 /nfs/dbraw/zinc/43/74/70/538437470.db2.gz HFYJTUKBHRNGFX-NXEZZACHSA-N 1 0 183.339 3.199 20 0 AGADRO CC[C@H](C)[C@H](C)[NH2+]C1CC(C)(C)C1 388772358 538437521 /nfs/dbraw/zinc/43/75/21/538437521.db2.gz HFYJTUKBHRNGFX-UWVGGRQHSA-N 1 0 183.339 3.199 20 0 AGADRO CCCC[N@@H+]1CCC[C@H](C(C)C)C1 388803506 538437585 /nfs/dbraw/zinc/43/75/85/538437585.db2.gz PLNUKOIBCROXEV-LBPRGKRZSA-N 1 0 183.339 3.155 20 0 AGADRO C[C@H]1CCCC[N@@H+]1CCCCCF 388804878 538437631 /nfs/dbraw/zinc/43/76/31/538437631.db2.gz PSDUPTCIYKWJCD-NSHDSACASA-N 1 0 187.302 3.001 20 0 AGADRO CC(C)CCC[N@@H+]1[C@@H](C)CC[C@H]1C 388792631 538437636 /nfs/dbraw/zinc/43/76/36/538437636.db2.gz MFJUAINVFSNZNF-TXEJJXNPSA-N 1 0 183.339 3.295 20 0 AGADRO C[C@@H]1CCCC[N@@H+]1CCCCCF 388804876 538437677 /nfs/dbraw/zinc/43/76/77/538437677.db2.gz PSDUPTCIYKWJCD-LLVKDONJSA-N 1 0 187.302 3.001 20 0 AGADRO CC[C@H]1CC[N@H+](CCC(C)(C)C)C1 388794100 538437724 /nfs/dbraw/zinc/43/77/24/538437724.db2.gz MUMLJILIXBEAHF-NSHDSACASA-N 1 0 183.339 3.155 20 0 AGADRO CCC[C@@H]([NH2+]CCF)c1ccccc1 388802643 538437755 /nfs/dbraw/zinc/43/77/55/538437755.db2.gz NNQDXLVTDMPENP-GFCCVEGCSA-N 1 0 195.281 3.087 20 0 AGADRO CCCC[N@@H+]1CCC[C@@H](C(C)C)C1 388803504 538437851 /nfs/dbraw/zinc/43/78/51/538437851.db2.gz PLNUKOIBCROXEV-GFCCVEGCSA-N 1 0 183.339 3.155 20 0 AGADRO CC(C)CC(CC(C)C)[NH2+]CCF 388801719 538437853 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/nfs/dbraw/zinc/53/58/22/572535822.db2.gz PDVASWJXTJCNAG-UHFFFAOYSA-N 1 0 197.366 3.448 20 0 AGADRO C[C@H]([NH2+]C/C=C\Cl)c1ccccc1 308112360 572754288 /nfs/dbraw/zinc/75/42/88/572754288.db2.gz ZMKYSBTXSZIKIY-NVDWLVSRSA-N 1 0 195.693 3.090 20 0 AGADRO CC[C@@H]1CCC[C@H]1C[NH2+]CC(C)C 87960124 572777759 /nfs/dbraw/zinc/77/77/59/572777759.db2.gz MBHKFXJCCUVULU-NEPJUHHUSA-N 1 0 183.339 3.058 20 0 AGADRO CC/C=C/CC[N@H+](CC)C(C)C 307978155 572891839 /nfs/dbraw/zinc/89/18/39/572891839.db2.gz MWSVRKGEWMPQRR-BQYQJAHWSA-N 1 0 169.312 3.073 20 0 AGADRO Cl/C=C\C[N@@H+]1CCC[C@@H]1C1CCC1 308195134 572926012 /nfs/dbraw/zinc/92/60/12/572926012.db2.gz RROLREMJUFYDQS-KGHNQEBZSA-N 1 0 199.725 3.003 20 0 AGADRO CCCC[C@@H](C)[NH2+]CCCC(F)F 688733280 573051695 /nfs/dbraw/zinc/05/16/95/573051695.db2.gz CTXOXOZKSDEMKE-SECBINFHSA-N 1 0 193.281 3.200 20 0 AGADRO CCCCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 308490843 573081163 /nfs/dbraw/zinc/08/11/63/573081163.db2.gz QQOJIEPDWRBIFG-YNEHKIRRSA-N 1 0 195.350 3.345 20 0 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1 0 193.334 3.099 20 0 AGADRO CCC[C@@H](C)[N@@H+]1CC[C@](C)(CC)C1 393548585 573687355 /nfs/dbraw/zinc/68/73/55/573687355.db2.gz LYITYCPJJPPFKB-NEPJUHHUSA-N 1 0 183.339 3.297 20 0 AGADRO CC(C)(C)CC[NH2+]CCCC(F)F 688732658 573691884 /nfs/dbraw/zinc/69/18/84/573691884.db2.gz AVVJHZSHEWRNCS-UHFFFAOYSA-N 1 0 193.281 3.058 20 0 AGADRO C[C@H]1CCCC[C@]1(C)[NH2+]CCC1CC1 308711036 573767209 /nfs/dbraw/zinc/76/72/09/573767209.db2.gz ODJDHFBUSZPLSQ-AAEUAGOBSA-N 1 0 195.350 3.345 20 0 AGADRO CCCCCC[N@H+](C)C1CCCC1 308435600 573772515 /nfs/dbraw/zinc/77/25/15/573772515.db2.gz WEYSEIGPFJGOGY-UHFFFAOYSA-N 1 0 183.339 3.441 20 0 AGADRO CCC(C)(C)C1CCC2(CC[NH2+]2)CC1 84179054 573786955 /nfs/dbraw/zinc/78/69/55/573786955.db2.gz HHUKXCIMRZTNEF-UHFFFAOYSA-N 1 0 195.350 3.345 20 0 AGADRO Cc1ccc(NCCC(C)C)c(C)n1 87151552 573803381 /nfs/dbraw/zinc/80/33/81/573803381.db2.gz JAYCPFFNCYUZBQ-UHFFFAOYSA-N 1 0 192.306 3.156 20 0 AGADRO [NH3+]Cc1csc2cccc(Cl)c12 257882880 573809562 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C[N@H+](CCCC1CC1)CC1CCCC1 1167206211 760863846 /nfs/dbraw/zinc/86/38/46/760863846.db2.gz NVFLFJZDDPRDFX-UHFFFAOYSA-N 1 0 195.350 3.299 20 0 AGADRO CC(C)CC[N@H+](C)CCCC1CC1 1167099901 760863914 /nfs/dbraw/zinc/86/39/14/760863914.db2.gz APVCZOMYTQBUSI-UHFFFAOYSA-N 1 0 183.339 3.155 20 0 AGADRO C[C@@H]1C[C@@H](C)[N@H+](CCCC2CCC2)C1 1167477056 760864145 /nfs/dbraw/zinc/86/41/45/760864145.db2.gz ACCCMKAUICDTRL-VXGBXAGGSA-N 1 0 195.350 3.297 20 0 AGADRO CC[C@@H]1CCC[N@@H+]1CCCC1CCC1 1167412662 760864412 /nfs/dbraw/zinc/86/44/12/760864412.db2.gz PFPQUUUUDIPKFN-CYBMUJFWSA-N 1 0 195.350 3.441 20 0 AGADRO C[C@H]1C[C@H](C)[N@H+](CCCC2CCC2)C1 1167477055 760864523 /nfs/dbraw/zinc/86/45/23/760864523.db2.gz ACCCMKAUICDTRL-RYUDHWBXSA-N 1 0 195.350 3.297 20 0 AGADRO C[C@H]1CCC[C@H](C)[NH+]1CCC1CCC1 1167337322 760864691 /nfs/dbraw/zinc/86/46/91/760864691.db2.gz NAZBQZJXLWJNAG-RYUDHWBXSA-N 1 0 195.350 3.440 20 0 AGADRO CC[C@H]1CCC[N@@H+]1CCCC1CCC1 1167412663 760864987 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1171307754 761081729 /nfs/dbraw/zinc/08/17/29/761081729.db2.gz OBYOTNRVWBAEAR-GRYCIOLGSA-N 1 0 195.350 3.153 20 0 AGADRO C[C@@H]1C[N@H+](CC2(C)CCC2)[C@H](C)[C@@H]1C 1171307097 761082078 /nfs/dbraw/zinc/08/20/78/761082078.db2.gz KYZJBWRNHBEISM-IJLUTSLNSA-N 1 0 195.350 3.153 20 0 AGADRO C[C@@H]1C[N@H+](CC2(C)CCC2)[C@@H](C)[C@@H]1C 1171307099 761082385 /nfs/dbraw/zinc/08/23/85/761082385.db2.gz KYZJBWRNHBEISM-UTUOFQBUSA-N 1 0 195.350 3.153 20 0 AGADRO C[C@@H]1C[N@H+](CCC2CCC2)[C@@H](C)[C@H]1C 1171307757 761082519 /nfs/dbraw/zinc/08/25/19/761082519.db2.gz OBYOTNRVWBAEAR-WOPDTQHZSA-N 1 0 195.350 3.153 20 0 AGADRO C[C@@H]1C[N@H+](CC2(C)CCC2)[C@@H](C)[C@H]1C 1171307100 761082757 /nfs/dbraw/zinc/08/27/57/761082757.db2.gz KYZJBWRNHBEISM-WOPDTQHZSA-N 1 0 195.350 3.153 20 0 AGADRO CC1(C[N@@H+]2CCC=C(Cl)C2)CCC1 1171667454 761087150 /nfs/dbraw/zinc/08/71/50/761087150.db2.gz XDQBOSKTTCAXTI-UHFFFAOYSA-N 1 0 199.725 3.005 20 0 AGADRO CC[C@@H]1C[C@H]1C[N@H+](C)C[C@H]1CC1(C)C 1174914665 761395352 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1170904653 /nfs/dbraw/zinc/90/46/53/1170904653.db2.gz VNMXZXQJBAVQSL-ZSIRSIGDSA-N 1 0 195.350 3.055 20 0 AGADRO CCCC[C@@H](CC)[NH2+]C/C=C\Cl 1653213339 1170904801 /nfs/dbraw/zinc/90/48/01/1170904801.db2.gz NIYPHMXGWDXAGQ-BJPMOSCESA-N 1 0 189.730 3.297 20 0 AGADRO CCCC(CCC)[NH2+]C/C=C\Cl 1653212806 1170904996 /nfs/dbraw/zinc/90/49/96/1170904996.db2.gz DKCLURRKZWASJC-YVMONPNESA-N 1 0 189.730 3.297 20 0 AGADRO CCCC(CCC)[NH2+]C/C=C/Cl 1653212796 1170905641 /nfs/dbraw/zinc/90/56/41/1170905641.db2.gz DKCLURRKZWASJC-VMPITWQZSA-N 1 0 189.730 3.297 20 0 AGADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1C(C)C 1653288122 1170905857 /nfs/dbraw/zinc/90/58/57/1170905857.db2.gz QBVZPUBRJRVTRM-FIQHERPVSA-N 1 0 183.339 3.055 20 0 AGADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1C(C)C 1653288123 1170906014 /nfs/dbraw/zinc/90/60/14/1170906014.db2.gz QBVZPUBRJRVTRM-NOOOWODRSA-N 1 0 183.339 3.055 20 0 AGADRO CC(C)[NH+](CCCC1CC1)C(C)C 1652999538 1170906202 /nfs/dbraw/zinc/90/62/02/1170906202.db2.gz 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CCC[C@H](C)[N@@H+]1CC[C@@H](CC)[C@H]1C 308248012 573045799 /nfs/dbraw/zinc/04/57/99/573045799.db2.gz YQRGJLXQRYXAPI-QJPTWQEYSA-N 1 0 183.339 3.295 20 0 AGADRO CCC[C@H](C)[C@@H](CC)[NH2+]C1(C)CC1 308248324 573046850 /nfs/dbraw/zinc/04/68/50/573046850.db2.gz ZFPXEIFVLYPSRV-WDEREUQCSA-N 1 0 183.339 3.343 20 0 AGADRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1(C)CC1 308248321 573047744 /nfs/dbraw/zinc/04/77/44/573047744.db2.gz ZFPXEIFVLYPSRV-GHMZBOCLSA-N 1 0 183.339 3.343 20 0 AGADRO CC(C)CCC[NH2+]CCCC(F)F 688733625 573047787 /nfs/dbraw/zinc/04/77/87/573047787.db2.gz GDYMNIHWJQQTLE-UHFFFAOYSA-N 1 0 193.281 3.058 20 0 AGADRO CCC[C@H](C)[N@@H+]1CC[C@H](CC)[C@H]1C 308248015 573048308 /nfs/dbraw/zinc/04/83/08/573048308.db2.gz YQRGJLXQRYXAPI-TUAOUCFPSA-N 1 0 183.339 3.295 20 0 AGADRO CC[C@@H](C)[C@@H](C)[N@H+](C)CC(C)(C)C 308253639 573071473 /nfs/dbraw/zinc/07/14/73/573071473.db2.gz COLPVIPRTVBFJB-GHMZBOCLSA-N 1 0 185.355 3.399 20 0 AGADRO CC(C)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C 88131483 573072695 /nfs/dbraw/zinc/07/26/95/573072695.db2.gz LHTYHZNXJFZCLJ-NEPJUHHUSA-N 1 0 197.366 3.447 20 0 AGADRO CC[C@H](C)[C@@H](C)[N@H+](C)CC(C)(C)C 308253643 573073448 /nfs/dbraw/zinc/07/34/48/573073448.db2.gz COLPVIPRTVBFJB-WDEREUQCSA-N 1 0 185.355 3.399 20 0 AGADRO CC[C@H](C)[C@H](C)[N@H+](C)CC(C)(C)C 308253642 573074623 /nfs/dbraw/zinc/07/46/23/573074623.db2.gz COLPVIPRTVBFJB-QWRGUYRKSA-N 1 0 185.355 3.399 20 0 AGADRO CC(C)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C 88131486 573074654 /nfs/dbraw/zinc/07/46/54/573074654.db2.gz LHTYHZNXJFZCLJ-NWDGAFQWSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C 88131484 573074882 /nfs/dbraw/zinc/07/48/82/573074882.db2.gz LHTYHZNXJFZCLJ-RYUDHWBXSA-N 1 0 197.366 3.447 20 0 AGADRO CC[N@H+](C[C@H]1CC=CCC1)C(C)C 308488906 573074964 /nfs/dbraw/zinc/07/49/64/573074964.db2.gz QIOKMNYHFYSORK-LBPRGKRZSA-N 1 0 181.323 3.073 20 0 AGADRO CC(C)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C 88131485 573076085 /nfs/dbraw/zinc/07/60/85/573076085.db2.gz LHTYHZNXJFZCLJ-VXGBXAGGSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)CC[NH2+]CC12CCC(CC1)C2 308491288 573079975 /nfs/dbraw/zinc/07/99/75/573079975.db2.gz BQZGGTCASAXENW-UHFFFAOYSA-N 1 0 195.350 3.202 20 0 AGADRO CCCCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 308490835 573081560 /nfs/dbraw/zinc/08/15/60/573081560.db2.gz QQOJIEPDWRBIFG-FRRDWIJNSA-N 1 0 195.350 3.345 20 0 AGADRO C[C@H]1CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)C 308501881 573099342 /nfs/dbraw/zinc/09/93/42/573099342.db2.gz AKLPSUAHCKFTSF-QWRGUYRKSA-N 1 0 197.366 3.447 20 0 AGADRO C[C@@H]1CC[C@H]1[NH2+]CC(C)(C)C(C)(C)C 308501879 573097946 /nfs/dbraw/zinc/09/79/46/573097946.db2.gz AKLPSUAHCKFTSF-GHMZBOCLSA-N 1 0 197.366 3.447 20 0 AGADRO C[C@H]1CC[C@H]1[NH2+]CC(C)(C)C(C)(C)C 308501882 573100449 /nfs/dbraw/zinc/10/04/49/573100449.db2.gz AKLPSUAHCKFTSF-WDEREUQCSA-N 1 0 197.366 3.447 20 0 AGADRO CC1(C)C(C[NH2+]C2CCCC2)C1(C)C 85709737 573123933 /nfs/dbraw/zinc/12/39/33/573123933.db2.gz GPCWXLTYJYXSQN-UHFFFAOYSA-N 1 0 195.350 3.201 20 0 AGADRO C[C@@H](CC1CCCC1)[NH2+]C1(C)CC1 308277559 573126371 /nfs/dbraw/zinc/12/63/71/573126371.db2.gz VSFPEYURJCVRNM-JTQLQIEISA-N 1 0 181.323 3.097 20 0 AGADRO CC[NH2+][C@H]1C[C@H](C)c2c(C)cccc21 82618249 573131181 /nfs/dbraw/zinc/13/11/81/573131181.db2.gz KPIFDLBDDVFPRK-JQWIXIFHSA-N 1 0 189.302 3.153 20 0 AGADRO CC[NH2+][C@@H]1C[C@H](C)c2c(C)cccc21 82618248 573132556 /nfs/dbraw/zinc/13/25/56/573132556.db2.gz KPIFDLBDDVFPRK-CMPLNLGQSA-N 1 0 189.302 3.153 20 0 AGADRO CC[NH2+][C@@H]1C[C@@H](C)c2c(C)cccc21 82618250 573134435 /nfs/dbraw/zinc/13/44/35/573134435.db2.gz KPIFDLBDDVFPRK-ZYHUDNBSSA-N 1 0 189.302 3.153 20 0 AGADRO C[C@H](CC1CCCC1)[NH2+]C1(C)CC1 308277563 573134525 /nfs/dbraw/zinc/13/45/25/573134525.db2.gz VSFPEYURJCVRNM-SNVBAGLBSA-N 1 0 181.323 3.097 20 0 AGADRO CC(C)CCC[NH2+]C12CCC(CC1)C2 308507515 573140065 /nfs/dbraw/zinc/14/00/65/573140065.db2.gz JJKZOHLYQMJBBI-UHFFFAOYSA-N 1 0 195.350 3.345 20 0 AGADRO CC(C)C[C@@H](C)C[NH2+]C/C=C/C1CC1 393614925 573147364 /nfs/dbraw/zinc/14/73/64/573147364.db2.gz FKKCOHIAUDWAFN-ZYOFXKKJSA-N 1 0 195.350 3.224 20 0 AGADRO CC(C)CC(C)(C)C[NH2+][C@H]1CC[C@@H]1C 308505892 573156052 /nfs/dbraw/zinc/15/60/52/573156052.db2.gz IPPFMBJBRKAKKO-RYUDHWBXSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)CC(C)(C)C[NH2+][C@@H]1CC[C@@H]1C 308505891 573156442 /nfs/dbraw/zinc/15/64/42/573156442.db2.gz IPPFMBJBRKAKKO-NWDGAFQWSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)CC(C)(C)C[NH2+][C@H]1CC[C@H]1C 308505889 573157400 /nfs/dbraw/zinc/15/74/00/573157400.db2.gz IPPFMBJBRKAKKO-NEPJUHHUSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)CC(C)(C)C[NH2+][C@@H]1CC[C@H]1C 308505894 573157445 /nfs/dbraw/zinc/15/74/45/573157445.db2.gz IPPFMBJBRKAKKO-VXGBXAGGSA-N 1 0 197.366 3.447 20 0 AGADRO CC[C@H](C)C[NH2+][C@H](C)CC(C)(C)C 225465364 573161881 /nfs/dbraw/zinc/16/18/81/573161881.db2.gz MDYIYONVOZVCFK-WDEREUQCSA-N 1 0 185.355 3.447 20 0 AGADRO CCCC[C@@H](C)[NH2+]Cc1ccc(C)o1 50886869 573163659 /nfs/dbraw/zinc/16/36/59/573163659.db2.gz IVHBPDBYYBDVKT-SNVBAGLBSA-N 1 0 195.306 3.256 20 0 AGADRO CCCC[C@H](C)[NH2+]Cc1ccc(C)o1 50886870 573165989 /nfs/dbraw/zinc/16/59/89/573165989.db2.gz IVHBPDBYYBDVKT-JTQLQIEISA-N 1 0 195.306 3.256 20 0 AGADRO CC[C@H](C)[C@H](C)[N@H+](C)CCC(C)C 308299355 573187635 /nfs/dbraw/zinc/18/76/35/573187635.db2.gz LCXLECKSLHPCRH-RYUDHWBXSA-N 1 0 185.355 3.399 20 0 AGADRO CC[C@@H](C)[C@H](C)[N@H+](C)CCC(C)C 308299351 573188922 /nfs/dbraw/zinc/18/89/22/573188922.db2.gz LCXLECKSLHPCRH-NEPJUHHUSA-N 1 0 185.355 3.399 20 0 AGADRO CC(C)CCC[NH2+][C@H](C)c1ccc[nH]1 308513753 573190143 /nfs/dbraw/zinc/19/01/43/573190143.db2.gz LXDOEXCOFDJREQ-LLVKDONJSA-N 1 0 194.322 3.102 20 0 AGADRO CC[C@H](C)[C@@H](C)[N@H+](C)CCC(C)C 308299352 573190181 /nfs/dbraw/zinc/19/01/81/573190181.db2.gz LCXLECKSLHPCRH-NWDGAFQWSA-N 1 0 185.355 3.399 20 0 AGADRO CC(C)CCC[NH2+][C@@H](C)c1ccc[nH]1 308513754 573190640 /nfs/dbraw/zinc/19/06/40/573190640.db2.gz LXDOEXCOFDJREQ-NSHDSACASA-N 1 0 194.322 3.102 20 0 AGADRO CCC(CC)C[NH2+]CCCC(F)F 688736404 573201286 /nfs/dbraw/zinc/20/12/86/573201286.db2.gz ULYFARKSNNWZPL-UHFFFAOYSA-N 1 0 193.281 3.058 20 0 AGADRO CC[C@@H](C)[C@H](C)[N@H+](C)CC1CCC1 308320365 573244986 /nfs/dbraw/zinc/24/49/86/573244986.db2.gz YCZPRUUHKGFXGJ-MNOVXSKESA-N 1 0 183.339 3.153 20 0 AGADRO CCCC[C@@H](C)[C@H](C)[NH2+]C1(C)CC1 308331626 573261775 /nfs/dbraw/zinc/26/17/75/573261775.db2.gz JANZWBAJFMAIPU-MNOVXSKESA-N 1 0 183.339 3.343 20 0 AGADRO CCCC[C@H](C)[C@@H](C)[NH2+]C1(C)CC1 308331628 573263403 /nfs/dbraw/zinc/26/34/03/573263403.db2.gz JANZWBAJFMAIPU-WDEREUQCSA-N 1 0 183.339 3.343 20 0 AGADRO CC(C)[N@H+]1Cc2ccccc2[C@@H](C)C1 74450558 573340510 /nfs/dbraw/zinc/34/05/10/573340510.db2.gz QOJPJZMGPDUSPJ-NSHDSACASA-N 1 0 189.302 3.014 20 0 AGADRO CC(C)[N@H+]1Cc2ccccc2[C@H](C)C1 74450556 573341211 /nfs/dbraw/zinc/34/12/11/573341211.db2.gz QOJPJZMGPDUSPJ-LLVKDONJSA-N 1 0 189.302 3.014 20 0 AGADRO C[C@H](C[NH2+][C@H]1CCC1(C)C)C(C)(C)C 308558326 573351300 /nfs/dbraw/zinc/35/13/00/573351300.db2.gz VQBSJYFYIBWZQT-MNOVXSKESA-N 1 0 197.366 3.447 20 0 AGADRO C[C@@H]([NH2+]C[C@H]1C[C@H]1C)c1cccs1 308363108 573358086 /nfs/dbraw/zinc/35/80/86/573358086.db2.gz FSQCXZMBKGHGLH-OPRDCNLKSA-N 1 0 195.331 3.055 20 0 AGADRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccs1 308363107 573360483 /nfs/dbraw/zinc/36/04/83/573360483.db2.gz FSQCXZMBKGHGLH-BBBLOLIVSA-N 1 0 195.331 3.055 20 0 AGADRO CC[C@H]1CC[N@H+](CCC(C)C)[C@@H]1C 308369410 573362696 /nfs/dbraw/zinc/36/26/96/573362696.db2.gz PRGBZKYJEFYPDK-NEPJUHHUSA-N 1 0 183.339 3.153 20 0 AGADRO CC[C@@H]1CC[N@H+](CCC(C)C)[C@@H]1C 308369413 573365333 /nfs/dbraw/zinc/36/53/33/573365333.db2.gz PRGBZKYJEFYPDK-VXGBXAGGSA-N 1 0 183.339 3.153 20 0 AGADRO Cl/C=C/C[N@H+](CC1CC1)C1CCC1 308372314 573386673 /nfs/dbraw/zinc/38/66/73/573386673.db2.gz LLNRHQFVGABQGD-FARCUNLSSA-N 1 0 199.725 3.003 20 0 AGADRO Cl/C=C\C[N@H+](CC1CC1)C1CCC1 308372320 573387132 /nfs/dbraw/zinc/38/71/32/573387132.db2.gz LLNRHQFVGABQGD-UQCOIBPSSA-N 1 0 199.725 3.003 20 0 AGADRO CCCCCC[N@@H+]1CCC=C(C)C1 308388112 573418257 /nfs/dbraw/zinc/41/82/57/573418257.db2.gz YEKMRIJCYQJVGB-UHFFFAOYSA-N 1 0 181.323 3.219 20 0 AGADRO C[C@@H](CC1CC1)[NH2+]C[C@H](C)C(C)(C)C 133703879 573421184 /nfs/dbraw/zinc/42/11/84/573421184.db2.gz HJDVSRGGTNRUIR-QWRGUYRKSA-N 1 0 197.366 3.447 20 0 AGADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)C(C)(C)C 308584253 573471093 /nfs/dbraw/zinc/47/10/93/573471093.db2.gz HSIZQKHKOZBNKD-TUAOUCFPSA-N 1 0 197.366 3.447 20 0 AGADRO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+]CCC(C)(C)C 308594575 573477024 /nfs/dbraw/zinc/47/70/24/573477024.db2.gz XRPWSDVZTMYANA-GDNZZTSVSA-N 1 0 197.366 3.447 20 0 AGADRO C[C@@H]1CC[C@@H](C)C1[NH2+]CCC(C)(C)C 308594576 573477034 /nfs/dbraw/zinc/47/70/34/573477034.db2.gz XRPWSDVZTMYANA-GHMZBOCLSA-N 1 0 197.366 3.447 20 0 AGADRO C[C@H]1CC[C@H](C)C1[NH2+]CCC(C)(C)C 308594577 573478247 /nfs/dbraw/zinc/47/82/47/573478247.db2.gz XRPWSDVZTMYANA-QWRGUYRKSA-N 1 0 197.366 3.447 20 0 AGADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC1 308595670 573479039 /nfs/dbraw/zinc/47/90/39/573479039.db2.gz MIFCMUAHNMELAY-OLZOCXBDSA-N 1 0 195.350 3.345 20 0 AGADRO CCCC[C@H]1CCC[C@H]1[NH2+]CC1CC1 308595671 573482399 /nfs/dbraw/zinc/48/23/99/573482399.db2.gz MIFCMUAHNMELAY-QWHCGFSZSA-N 1 0 195.350 3.345 20 0 AGADRO CCCCCC[N@@H+]1CCC[C@H]1CC 308390971 573484868 /nfs/dbraw/zinc/48/48/68/573484868.db2.gz ZLGYZLDITOLIHM-GFCCVEGCSA-N 1 0 183.339 3.441 20 0 AGADRO CC1CCC([NH2+]CCC2CCC2)CC1 130341291 573545053 /nfs/dbraw/zinc/54/50/53/573545053.db2.gz CTWQIDMAKRFXSE-UHFFFAOYSA-N 1 0 195.350 3.345 20 0 AGADRO c1csc(C[NH2+]CCC2CCC2)c1 130350279 573550908 /nfs/dbraw/zinc/55/09/08/573550908.db2.gz MDXOCEBHYNYCHO-UHFFFAOYSA-N 1 0 195.331 3.028 20 0 AGADRO c1cc(C[NH2+]CCC2CCC2)cs1 130359292 573552286 /nfs/dbraw/zinc/55/22/86/573552286.db2.gz JZFFDEYEBKTGKN-UHFFFAOYSA-N 1 0 195.331 3.028 20 0 AGADRO C1CCC([NH2+]CCC2CCC2)CC1 130355951 573552893 /nfs/dbraw/zinc/55/28/93/573552893.db2.gz 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/nfs/dbraw/zinc/03/40/79/491034079.db2.gz HODQHNAJDHNWPD-NSHDSACASA-N 1 0 195.350 3.345 20 0 AGADRO CC(C)C[NH2+][C@H]1CCCCC1(C)C 86842111 491029506 /nfs/dbraw/zinc/02/95/06/491029506.db2.gz XZHQVGJGRFZFLI-NSHDSACASA-N 1 0 183.339 3.201 20 0 AGADRO CC1(C)CCC[C@H]1[NH2+]C1CCCCC1 86855628 491029528 /nfs/dbraw/zinc/02/95/28/491029528.db2.gz CWCRTFCXWVZLOF-GFCCVEGCSA-N 1 0 195.350 3.487 20 0 AGADRO CC1(C)CCCC[C@H]1[NH2+]CC1CCC1 86842894 491029529 /nfs/dbraw/zinc/02/95/29/491029529.db2.gz PESLRWHWWTYSKJ-GFCCVEGCSA-N 1 0 195.350 3.345 20 0 AGADRO CC1(C)CCCC[C@@H]1[NH2+]C1CCCC1 86842114 491029530 /nfs/dbraw/zinc/02/95/30/491029530.db2.gz YMZPEYRAZJGQLY-LBPRGKRZSA-N 1 0 195.350 3.487 20 0 AGADRO CC1(C)CCC[C@@H]1[NH2+]C1CCCCC1 86855627 491029531 /nfs/dbraw/zinc/02/95/31/491029531.db2.gz CWCRTFCXWVZLOF-LBPRGKRZSA-N 1 0 195.350 3.487 20 0 AGADRO CC1(C)CCCC[C@@H]1[NH2+]CCC1CC1 86845890 491029532 /nfs/dbraw/zinc/02/95/32/491029532.db2.gz WKIQNSWNIIFKOV-LBPRGKRZSA-N 1 0 195.350 3.345 20 0 AGADRO CC(C)C[NH2+][C@@H]1CCCCC1(C)C 86842108 491029533 /nfs/dbraw/zinc/02/95/33/491029533.db2.gz XZHQVGJGRFZFLI-LLVKDONJSA-N 1 0 183.339 3.201 20 0 AGADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(C)CCC1 130527950 491034080 /nfs/dbraw/zinc/03/40/80/491034080.db2.gz ZSEORAJKHVTCJB-MNOVXSKESA-N 1 0 183.339 3.201 20 0 AGADRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCCC1(C)C 86844845 491029535 /nfs/dbraw/zinc/02/95/35/491029535.db2.gz KPHPFLYKAICJJC-MNOVXSKESA-N 1 0 195.350 3.343 20 0 AGADRO CCC(CC)[NH2+][C@@H]1CCCC1(C)C 86855643 491029546 /nfs/dbraw/zinc/02/95/46/491029546.db2.gz OAFZCULIYSHTCV-LLVKDONJSA-N 1 0 183.339 3.343 20 0 AGADRO CC1(C)CCCC[C@H]1[NH2+]CCC1CC1 86845892 491029555 /nfs/dbraw/zinc/02/95/55/491029555.db2.gz WKIQNSWNIIFKOV-GFCCVEGCSA-N 1 0 195.350 3.345 20 0 AGADRO CC1(C)CCCC[C@@H]1[NH2+]CC1CCC1 86842892 491029571 /nfs/dbraw/zinc/02/95/71/491029571.db2.gz PESLRWHWWTYSKJ-LBPRGKRZSA-N 1 0 195.350 3.345 20 0 AGADRO CC1(C)CCC[C@@H]1[NH2+]C1CCCC1 86855641 491029577 /nfs/dbraw/zinc/02/95/77/491029577.db2.gz RARHLOGSZBCHNI-NSHDSACASA-N 1 0 181.323 3.097 20 0 AGADRO CC1(C)CCCC[C@H]1[NH2+]C1CCCC1 86842117 491029579 /nfs/dbraw/zinc/02/95/79/491029579.db2.gz YMZPEYRAZJGQLY-GFCCVEGCSA-N 1 0 195.350 3.487 20 0 AGADRO CCCC[NH2+][C@H]1CCCCC1(C)C 86842389 491029580 /nfs/dbraw/zinc/02/95/80/491029580.db2.gz VSRRTNIGHKWDDP-NSHDSACASA-N 1 0 183.339 3.345 20 0 AGADRO CC1(C)CCC[C@H]1[NH2+]CC1CCCC1 86856222 491029589 /nfs/dbraw/zinc/02/95/89/491029589.db2.gz VLNBISQTROCSIW-GFCCVEGCSA-N 1 0 195.350 3.345 20 0 AGADRO CC(C)CC[NH2+][C@@H]1CCCC1(C)C 86855697 491029593 /nfs/dbraw/zinc/02/95/93/491029593.db2.gz CWJPVGATQLQGLF-LLVKDONJSA-N 1 0 183.339 3.201 20 0 AGADRO CC1(C)CCC[C@@H]1[NH2+]CC1CCCC1 86856221 491029594 /nfs/dbraw/zinc/02/95/94/491029594.db2.gz VLNBISQTROCSIW-LBPRGKRZSA-N 1 0 195.350 3.345 20 0 AGADRO CC(C)(C)C[NH2+][C@H]1CCCC1(C)C 86856911 491029595 /nfs/dbraw/zinc/02/95/95/491029595.db2.gz OJHSTWBSZRHGJZ-JTQLQIEISA-N 1 0 183.339 3.201 20 0 AGADRO C[C@@H](CC1CC1)[NH2+][C@H]1CCCC1(C)C 86857525 491029596 /nfs/dbraw/zinc/02/95/96/491029596.db2.gz KQPRSROBZMEVOX-JQWIXIFHSA-N 1 0 195.350 3.343 20 0 AGADRO CCC[C@H](C)[NH2+][C@@H]1CCCC1(C)C 86855666 491029598 /nfs/dbraw/zinc/02/95/98/491029598.db2.gz RDTRNPDZLUBRPT-WDEREUQCSA-N 1 0 183.339 3.343 20 0 AGADRO CCC[C@@H](C)[NH2+][C@H]1CCCC1(C)C 86855667 491029608 /nfs/dbraw/zinc/02/96/08/491029608.db2.gz RDTRNPDZLUBRPT-MNOVXSKESA-N 1 0 183.339 3.343 20 0 AGADRO CC(C)(C)C[NH2+][C@@H]1CCCC1(C)C 86856912 491029612 /nfs/dbraw/zinc/02/96/12/491029612.db2.gz OJHSTWBSZRHGJZ-SNVBAGLBSA-N 1 0 183.339 3.201 20 0 AGADRO CC[C@@H](C)C[NH2+][C@@H]1CCCC1(C)C 86857355 491029623 /nfs/dbraw/zinc/02/96/23/491029623.db2.gz KKSIJXWRFKMAPT-GHMZBOCLSA-N 1 0 183.339 3.201 20 0 AGADRO CCC(CC)[NH2+][C@H]1CCCC1(C)C 86855644 491029624 /nfs/dbraw/zinc/02/96/24/491029624.db2.gz OAFZCULIYSHTCV-NSHDSACASA-N 1 0 183.339 3.343 20 0 AGADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC1(C)C 86857431 491029630 /nfs/dbraw/zinc/02/96/30/491029630.db2.gz MDHSYOFMKVXRLX-IJLUTSLNSA-N 1 0 195.350 3.343 20 0 AGADRO C[C@H](CC1CC1)[NH2+][C@H]1CCCC1(C)C 86857526 491029632 /nfs/dbraw/zinc/02/96/32/491029632.db2.gz KQPRSROBZMEVOX-PWSUYJOCSA-N 1 0 195.350 3.343 20 0 AGADRO CCCCC[NH2+][C@@H]1CCCC1(C)C 86855659 491029633 /nfs/dbraw/zinc/02/96/33/491029633.db2.gz MBMZZPIADVONTB-LLVKDONJSA-N 1 0 183.339 3.345 20 0 AGADRO CC(C)CC[NH2+][C@H]1CCCC1(C)C 86855698 491029635 /nfs/dbraw/zinc/02/96/35/491029635.db2.gz CWJPVGATQLQGLF-NSHDSACASA-N 1 0 183.339 3.201 20 0 AGADRO CCC[C@H](C)[NH2+][C@H]1CCCC1(C)C 86855668 491029638 /nfs/dbraw/zinc/02/96/38/491029638.db2.gz RDTRNPDZLUBRPT-QWRGUYRKSA-N 1 0 183.339 3.343 20 0 AGADRO CC(C)[C@H](C)[NH2+][C@@H]1CCCC1(C)C 86856102 491029644 /nfs/dbraw/zinc/02/96/44/491029644.db2.gz JCAQDQKIZWFWJH-WDEREUQCSA-N 1 0 183.339 3.199 20 0 AGADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC1(C)C 86857429 491029646 /nfs/dbraw/zinc/02/96/46/491029646.db2.gz MDHSYOFMKVXRLX-GRYCIOLGSA-N 1 0 195.350 3.343 20 0 AGADRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCC1(C)C 86857523 491029647 /nfs/dbraw/zinc/02/96/47/491029647.db2.gz KQPRSROBZMEVOX-CMPLNLGQSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@@H](C)C[NH2+][C@H]1CCCC1(C)C 86857357 491029648 /nfs/dbraw/zinc/02/96/48/491029648.db2.gz KKSIJXWRFKMAPT-MNOVXSKESA-N 1 0 183.339 3.201 20 0 AGADRO CCCCC[NH2+][C@H]1CCCC1(C)C 86855660 491029657 /nfs/dbraw/zinc/02/96/57/491029657.db2.gz MBMZZPIADVONTB-NSHDSACASA-N 1 0 183.339 3.345 20 0 AGADRO CC(C)[C@H](C)[NH2+][C@H]1CCCC1(C)C 86856104 491029666 /nfs/dbraw/zinc/02/96/66/491029666.db2.gz JCAQDQKIZWFWJH-QWRGUYRKSA-N 1 0 183.339 3.199 20 0 AGADRO CC[C@H](C)C[NH2+][C@H]1CCCC1(C)C 86857358 491029668 /nfs/dbraw/zinc/02/96/68/491029668.db2.gz KKSIJXWRFKMAPT-QWRGUYRKSA-N 1 0 183.339 3.201 20 0 AGADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCCC1(C)C 86856101 491029679 /nfs/dbraw/zinc/02/96/79/491029679.db2.gz JCAQDQKIZWFWJH-GHMZBOCLSA-N 1 0 183.339 3.199 20 0 AGADRO CC(C)[C@@H](C)[NH2+][C@H]1CCCC1(C)C 86856103 491029682 /nfs/dbraw/zinc/02/96/82/491029682.db2.gz JCAQDQKIZWFWJH-MNOVXSKESA-N 1 0 183.339 3.199 20 0 AGADRO CC[C@H](C)C[NH2+][C@@H]1CCCC1(C)C 86857356 491029685 /nfs/dbraw/zinc/02/96/85/491029685.db2.gz KKSIJXWRFKMAPT-WDEREUQCSA-N 1 0 183.339 3.201 20 0 AGADRO CCC[C@@H](C)[NH2+][C@@H]1CCCC1(C)C 86855665 491029687 /nfs/dbraw/zinc/02/96/87/491029687.db2.gz RDTRNPDZLUBRPT-GHMZBOCLSA-N 1 0 183.339 3.343 20 0 AGADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCCC1(C)C 86857524 491029689 /nfs/dbraw/zinc/02/96/89/491029689.db2.gz KQPRSROBZMEVOX-ZYHUDNBSSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@H]([NH2+][C@H]1CCCC1(C)C)C1CC1 86872946 491029704 /nfs/dbraw/zinc/02/97/04/491029704.db2.gz VOZSYZBILKIQAT-RYUDHWBXSA-N 1 0 195.350 3.343 20 0 AGADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 86872908 491029714 /nfs/dbraw/zinc/02/97/14/491029714.db2.gz RMMLILHYTDNPCJ-GRYCIOLGSA-N 1 0 195.350 3.343 20 0 AGADRO CC1(C)CCC[C@H]1[NH2+][C@H]1CC=CCC1 86865353 491029715 /nfs/dbraw/zinc/02/97/15/491029715.db2.gz VOUGZANSRIDHKY-NWDGAFQWSA-N 1 0 193.334 3.263 20 0 AGADRO CC[C@@H]([NH2+][C@@H]1CCCC1(C)C)C1CC1 86872943 491029743 /nfs/dbraw/zinc/02/97/43/491029743.db2.gz VOZSYZBILKIQAT-VXGBXAGGSA-N 1 0 195.350 3.343 20 0 AGADRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC=CCC1 86865354 491029750 /nfs/dbraw/zinc/02/97/50/491029750.db2.gz VOUGZANSRIDHKY-NEPJUHHUSA-N 1 0 193.334 3.263 20 0 AGADRO CC[C@@H]([NH2+][C@H]1CCCC1(C)C)C1CC1 86872949 491029758 /nfs/dbraw/zinc/02/97/58/491029758.db2.gz VOZSYZBILKIQAT-NEPJUHHUSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@H]([NH2+][C@@H]1CCCC1(C)C)C1CC1 86872940 491029773 /nfs/dbraw/zinc/02/97/73/491029773.db2.gz VOZSYZBILKIQAT-NWDGAFQWSA-N 1 0 195.350 3.343 20 0 AGADRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CC=CCC1 86865355 491029776 /nfs/dbraw/zinc/02/97/76/491029776.db2.gz VOUGZANSRIDHKY-VXGBXAGGSA-N 1 0 193.334 3.263 20 0 AGADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC2(C)C)C1 86872914 491029787 /nfs/dbraw/zinc/02/97/87/491029787.db2.gz RMMLILHYTDNPCJ-IJLUTSLNSA-N 1 0 195.350 3.343 20 0 AGADRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CC=CCC1 86865352 491029794 /nfs/dbraw/zinc/02/97/94/491029794.db2.gz VOUGZANSRIDHKY-RYUDHWBXSA-N 1 0 193.334 3.263 20 0 AGADRO CC(C)C[NH2+]CC(C(C)C)C(C)C 87155273 491029808 /nfs/dbraw/zinc/02/98/08/491029808.db2.gz ONJIUOOVZYLUJB-UHFFFAOYSA-N 1 0 185.355 3.160 20 0 AGADRO CC(C)C(C[NH2+]C(C)(C)C)C(C)C 87155270 491029811 /nfs/dbraw/zinc/02/98/11/491029811.db2.gz VCBDWFUSJBSAIU-UHFFFAOYSA-N 1 0 185.355 3.303 20 0 AGADRO CC(C)CC1(C[NH2+][C@H](C)C2CC2)CC1 130655739 491034102 /nfs/dbraw/zinc/03/41/02/491034102.db2.gz FUIDKDFCKUNRIJ-LLVKDONJSA-N 1 0 195.350 3.201 20 0 AGADRO CC[C@H]([NH2+]CC1(C(C)C)CC1)C(C)C 130573012 491034108 /nfs/dbraw/zinc/03/41/08/491034108.db2.gz AOUOJIPQELNPOC-LBPRGKRZSA-N 1 0 197.366 3.447 20 0 AGADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(C(C)C)CC1 130567584 491034109 /nfs/dbraw/zinc/03/41/09/491034109.db2.gz GPYLTXIJBVJIGP-NEPJUHHUSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)CC1(C[NH2+][C@@H](C)C2CC2)CC1 130655498 491034110 /nfs/dbraw/zinc/03/41/10/491034110.db2.gz FUIDKDFCKUNRIJ-NSHDSACASA-N 1 0 195.350 3.201 20 0 AGADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(C(C)C)CC1 130567389 491034119 /nfs/dbraw/zinc/03/41/19/491034119.db2.gz GPYLTXIJBVJIGP-NWDGAFQWSA-N 1 0 197.366 3.447 20 0 AGADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(C(C)C)CC1 130567198 491034136 /nfs/dbraw/zinc/03/41/36/491034136.db2.gz GPYLTXIJBVJIGP-VXGBXAGGSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)CC1(C[NH2+][C@H](C)C(C)C)CC1 130661095 491034137 /nfs/dbraw/zinc/03/41/37/491034137.db2.gz LDTHBQLXXYWANR-GFCCVEGCSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)CC1(C[NH2+][C@@H](C)C(C)C)CC1 130660899 491034142 /nfs/dbraw/zinc/03/41/42/491034142.db2.gz LDTHBQLXXYWANR-LBPRGKRZSA-N 1 0 197.366 3.447 20 0 AGADRO CCCCC[NH2+][C@H](C)c1ccoc1 87289413 491030292 /nfs/dbraw/zinc/03/02/92/491030292.db2.gz JXNGATNFHYEUFW-SNVBAGLBSA-N 1 0 181.279 3.120 20 0 AGADRO C[C@@H]([NH2+]C1CCCCC1)c1ccoc1 87289377 491030310 /nfs/dbraw/zinc/03/03/10/491030310.db2.gz RADBIVLPSUIWDS-SNVBAGLBSA-N 1 0 193.290 3.263 20 0 AGADRO C[C@H]([NH2+]C1CCCCC1)c1ccoc1 87289376 491030311 /nfs/dbraw/zinc/03/03/11/491030311.db2.gz RADBIVLPSUIWDS-JTQLQIEISA-N 1 0 193.290 3.263 20 0 AGADRO CCC(CC)[NH2+][C@H](C)c1ccoc1 87289393 491030318 /nfs/dbraw/zinc/03/03/18/491030318.db2.gz TXHOCLMKZZMSKA-SECBINFHSA-N 1 0 181.279 3.119 20 0 AGADRO CCC(CC)[NH2+][C@@H](C)c1ccoc1 87289392 491030322 /nfs/dbraw/zinc/03/03/22/491030322.db2.gz TXHOCLMKZZMSKA-VIFPVBQESA-N 1 0 181.279 3.119 20 0 AGADRO CCCCC[NH2+][C@@H](C)c1ccoc1 87289412 491030338 /nfs/dbraw/zinc/03/03/38/491030338.db2.gz JXNGATNFHYEUFW-JTQLQIEISA-N 1 0 181.279 3.120 20 0 AGADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccoc1 87289418 491030358 /nfs/dbraw/zinc/03/03/58/491030358.db2.gz KHOSMBHRJHYNGK-ZJUUUORDSA-N 1 0 181.279 3.119 20 0 AGADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccoc1 87290005 491030370 /nfs/dbraw/zinc/03/03/70/491030370.db2.gz NEYISWDNDBSTBS-DCAQKATOSA-N 1 0 195.306 3.365 20 0 AGADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccoc1 87290223 491030377 /nfs/dbraw/zinc/03/03/77/491030377.db2.gz XGUCPQFCBXKWNX-JBLDHEPKSA-N 1 0 193.290 3.119 20 0 AGADRO CC[C@H](C)[C@H](C)[NH2+]CC1(C(C)C)CC1 130567772 491034162 /nfs/dbraw/zinc/03/41/62/491034162.db2.gz GPYLTXIJBVJIGP-RYUDHWBXSA-N 1 0 197.366 3.447 20 0 AGADRO C[C@@H]([NH2+]CC1(C2CC2)CC1)C(C)(C)C 131304870 491034591 /nfs/dbraw/zinc/03/45/91/491034591.db2.gz LGDAEQLIXCUKMU-SNVBAGLBSA-N 1 0 195.350 3.201 20 0 AGADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccoc1 87289419 491030405 /nfs/dbraw/zinc/03/04/05/491030405.db2.gz KHOSMBHRJHYNGK-UWVGGRQHSA-N 1 0 181.279 3.119 20 0 AGADRO CC(C)C1(C[NH2+][C@@H](C)C(C)(C)C)CC1 130562134 491034165 /nfs/dbraw/zinc/03/41/65/491034165.db2.gz NSVYNVKDQYCQCM-NSHDSACASA-N 1 0 197.366 3.447 20 0 AGADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccoc1 87290220 491030418 /nfs/dbraw/zinc/03/04/18/491030418.db2.gz XGUCPQFCBXKWNX-SCVCMEIPSA-N 1 0 193.290 3.119 20 0 AGADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccoc1 87289420 491030420 /nfs/dbraw/zinc/03/04/20/491030420.db2.gz KHOSMBHRJHYNGK-NXEZZACHSA-N 1 0 181.279 3.119 20 0 AGADRO CCC[C@H](C)[NH2+][C@H](C)c1ccoc1 87289421 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491040843 /nfs/dbraw/zinc/04/08/43/491040843.db2.gz CCHVITIKEWVVGO-GHMZBOCLSA-N 1 0 183.339 3.057 20 0 AGADRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CC2)o1 222174881 491040846 /nfs/dbraw/zinc/04/08/46/491040846.db2.gz SDGXGJLWPDVJHP-SNVBAGLBSA-N 1 0 193.290 3.039 20 0 AGADRO Cc1ccc([C@H](C)[NH2+]CC2(C)CC2)o1 222174926 491040864 /nfs/dbraw/zinc/04/08/64/491040864.db2.gz SDGXGJLWPDVJHP-JTQLQIEISA-N 1 0 193.290 3.039 20 0 AGADRO CC(C)CC[C@@H](C)[NH2+]CC1(C)CC1 222183439 491040870 /nfs/dbraw/zinc/04/08/70/491040870.db2.gz ZKRKAIKOSBOHQM-LLVKDONJSA-N 1 0 183.339 3.201 20 0 AGADRO CC1(C[NH2+][C@H]2CCCCC2(C)C)CC1 222178266 491040875 /nfs/dbraw/zinc/04/08/75/491040875.db2.gz ISPICXMQIMMADF-NSHDSACASA-N 1 0 195.350 3.345 20 0 AGADRO C[C@@H]([NH2+]CC1(C)CC1)c1ccsc1 222195770 491040880 /nfs/dbraw/zinc/04/08/80/491040880.db2.gz YHLCFKMVCSSQPH-SECBINFHSA-N 1 0 195.331 3.199 20 0 AGADRO CC1(C[NH2+][C@@H]2CCCCC2(C)C)CC1 222178201 491040883 /nfs/dbraw/zinc/04/08/83/491040883.db2.gz ISPICXMQIMMADF-LLVKDONJSA-N 1 0 195.350 3.345 20 0 AGADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1(C)CC1 222184142 491040891 /nfs/dbraw/zinc/04/08/91/491040891.db2.gz VNUAWPVEXQHHLC-GHMZBOCLSA-N 1 0 195.350 3.201 20 0 AGADRO CCCC[C@H](CC)[NH2+]CC1(C)CC1 222182001 491040902 /nfs/dbraw/zinc/04/09/02/491040902.db2.gz QBZMUCYHHVJGIX-NSHDSACASA-N 1 0 183.339 3.345 20 0 AGADRO C[C@H]([NH2+]CC1(C)CC1)c1ccsc1 222195817 491040904 /nfs/dbraw/zinc/04/09/04/491040904.db2.gz YHLCFKMVCSSQPH-VIFPVBQESA-N 1 0 195.331 3.199 20 0 AGADRO CCCC[C@@H](CC)[NH2+]CC1(C)CC1 222181947 491040927 /nfs/dbraw/zinc/04/09/27/491040927.db2.gz QBZMUCYHHVJGIX-LLVKDONJSA-N 1 0 183.339 3.345 20 0 AGADRO CC(C)CC[C@H](C)[NH2+]CC1(C)CC1 222183490 491040950 /nfs/dbraw/zinc/04/09/50/491040950.db2.gz ZKRKAIKOSBOHQM-NSHDSACASA-N 1 0 183.339 3.201 20 0 AGADRO C[C@H]([NH2+]CC1(C)CC1)c1cccs1 222190757 491040951 /nfs/dbraw/zinc/04/09/51/491040951.db2.gz MFGOKYOCGPSYDC-VIFPVBQESA-N 1 0 195.331 3.199 20 0 AGADRO C[C@H]1CCC[C@H](C)C1[NH2+]CC1(C)CC1 222184246 491040952 /nfs/dbraw/zinc/04/09/52/491040952.db2.gz VNUAWPVEXQHHLC-QWRGUYRKSA-N 1 0 195.350 3.201 20 0 AGADRO C[C@@H]([NH2+]CC1(C)CC1)c1cccs1 222190706 491040956 /nfs/dbraw/zinc/04/09/56/491040956.db2.gz MFGOKYOCGPSYDC-SECBINFHSA-N 1 0 195.331 3.199 20 0 AGADRO CC1(C)CCC[N@@H+](C2CCCC2)C1 222263149 491040959 /nfs/dbraw/zinc/04/09/59/491040959.db2.gz JQRJUIDIEJFRFZ-UHFFFAOYSA-N 1 0 181.323 3.051 20 0 AGADRO CCCC[C@H](C)[NH2+]CC1(CC)CC1 222206798 491040961 /nfs/dbraw/zinc/04/09/61/491040961.db2.gz HFZUIJFWDDVOQE-NSHDSACASA-N 1 0 183.339 3.345 20 0 AGADRO CCC[C@@H](C)[NH2+]CC1(C(C)C)CC1 222221168 491040962 /nfs/dbraw/zinc/04/09/62/491040962.db2.gz RCSGGOSYWJTOCB-LLVKDONJSA-N 1 0 183.339 3.201 20 0 AGADRO CC[C@@H](C)[NH2+]CC1(C)CCCCC1 222264424 491040963 /nfs/dbraw/zinc/04/09/63/491040963.db2.gz MJKPYBWTUBBCLW-LLVKDONJSA-N 1 0 183.339 3.345 20 0 AGADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(CC)CC1 222206194 491040965 /nfs/dbraw/zinc/04/09/65/491040965.db2.gz FBEXLUCLGUNBMP-WDEREUQCSA-N 1 0 183.339 3.201 20 0 AGADRO C[C@H]([NH2+]CC1(C)CCCCC1)C1CC1 222265938 491040968 /nfs/dbraw/zinc/04/09/68/491040968.db2.gz UPDXUQXKHQVHDG-NSHDSACASA-N 1 0 195.350 3.345 20 0 AGADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(CC)CC1 222206129 491040971 /nfs/dbraw/zinc/04/09/71/491040971.db2.gz FBEXLUCLGUNBMP-GHMZBOCLSA-N 1 0 183.339 3.201 20 0 AGADRO CC1(C[NH2+]CC2CCCCCC2)CC1 228043816 491044327 /nfs/dbraw/zinc/04/43/27/491044327.db2.gz CMYKDFNYJGKVFU-UHFFFAOYSA-N 1 0 195.350 3.347 20 0 AGADRO CCC(CC)[NH2+]CC1(C(C)C)CC1 222226476 491040979 /nfs/dbraw/zinc/04/09/79/491040979.db2.gz CCRWRBLQDBOKLW-UHFFFAOYSA-N 1 0 183.339 3.201 20 0 AGADRO CCC[C@H](C)[NH2+]CC1(C(C)C)CC1 222221219 491040984 /nfs/dbraw/zinc/04/09/84/491040984.db2.gz RCSGGOSYWJTOCB-NSHDSACASA-N 1 0 183.339 3.201 20 0 AGADRO CC[C@H](C)[NH2+]CC1(C)CCCCC1 222264473 491040989 /nfs/dbraw/zinc/04/09/89/491040989.db2.gz MJKPYBWTUBBCLW-NSHDSACASA-N 1 0 183.339 3.345 20 0 AGADRO CC[C@@H]([NH2+]CC1(CC)CC1)C(C)C 222208214 491040993 /nfs/dbraw/zinc/04/09/93/491040993.db2.gz VYZIBEQBVKUENV-LLVKDONJSA-N 1 0 183.339 3.201 20 0 AGADRO CC[C@H](C)[C@H](C)[NH2+]CC1(CC)CC1 222206310 491040994 /nfs/dbraw/zinc/04/09/94/491040994.db2.gz FBEXLUCLGUNBMP-QWRGUYRKSA-N 1 0 183.339 3.201 20 0 AGADRO C[C@@H]([NH2+]CC1(C)CCCCC1)C1CC1 222265884 491040995 /nfs/dbraw/zinc/04/09/95/491040995.db2.gz UPDXUQXKHQVHDG-LLVKDONJSA-N 1 0 195.350 3.345 20 0 AGADRO CCCC[C@@H](C)[NH2+]CC1(CC)CC1 222206745 491040999 /nfs/dbraw/zinc/04/09/99/491040999.db2.gz HFZUIJFWDDVOQE-LLVKDONJSA-N 1 0 183.339 3.345 20 0 AGADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(CC)CC1 222206254 491041000 /nfs/dbraw/zinc/04/10/00/491041000.db2.gz FBEXLUCLGUNBMP-MNOVXSKESA-N 1 0 183.339 3.201 20 0 AGADRO CC[C@H]([NH2+]CC1(CC)CC1)C(C)C 222208280 491041001 /nfs/dbraw/zinc/04/10/01/491041001.db2.gz VYZIBEQBVKUENV-NSHDSACASA-N 1 0 183.339 3.201 20 0 AGADRO C[C@H]1CCCC[N@@H+]1CC1CCCCC1 222450402 491041004 /nfs/dbraw/zinc/04/10/04/491041004.db2.gz YLCZDTWTCVHBSS-LBPRGKRZSA-N 1 0 195.350 3.441 20 0 AGADRO C[C@@H]1CCCC[N@@H+]1CC1CCCCC1 222450339 491041050 /nfs/dbraw/zinc/04/10/50/491041050.db2.gz YLCZDTWTCVHBSS-GFCCVEGCSA-N 1 0 195.350 3.441 20 0 AGADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)C1 222509201 491041155 /nfs/dbraw/zinc/04/11/55/491041155.db2.gz PNRORBFISNQWNV-QJPTWQEYSA-N 1 0 183.339 3.201 20 0 AGADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@@H](C)C1 222509316 491041189 /nfs/dbraw/zinc/04/11/89/491041189.db2.gz PNRORBFISNQWNV-TUAOUCFPSA-N 1 0 183.339 3.201 20 0 AGADRO CCCC[N@H+](CC)C(CC)CC 223371742 491041355 /nfs/dbraw/zinc/04/13/55/491041355.db2.gz YPJHUIFYCQRUAH-UHFFFAOYSA-N 1 0 171.328 3.297 20 0 AGADRO C[C@@H]1CCC[N@@H+](C2CCCC2)CC1 223750714 491041453 /nfs/dbraw/zinc/04/14/53/491041453.db2.gz VKPJOLOMSAIZBM-LLVKDONJSA-N 1 0 181.323 3.051 20 0 AGADRO CCC1CCC([NH2+]CC2(C)CC2)CC1 224179000 491041474 /nfs/dbraw/zinc/04/14/74/491041474.db2.gz WOCXZIFYIURTPZ-UHFFFAOYSA-N 1 0 195.350 3.345 20 0 AGADRO CC1(C[NH2+]C2CCCCCC2)CC1 224176519 491041500 /nfs/dbraw/zinc/04/15/00/491041500.db2.gz SJYZIJFFCVXKCT-UHFFFAOYSA-N 1 0 181.323 3.099 20 0 AGADRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC2)C1 224174531 491041502 /nfs/dbraw/zinc/04/15/02/491041502.db2.gz SOEGWGGTZYGCEX-VXGBXAGGSA-N 1 0 195.350 3.345 20 0 AGADRO CC[C@@H]1CCC[C@H]([NH2+]CC2(C)CC2)C1 224174623 491041512 /nfs/dbraw/zinc/04/15/12/491041512.db2.gz SOEGWGGTZYGCEX-NEPJUHHUSA-N 1 0 195.350 3.345 20 0 AGADRO CC[C@H]1CCC[C@@H]([NH2+]CC2(C)CC2)C1 224174574 491041524 /nfs/dbraw/zinc/04/15/24/491041524.db2.gz SOEGWGGTZYGCEX-NWDGAFQWSA-N 1 0 195.350 3.345 20 0 AGADRO CC1(C)CCC([NH2+]CC2(C)CC2)CC1 224180236 491041546 /nfs/dbraw/zinc/04/15/46/491041546.db2.gz CPNQNQWGIZIQDW-UHFFFAOYSA-N 1 0 195.350 3.345 20 0 AGADRO CC[C@H]1CCC[C@H]([NH2+]CC2(C)CC2)C1 224174673 491041561 /nfs/dbraw/zinc/04/15/61/491041561.db2.gz SOEGWGGTZYGCEX-RYUDHWBXSA-N 1 0 195.350 3.345 20 0 AGADRO CC(C)C[N@H+](C)[C@@H](C)c1ccccc1 223968218 491041599 /nfs/dbraw/zinc/04/15/99/491041599.db2.gz FQOCIZCLOARHEK-LBPRGKRZSA-N 1 0 191.318 3.335 20 0 AGADRO CC(C)=CC[NH2+][C@@H]1CCC[C@H](C)C1 228318234 491044463 /nfs/dbraw/zinc/04/44/63/491044463.db2.gz JYZHSDWOADZPCW-NWDGAFQWSA-N 1 0 181.323 3.121 20 0 AGADRO C[C@@H]([NH2+]CC1(C)CC1)c1ccccc1 224398489 491041650 /nfs/dbraw/zinc/04/16/50/491041650.db2.gz XPUKNONGDVVUFV-LLVKDONJSA-N 1 0 189.302 3.137 20 0 AGADRO C[C@H]([NH2+]CC1(C)CC1)c1ccccc1 224398536 491041677 /nfs/dbraw/zinc/04/16/77/491041677.db2.gz XPUKNONGDVVUFV-NSHDSACASA-N 1 0 189.302 3.137 20 0 AGADRO C[C@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC=CC1 228296828 491044493 /nfs/dbraw/zinc/04/44/93/491044493.db2.gz GZABQBDKZRWFJZ-MDZLAQPJSA-N 1 0 193.334 3.119 20 0 AGADRO CCC[C@@H](CC)[NH2+]C[C@@H]1CC1(C)C 224730362 491041829 /nfs/dbraw/zinc/04/18/29/491041829.db2.gz PAQXGZGPQGEPAB-WDEREUQCSA-N 1 0 183.339 3.201 20 0 AGADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)C1 224560917 491041839 /nfs/dbraw/zinc/04/18/39/491041839.db2.gz SROIVMMNTJKWIH-LPWJVIDDSA-N 1 0 195.350 3.343 20 0 AGADRO CCC[C@H](CC)[NH2+][C@@H]1CC=CCC1 224732925 491041841 /nfs/dbraw/zinc/04/18/41/491041841.db2.gz AWOVRMWEWFXYAL-NWDGAFQWSA-N 1 0 181.323 3.263 20 0 AGADRO CCC[C@H](CC)[NH2+][C@H]1CC=CCC1 224733016 491041856 /nfs/dbraw/zinc/04/18/56/491041856.db2.gz AWOVRMWEWFXYAL-RYUDHWBXSA-N 1 0 181.323 3.263 20 0 AGADRO CC(C)=CC[NH2+][C@@H]1CCC[C@@H](C)C1 228318211 491044519 /nfs/dbraw/zinc/04/45/19/491044519.db2.gz JYZHSDWOADZPCW-VXGBXAGGSA-N 1 0 181.323 3.121 20 0 AGADRO CC1CC([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C1 228297273 491044521 /nfs/dbraw/zinc/04/45/21/491044521.db2.gz IETISBFKEVTSNE-MWUVIEDJSA-N 1 0 195.350 3.199 20 0 AGADRO CC1CC([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 228297262 491044525 /nfs/dbraw/zinc/04/45/25/491044525.db2.gz IETISBFKEVTSNE-SGLUJSHXSA-N 1 0 195.350 3.199 20 0 AGADRO CC(C)=CC[NH2+][C@H]1CCC[C@H](C)C1 228318243 491044530 /nfs/dbraw/zinc/04/45/30/491044530.db2.gz JYZHSDWOADZPCW-RYUDHWBXSA-N 1 0 181.323 3.121 20 0 AGADRO CCC[C@@H](CC)[NH2+][C@H]1CC=CCC1 224732974 491041880 /nfs/dbraw/zinc/04/18/80/491041880.db2.gz AWOVRMWEWFXYAL-NEPJUHHUSA-N 1 0 181.323 3.263 20 0 AGADRO CCC[C@@H](CC)[NH2+]C[C@H]1CC1(C)C 224730463 491041888 /nfs/dbraw/zinc/04/18/88/491041888.db2.gz PAQXGZGPQGEPAB-GHMZBOCLSA-N 1 0 183.339 3.201 20 0 AGADRO CCC[C@H](CC)[NH2+]C[C@H]1CC1(C)C 224730506 491041904 /nfs/dbraw/zinc/04/19/04/491041904.db2.gz PAQXGZGPQGEPAB-MNOVXSKESA-N 1 0 183.339 3.201 20 0 AGADRO CCC[C@H](CC)[NH2+]C[C@@H]1CC1(C)C 224730421 491041909 /nfs/dbraw/zinc/04/19/09/491041909.db2.gz PAQXGZGPQGEPAB-QWRGUYRKSA-N 1 0 183.339 3.201 20 0 AGADRO CCC[C@@H](CC)[NH2+][C@@H]1CC=CCC1 224732884 491041910 /nfs/dbraw/zinc/04/19/10/491041910.db2.gz AWOVRMWEWFXYAL-VXGBXAGGSA-N 1 0 181.323 3.263 20 0 AGADRO CC(C)=CC[NH2+][C@H]1CCC[C@@H](C)C1 228318220 491044559 /nfs/dbraw/zinc/04/45/59/491044559.db2.gz JYZHSDWOADZPCW-NEPJUHHUSA-N 1 0 181.323 3.121 20 0 AGADRO CCC(CC)C[NH2+]C(C)(C)C1CC1 224824939 491042009 /nfs/dbraw/zinc/04/20/09/491042009.db2.gz BNCLOLYUGYHIOJ-UHFFFAOYSA-N 1 0 183.339 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193.334 3.097 20 0 AGADRO C[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCC1(C)C 306477978 491051753 /nfs/dbraw/zinc/05/17/53/491051753.db2.gz BBMYGTAKWQSWOB-WOPDTQHZSA-N 1 0 195.350 3.201 20 0 AGADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC1(C)C 306477959 491051756 /nfs/dbraw/zinc/05/17/56/491051756.db2.gz BBMYGTAKWQSWOB-UTUOFQBUSA-N 1 0 195.350 3.201 20 0 AGADRO C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC1(C)C 306477951 491051788 /nfs/dbraw/zinc/05/17/88/491051788.db2.gz BBMYGTAKWQSWOB-GRYCIOLGSA-N 1 0 195.350 3.201 20 0 AGADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC1(C)C 306477954 491051799 /nfs/dbraw/zinc/05/17/99/491051799.db2.gz BBMYGTAKWQSWOB-IJLUTSLNSA-N 1 0 195.350 3.201 20 0 AGADRO CC(C)[NH+]1CC(C)(C)CC(C)(C)C1 306473280 491051836 /nfs/dbraw/zinc/05/18/36/491051836.db2.gz URKCJIRNOBEJGQ-UHFFFAOYSA-N 1 0 183.339 3.153 20 0 AGADRO CC(C)C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 306645487 491054227 /nfs/dbraw/zinc/05/42/27/491054227.db2.gz ARHYURJIBBNBFN-FRRDWIJNSA-N 1 0 195.350 3.201 20 0 AGADRO C[N@H+](CC1CCCCCC1)C1CC1 306502394 491052422 /nfs/dbraw/zinc/05/24/22/491052422.db2.gz OOVAOIVFDSMIGP-UHFFFAOYSA-N 1 0 181.323 3.051 20 0 AGADRO CC(C)C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 306645491 491054251 /nfs/dbraw/zinc/05/42/51/491054251.db2.gz ARHYURJIBBNBFN-JHJVBQTASA-N 1 0 195.350 3.201 20 0 AGADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC1(C)C 306518845 491052516 /nfs/dbraw/zinc/05/25/16/491052516.db2.gz ILHGYMGYNAEUBO-GRYCIOLGSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC1(C)C 306518848 491052561 /nfs/dbraw/zinc/05/25/61/491052561.db2.gz ILHGYMGYNAEUBO-WOPDTQHZSA-N 1 0 195.350 3.343 20 0 AGADRO CC1(C)CC([NH2+]Cc2cccs2)C1 306634676 491054283 /nfs/dbraw/zinc/05/42/83/491054283.db2.gz WRDLBNGDNJDKJG-UHFFFAOYSA-N 1 0 195.331 3.026 20 0 AGADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCC1(C)C 306518847 491052618 /nfs/dbraw/zinc/05/26/18/491052618.db2.gz ILHGYMGYNAEUBO-UTUOFQBUSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCC1(C)C 306518846 491052633 /nfs/dbraw/zinc/05/26/33/491052633.db2.gz ILHGYMGYNAEUBO-IJLUTSLNSA-N 1 0 195.350 3.343 20 0 AGADRO CC(C)C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 306645505 491054291 /nfs/dbraw/zinc/05/42/91/491054291.db2.gz ARHYURJIBBNBFN-YNEHKIRRSA-N 1 0 195.350 3.201 20 0 AGADRO CCC1(C)CCC([NH2+]C2CCC2)CC1 306644756 491054301 /nfs/dbraw/zinc/05/43/01/491054301.db2.gz NOVZPTWCEJCMHB-UHFFFAOYSA-N 1 0 195.350 3.487 20 0 AGADRO CC(C)C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 306645498 491054312 /nfs/dbraw/zinc/05/43/12/491054312.db2.gz ARHYURJIBBNBFN-RWMBFGLXSA-N 1 0 195.350 3.201 20 0 AGADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C)C1 306536683 491052752 /nfs/dbraw/zinc/05/27/52/491052752.db2.gz NKNFCPMCESWWFV-LOWDOPEQSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)C1 306536690 491052801 /nfs/dbraw/zinc/05/28/01/491052801.db2.gz NKNFCPMCESWWFV-LPWJVIDDSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 306536697 491052848 /nfs/dbraw/zinc/05/28/48/491052848.db2.gz NKNFCPMCESWWFV-NDBYEHHHSA-N 1 0 195.350 3.343 20 0 AGADRO CC1=CC[N@H+]([C@H](C)CC(C)C)CC1 306545908 491052992 /nfs/dbraw/zinc/05/29/92/491052992.db2.gz WIPQQHRHZDNOHT-GFCCVEGCSA-N 1 0 181.323 3.073 20 0 AGADRO CC1=CC[N@H+]([C@@H](C)CC(C)C)CC1 306545910 491053024 /nfs/dbraw/zinc/05/30/24/491053024.db2.gz WIPQQHRHZDNOHT-LBPRGKRZSA-N 1 0 181.323 3.073 20 0 AGADRO CC(C)CC[N@@H+]1CCCC[C@H](C)C1 306548794 491053112 /nfs/dbraw/zinc/05/31/12/491053112.db2.gz XTOIAGJONPSILD-LBPRGKRZSA-N 1 0 183.339 3.155 20 0 AGADRO C[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccsc1 306550685 491053116 /nfs/dbraw/zinc/05/31/16/491053116.db2.gz ZKQSLHKPHVMFMP-AOOOYVTPSA-N 1 0 195.331 3.121 20 0 AGADRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccsc1 306550689 491053155 /nfs/dbraw/zinc/05/31/55/491053155.db2.gz ZKQSLHKPHVMFMP-UWVGGRQHSA-N 1 0 195.331 3.121 20 0 AGADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccsc1 306550687 491053169 /nfs/dbraw/zinc/05/31/69/491053169.db2.gz ZKQSLHKPHVMFMP-NXEZZACHSA-N 1 0 195.331 3.121 20 0 AGADRO CC(C)CC[N@@H+]1CCCC[C@@H](C)C1 306548793 491053177 /nfs/dbraw/zinc/05/31/77/491053177.db2.gz XTOIAGJONPSILD-GFCCVEGCSA-N 1 0 183.339 3.155 20 0 AGADRO C1CCC([NH2+]C2CCC3(CC2)CC3)C1 306554862 491053222 /nfs/dbraw/zinc/05/32/22/491053222.db2.gz CEGOLDLMEMUVJY-UHFFFAOYSA-N 1 0 193.334 3.241 20 0 AGADRO CC(C)=CCCNc1cc[nH+]c(C)c1 306559280 491053316 /nfs/dbraw/zinc/05/33/16/491053316.db2.gz PWMLNDWGKBWMRU-UHFFFAOYSA-N 1 0 190.290 3.158 20 0 AGADRO C[C@H]1CCC[N@@H+](C2CCCC2)CC1 306563259 491053324 /nfs/dbraw/zinc/05/33/24/491053324.db2.gz VKPJOLOMSAIZBM-NSHDSACASA-N 1 0 181.323 3.051 20 0 AGADRO CC[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 306571503 491053409 /nfs/dbraw/zinc/05/34/09/491053409.db2.gz OACXKJZSEFHBAM-GHMZBOCLSA-N 1 0 181.323 3.097 20 0 AGADRO CC[C@H](C)[NH2+][C@@H]1CCC12CCCC2 306571507 491053436 /nfs/dbraw/zinc/05/34/36/491053436.db2.gz OACXKJZSEFHBAM-WDEREUQCSA-N 1 0 181.323 3.097 20 0 AGADRO CC[C@@H](C)[NH2+][C@H]1CCC12CCCC2 306571504 491053445 /nfs/dbraw/zinc/05/34/45/491053445.db2.gz OACXKJZSEFHBAM-MNOVXSKESA-N 1 0 181.323 3.097 20 0 AGADRO CC[C@H](C)[NH2+][C@H]1CCC12CCCC2 306571506 491053447 /nfs/dbraw/zinc/05/34/47/491053447.db2.gz OACXKJZSEFHBAM-QWRGUYRKSA-N 1 0 181.323 3.097 20 0 AGADRO CC(C)[C@H](C)[NH2+][C@@H]1CCC12CCCC2 306599280 491053799 /nfs/dbraw/zinc/05/37/99/491053799.db2.gz RBJLEXWWDODXHK-NWDGAFQWSA-N 1 0 195.350 3.343 20 0 AGADRO CC(C)[C@@H](C)[NH2+][C@H]1CCC12CCCC2 306599278 491053804 /nfs/dbraw/zinc/05/38/04/491053804.db2.gz RBJLEXWWDODXHK-NEPJUHHUSA-N 1 0 195.350 3.343 20 0 AGADRO CC(C)[C@H](C)[NH2+][C@H]1CCC12CCCC2 306599281 491053830 /nfs/dbraw/zinc/05/38/30/491053830.db2.gz RBJLEXWWDODXHK-RYUDHWBXSA-N 1 0 195.350 3.343 20 0 AGADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 306599282 491053837 /nfs/dbraw/zinc/05/38/37/491053837.db2.gz RBJLEXWWDODXHK-VXGBXAGGSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@H]1CCC[N@@H+]([C@H](C)CC)CC1 306605074 491053930 /nfs/dbraw/zinc/05/39/30/491053930.db2.gz PCTYADINDDKEAD-NEPJUHHUSA-N 1 0 183.339 3.297 20 0 AGADRO CC[C@H]1CCC[N@@H+]([C@@H](C)CC)CC1 306605076 491053952 /nfs/dbraw/zinc/05/39/52/491053952.db2.gz PCTYADINDDKEAD-RYUDHWBXSA-N 1 0 183.339 3.297 20 0 AGADRO CC[C@@H]1CCC[N@@H+]([C@H](C)CC)CC1 306605077 491053954 /nfs/dbraw/zinc/05/39/54/491053954.db2.gz PCTYADINDDKEAD-VXGBXAGGSA-N 1 0 183.339 3.297 20 0 AGADRO CC[C@H](C)[N@@H+]1CCC[C@@H](CC)CC1 306605075 491053986 /nfs/dbraw/zinc/05/39/86/491053986.db2.gz PCTYADINDDKEAD-NWDGAFQWSA-N 1 0 183.339 3.297 20 0 AGADRO CC(C)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 306691910 491054488 /nfs/dbraw/zinc/05/44/88/491054488.db2.gz OREOXJVAFWOUAP-LLVKDONJSA-N 1 0 183.339 3.010 20 0 AGADRO CC[C@@H](C)[NH2+]C1CCC2(CC1)CC2 306692094 491054508 /nfs/dbraw/zinc/05/45/08/491054508.db2.gz OXHIYNGPRKZDFH-SNVBAGLBSA-N 1 0 181.323 3.097 20 0 AGADRO CC(C)C[N@@H+]1CC[C@H](C)C(C)(C)C1 306691911 491054523 /nfs/dbraw/zinc/05/45/23/491054523.db2.gz OREOXJVAFWOUAP-NSHDSACASA-N 1 0 183.339 3.010 20 0 AGADRO CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 306690322 491054556 /nfs/dbraw/zinc/05/45/56/491054556.db2.gz MBVGNYGREBBDPT-NSHDSACASA-N 1 0 195.693 3.107 20 0 AGADRO CC1=CC[C@H]([NH2+]CC2CCCC2)CC1 306692232 491054578 /nfs/dbraw/zinc/05/45/78/491054578.db2.gz RIJCIINYZKFWML-ZDUSSCGKSA-N 1 0 193.334 3.265 20 0 AGADRO CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 306690321 491054596 /nfs/dbraw/zinc/05/45/96/491054596.db2.gz MBVGNYGREBBDPT-LLVKDONJSA-N 1 0 195.693 3.107 20 0 AGADRO CC[C@H](C)[NH2+]C1CCC2(CC1)CC2 306692093 491054630 /nfs/dbraw/zinc/05/46/30/491054630.db2.gz OXHIYNGPRKZDFH-JTQLQIEISA-N 1 0 181.323 3.097 20 0 AGADRO CC1=CC[C@@H]([NH2+]CC2CCCC2)CC1 306692231 491054639 /nfs/dbraw/zinc/05/46/39/491054639.db2.gz RIJCIINYZKFWML-CYBMUJFWSA-N 1 0 193.334 3.265 20 0 AGADRO CC1(C[NH2+][C@@H]2CCC2(C)C)CCCC1 306704370 491054910 /nfs/dbraw/zinc/05/49/10/491054910.db2.gz DWKIHCKVGWRKHE-LLVKDONJSA-N 1 0 195.350 3.345 20 0 AGADRO CC1(C[NH2+][C@H]2CCC2(C)C)CCCC1 306704374 491054946 /nfs/dbraw/zinc/05/49/46/491054946.db2.gz DWKIHCKVGWRKHE-NSHDSACASA-N 1 0 195.350 3.345 20 0 AGADRO CC[C@H](C)[N@@H+]1CCCC(C)(C)CC1 306719893 491055032 /nfs/dbraw/zinc/05/50/32/491055032.db2.gz YQPAMEREJMAJHJ-NSHDSACASA-N 1 0 183.339 3.297 20 0 AGADRO CC[C@@H](C)[N@@H+]1CCCC(C)(C)CC1 306719892 491055144 /nfs/dbraw/zinc/05/51/44/491055144.db2.gz YQPAMEREJMAJHJ-LLVKDONJSA-N 1 0 183.339 3.297 20 0 AGADRO CC(C)[N@H+](C)C[C@@H]1CCCC[C@H]1C 306760746 491055429 /nfs/dbraw/zinc/05/54/29/491055429.db2.gz RJGRGVZDPJLSEQ-NEPJUHHUSA-N 1 0 183.339 3.153 20 0 AGADRO CC(C)[N@H+](C)C[C@@H]1CCCC[C@@H]1C 306760763 491055507 /nfs/dbraw/zinc/05/55/07/491055507.db2.gz RJGRGVZDPJLSEQ-RYUDHWBXSA-N 1 0 183.339 3.153 20 0 AGADRO CC(C)[N@H+](C)C[C@H]1CCCC[C@@H]1C 306760752 491055566 /nfs/dbraw/zinc/05/55/66/491055566.db2.gz RJGRGVZDPJLSEQ-NWDGAFQWSA-N 1 0 183.339 3.153 20 0 AGADRO CC(C)[N@H+](C)C[C@H]1CCCC[C@H]1C 306760771 491055579 /nfs/dbraw/zinc/05/55/79/491055579.db2.gz RJGRGVZDPJLSEQ-VXGBXAGGSA-N 1 0 183.339 3.153 20 0 AGADRO Cc1ccsc1C[N@H+]1CCC[C@H]1C 306781394 491055653 /nfs/dbraw/zinc/05/56/53/491055653.db2.gz DUGRBBCPWPWNPO-SNVBAGLBSA-N 1 0 195.331 3.041 20 0 AGADRO Cc1ccsc1C[N@H+]1CCC[C@@H]1C 306781385 491055656 /nfs/dbraw/zinc/05/56/56/491055656.db2.gz DUGRBBCPWPWNPO-JTQLQIEISA-N 1 0 195.331 3.041 20 0 AGADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCC1 306776676 491055696 /nfs/dbraw/zinc/05/56/96/491055696.db2.gz ZNEWWVOMJWKDJT-NQBHXWOUSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CCC1 306776675 491055698 /nfs/dbraw/zinc/05/56/98/491055698.db2.gz ZNEWWVOMJWKDJT-LOWVWBTDSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CCC1 306776674 491055729 /nfs/dbraw/zinc/05/57/29/491055729.db2.gz ZNEWWVOMJWKDJT-DMDPSCGWSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCC1 306776677 491055733 /nfs/dbraw/zinc/05/57/33/491055733.db2.gz ZNEWWVOMJWKDJT-WZRBSPASSA-N 1 0 195.350 3.343 20 0 AGADRO CCC1(CC)CC[NH+](C(C)C)CC1 306784419 491055814 /nfs/dbraw/zinc/05/58/14/491055814.db2.gz IBUDPAVAXLVANC-UHFFFAOYSA-N 1 0 183.339 3.297 20 0 AGADRO CC(C)[N@H+](C)C[C@@H]1CCC[C@H](C)C1 306849338 491056133 /nfs/dbraw/zinc/05/61/33/491056133.db2.gz NROJCQMWMNUAII-NWDGAFQWSA-N 1 0 183.339 3.153 20 0 AGADRO CC(C)[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 306849340 491056158 /nfs/dbraw/zinc/05/61/58/491056158.db2.gz NROJCQMWMNUAII-VXGBXAGGSA-N 1 0 183.339 3.153 20 0 AGADRO CC(C)[N@H+](C)C[C@H]1CCC[C@H](C)C1 306849339 491056178 /nfs/dbraw/zinc/05/61/78/491056178.db2.gz NROJCQMWMNUAII-RYUDHWBXSA-N 1 0 183.339 3.153 20 0 AGADRO CC(C)[N@H+](C)C[C@H]1CCC[C@@H](C)C1 306849337 491056236 /nfs/dbraw/zinc/05/62/36/491056236.db2.gz NROJCQMWMNUAII-NEPJUHHUSA-N 1 0 183.339 3.153 20 0 AGADRO C[C@H]1CC[C@H](C)[NH+]1CC1CCCC1 306868632 491056270 /nfs/dbraw/zinc/05/62/70/491056270.db2.gz RLJQGSMAMTVJOS-QWRGUYRKSA-N 1 0 181.323 3.049 20 0 AGADRO CC1=CC[C@H]([NH2+][C@@H]2CCC[C@H]2C)CC1 306867311 491056277 /nfs/dbraw/zinc/05/62/77/491056277.db2.gz PDQGWMJWODLSDA-FRRDWIJNSA-N 1 0 193.334 3.263 20 0 AGADRO CC1=CC[C@H]([NH2+][C@H]2CCC[C@@H]2C)CC1 306867310 491056297 /nfs/dbraw/zinc/05/62/97/491056297.db2.gz PDQGWMJWODLSDA-AVGNSLFASA-N 1 0 193.334 3.263 20 0 AGADRO CC1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C)CC1 306867312 491056315 /nfs/dbraw/zinc/05/63/15/491056315.db2.gz PDQGWMJWODLSDA-RWMBFGLXSA-N 1 0 193.334 3.263 20 0 AGADRO C[C@H]1CC[C@@H](C)[N@@H+]1CC1CCCC1 306868631 491056318 /nfs/dbraw/zinc/05/63/18/491056318.db2.gz RLJQGSMAMTVJOS-PHIMTYICSA-N 1 0 181.323 3.049 20 0 AGADRO CC(C)=CC[NH2+][C@@H]1CCC12CCCC2 306854802 491056322 /nfs/dbraw/zinc/05/63/22/491056322.db2.gz AWULBRZQBDFPES-GFCCVEGCSA-N 1 0 193.334 3.265 20 0 AGADRO C[C@@H]1CC[C@@H](C)[NH+]1CC1CCCC1 306868630 491056323 /nfs/dbraw/zinc/05/63/23/491056323.db2.gz RLJQGSMAMTVJOS-GHMZBOCLSA-N 1 0 181.323 3.049 20 0 AGADRO CC(C)=CC[NH2+][C@H]1CCC12CCCC2 306854803 491056351 /nfs/dbraw/zinc/05/63/51/491056351.db2.gz AWULBRZQBDFPES-LBPRGKRZSA-N 1 0 193.334 3.265 20 0 AGADRO CC1=CC[C@H]([NH2+][C@H]2CCC[C@H]2C)CC1 306867309 491056367 /nfs/dbraw/zinc/05/63/67/491056367.db2.gz PDQGWMJWODLSDA-AGIUHOORSA-N 1 0 193.334 3.263 20 0 AGADRO CC1(C)CC(C[NH2+]C2CC(C)(C)C2)C1 306920106 491056474 /nfs/dbraw/zinc/05/64/74/491056474.db2.gz FOIKPUMSFPZPCM-UHFFFAOYSA-N 1 0 195.350 3.201 20 0 AGADRO CC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C 306924213 491056477 /nfs/dbraw/zinc/05/64/77/491056477.db2.gz IRKOMYDIPSTDCJ-QWRGUYRKSA-N 1 0 183.339 3.153 20 0 AGADRO CC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C 306924214 491056514 /nfs/dbraw/zinc/05/65/14/491056514.db2.gz IRKOMYDIPSTDCJ-WDEREUQCSA-N 1 0 183.339 3.153 20 0 AGADRO CC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C 306924211 491056581 /nfs/dbraw/zinc/05/65/81/491056581.db2.gz IRKOMYDIPSTDCJ-GHMZBOCLSA-N 1 0 183.339 3.153 20 0 AGADRO CC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C 306924212 491056588 /nfs/dbraw/zinc/05/65/88/491056588.db2.gz IRKOMYDIPSTDCJ-MNOVXSKESA-N 1 0 183.339 3.153 20 0 AGADRO C[C@H]([NH2+][C@H]1CCCC12CCC2)C1CC1 306930891 491056756 /nfs/dbraw/zinc/05/67/56/491056756.db2.gz CGEUIYNUQDLWQZ-JQWIXIFHSA-N 1 0 193.334 3.097 20 0 AGADRO C[C@H]([NH2+][C@@H]1CCCC12CCC2)C1CC1 306930890 491056884 /nfs/dbraw/zinc/05/68/84/491056884.db2.gz CGEUIYNUQDLWQZ-CMPLNLGQSA-N 1 0 193.334 3.097 20 0 AGADRO C[C@@H]1CCCC[N@@H+]1CC1(C)CCC1 306956663 491056955 /nfs/dbraw/zinc/05/69/55/491056955.db2.gz RWOAAAJXTLIBOG-LLVKDONJSA-N 1 0 181.323 3.051 20 0 AGADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 307207232 491059450 /nfs/dbraw/zinc/05/94/50/491059450.db2.gz MDWRKCQPVXMCSG-WUHRBBMRSA-N 1 0 195.350 3.343 20 0 AGADRO C[C@H]1CCCC[N@@H+]1CC1(C)CCC1 306956664 491057028 /nfs/dbraw/zinc/05/70/28/491057028.db2.gz RWOAAAJXTLIBOG-NSHDSACASA-N 1 0 181.323 3.051 20 0 AGADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 307207234 491059467 /nfs/dbraw/zinc/05/94/67/491059467.db2.gz MDWRKCQPVXMCSG-ZDEQEGDKSA-N 1 0 195.350 3.343 20 0 AGADRO CC1CCC(C)([NH2+]C[C@H]2C[C@@H]2C)CC1 306990510 491057395 /nfs/dbraw/zinc/05/73/95/491057395.db2.gz JAZGNQDFDLRKJU-CMOBGSAGSA-N 1 0 195.350 3.201 20 0 AGADRO CC1CCC(C)([NH2+]C[C@H]2C[C@H]2C)CC1 306990512 491057402 /nfs/dbraw/zinc/05/74/02/491057402.db2.gz JAZGNQDFDLRKJU-QZQSVVMZSA-N 1 0 195.350 3.201 20 0 AGADRO CC1CCC(C)([NH2+]C[C@@H]2C[C@H]2C)CC1 306990511 491057457 /nfs/dbraw/zinc/05/74/57/491057457.db2.gz JAZGNQDFDLRKJU-QBHFIFKDSA-N 1 0 195.350 3.201 20 0 AGADRO CC(C)=CC[N@@H+](C)C1CCCCC1 306993942 491057467 /nfs/dbraw/zinc/05/74/67/491057467.db2.gz MDDZKKIBUJQORO-UHFFFAOYSA-N 1 0 181.323 3.217 20 0 AGADRO CC(C)C[C@H](C)[NH+]1CCC(C)CC1 306977908 491057498 /nfs/dbraw/zinc/05/74/98/491057498.db2.gz CUGFVIZGSHXBJN-LBPRGKRZSA-N 1 0 183.339 3.153 20 0 AGADRO CC1CCC(C)([NH2+]C[C@@H]2C[C@@H]2C)CC1 306990513 491057509 /nfs/dbraw/zinc/05/75/09/491057509.db2.gz JAZGNQDFDLRKJU-ZFQMDJOTSA-N 1 0 195.350 3.201 20 0 AGADRO CC(C)C[C@@H](C)[NH+]1CCC(C)CC1 306977906 491057527 /nfs/dbraw/zinc/05/75/27/491057527.db2.gz CUGFVIZGSHXBJN-GFCCVEGCSA-N 1 0 183.339 3.153 20 0 AGADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 307207231 491059515 /nfs/dbraw/zinc/05/95/15/491059515.db2.gz MDWRKCQPVXMCSG-UMSGYPCISA-N 1 0 195.350 3.343 20 0 AGADRO CC(C)=CCCNc1cccc(C)[nH+]1 307207598 491059517 /nfs/dbraw/zinc/05/95/17/491059517.db2.gz MWSCHHXHPXZYFY-UHFFFAOYSA-N 1 0 190.290 3.158 20 0 AGADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 307207230 491059519 /nfs/dbraw/zinc/05/95/19/491059519.db2.gz MDWRKCQPVXMCSG-QNWHQSFQSA-N 1 0 195.350 3.343 20 0 AGADRO C[C@H]1CCCC[N@@H+]1Cc1ccsc1 307033282 491058024 /nfs/dbraw/zinc/05/80/24/491058024.db2.gz LPVONUMJJWCLGO-JTQLQIEISA-N 1 0 195.331 3.123 20 0 AGADRO C[C@H]1CC[C@H](C)[NH+]1Cc1cccs1 307047716 491058045 /nfs/dbraw/zinc/05/80/45/491058045.db2.gz AUNCELYTNOXVLJ-UWVGGRQHSA-N 1 0 195.331 3.121 20 0 AGADRO C[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccs1 307047711 491058082 /nfs/dbraw/zinc/05/80/82/491058082.db2.gz AUNCELYTNOXVLJ-AOOOYVTPSA-N 1 0 195.331 3.121 20 0 AGADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccs1 307047713 491058086 /nfs/dbraw/zinc/05/80/86/491058086.db2.gz AUNCELYTNOXVLJ-NXEZZACHSA-N 1 0 195.331 3.121 20 0 AGADRO C[C@@H]1CCCC[N@@H+]1Cc1ccsc1 307033283 491058087 /nfs/dbraw/zinc/05/80/87/491058087.db2.gz LPVONUMJJWCLGO-SNVBAGLBSA-N 1 0 195.331 3.123 20 0 AGADRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCC1(C)C 307057984 491058146 /nfs/dbraw/zinc/05/81/46/491058146.db2.gz ASQATVCWXGYZRF-GHMZBOCLSA-N 1 0 195.350 3.343 20 0 AGADRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCC1(C)C 307057997 491058150 /nfs/dbraw/zinc/05/81/50/491058150.db2.gz ASQATVCWXGYZRF-WDEREUQCSA-N 1 0 195.350 3.343 20 0 AGADRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC1(C)C 307057989 491058214 /nfs/dbraw/zinc/05/82/14/491058214.db2.gz ASQATVCWXGYZRF-MNOVXSKESA-N 1 0 195.350 3.343 20 0 AGADRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCC1(C)C 307057993 491058216 /nfs/dbraw/zinc/05/82/16/491058216.db2.gz ASQATVCWXGYZRF-QWRGUYRKSA-N 1 0 195.350 3.343 20 0 AGADRO CC1(C)CC[C@@H]([NH2+]C2(C3CC3)CC2)C1 307079087 491058267 /nfs/dbraw/zinc/05/82/67/491058267.db2.gz HQUTTYBOXLOYJM-LLVKDONJSA-N 1 0 193.334 3.097 20 0 AGADRO CC1(C)CC[C@H]([NH2+]C2(C3CC3)CC2)C1 307079088 491058300 /nfs/dbraw/zinc/05/83/00/491058300.db2.gz HQUTTYBOXLOYJM-NSHDSACASA-N 1 0 193.334 3.097 20 0 AGADRO CC1=CC[C@H]([NH2+][C@H](C)C2CCC2)CC1 307132616 491058731 /nfs/dbraw/zinc/05/87/31/491058731.db2.gz HDXKHAOFPFMOKJ-YPMHNXCESA-N 1 0 193.334 3.263 20 0 AGADRO CC1(C)CC[C@H]1[NH2+][C@H]1CC[C@H](C)CC1 307136914 491058753 /nfs/dbraw/zinc/05/87/53/491058753.db2.gz VWELGVTUVYFLCA-IJLUTSLNSA-N 1 0 195.350 3.343 20 0 AGADRO CC1=CC[C@@H]([NH2+][C@H](C)C2CCC2)CC1 307132614 491058773 /nfs/dbraw/zinc/05/87/73/491058773.db2.gz HDXKHAOFPFMOKJ-DGCLKSJQSA-N 1 0 193.334 3.263 20 0 AGADRO CC1=CC[C@H]([NH2+][C@@H](C)C2CCC2)CC1 307132613 491058778 /nfs/dbraw/zinc/05/87/78/491058778.db2.gz HDXKHAOFPFMOKJ-AAEUAGOBSA-N 1 0 193.334 3.263 20 0 AGADRO CC1=CC[C@@H]([NH2+][C@@H](C)C2CCC2)CC1 307132615 491058794 /nfs/dbraw/zinc/05/87/94/491058794.db2.gz HDXKHAOFPFMOKJ-WCQYABFASA-N 1 0 193.334 3.263 20 0 AGADRO CC1(C)CC[C@@H]1[NH2+][C@H]1CC[C@H](C)CC1 307136915 491058812 /nfs/dbraw/zinc/05/88/12/491058812.db2.gz VWELGVTUVYFLCA-SRVKXCTJSA-N 1 0 195.350 3.343 20 0 AGADRO CC[C@@H]1CC[C@@H]1[NH2+]C1CCCCC1 307150007 491058904 /nfs/dbraw/zinc/05/89/04/491058904.db2.gz SGSYTUUVAVQISW-PWSUYJOCSA-N 1 0 181.323 3.097 20 0 AGADRO CC[C@H]1CC[C@@H]1[NH2+]C1CCCCC1 307150006 491058913 /nfs/dbraw/zinc/05/89/13/491058913.db2.gz SGSYTUUVAVQISW-JQWIXIFHSA-N 1 0 181.323 3.097 20 0 AGADRO CC[C@@H]1CC[C@H]1[NH2+]C1CCCCC1 307150008 491058948 /nfs/dbraw/zinc/05/89/48/491058948.db2.gz SGSYTUUVAVQISW-ZYHUDNBSSA-N 1 0 181.323 3.097 20 0 AGADRO CC[C@H]1CC[C@H]1[NH2+]C1CCCCC1 307150005 491058965 /nfs/dbraw/zinc/05/89/65/491058965.db2.gz SGSYTUUVAVQISW-CMPLNLGQSA-N 1 0 181.323 3.097 20 0 AGADRO CCC[C@@H](C)[N@@H+]1CCCC[C@@H](C)C1 307257346 491060059 /nfs/dbraw/zinc/06/00/59/491060059.db2.gz IZMRHAKABAVQHJ-VXGBXAGGSA-N 1 0 183.339 3.297 20 0 AGADRO CC[C@H]1c2ccsc2CC[N@H+]1CC 307233459 491059739 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AGADRO CC(C)[N@H+](C/C=C/Cl)C1CCC1 379324271 697817149 /nfs/dbraw/zinc/81/71/49/697817149.db2.gz XITGWVCJHUABGZ-QPJJXVBHSA-N 1 0 187.714 3.002 20 0 AGADRO CC(C)[N@H+](C/C=C\Cl)C1CCC1 379324270 697817300 /nfs/dbraw/zinc/81/73/00/697817300.db2.gz XITGWVCJHUABGZ-DAXSKMNVSA-N 1 0 187.714 3.002 20 0 AGADRO CC[N@H+](C/C=C/Cl)CC(C)(C)C 379328567 697822002 /nfs/dbraw/zinc/82/20/02/697822002.db2.gz QCESFNMYZSOCGX-VOTSOKGWSA-N 1 0 189.730 3.107 20 0 AGADRO CC[N@H+](C/C=C\Cl)CC(C)(C)C 379328566 697822305 /nfs/dbraw/zinc/82/23/05/697822305.db2.gz QCESFNMYZSOCGX-SREVYHEPSA-N 1 0 189.730 3.107 20 0 AGADRO CCCCCC[N@H+](CC)C1CC1 379330779 697825139 /nfs/dbraw/zinc/82/51/39/697825139.db2.gz YFOUGXGBAZIHOJ-UHFFFAOYSA-N 1 0 169.312 3.051 20 0 AGADRO CCC[N@H+](C/C=C\Cl)CC(C)C 379332374 697826777 /nfs/dbraw/zinc/82/67/77/697826777.db2.gz HLOAZEGTRNFWDQ-WAYWQWQTSA-N 1 0 189.730 3.107 20 0 AGADRO CCC[N@H+](C/C=C/Cl)CC(C)C 379332373 697827077 /nfs/dbraw/zinc/82/70/77/697827077.db2.gz HLOAZEGTRNFWDQ-AATRIKPKSA-N 1 0 189.730 3.107 20 0 AGADRO CCCC[N@H+](C/C=C\Cl)C1CC1 379333408 697827342 /nfs/dbraw/zinc/82/73/42/697827342.db2.gz KIGYSBVUTUJCSN-DAXSKMNVSA-N 1 0 187.714 3.003 20 0 AGADRO CCCC[N@H+](C/C=C/Cl)C1CC1 379333409 697827488 /nfs/dbraw/zinc/82/74/88/697827488.db2.gz KIGYSBVUTUJCSN-QPJJXVBHSA-N 1 0 187.714 3.003 20 0 AGADRO Cl/C=C\C[NH+]1CCCCCCC1 379337908 697831221 /nfs/dbraw/zinc/83/12/21/697831221.db2.gz ZXLHYGYOELMYMX-SREVYHEPSA-N 1 0 187.714 3.005 20 0 AGADRO CC[N@H+](C[Si](C)(C)C)C1CCCC1 379359677 697840730 /nfs/dbraw/zinc/84/07/30/697840730.db2.gz ZKYBMUFMEYVINJ-UHFFFAOYSA-N 1 0 199.414 3.128 20 0 AGADRO CCCC[C@H](C)[NH2+][C@H]1CCC1(C)C 379372114 697849143 /nfs/dbraw/zinc/84/91/43/697849143.db2.gz UXOCQPDPACBVKA-QWRGUYRKSA-N 1 0 183.339 3.343 20 0 AGADRO CCCC[C@@H](C)[NH2+][C@H]1CCC1(C)C 379372113 697849145 /nfs/dbraw/zinc/84/91/45/697849145.db2.gz UXOCQPDPACBVKA-MNOVXSKESA-N 1 0 183.339 3.343 20 0 AGADRO CCCC[C@H](C)[NH2+][C@@H]1CCC1(C)C 379372115 697849415 /nfs/dbraw/zinc/84/94/15/697849415.db2.gz UXOCQPDPACBVKA-WDEREUQCSA-N 1 0 183.339 3.343 20 0 AGADRO CCCC[C@@H](C)[NH2+][C@@H]1CCC1(C)C 379372112 697849434 /nfs/dbraw/zinc/84/94/34/697849434.db2.gz UXOCQPDPACBVKA-GHMZBOCLSA-N 1 0 183.339 3.343 20 0 AGADRO CCCCCC[NH2+]C1CC(C)(C)C1 379397615 697872916 /nfs/dbraw/zinc/87/29/16/697872916.db2.gz DWNANNQHCZLDRR-UHFFFAOYSA-N 1 0 183.339 3.345 20 0 AGADRO CCCCCC[N@@H+]1CCC(C)(C)C1 379412548 697888225 /nfs/dbraw/zinc/88/82/25/697888225.db2.gz KLWUMXIDQKZAHI-UHFFFAOYSA-N 1 0 183.339 3.299 20 0 AGADRO CCCCCC[N@H+](C(C)C)C1CC1 379420093 697895889 /nfs/dbraw/zinc/89/58/89/697895889.db2.gz ZPWOIUNHRLLWRZ-UHFFFAOYSA-N 1 0 183.339 3.440 20 0 AGADRO C[C@H]1CC[C@@H]1[NH2+]CCC1=CCCCC1 379548349 697899196 /nfs/dbraw/zinc/89/91/96/697899196.db2.gz YQUDDLWJYAJOTI-AAEUAGOBSA-N 1 0 193.334 3.265 20 0 AGADRO C[C@@H]1CC[C@@H]1[NH2+]CCC1=CCCCC1 379548352 697899323 /nfs/dbraw/zinc/89/93/23/697899323.db2.gz YQUDDLWJYAJOTI-YPMHNXCESA-N 1 0 193.334 3.265 20 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/nfs/dbraw/zinc/90/31/23/697903123.db2.gz BKTRROLKOCOYJA-VXGBXAGGSA-N 1 0 195.350 3.201 20 0 AGADRO CC(C)CC1(C[NH2+][C@H]2CC[C@H]2C)CC1 379593245 697903038 /nfs/dbraw/zinc/90/30/38/697903038.db2.gz BKTRROLKOCOYJA-NEPJUHHUSA-N 1 0 195.350 3.201 20 0 AGADRO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 379592152 697903042 /nfs/dbraw/zinc/90/30/42/697903042.db2.gz YDETWHDZAWHFHH-CYZMBNFOSA-N 1 0 195.350 3.199 20 0 AGADRO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1 379592157 697903086 /nfs/dbraw/zinc/90/30/86/697903086.db2.gz YDETWHDZAWHFHH-WCFLWFBJSA-N 1 0 195.350 3.199 20 0 AGADRO CC(C)CC1(C[NH2+][C@H]2CC[C@@H]2C)CC1 379593247 697903106 /nfs/dbraw/zinc/90/31/06/697903106.db2.gz BKTRROLKOCOYJA-RYUDHWBXSA-N 1 0 195.350 3.201 20 0 AGADRO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1 379592153 697903155 /nfs/dbraw/zinc/90/31/55/697903155.db2.gz YDETWHDZAWHFHH-DRZSPHRISA-N 1 0 195.350 3.199 20 0 AGADRO CC(C)CC1(C[NH2+][C@@H]2CC[C@@H]2C)CC1 379593246 697903191 /nfs/dbraw/zinc/90/31/91/697903191.db2.gz BKTRROLKOCOYJA-NWDGAFQWSA-N 1 0 195.350 3.201 20 0 AGADRO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 379592154 697903219 /nfs/dbraw/zinc/90/32/19/697903219.db2.gz YDETWHDZAWHFHH-UHTWSYAYSA-N 1 0 195.350 3.199 20 0 AGADRO CCC(CC)C[NH2+][C@@H]1CC[C@H]1C1CC1 379605132 697904010 /nfs/dbraw/zinc/90/40/10/697904010.db2.gz PPXSDLCJLYDRTG-QWHCGFSZSA-N 1 0 195.350 3.201 20 0 AGADRO CCC(CC)C[NH2+][C@@H]1CC[C@@H]1C1CC1 379605123 697904056 /nfs/dbraw/zinc/90/40/56/697904056.db2.gz PPXSDLCJLYDRTG-CHWSQXEVSA-N 1 0 195.350 3.201 20 0 AGADRO CCC(C)(C)C[NH2+][C@H]1CC[C@@H]1C1CC1 379600869 697904059 /nfs/dbraw/zinc/90/40/59/697904059.db2.gz LGNURBZCOQUJQW-NEPJUHHUSA-N 1 0 195.350 3.201 20 0 AGADRO CCC(C)(C)C[NH2+][C@@H]1CC[C@@H]1C1CC1 379600872 697904117 /nfs/dbraw/zinc/90/41/17/697904117.db2.gz LGNURBZCOQUJQW-VXGBXAGGSA-N 1 0 195.350 3.201 20 0 AGADRO CCC[C@H](CC)[NH2+][C@H]1CC[C@H]1C1CC1 379602586 697904137 /nfs/dbraw/zinc/90/41/37/697904137.db2.gz MTAVILIIIWIRLL-AVGNSLFASA-N 1 0 195.350 3.343 20 0 AGADRO CCC(CC)C[NH2+][C@H]1CC[C@@H]1C1CC1 379605124 697904155 /nfs/dbraw/zinc/90/41/55/697904155.db2.gz PPXSDLCJLYDRTG-OLZOCXBDSA-N 1 0 195.350 3.201 20 0 AGADRO CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]1C1CC1 379602587 697904220 /nfs/dbraw/zinc/90/42/20/697904220.db2.gz MTAVILIIIWIRLL-RWMBFGLXSA-N 1 0 195.350 3.343 20 0 AGADRO CCC(C)(C)C[NH2+][C@@H]1CC[C@H]1C1CC1 379600870 697904265 /nfs/dbraw/zinc/90/42/65/697904265.db2.gz LGNURBZCOQUJQW-NWDGAFQWSA-N 1 0 195.350 3.201 20 0 AGADRO CCC(C)(C)C[NH2+][C@H]1CC[C@H]1C1CC1 379600871 697904300 /nfs/dbraw/zinc/90/43/00/697904300.db2.gz LGNURBZCOQUJQW-RYUDHWBXSA-N 1 0 195.350 3.201 20 0 AGADRO CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]1C1CC1 379602589 697904302 /nfs/dbraw/zinc/90/43/02/697904302.db2.gz MTAVILIIIWIRLL-YNEHKIRRSA-N 1 0 195.350 3.343 20 0 AGADRO CCC[C@H](CC)[NH2+][C@H]1CC[C@@H]1C1CC1 379602588 697904322 /nfs/dbraw/zinc/90/43/22/697904322.db2.gz MTAVILIIIWIRLL-XQQFMLRXSA-N 1 0 195.350 3.343 20 0 AGADRO CCC(CC)C[NH2+][C@H]1CC[C@H]1C1CC1 379605133 697904329 /nfs/dbraw/zinc/90/43/29/697904329.db2.gz PPXSDLCJLYDRTG-STQMWFEESA-N 1 0 195.350 3.201 20 0 AGADRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc[nH]1 379606446 697904696 /nfs/dbraw/zinc/90/46/96/697904696.db2.gz QPLFMHKDLBTXBM-JTQLQIEISA-N 1 0 194.322 3.102 20 0 AGADRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc[nH]1 379606450 697904828 /nfs/dbraw/zinc/90/48/28/697904828.db2.gz QPLFMHKDLBTXBM-SNVBAGLBSA-N 1 0 194.322 3.102 20 0 AGADRO CC(C)=CCC[NH2+][C@H]1CC[C@@H]1C1CC1 379634891 697907076 /nfs/dbraw/zinc/90/70/76/697907076.db2.gz QITCRDSETICNRE-OLZOCXBDSA-N 1 0 193.334 3.121 20 0 AGADRO CC(C)=CCC[NH2+][C@@H]1CC[C@H]1C1CC1 379634893 697907299 /nfs/dbraw/zinc/90/72/99/697907299.db2.gz QITCRDSETICNRE-QWHCGFSZSA-N 1 0 193.334 3.121 20 0 AGADRO CC(C)=CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 379634888 697907353 /nfs/dbraw/zinc/90/73/53/697907353.db2.gz QITCRDSETICNRE-CHWSQXEVSA-N 1 0 193.334 3.121 20 0 AGADRO CC(C)=CCC[NH2+][C@H]1CC[C@H]1C1CC1 379634895 697907365 /nfs/dbraw/zinc/90/73/65/697907365.db2.gz QITCRDSETICNRE-STQMWFEESA-N 1 0 193.334 3.121 20 0 AGADRO CCC1([NH2+]C/C=C/Cl)CCCC1 382558508 697924811 /nfs/dbraw/zinc/92/48/11/697924811.db2.gz JSODIBDEWJPEKP-VMPITWQZSA-N 1 0 187.714 3.051 20 0 AGADRO CCC1([NH2+]C/C=C\Cl)CCCC1 382558524 697924841 /nfs/dbraw/zinc/92/48/41/697924841.db2.gz JSODIBDEWJPEKP-YVMONPNESA-N 1 0 187.714 3.051 20 0 AGADRO C[C@@H](CC(C)(C)C)[NH2+]C1CC=CC1 384932143 697932332 /nfs/dbraw/zinc/93/23/32/697932332.db2.gz QEGWUBZABSWEGW-JTQLQIEISA-N 1 0 181.323 3.119 20 0 AGADRO C[C@@H](CC(C)(C)C)[NH2+]C/C=C/Cl 384704297 697930894 /nfs/dbraw/zinc/93/08/94/697930894.db2.gz ZYSDOUNWDBBUEP-CYNONHLPSA-N 1 0 189.730 3.153 20 0 AGADRO C[C@H](CC(C)(C)C)[NH2+]C/C=C\Cl 384704298 697930919 /nfs/dbraw/zinc/93/09/19/697930919.db2.gz ZYSDOUNWDBBUEP-SSJHQANKSA-N 1 0 189.730 3.153 20 0 AGADRO C[C@@H](CC(C)(C)C)[NH2+]C/C=C\Cl 384704299 697930984 /nfs/dbraw/zinc/93/09/84/697930984.db2.gz ZYSDOUNWDBBUEP-UDIARPCQSA-N 1 0 189.730 3.153 20 0 AGADRO C[C@H](CC(C)(C)C)[NH2+]C/C=C/Cl 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166899763 /nfs/dbraw/zinc/89/97/63/166899763.db2.gz QEJPYRNXKASEQO-JTQLQIEISA-N 1 0 195.281 3.276 20 0 AGADRO CCCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 82835836 166900380 /nfs/dbraw/zinc/90/03/80/166900380.db2.gz SYGMCHBBGMQMJP-IJLUTSLNSA-N 1 0 183.339 3.201 20 0 AGADRO CCCC[NH2+][C@H](C)c1cccc(F)c1 19907133 166900871 /nfs/dbraw/zinc/90/08/71/166900871.db2.gz QEJPYRNXKASEQO-SNVBAGLBSA-N 1 0 195.281 3.276 20 0 AGADRO CCCC[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 238854729 166901237 /nfs/dbraw/zinc/90/12/37/166901237.db2.gz OXZCTURCBKJXNG-GDNZZTSVSA-N 1 0 183.339 3.201 20 0 AGADRO CCCC[NH2+][C@H](C)c1cccc(C)c1 37197963 166901460 /nfs/dbraw/zinc/90/14/60/166901460.db2.gz PLLDEOQDWBWBQD-GFCCVEGCSA-N 1 0 191.318 3.446 20 0 AGADRO CCCC[NH2+][C@H](C)c1ccc(C)cc1 19906964 166901493 /nfs/dbraw/zinc/90/14/93/166901493.db2.gz NSBHIEFRRHXBQM-GFCCVEGCSA-N 1 0 191.318 3.446 20 0 AGADRO CCCC[C@@H](C)[NH2+]CC(C)(C)C 40492956 166914932 /nfs/dbraw/zinc/91/49/32/166914932.db2.gz POUMFJVHOYOKDX-SNVBAGLBSA-N 1 0 171.328 3.201 20 0 AGADRO CCCC[C@@H]([NH3+])c1ccc(F)cc1F 19969025 166916043 /nfs/dbraw/zinc/91/60/43/166916043.db2.gz BWGJXDWRLPCNRN-LLVKDONJSA-N 1 0 199.244 3.155 20 0 AGADRO CCCC[C@@H]([NH3+])c1ccc(F)c(F)c1 19968489 166916604 /nfs/dbraw/zinc/91/66/04/166916604.db2.gz VWKLUSAXNDCDGS-LLVKDONJSA-N 1 0 199.244 3.155 20 0 AGADRO CCCC[C@@H]([NH3+])c1ccc(CC)cc1 19968620 166917863 /nfs/dbraw/zinc/91/78/63/166917863.db2.gz LFWAVNNGXHIEPG-CYBMUJFWSA-N 1 0 191.318 3.439 20 0 AGADRO CCCC[C@H]([NH3+])c1ccccc1F 62774573 166926159 /nfs/dbraw/zinc/92/61/59/166926159.db2.gz AXCWVIHVNAGZRO-NSHDSACASA-N 1 0 181.254 3.016 20 0 AGADRO CCCC[C@H]([NH3+])c1ccc(CC)cc1 19968621 166926367 /nfs/dbraw/zinc/92/63/67/166926367.db2.gz LFWAVNNGXHIEPG-ZDUSSCGKSA-N 1 0 191.318 3.439 20 0 AGADRO CCCC[C@H]([NH3+])c1cc(C)ccc1C 19971606 166926777 /nfs/dbraw/zinc/92/67/77/166926777.db2.gz UUKOLMVONAMBAL-ZDUSSCGKSA-N 1 0 191.318 3.493 20 0 AGADRO CCCC[C@H]([NH3+])c1ccc(F)c(F)c1 19968490 166926958 /nfs/dbraw/zinc/92/69/58/166926958.db2.gz VWKLUSAXNDCDGS-NSHDSACASA-N 1 0 199.244 3.155 20 0 AGADRO CCC[NH2+]C1CCCCCCC1 19807361 166986314 /nfs/dbraw/zinc/98/63/14/166986314.db2.gz ODBVEGWTXOEBIY-UHFFFAOYSA-N 1 0 169.312 3.099 20 0 AGADRO CCC[NH2+][C@@H](C)c1cccc(C)c1 37184370 166994327 /nfs/dbraw/zinc/99/43/27/166994327.db2.gz YGKNDPXNHMLSLD-NSHDSACASA-N 1 0 177.291 3.056 20 0 AGADRO CCC[NH2+][C@@H](C)c1ccc(C)cc1 19470722 166995222 /nfs/dbraw/zinc/99/52/22/166995222.db2.gz IWUYVASNOVUBOV-NSHDSACASA-N 1 0 177.291 3.056 20 0 AGADRO CCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 34995066 166996701 /nfs/dbraw/zinc/99/67/01/166996701.db2.gz QNVORIZOMBUTPG-JHJVBQTASA-N 1 0 195.350 3.345 20 0 AGADRO CCC[NH2+][C@@H]1CCCC[C@H]1CCC 42403437 166998295 /nfs/dbraw/zinc/99/82/95/166998295.db2.gz ZPQWQUKXOHKNFB-VXGBXAGGSA-N 1 0 183.339 3.345 20 0 AGADRO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC 43653325 166998779 /nfs/dbraw/zinc/99/87/79/166998779.db2.gz RLRDBPUHHPGQEP-SDDRHHMPSA-N 1 0 183.339 3.201 20 0 AGADRO CCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 34995064 166999127 /nfs/dbraw/zinc/99/91/27/166999127.db2.gz QNVORIZOMBUTPG-YNEHKIRRSA-N 1 0 195.350 3.345 20 0 AGADRO CCC[NH2+][C@H](C)c1ccc(CC)cc1 19807438 167000184 /nfs/dbraw/zinc/00/01/84/167000184.db2.gz IRYCVRULGIUZGQ-LLVKDONJSA-N 1 0 191.318 3.310 20 0 AGADRO CCC[NH2+][C@H](C)c1cc(C)ccc1C 19807417 167000232 /nfs/dbraw/zinc/00/02/32/167000232.db2.gz KJLQKKKOMNYPMS-GFCCVEGCSA-N 1 0 191.318 3.364 20 0 AGADRO CCC[NH2+][C@H](C)c1cc(C)sc1C 20084320 167000620 /nfs/dbraw/zinc/00/06/20/167000620.db2.gz KHNFCEMIXCCCMO-SECBINFHSA-N 1 0 197.347 3.426 20 0 AGADRO CCC[NH2+][C@H](C)CCc1ccsc1 38001156 167000634 /nfs/dbraw/zinc/00/06/34/167000634.db2.gz PGPSPRSCFUXIDX-SNVBAGLBSA-N 1 0 197.347 3.069 20 0 AGADRO CCC[NH2+][C@H](C)c1c(F)cccc1F 19427309 167000709 /nfs/dbraw/zinc/00/07/09/167000709.db2.gz DEWLNVLVXXHDNA-MRVPVSSYSA-N 1 0 199.244 3.025 20 0 AGADRO CCC[NH2+][C@H](C)c1cccc(C)c1 37184371 167000886 /nfs/dbraw/zinc/00/08/86/167000886.db2.gz YGKNDPXNHMLSLD-LLVKDONJSA-N 1 0 177.291 3.056 20 0 AGADRO CCC[NH2+][C@H]1CCCc2sccc21 61324191 167003344 /nfs/dbraw/zinc/00/33/44/167003344.db2.gz LPJCKTNDFNDVCR-JTQLQIEISA-N 1 0 195.331 3.125 20 0 AGADRO CCC[NH2+][C@H]1CCCC[C@@H]1CCC 42403434 167003458 /nfs/dbraw/zinc/00/34/58/167003458.db2.gz ZPQWQUKXOHKNFB-RYUDHWBXSA-N 1 0 183.339 3.345 20 0 AGADRO CCC[C@@H](C)[NH2+]C1CCC(C)CC1 19918027 167031915 /nfs/dbraw/zinc/03/19/15/167031915.db2.gz AZKSHSNNQJQFBP-MOENNCHZSA-N 1 0 183.339 3.343 20 0 AGADRO CCC[C@@H](C)[NH2+]C1CCCCC1 19879184 167032821 /nfs/dbraw/zinc/03/28/21/167032821.db2.gz WKOJMKMLXPKGBE-SNVBAGLBSA-N 1 0 169.312 3.097 20 0 AGADRO CCC[C@@H](C)[NH2+]C1CCCCCC1 19902572 167033995 /nfs/dbraw/zinc/03/39/95/167033995.db2.gz QLZPYANLLVPAGO-LLVKDONJSA-N 1 0 183.339 3.487 20 0 AGADRO CCC[C@@H](C)[NH2+]Cc1ccccc1C 19902542 167034518 /nfs/dbraw/zinc/03/45/18/167034518.db2.gz XCXTWICTIBGBFJ-GFCCVEGCSA-N 1 0 191.318 3.273 20 0 AGADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccco1 19902834 167034521 /nfs/dbraw/zinc/03/45/21/167034521.db2.gz FUHDODAMXCSGAQ-ZJUUUORDSA-N 1 0 181.279 3.119 20 0 AGADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 19902868 167034849 /nfs/dbraw/zinc/03/48/49/167034849.db2.gz PLUQEUSBSZYZQN-MWLCHTKSSA-N 1 0 195.306 3.427 20 0 AGADRO CCC[C@@H](C)[NH2+]CCc1ccccc1 19920029 167034885 /nfs/dbraw/zinc/03/48/85/167034885.db2.gz CTXDQRJTQRJKST-GFCCVEGCSA-N 1 0 191.318 3.007 20 0 AGADRO CCC[C@@H](C)[NH2+]Cc1ccsc1 19902637 167034902 /nfs/dbraw/zinc/03/49/02/167034902.db2.gz GUVNBESJYFDUBF-SECBINFHSA-N 1 0 183.320 3.026 20 0 AGADRO CCC[C@@H](C)[NH2+]Cc1ccc(CC)o1 51721218 167035092 /nfs/dbraw/zinc/03/50/92/167035092.db2.gz JMZMVGLRBKJXTD-SNVBAGLBSA-N 1 0 195.306 3.120 20 0 AGADRO CCC[C@@H](C)[NH2+]Cc1cccs1 19902612 167035134 /nfs/dbraw/zinc/03/51/34/167035134.db2.gz NLIKRLLCUDNIOS-SECBINFHSA-N 1 0 183.320 3.026 20 0 AGADRO CCC[C@@H](C)[NH2+]Cc1ccc(F)cc1 19944059 167035534 /nfs/dbraw/zinc/03/55/34/167035534.db2.gz IOJLZSCXVOBDBT-SNVBAGLBSA-N 1 0 195.281 3.104 20 0 AGADRO CCC[C@@H](C)[NH2+]Cc1ccccc1F 19903071 167035601 /nfs/dbraw/zinc/03/56/01/167035601.db2.gz NADCZWPLUVENOD-SNVBAGLBSA-N 1 0 195.281 3.104 20 0 AGADRO CCC[C@@H](C)[NH2+]Cc1ccc(C)cc1 19962712 167035782 /nfs/dbraw/zinc/03/57/82/167035782.db2.gz BUKAPCDTSLFJDD-GFCCVEGCSA-N 1 0 191.318 3.273 20 0 AGADRO CCC[C@@H](C)[NH2+]CCC(C)(C)C 37488791 167035866 /nfs/dbraw/zinc/03/58/66/167035866.db2.gz WGULMNBIJPPSQC-SNVBAGLBSA-N 1 0 171.328 3.201 20 0 AGADRO CCC[C@@H](C)[NH2+]Cc1cccc(C)c1 19902553 167036095 /nfs/dbraw/zinc/03/60/95/167036095.db2.gz WFOMSJMFFCDOJJ-GFCCVEGCSA-N 1 0 191.318 3.273 20 0 AGADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccco1 19902836 167036379 /nfs/dbraw/zinc/03/63/79/167036379.db2.gz FUHDODAMXCSGAQ-NXEZZACHSA-N 1 0 181.279 3.119 20 0 AGADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 19902865 167036419 /nfs/dbraw/zinc/03/64/19/167036419.db2.gz PLUQEUSBSZYZQN-KOLCDFICSA-N 1 0 195.306 3.427 20 0 AGADRO CCC[C@@H](C)[NH2+]Cc1sccc1C 19902631 167036942 /nfs/dbraw/zinc/03/69/42/167036942.db2.gz XBKAXHFNEDSXGT-SNVBAGLBSA-N 1 0 197.347 3.335 20 0 AGADRO CCC[C@@H](C)[NH2+]Cc1cccc(F)c1 19902538 167036973 /nfs/dbraw/zinc/03/69/73/167036973.db2.gz VFWVMFJYYUKIFS-SNVBAGLBSA-N 1 0 195.281 3.104 20 0 AGADRO CCC[C@@H](CC)[NH2+]C(CC)CC 50400551 167038607 /nfs/dbraw/zinc/03/86/07/167038607.db2.gz LFNGBPRBTZGEIP-LLVKDONJSA-N 1 0 171.328 3.343 20 0 AGADRO CCC[C@@H](CC)[NH2+]CC1CCCC1 50402541 167040735 /nfs/dbraw/zinc/04/07/35/167040735.db2.gz VPEKKKNEXCAJPD-GFCCVEGCSA-N 1 0 183.339 3.345 20 0 AGADRO CCC[C@@H](CC)[NH2+]C[C@H](C)CC 50401202 167040856 /nfs/dbraw/zinc/04/08/56/167040856.db2.gz GQMJUPUAVNQZFC-GHMZBOCLSA-N 1 0 171.328 3.201 20 0 AGADRO CCC[C@@H](CC)[NH2+]C1CCCC1 50399999 167040861 /nfs/dbraw/zinc/04/08/61/167040861.db2.gz HKGAHGHRTZNBHF-SNVBAGLBSA-N 1 0 169.312 3.097 20 0 AGADRO CCC[C@@H](CC)[NH2+][C@@H](C)C(C)C 50400408 167041219 /nfs/dbraw/zinc/04/12/19/167041219.db2.gz OUHXIVINUSZQOT-WDEREUQCSA-N 1 0 171.328 3.199 20 0 AGADRO CCC[C@@H](CC)[NH2+]Cc1cccs1 50400060 167041320 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CCC(CC)[NH2+]CC1CCCCC1 19883795 343063890 /nfs/dbraw/zinc/06/38/90/343063890.db2.gz COBAGDCBRNIEMJ-UHFFFAOYSA-N 1 0 183.339 3.345 20 0 AGADRO CCC(CC)[NH2+]Cc1ccsc1 19883792 343063896 /nfs/dbraw/zinc/06/38/96/343063896.db2.gz MYCYDLYVAKOVEB-UHFFFAOYSA-N 1 0 183.320 3.026 20 0 AGADRO CCC(CC)C[NH2+]Cc1ccccc1 19899460 343063912 /nfs/dbraw/zinc/06/39/12/343063912.db2.gz MICNOECTAMGMOC-UHFFFAOYSA-N 1 0 191.318 3.212 20 0 AGADRO CCCC[NH2+][C@@H](C)c1ccc(C)cc1 19906963 343064005 /nfs/dbraw/zinc/06/40/05/343064005.db2.gz NSBHIEFRRHXBQM-LBPRGKRZSA-N 1 0 191.318 3.446 20 0 AGADRO CCCC[NH2+]C1[C@H](C)CCC[C@H]1C 19906941 343064014 /nfs/dbraw/zinc/06/40/14/343064014.db2.gz HVYLXHZTUIHGNU-GHMZBOCLSA-N 1 0 183.339 3.201 20 0 AGADRO Cc1cccc(C[NH2+]CCC(C)C)c1 19911834 343064042 /nfs/dbraw/zinc/06/40/42/343064042.db2.gz XSMADXJTUGNMNY-UHFFFAOYSA-N 1 0 191.318 3.131 20 0 AGADRO CCCC[NH2+]C1[C@@H](C)CCC[C@@H]1C 19906939 343064047 /nfs/dbraw/zinc/06/40/47/343064047.db2.gz HVYLXHZTUIHGNU-QWRGUYRKSA-N 1 0 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/nfs/dbraw/zinc/34/79/65/409347965.db2.gz KCLZROWDRSRMNW-PWSUYJOCSA-N 1 0 193.334 3.097 20 0 AGADRO C[N@H+](Cc1cccs1)C1CCCC1 41392521 409348889 /nfs/dbraw/zinc/34/88/89/409348889.db2.gz TWYKAIQQVJVPSP-UHFFFAOYSA-N 1 0 195.331 3.123 20 0 AGADRO CC1(C)CC([NH2+]C2(C3CCC3)CC2)C1 652272226 409349255 /nfs/dbraw/zinc/34/92/55/409349255.db2.gz DUFOWLCERDXHTN-UHFFFAOYSA-N 1 0 193.334 3.097 20 0 AGADRO CC[C@@H](C)[NH2+][C@@H]1C[C@H]1CC(C)(C)C 652241619 409349191 /nfs/dbraw/zinc/34/91/91/409349191.db2.gz RKGVOGBEFSIVPQ-OUAUKWLOSA-N 1 0 183.339 3.199 20 0 AGADRO CC[C@@H]([NH2+]C1(C2CCC2)CC1)C1CC1 652272578 409349572 /nfs/dbraw/zinc/34/95/72/409349572.db2.gz QBBGAHWZHFBWKP-GFCCVEGCSA-N 1 0 193.334 3.097 20 0 AGADRO C[C@H]1CCC[C@@H]1[NH2+]C1(C2CCC2)CC1 652271322 409349620 /nfs/dbraw/zinc/34/96/20/409349620.db2.gz IPMIUDDWKVCUFC-JQWIXIFHSA-N 1 0 193.334 3.097 20 0 AGADRO CC1(C)CC[C@H]1[NH2+]C1(C2CCC2)CC1 652273179 409349651 /nfs/dbraw/zinc/34/96/51/409349651.db2.gz FJVHCGNUUNJGHR-LLVKDONJSA-N 1 0 193.334 3.097 20 0 AGADRO CCC1([NH2+][C@H]2CCCCC[C@@H]2C)CC1 652204349 409349706 /nfs/dbraw/zinc/34/97/06/409349706.db2.gz OSAKTLCYXBHKAD-RYUDHWBXSA-N 1 0 195.350 3.487 20 0 AGADRO CC[C@H]1CC[C@@H]1[NH2+]C1(C2CCC2)CC1 652273338 409349726 /nfs/dbraw/zinc/34/97/26/409349726.db2.gz KNDGZZDUCVHHRV-JQWIXIFHSA-N 1 0 193.334 3.097 20 0 AGADRO CC[C@H](C)[C@H](C)[NH2+]C1(C2CCC2)CC1 652271709 409349745 /nfs/dbraw/zinc/34/97/45/409349745.db2.gz VATKVLYXPBGABG-QWRGUYRKSA-N 1 0 195.350 3.343 20 0 AGADRO C1CCC([NH2+]C2(C3CCC3)CC2)CC1 652271344 409349793 /nfs/dbraw/zinc/34/97/93/409349793.db2.gz JIPNTRPJVVXLFW-UHFFFAOYSA-N 1 0 193.334 3.241 20 0 AGADRO CC[C@@H]1CC[C@H]1[NH2+]C1(C2CCC2)CC1 652273340 409349940 /nfs/dbraw/zinc/34/99/40/409349940.db2.gz KNDGZZDUCVHHRV-ZYHUDNBSSA-N 1 0 193.334 3.097 20 0 AGADRO CC1(C)CC[C@@H]1[NH2+]C1(C2CCC2)CC1 652273180 409349953 /nfs/dbraw/zinc/34/99/53/409349953.db2.gz FJVHCGNUUNJGHR-NSHDSACASA-N 1 0 193.334 3.097 20 0 AGADRO CC[C@H]1CC[C@H]1[NH2+]C1(C2CCC2)CC1 652273337 409350115 /nfs/dbraw/zinc/35/01/15/409350115.db2.gz KNDGZZDUCVHHRV-CMPLNLGQSA-N 1 0 193.334 3.097 20 0 AGADRO C[C@H](CC1CC1)[NH2+]C1(C2CCC2)CC1 652272245 409350134 /nfs/dbraw/zinc/35/01/34/409350134.db2.gz FLDSZKFMTSXUQG-SNVBAGLBSA-N 1 0 193.334 3.097 20 0 AGADRO CC[C@@H](C)[C@H](C)[NH2+]C1(C2CCC2)CC1 652271708 409350412 /nfs/dbraw/zinc/35/04/12/409350412.db2.gz VATKVLYXPBGABG-MNOVXSKESA-N 1 0 195.350 3.343 20 0 AGADRO CCC1([NH2+][C@H]2CCCCC[C@H]2C)CC1 652204347 409350453 /nfs/dbraw/zinc/35/04/53/409350453.db2.gz OSAKTLCYXBHKAD-NEPJUHHUSA-N 1 0 195.350 3.487 20 0 AGADRO CC[C@H](C)[NH2+][C@@H]1C[C@H]1CC(C)(C)C 652241618 409350648 /nfs/dbraw/zinc/35/06/48/409350648.db2.gz RKGVOGBEFSIVPQ-GARJFASQSA-N 1 0 183.339 3.199 20 0 AGADRO F[C@@H]1CCC[N@H+](CC2CCCCC2)C1 652076900 409350713 /nfs/dbraw/zinc/35/07/13/409350713.db2.gz DDQSTWOZXPKYKA-GFCCVEGCSA-N 1 0 199.313 3.001 20 0 AGADRO CCC[C@H](CC)[NH2+]C1(C2CCC2)CC1 652272521 409350743 /nfs/dbraw/zinc/35/07/43/409350743.db2.gz OKWJCDRWJGEVJL-LBPRGKRZSA-N 1 0 195.350 3.487 20 0 AGADRO CC[C@H]([NH2+]C1(C2CCC2)CC1)C1CC1 652272579 409350813 /nfs/dbraw/zinc/35/08/13/409350813.db2.gz QBBGAHWZHFBWKP-LBPRGKRZSA-N 1 0 193.334 3.097 20 0 AGADRO CCCC[C@@H](C)[NH2+]C1(C2CCC2)CC1 652271733 409350830 /nfs/dbraw/zinc/35/08/30/409350830.db2.gz VYXOCCGGFILCBA-LLVKDONJSA-N 1 0 195.350 3.487 20 0 AGADRO C[C@@H]1CCC[C@@H]1[NH2+]C1(C2CCC2)CC1 652271323 409350922 /nfs/dbraw/zinc/35/09/22/409350922.db2.gz IPMIUDDWKVCUFC-PWSUYJOCSA-N 1 0 193.334 3.097 20 0 AGADRO CCC1([NH2+][C@@H]2CCCCC[C@@H]2C)CC1 652204348 409351008 /nfs/dbraw/zinc/35/10/08/409351008.db2.gz OSAKTLCYXBHKAD-NWDGAFQWSA-N 1 0 195.350 3.487 20 0 AGADRO F[C@H]1CCC[N@H+](CC2CCCCC2)C1 652076901 409351029 /nfs/dbraw/zinc/35/10/29/409351029.db2.gz DDQSTWOZXPKYKA-LBPRGKRZSA-N 1 0 199.313 3.001 20 0 AGADRO CCCC[C@H](C)[NH2+]C1(C2CCC2)CC1 652271734 409351051 /nfs/dbraw/zinc/35/10/51/409351051.db2.gz VYXOCCGGFILCBA-NSHDSACASA-N 1 0 195.350 3.487 20 0 AGADRO C[C@@H]1CCC[C@H]1[NH2+]C1(C2CCC2)CC1 652271324 409351114 /nfs/dbraw/zinc/35/11/14/409351114.db2.gz IPMIUDDWKVCUFC-ZYHUDNBSSA-N 1 0 193.334 3.097 20 0 AGADRO CCC[C@@H](CC)[NH2+]C1(C2CCC2)CC1 652272520 409351119 /nfs/dbraw/zinc/35/11/19/409351119.db2.gz OKWJCDRWJGEVJL-GFCCVEGCSA-N 1 0 195.350 3.487 20 0 AGADRO CC[C@@H]1CC[C@@H]1[NH2+]C1(C2CCC2)CC1 652273339 409351140 /nfs/dbraw/zinc/35/11/40/409351140.db2.gz KNDGZZDUCVHHRV-PWSUYJOCSA-N 1 0 193.334 3.097 20 0 AGADRO CC[C@@H](C)[C@@H](C)[NH2+]C1(C2CCC2)CC1 652271707 409351187 /nfs/dbraw/zinc/35/11/87/409351187.db2.gz VATKVLYXPBGABG-GHMZBOCLSA-N 1 0 195.350 3.343 20 0 AGADRO CCC1([NH2+][C@@H]2CCCCC[C@H]2C)CC1 652204350 409351236 /nfs/dbraw/zinc/35/12/36/409351236.db2.gz OSAKTLCYXBHKAD-VXGBXAGGSA-N 1 0 195.350 3.487 20 0 AGADRO C[C@@H](CC1CC1)[NH2+]C1(C2CCC2)CC1 652272244 409351264 /nfs/dbraw/zinc/35/12/64/409351264.db2.gz FLDSZKFMTSXUQG-JTQLQIEISA-N 1 0 193.334 3.097 20 0 AGADRO CC[C@H](C)[C@@H](C)[NH2+]C1(C2CCC2)CC1 652271710 409351270 /nfs/dbraw/zinc/35/12/70/409351270.db2.gz VATKVLYXPBGABG-WDEREUQCSA-N 1 0 195.350 3.343 20 0 AGADRO C[C@H]1CCC[C@H]1[NH2+]C1(C2CCC2)CC1 652271321 409351287 /nfs/dbraw/zinc/35/12/87/409351287.db2.gz IPMIUDDWKVCUFC-CMPLNLGQSA-N 1 0 193.334 3.097 20 0 AGADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C1CC1 42856473 409351943 /nfs/dbraw/zinc/35/19/43/409351943.db2.gz YRBUBKSYWLJRHC-MDZLAQPJSA-N 1 0 195.350 3.201 20 0 AGADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C1CC1 42856470 409352364 /nfs/dbraw/zinc/35/23/64/409352364.db2.gz YRBUBKSYWLJRHC-GMXVVIOVSA-N 1 0 195.350 3.201 20 0 AGADRO CC[C@@H]([NH2+]C1CC2(CCC2)C1)C1CC1 652326824 409352621 /nfs/dbraw/zinc/35/26/21/409352621.db2.gz NRBLPJDTKFICLI-GFCCVEGCSA-N 1 0 193.334 3.097 20 0 AGADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C1CC1 42856474 409353290 /nfs/dbraw/zinc/35/32/90/409353290.db2.gz YRBUBKSYWLJRHC-GVXVVHGQSA-N 1 0 195.350 3.201 20 0 AGADRO CC[C@H]([NH2+]C1CC2(CCC2)C1)C1CC1 652326825 409353586 /nfs/dbraw/zinc/35/35/86/409353586.db2.gz NRBLPJDTKFICLI-LBPRGKRZSA-N 1 0 193.334 3.097 20 0 AGADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C1CC1 42856467 409354106 /nfs/dbraw/zinc/35/41/06/409354106.db2.gz YRBUBKSYWLJRHC-NTZNESFSSA-N 1 0 195.350 3.201 20 0 AGADRO CC(C)(C)CC[NH2+]C[C@H]1CC=CCC1 44317541 409356056 /nfs/dbraw/zinc/35/60/56/409356056.db2.gz AOSHMFPOAOWJPR-LBPRGKRZSA-N 1 0 195.350 3.369 20 0 AGADRO CC(C)(C)CC[NH2+]C[C@@H]1CC=CCC1 44317542 409357823 /nfs/dbraw/zinc/35/78/23/409357823.db2.gz AOSHMFPOAOWJPR-GFCCVEGCSA-N 1 0 195.350 3.369 20 0 AGADRO Cc1ccc(C[NH2+]CCC(C)(C)C)o1 47888196 409366202 /nfs/dbraw/zinc/36/62/02/409366202.db2.gz MYKMVQFEXPYDQN-UHFFFAOYSA-N 1 0 195.306 3.114 20 0 AGADRO C[C@H]([NH2+][C@H](C)C1CC1)c1ccsc1 50340324 409378694 /nfs/dbraw/zinc/37/86/94/409378694.db2.gz YDZJVJMPSLWREI-BDAKNGLRSA-N 1 0 195.331 3.197 20 0 AGADRO CCC[N@H+](CC=C(C)C)C(C)C 653797283 409379156 /nfs/dbraw/zinc/37/91/56/409379156.db2.gz ZMGVISLTMDOSGM-UHFFFAOYSA-N 1 0 169.312 3.073 20 0 AGADRO CCC[N@H+](C[C@H](C)CC)C(C)C 653797579 409379324 /nfs/dbraw/zinc/37/93/24/409379324.db2.gz FSOPSZOYVXUIKK-LLVKDONJSA-N 1 0 171.328 3.153 20 0 AGADRO CCC[N@H+](CC1(C)CCC1)C(C)C 653798743 409379892 /nfs/dbraw/zinc/37/98/92/409379892.db2.gz PZPUUJKSOVETPT-UHFFFAOYSA-N 1 0 183.339 3.297 20 0 AGADRO CCC[N@H+](CCC(F)(F)F)C(C)C 653797710 409380311 /nfs/dbraw/zinc/38/03/11/409380311.db2.gz YWSRMTBGJZIOBP-UHFFFAOYSA-N 1 0 197.244 3.059 20 0 AGADRO C[C@H]([NH2+][C@H](C)c1ccsc1)C1CC1 50340321 409380651 /nfs/dbraw/zinc/38/06/51/409380651.db2.gz YDZJVJMPSLWREI-DTWKUNHWSA-N 1 0 195.331 3.197 20 0 AGADRO CCC[N@H+](C[C@@H](C)CC)C(C)C 653797581 409380684 /nfs/dbraw/zinc/38/06/84/409380684.db2.gz FSOPSZOYVXUIKK-NSHDSACASA-N 1 0 171.328 3.153 20 0 AGADRO CCC[N@H+](CC1=CCCC1)C(C)C 653799109 409380778 /nfs/dbraw/zinc/38/07/78/409380778.db2.gz MHIJCGWQKQWKFM-UHFFFAOYSA-N 1 0 181.323 3.217 20 0 AGADRO CC(C)[NH2+][C@H](c1cccs1)C1CC1 51100056 409382014 /nfs/dbraw/zinc/38/20/14/409382014.db2.gz XTNKMWWDTUGQIM-NSHDSACASA-N 1 0 195.331 3.197 20 0 AGADRO CCC[NH2+]Cc1cccc(C2CC2)c1 52886510 409383450 /nfs/dbraw/zinc/38/34/50/409383450.db2.gz NJBMGAGPLBCCMI-UHFFFAOYSA-N 1 0 189.302 3.064 20 0 AGADRO CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 52886515 409383648 /nfs/dbraw/zinc/38/36/48/409383648.db2.gz VBVALGIAYHEVBV-JTQLQIEISA-N 1 0 189.302 3.235 20 0 AGADRO CC[NH2+][C@H](C)c1cccc(C2CC2)c1 52886516 409384834 /nfs/dbraw/zinc/38/48/34/409384834.db2.gz VBVALGIAYHEVBV-SNVBAGLBSA-N 1 0 189.302 3.235 20 0 AGADRO CC(C)[NH2+]Cc1cccc(C2CC2)c1 52886511 409384852 /nfs/dbraw/zinc/38/48/52/409384852.db2.gz JLSVWSGRKHCXSB-UHFFFAOYSA-N 1 0 189.302 3.062 20 0 AGADRO C[C@H]([NH2+]C1CCCCC1)C1CCCC1 54077245 409388117 /nfs/dbraw/zinc/38/81/17/409388117.db2.gz HNOJRFWIXDOTSD-NSHDSACASA-N 1 0 195.350 3.487 20 0 AGADRO CCCCC[NH2+][C@@H](C)C1CCCC1 54077280 409389643 /nfs/dbraw/zinc/38/96/43/409389643.db2.gz HWLMOKMECJCVDX-NSHDSACASA-N 1 0 183.339 3.345 20 0 AGADRO CCC[C@H](C)[NH2+][C@@H](C)C1CCCC1 54077289 409389757 /nfs/dbraw/zinc/38/97/57/409389757.db2.gz UGTLFOIRMSSOQM-QWRGUYRKSA-N 1 0 183.339 3.343 20 0 AGADRO CC(C)CC[NH2+][C@H](C)C1CCCC1 54077355 409389989 /nfs/dbraw/zinc/38/99/89/409389989.db2.gz NOYWZFOLVNXGGK-LLVKDONJSA-N 1 0 183.339 3.201 20 0 AGADRO CC(C)CC[NH2+][C@@H](C)C1CCCC1 54077354 409390194 /nfs/dbraw/zinc/39/01/94/409390194.db2.gz NOYWZFOLVNXGGK-NSHDSACASA-N 1 0 183.339 3.201 20 0 AGADRO CCC[C@@H](C)[NH2+][C@H](C)C1CCCC1 54077290 409390310 /nfs/dbraw/zinc/39/03/10/409390310.db2.gz UGTLFOIRMSSOQM-GHMZBOCLSA-N 1 0 183.339 3.343 20 0 AGADRO CCCCC[NH2+][C@H](C)C1CCCC1 54077281 409390608 /nfs/dbraw/zinc/39/06/08/409390608.db2.gz HWLMOKMECJCVDX-LLVKDONJSA-N 1 0 183.339 3.345 20 0 AGADRO CCC[C@H](C)[NH2+][C@H](C)C1CCCC1 54077291 409390812 /nfs/dbraw/zinc/39/08/12/409390812.db2.gz UGTLFOIRMSSOQM-WDEREUQCSA-N 1 0 183.339 3.343 20 0 AGADRO C[C@@H]([NH2+]C1CCCC1)C1CCCC1 54077260 409390848 /nfs/dbraw/zinc/39/08/48/409390848.db2.gz OXCQYJMEKQPZEC-SNVBAGLBSA-N 1 0 181.323 3.097 20 0 AGADRO CCC[C@@H](C)[NH2+][C@@H](C)C1CCCC1 54077288 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/nfs/dbraw/zinc/29/57/45/573295745.db2.gz JRILTBYOZDTIRL-UHFFFAOYSA-N 1 0 195.331 3.028 20 0 AGADRO CC(C)C[C@H](C)C[NH2+][C@H]1CCC1(C)C 308561776 573357434 /nfs/dbraw/zinc/35/74/34/573357434.db2.gz XWSRLALPFZSPJA-RYUDHWBXSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)C[C@@H](C)C[NH2+][C@H]1CCC1(C)C 308561774 573357701 /nfs/dbraw/zinc/35/77/01/573357701.db2.gz XWSRLALPFZSPJA-NEPJUHHUSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCC1(C)C 308561777 573357713 /nfs/dbraw/zinc/35/77/13/573357713.db2.gz XWSRLALPFZSPJA-VXGBXAGGSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)C[C@H](C)C[NH2+][C@@H]1CCC1(C)C 308561775 573357936 /nfs/dbraw/zinc/35/79/36/573357936.db2.gz XWSRLALPFZSPJA-NWDGAFQWSA-N 1 0 197.366 3.447 20 0 AGADRO CCCCCC[N@H+](CC)C1CCC1 308368660 573366765 /nfs/dbraw/zinc/36/67/65/573366765.db2.gz PHLSDEHLNJWYHG-UHFFFAOYSA-N 1 0 183.339 3.441 20 0 AGADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc[nH]1 308576189 573406771 /nfs/dbraw/zinc/40/67/71/573406771.db2.gz DNUSKELMKANUAA-DCAQKATOSA-N 1 0 194.322 3.100 20 0 AGADRO CCC(CC)C[NH2+]C12CCC(CC1)C2 308579772 573416854 /nfs/dbraw/zinc/41/68/54/573416854.db2.gz GARMKAHSVGUGBV-UHFFFAOYSA-N 1 0 195.350 3.345 20 0 AGADRO C[C@H](CC1CC1)[NH2+]C[C@H](C)C(C)(C)C 133704101 573420533 /nfs/dbraw/zinc/42/05/33/573420533.db2.gz HJDVSRGGTNRUIR-WDEREUQCSA-N 1 0 197.366 3.447 20 0 AGADRO C[C@H](C[NH2+][C@H](C)CC1CC1)C(C)(C)C 133703684 573423970 /nfs/dbraw/zinc/42/39/70/573423970.db2.gz HJDVSRGGTNRUIR-GHMZBOCLSA-N 1 0 197.366 3.447 20 0 AGADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)C(C)(C)C 308584255 573468829 /nfs/dbraw/zinc/46/88/29/573468829.db2.gz HSIZQKHKOZBNKD-UTUOFQBUSA-N 1 0 197.366 3.447 20 0 AGADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)C(C)(C)C 308584249 573469088 /nfs/dbraw/zinc/46/90/88/573469088.db2.gz HSIZQKHKOZBNKD-IJLUTSLNSA-N 1 0 197.366 3.447 20 0 AGADRO CC(C)(C)C[NH2+]CCC(C)(C)C1CC1 392927222 573474161 /nfs/dbraw/zinc/47/41/61/573474161.db2.gz RCXZUMBBJCDMOB-UHFFFAOYSA-N 1 0 197.366 3.448 20 0 AGADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC1CC1 308595672 573479510 /nfs/dbraw/zinc/47/95/10/573479510.db2.gz MIFCMUAHNMELAY-STQMWFEESA-N 1 0 195.350 3.345 20 0 AGADRO CC1=CC[C@H]([NH2+]CCC2CCC2)CC1 308599894 573485695 /nfs/dbraw/zinc/48/56/95/573485695.db2.gz AJJCXAVGLKUZSE-ZDUSSCGKSA-N 1 0 193.334 3.265 20 0 AGADRO CC1=CC[C@@H]([NH2+]CCC2CCC2)CC1 308599893 573485864 /nfs/dbraw/zinc/48/58/64/573485864.db2.gz AJJCXAVGLKUZSE-CYBMUJFWSA-N 1 0 193.334 3.265 20 0 AGADRO C1CCCC([NH2+]CCC2CCC2)CC1 130355762 573550104 /nfs/dbraw/zinc/55/01/04/573550104.db2.gz OYACDSVNPIFQOI-UHFFFAOYSA-N 1 0 195.350 3.489 20 0 AGADRO C[C@@H]1CCC[C@@H]([NH2+]CCC2CCC2)C1 130356590 573554934 /nfs/dbraw/zinc/55/49/34/573554934.db2.gz HMQGIDJDAZEAPL-DGCLKSJQSA-N 1 0 195.350 3.345 20 0 AGADRO [NH3+]CC[C@H]1CCCC12CCCCC2 107414455 573587538 /nfs/dbraw/zinc/58/75/38/573587538.db2.gz UAOLWOKVHMIKCG-LLVKDONJSA-N 1 0 181.323 3.086 20 0 AGADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]1CC 393587911 573663742 /nfs/dbraw/zinc/66/37/42/573663742.db2.gz XNJCXUFSOSSVMV-NNYUYHANSA-N 1 0 183.339 3.199 20 0 AGADRO Cl/C=C\C[NH+](C1CCC1)C1CCC1 308420052 573682258 /nfs/dbraw/zinc/68/22/58/573682258.db2.gz SHBWHWHEQYMCGU-BAQGIRSFSA-N 1 0 199.725 3.146 20 0 AGADRO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](C)C1 393588709 573686647 /nfs/dbraw/zinc/68/66/47/573686647.db2.gz HPQZSCONTSGVKT-RYUDHWBXSA-N 1 0 183.339 3.010 20 0 AGADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](C)C1 393588703 573686740 /nfs/dbraw/zinc/68/67/40/573686740.db2.gz HPQZSCONTSGVKT-NWDGAFQWSA-N 1 0 183.339 3.010 20 0 AGADRO C[C@H]1C[C@@H](C)C[C@H](c2ccccc2)[NH2+]1 238477764 573706644 /nfs/dbraw/zinc/70/66/44/573706644.db2.gz ALFLCFVDQGRPAR-NTZNESFSSA-N 1 0 189.302 3.136 20 0 AGADRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCC1CC1 308711038 573768283 /nfs/dbraw/zinc/76/82/83/573768283.db2.gz ODJDHFBUSZPLSQ-WCQYABFASA-N 1 0 195.350 3.345 20 0 AGADRO CCCC[N@@H+](C1CC1)[C@@H](C)C(C)C 308437397 573781963 /nfs/dbraw/zinc/78/19/63/573781963.db2.gz XHWHVXJCDZVYGW-NSHDSACASA-N 1 0 183.339 3.295 20 0 AGADRO CCC[C@H](C)Nc1ccc(C)nc1C 87151573 573804493 /nfs/dbraw/zinc/80/44/93/573804493.db2.gz UBARCSJDFZPOOA-VIFPVBQESA-N 1 0 192.306 3.299 20 0 AGADRO CC1(C)CC[NH2+][C@H](c2ccccc2)C1 76633803 573907237 /nfs/dbraw/zinc/90/72/37/573907237.db2.gz UPIRTXUETRPAAX-LBPRGKRZSA-N 1 0 189.302 3.137 20 0 AGADRO Cc1cc(C[NH2+]CCC(C)C)c(C)o1 127569050 573914075 /nfs/dbraw/zinc/91/40/75/573914075.db2.gz SDJPLBYKGNAGEI-UHFFFAOYSA-N 1 0 195.306 3.032 20 0 AGADRO CCCCCC[NH2+]C(C1CC1)C1CC1 20520485 520092900 /nfs/dbraw/zinc/09/29/00/520092900.db2.gz YSDXIIAAHDVVOO-UHFFFAOYSA-N 1 0 195.350 3.345 20 0 AGADRO Cl/C=C/C[N@@H+]1CCC[C@@H]1C1CCC1 306540472 629657359 /nfs/dbraw/zinc/65/73/59/629657359.db2.gz RROLREMJUFYDQS-CGAJTASUSA-N 1 0 199.725 3.003 20 0 AGADRO Cl/C=C/C[N@@H+]1CCC[C@H]1C1CCC1 306540473 629659834 /nfs/dbraw/zinc/65/98/34/629659834.db2.gz RROLREMJUFYDQS-KTROKBFUSA-N 1 0 199.725 3.003 20 0 AGADRO CC(C)CC[N@@H+]1C[C@@H](C)CC1(C)C 306805746 629677439 /nfs/dbraw/zinc/67/74/39/629677439.db2.gz APBSLMRXDJUCMO-NSHDSACASA-N 1 0 183.339 3.153 20 0 AGADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C/C=C/Cl 306854962 629683207 /nfs/dbraw/zinc/68/32/07/629683207.db2.gz VJWGUHYAEUKCRM-RGGXIFFLSA-N 1 0 187.714 3.002 20 0 AGADRO C[C@H]1CC[C@@H]1[NH2+]CC1(C)CCCCC1 306407896 629697691 /nfs/dbraw/zinc/69/76/91/629697691.db2.gz ZAOOCCBSLKSRGF-RYUDHWBXSA-N 1 0 195.350 3.345 20 0 AGADRO C[C@H]1CC[C@H]1[NH2+]CC1(C)CCCCC1 306407895 629698427 /nfs/dbraw/zinc/69/84/27/629698427.db2.gz ZAOOCCBSLKSRGF-NWDGAFQWSA-N 1 0 195.350 3.345 20 0 AGADRO C[C@@H]1CC[C@H]1[NH2+]CC1(C)CCCCC1 306407897 629699624 /nfs/dbraw/zinc/69/96/24/629699624.db2.gz ZAOOCCBSLKSRGF-VXGBXAGGSA-N 1 0 195.350 3.345 20 0 AGADRO C[C@@H]1CCCC[C@@H]1[NH2+]C[Si](C)(C)C 306487701 629702338 /nfs/dbraw/zinc/70/23/38/629702338.db2.gz AQUFHRSLNYKXIR-MNOVXSKESA-N 1 0 199.414 3.032 20 0 AGADRO C[C@H]1CCCC[C@@H]1[NH2+]C[Si](C)(C)C 306487708 629703668 /nfs/dbraw/zinc/70/36/68/629703668.db2.gz AQUFHRSLNYKXIR-QWRGUYRKSA-N 1 0 199.414 3.032 20 0 AGADRO C[C@H]1CCCC[C@H]1[NH2+]C[Si](C)(C)C 306487714 629704378 /nfs/dbraw/zinc/70/43/78/629704378.db2.gz AQUFHRSLNYKXIR-WDEREUQCSA-N 1 0 199.414 3.032 20 0 AGADRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C1 306968415 629710768 /nfs/dbraw/zinc/71/07/68/629710768.db2.gz QTTNJZGPCBCVJN-WOPDTQHZSA-N 1 0 193.334 3.097 20 0 AGADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 306968414 629712238 /nfs/dbraw/zinc/71/22/38/629712238.db2.gz QTTNJZGPCBCVJN-UTUOFQBUSA-N 1 0 193.334 3.097 20 0 AGADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 306968413 629713479 /nfs/dbraw/zinc/71/34/79/629713479.db2.gz QTTNJZGPCBCVJN-IJLUTSLNSA-N 1 0 193.334 3.097 20 0 AGADRO CC[N@@H+]1CCCC[C@@H]1c1ccccc1 144154877 629729332 /nfs/dbraw/zinc/72/93/32/629729332.db2.gz BGBGVGHSEUGBTP-CYBMUJFWSA-N 1 0 189.302 3.234 20 0 AGADRO CC[N@@H+]1CCCC[C@H]1c1ccccc1 144155094 629729844 /nfs/dbraw/zinc/72/98/44/629729844.db2.gz BGBGVGHSEUGBTP-ZDUSSCGKSA-N 1 0 189.302 3.234 20 0 AGADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccoc1 307134147 629743981 /nfs/dbraw/zinc/74/39/81/629743981.db2.gz ZXFHPAARNAKPFT-MWLCHTKSSA-N 1 0 193.290 3.119 20 0 AGADRO C1CCC2(CC1)C[C@@H]2[NH2+]C1CCCC1 307137586 629745779 /nfs/dbraw/zinc/74/57/79/629745779.db2.gz XMTCGKDXARMAAS-LBPRGKRZSA-N 1 0 193.334 3.241 20 0 AGADRO CC1=CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)CC1 307518130 629772139 /nfs/dbraw/zinc/77/21/39/629772139.db2.gz YCGXPYKRBWQIGS-FRRDWIJNSA-N 1 0 193.334 3.263 20 0 AGADRO CC1=CC[C@H]([NH2+][C@H]2CC[C@H](C)C2)CC1 307518129 629772487 /nfs/dbraw/zinc/77/24/87/629772487.db2.gz YCGXPYKRBWQIGS-AVGNSLFASA-N 1 0 193.334 3.263 20 0 AGADRO CC1=CC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)CC1 307518127 629772794 /nfs/dbraw/zinc/77/27/94/629772794.db2.gz YCGXPYKRBWQIGS-AGIUHOORSA-N 1 0 193.334 3.263 20 0 AGADRO CC1=CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)CC1 307518132 629776149 /nfs/dbraw/zinc/77/61/49/629776149.db2.gz YCGXPYKRBWQIGS-RWMBFGLXSA-N 1 0 193.334 3.263 20 0 AGADRO C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC1(C)C 307606484 629791616 /nfs/dbraw/zinc/79/16/16/629791616.db2.gz AGUZDGZSOVKJFE-IJLUTSLNSA-N 1 0 195.350 3.201 20 0 AGADRO C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC1(C)C 307606479 629791910 /nfs/dbraw/zinc/79/19/10/629791910.db2.gz AGUZDGZSOVKJFE-GRYCIOLGSA-N 1 0 195.350 3.201 20 0 AGADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC1(C)C 307606489 629792383 /nfs/dbraw/zinc/79/23/83/629792383.db2.gz AGUZDGZSOVKJFE-UTUOFQBUSA-N 1 0 195.350 3.201 20 0 AGADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC1(C)C 307606493 629793297 /nfs/dbraw/zinc/79/32/97/629793297.db2.gz AGUZDGZSOVKJFE-WOPDTQHZSA-N 1 0 195.350 3.201 20 0 AGADRO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+][C@H]1CC[C@@H](C)C1 307665443 629802893 /nfs/dbraw/zinc/80/28/93/629802893.db2.gz ARPUNBGQYAHARW-BNDIWNMDSA-N 1 0 195.350 3.199 20 0 AGADRO C[C@@H]1CC[C@H]([NH2+]C2[C@H](C)CC[C@H]2C)C1 307665447 629802995 /nfs/dbraw/zinc/80/29/95/629802995.db2.gz ARPUNBGQYAHARW-KKOKHZNYSA-N 1 0 195.350 3.199 20 0 AGADRO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+][C@@H]1CC[C@@H](C)C1 307665451 629803280 /nfs/dbraw/zinc/80/32/80/629803280.db2.gz ARPUNBGQYAHARW-LBELIVKGSA-N 1 0 195.350 3.199 20 0 AGADRO C[C@H]1CC[C@H](C)C1[NH2+][C@H]1CC[C@@H](C)C1 307665455 629803640 /nfs/dbraw/zinc/80/36/40/629803640.db2.gz ARPUNBGQYAHARW-RHYQMDGZSA-N 1 0 195.350 3.199 20 0 AGADRO Cl/C=C/C[NH+]1C2CCCC1CCC2 307712252 629806202 /nfs/dbraw/zinc/80/62/02/629806202.db2.gz WLBOQWXJVFVVQH-FPYGCLRLSA-N 1 0 199.725 3.146 20 0 AGADRO CC[C@H](C)[N@@H+]1CCC2(CCCC2)C1 307747963 629811631 /nfs/dbraw/zinc/81/16/31/629811631.db2.gz ARVQLIYRXCRPMC-NSHDSACASA-N 1 0 181.323 3.051 20 0 AGADRO CCC[NH+]1CCC2(CCCC2)CC1 307744413 629814391 /nfs/dbraw/zinc/81/43/91/629814391.db2.gz OOMGNWLVNKNQFB-UHFFFAOYSA-N 1 0 181.323 3.053 20 0 AGADRO CCC[NH2+][C@@H](CC)Cc1ccccc1 1533059 629816805 /nfs/dbraw/zinc/81/68/05/629816805.db2.gz IQNDVEUJIFBSFD-ZDUSSCGKSA-N 1 0 191.318 3.007 20 0 AGADRO CCC(CC)[N@H+](CC)C/C=C/Cl 307976181 629826870 /nfs/dbraw/zinc/82/68/70/629826870.db2.gz LECOWNRJNKNNIN-BQYQJAHWSA-N 1 0 189.730 3.249 20 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