smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)C[NH2+]CCC[NH+]1CCCC1 20129197 537780285 /nfs/dbraw/zinc/78/02/85/537780285.db2.gz PGBGZLFFRCVBDF-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CCC(CC)[NH2+]CCC[NH+]1CCCC1 20129023 537780844 /nfs/dbraw/zinc/78/08/44/537780844.db2.gz RMNKDJMGQMYFOF-UHFFFAOYSA-N 2 0 198.354 2.251 20 0 AEADRP CC(C)[C@H](C)[NH2+]CCC[NH+]1CCCC1 20129046 537780874 /nfs/dbraw/zinc/78/08/74/537780874.db2.gz GNVOJFSVOOUPSP-LBPRGKRZSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 20129145 537780885 /nfs/dbraw/zinc/78/08/85/537780885.db2.gz NFGJSCKBYQDNLI-GFCCVEGCSA-N 2 0 198.354 2.251 20 0 AEADRP CC(C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 20200837 537780950 /nfs/dbraw/zinc/78/09/50/537780950.db2.gz RUCPWCXBECQBIU-GFCCVEGCSA-N 2 0 198.354 2.105 20 0 AEADRP CC1CC[NH+](CCC[NH2+]C(C)C)CC1 20146303 537782123 /nfs/dbraw/zinc/78/21/23/537782123.db2.gz UHEMTMGLQXEDLK-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP CC(C)[C@@H](C)[NH2+]CCC[NH+]1CCCC1 20129045 537782408 /nfs/dbraw/zinc/78/24/08/537782408.db2.gz GNVOJFSVOOUPSP-GFCCVEGCSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@@H](C)C[NH2+]CCC[NH+]1CCCC1 20129196 537783059 /nfs/dbraw/zinc/78/30/59/537783059.db2.gz PGBGZLFFRCVBDF-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP CC(C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 20200836 537783272 /nfs/dbraw/zinc/78/32/72/537783272.db2.gz RUCPWCXBECQBIU-LBPRGKRZSA-N 2 0 198.354 2.105 20 0 AEADRP CCC[C@H](C)[NH2+]CCC[NH+]1CCCC1 20129146 537783448 /nfs/dbraw/zinc/78/34/48/537783448.db2.gz NFGJSCKBYQDNLI-LBPRGKRZSA-N 2 0 198.354 2.251 20 0 AEADRP [NH3+]CCC[N@@H+](C1CCCCC1)C1CC1 34960464 537796664 /nfs/dbraw/zinc/79/66/64/537796664.db2.gz DPTLSHKFINDQFR-UHFFFAOYSA-N 2 0 196.338 2.132 20 0 AEADRP CCCC[C@H](C)[NH2+]CCC[NH+](C)C 37213660 537809494 /nfs/dbraw/zinc/80/94/94/537809494.db2.gz VJESRMSOFJINOO-NSHDSACASA-N 2 0 186.343 2.106 20 0 AEADRP CC[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 37208689 537810419 /nfs/dbraw/zinc/81/04/19/537810419.db2.gz NWMWGFNGKCIYSA-QWRGUYRKSA-N 2 0 198.354 2.105 20 0 AEADRP CCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 37209308 537812121 /nfs/dbraw/zinc/81/21/21/537812121.db2.gz IXTWCCFZSNMJNW-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 37208691 537812153 /nfs/dbraw/zinc/81/21/53/537812153.db2.gz NWMWGFNGKCIYSA-WDEREUQCSA-N 2 0 198.354 2.105 20 0 AEADRP CCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 37209309 537812366 /nfs/dbraw/zinc/81/23/66/537812366.db2.gz IXTWCCFZSNMJNW-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[C@@H](C)[NH2+]CCC[NH+](C)C 37213659 537812810 /nfs/dbraw/zinc/81/28/10/537812810.db2.gz VJESRMSOFJINOO-LLVKDONJSA-N 2 0 186.343 2.106 20 0 AEADRP CCC[NH+](CCC)CCC[NH2+]C1CC1 37478495 537814847 /nfs/dbraw/zinc/81/48/47/537814847.db2.gz IHTRMPNVTMMKIG-UHFFFAOYSA-N 2 0 198.354 2.251 20 0 AEADRP CC(C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 38041832 537822857 /nfs/dbraw/zinc/82/28/57/537822857.db2.gz ZCUNBQNENBPWFA-GFCCVEGCSA-N 2 0 198.354 2.106 20 0 AEADRP CC(C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 38041833 537827334 /nfs/dbraw/zinc/82/73/34/537827334.db2.gz ZCUNBQNENBPWFA-LBPRGKRZSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)C[NH2+]C1CC[NH+](CC)CC1 38097997 537829464 /nfs/dbraw/zinc/82/94/64/537829464.db2.gz DITWSJHVUXVULF-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@@H](C)C[NH2+]C1CC[NH+](CC)CC1 38097996 537831655 /nfs/dbraw/zinc/83/16/55/537831655.db2.gz DITWSJHVUXVULF-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[N@H+](C)CCC[NH+]1CCCC1 41209525 537841339 /nfs/dbraw/zinc/84/13/39/537841339.db2.gz HUMULKDMPNDLLJ-UHFFFAOYSA-N 2 0 198.354 2.204 20 0 AEADRP CCC[NH+]1CCC([NH2+]C2CCC2)CC1 44480480 537844746 /nfs/dbraw/zinc/84/47/46/537844746.db2.gz FYZIZLVXFHUWGV-UHFFFAOYSA-N 2 0 196.338 2.003 20 0 AEADRP CCC(CC)[NH2+]C[C@H]1CCC[N@H+](C)C1 44534398 537851966 /nfs/dbraw/zinc/85/19/66/537851966.db2.gz GMUIDZDJOPNVFR-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[NH2+]CC1CC[NH+](CC)CC1 44517253 537852171 /nfs/dbraw/zinc/85/21/71/537852171.db2.gz JVUZLUYZVCVZGZ-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP CCC(CC)[NH2+]CC1CC[NH+](C)CC1 44515641 537852488 /nfs/dbraw/zinc/85/24/88/537852488.db2.gz YZCQUBUJUUFDOL-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP CC(C)[NH2+]CC(C)(C)C[NH+]1CCCC1 51208065 537862477 /nfs/dbraw/zinc/86/24/77/537862477.db2.gz OGNODEOVWOZKDF-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 156086181 538014075 /nfs/dbraw/zinc/01/40/75/538014075.db2.gz OMVRAFLMQIADPO-TUAOUCFPSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 156085938 538014953 /nfs/dbraw/zinc/01/49/53/538014953.db2.gz OMVRAFLMQIADPO-QJPTWQEYSA-N 2 0 198.354 2.105 20 0 AEADRP CCC(CC)C[NH2+]CCC[NH2+]C1CC1 163428173 538082968 /nfs/dbraw/zinc/08/29/68/538082968.db2.gz BBPMFORNPHVLSN-UHFFFAOYSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)(C)CC[NH2+]CCC[NH2+]C1CC1 163428057 538084263 /nfs/dbraw/zinc/08/42/63/538084263.db2.gz VYQDSINDRZIBAC-UHFFFAOYSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)C1CC1 165255292 538148986 /nfs/dbraw/zinc/14/89/86/538148986.db2.gz VARFGHLFXLFUCL-LLVKDONJSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)C1CC1 165255155 538151774 /nfs/dbraw/zinc/15/17/74/538151774.db2.gz VARFGHLFXLFUCL-NSHDSACASA-N 2 0 198.354 2.105 20 0 AEADRP CCCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C 166216082 538158723 /nfs/dbraw/zinc/15/87/23/538158723.db2.gz HRIWEDQQFBGEKZ-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C 166215968 538158894 /nfs/dbraw/zinc/15/88/94/538158894.db2.gz HRIWEDQQFBGEKZ-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[NH2+]CCC[N@H+](C)C(C)C 166564783 538160157 /nfs/dbraw/zinc/16/01/57/538160157.db2.gz VUGDSNDYOZZMKO-NSHDSACASA-N 2 0 186.343 2.105 20 0 AEADRP CC[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C 166564674 538162710 /nfs/dbraw/zinc/16/27/10/538162710.db2.gz VUGDSNDYOZZMKO-LLVKDONJSA-N 2 0 186.343 2.105 20 0 AEADRP CC(C)[C@H](C)[NH2+]C[C@H](C)N(C)C1CC1 167359853 538167696 /nfs/dbraw/zinc/16/76/96/538167696.db2.gz CPARZCZITFATGV-QWRGUYRKSA-N 2 0 198.354 2.103 20 0 AEADRP CC(C)[C@@H](C)[NH2+]C[C@H](C)N(C)C1CC1 167359752 538167971 /nfs/dbraw/zinc/16/79/71/538167971.db2.gz CPARZCZITFATGV-WDEREUQCSA-N 2 0 198.354 2.103 20 0 AEADRP CC(C)[C@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 167359639 538170558 /nfs/dbraw/zinc/17/05/58/538170558.db2.gz CPARZCZITFATGV-MNOVXSKESA-N 2 0 198.354 2.103 20 0 AEADRP CC(C)[C@@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 167359536 538170674 /nfs/dbraw/zinc/17/06/74/538170674.db2.gz CPARZCZITFATGV-GHMZBOCLSA-N 2 0 198.354 2.103 20 0 AEADRP CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 222998696 538197050 /nfs/dbraw/zinc/19/70/50/538197050.db2.gz YHHMLTLBLNSHMP-TUAOUCFPSA-N 2 0 198.354 2.425 20 0 AEADRP CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 222997792 538197112 /nfs/dbraw/zinc/19/71/12/538197112.db2.gz VLBUCKPAQRBTMY-WOPDTQHZSA-N 2 0 198.354 2.425 20 0 AEADRP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 223016506 538197643 /nfs/dbraw/zinc/19/76/43/538197643.db2.gz IBWGGOCDMUJKPY-YUSALJHKSA-N 2 0 196.338 2.035 20 0 AEADRP CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 222998572 538197815 /nfs/dbraw/zinc/19/78/15/538197815.db2.gz YHHMLTLBLNSHMP-QJPTWQEYSA-N 2 0 198.354 2.425 20 0 AEADRP C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 223016608 538197834 /nfs/dbraw/zinc/19/78/34/538197834.db2.gz IBWGGOCDMUJKPY-JLLWLGSASA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)C 222981982 538197862 /nfs/dbraw/zinc/19/78/62/538197862.db2.gz XKNHFFDNDSKLTC-UTUOFQBUSA-N 2 0 198.354 2.281 20 0 AEADRP CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 222997682 538197983 /nfs/dbraw/zinc/19/79/83/538197983.db2.gz VLBUCKPAQRBTMY-GRYCIOLGSA-N 2 0 198.354 2.425 20 0 AEADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)C 222982109 538197998 /nfs/dbraw/zinc/19/79/98/538197998.db2.gz XKNHFFDNDSKLTC-WOPDTQHZSA-N 2 0 198.354 2.281 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 222980758 538198024 /nfs/dbraw/zinc/19/80/24/538198024.db2.gz RNXJVVHCFZJSQM-NNYUYHANSA-N 2 0 198.354 2.281 20 0 AEADRP CC1CC([NH2+]CCC[N@@H+](C)C(C)C)C1 231787348 538221389 /nfs/dbraw/zinc/22/13/89/538221389.db2.gz RKMOYKGOFLEKHO-UHFFFAOYSA-N 2 0 198.354 2.105 20 0 AEADRP CC[NH+](CC)CCC[NH2+]C1CC(C)C1 231786950 538221403 /nfs/dbraw/zinc/22/14/03/538221403.db2.gz UMRFDAANUSUXNV-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP CC(C)(C)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 232560444 538223956 /nfs/dbraw/zinc/22/39/56/538223956.db2.gz WEWFKPTUUZNWSE-LBPRGKRZSA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)CCC[N@@H+]1CC[C@](C)(C[NH3+])C1 232539855 538224287 /nfs/dbraw/zinc/22/42/87/538224287.db2.gz PKBUJDNLHWNFAM-GFCCVEGCSA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)(C)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 232560538 538224571 /nfs/dbraw/zinc/22/45/71/538224571.db2.gz WEWFKPTUUZNWSE-GFCCVEGCSA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)CCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 232539764 538225359 /nfs/dbraw/zinc/22/53/59/538225359.db2.gz PKBUJDNLHWNFAM-LBPRGKRZSA-N 2 0 198.354 2.093 20 0 AEADRP CCC(CC)C[N@@H+]1CC[C@](C)(C[NH3+])C1 232866824 538228155 /nfs/dbraw/zinc/22/81/55/538228155.db2.gz WMCCXXGXLGIBKJ-GFCCVEGCSA-N 2 0 198.354 2.093 20 0 AEADRP CCC(CC)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 232866503 538228235 /nfs/dbraw/zinc/22/82/35/538228235.db2.gz WMCCXXGXLGIBKJ-LBPRGKRZSA-N 2 0 198.354 2.093 20 0 AEADRP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 251352055 538261370 /nfs/dbraw/zinc/26/13/70/538261370.db2.gz MXXUZOCUTSFMDJ-TUAOUCFPSA-N 2 0 196.338 2.001 20 0 AEADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@H]1C 251599646 538262015 /nfs/dbraw/zinc/26/20/15/538262015.db2.gz BQUIRJRAKJHZNU-IJLUTSLNSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 251352054 538262109 /nfs/dbraw/zinc/26/21/09/538262109.db2.gz MXXUZOCUTSFMDJ-SRVKXCTJSA-N 2 0 196.338 2.001 20 0 AEADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCC[C@H]1C 251599651 538262457 /nfs/dbraw/zinc/26/24/57/538262457.db2.gz BQUIRJRAKJHZNU-UTUOFQBUSA-N 2 0 198.354 2.105 20 0 AEADRP CCCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C 252710777 538270485 /nfs/dbraw/zinc/27/04/85/538270485.db2.gz HRIWEDQQFBGEKZ-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C 252710778 538271882 /nfs/dbraw/zinc/27/18/82/538271882.db2.gz HRIWEDQQFBGEKZ-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C 252715764 538274688 /nfs/dbraw/zinc/27/46/88/538274688.db2.gz WQPQCZRPLOZDEX-GRYCIOLGSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@H](C)[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C 252715765 538275624 /nfs/dbraw/zinc/27/56/24/538275624.db2.gz WQPQCZRPLOZDEX-WOPDTQHZSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2C)CC[NH2+]1 252943920 538283748 /nfs/dbraw/zinc/28/37/48/538283748.db2.gz KXKGWSMELKYDEY-IJLUTSLNSA-N 2 0 196.338 2.001 20 0 AEADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C)CC[NH2+]1 252943921 538284947 /nfs/dbraw/zinc/28/49/47/538284947.db2.gz KXKGWSMELKYDEY-UTUOFQBUSA-N 2 0 196.338 2.001 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] 379350309 538356744 /nfs/dbraw/zinc/35/67/44/538356744.db2.gz SGPCNYKNCNLJJD-MNOVXSKESA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] 379350308 538357098 /nfs/dbraw/zinc/35/70/98/538357098.db2.gz SGPCNYKNCNLJJD-GHMZBOCLSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] 379350311 538358220 /nfs/dbraw/zinc/35/82/20/538358220.db2.gz SGPCNYKNCNLJJD-WDEREUQCSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] 379350310 538358575 /nfs/dbraw/zinc/35/85/75/538358575.db2.gz SGPCNYKNCNLJJD-QWRGUYRKSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)C[NH2+]C1CCC([NH+](C)C)CC1 379568187 538415257 /nfs/dbraw/zinc/41/52/57/538415257.db2.gz FGJPNIVTZZSZCA-UHFFFAOYSA-N 2 0 198.354 2.105 20 0 AEADRP CC[NH+](CC)CCC[NH2+]CC1(C)CC1 379584648 538418176 /nfs/dbraw/zinc/41/81/76/538418176.db2.gz ONDJOGHGLJDCTG-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CC(C)[NH2+]C[C@H]1CCCCN1C1CC1 379596865 538419777 /nfs/dbraw/zinc/41/97/77/538419777.db2.gz FZDHJGJLJHOOGS-GFCCVEGCSA-N 2 0 196.338 2.001 20 0 AEADRP CC(C)[NH2+]C[C@@H]1CCCCN1C1CC1 379596867 538420788 /nfs/dbraw/zinc/42/07/88/538420788.db2.gz FZDHJGJLJHOOGS-LBPRGKRZSA-N 2 0 196.338 2.001 20 0 AEADRP CCCN(CC)C[C@H](C)[NH2+]CC1CC1 379607822 538421379 /nfs/dbraw/zinc/42/13/79/538421379.db2.gz RKMDAAHBXUXHAF-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)C1CCC1 379623397 538424627 /nfs/dbraw/zinc/42/46/27/538424627.db2.gz HVHXHZHVDPDXJG-QWRGUYRKSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@H](CCC1CC1)[NH2+]CCC[NH+](C)C 379646537 538424911 /nfs/dbraw/zinc/42/49/11/538424911.db2.gz YPZWGPDXULHBLC-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H](C)C1CCC1 379623405 538424974 /nfs/dbraw/zinc/42/49/74/538424974.db2.gz HVHXHZHVDPDXJG-WDEREUQCSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](CCC1CC1)[NH2+]CCC[NH+](C)C 379646542 538425126 /nfs/dbraw/zinc/42/51/26/538425126.db2.gz YPZWGPDXULHBLC-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C1CCC1 379623389 538425362 /nfs/dbraw/zinc/42/53/62/538425362.db2.gz HVHXHZHVDPDXJG-GHMZBOCLSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1CCC1 379623394 538425469 /nfs/dbraw/zinc/42/54/69/538425469.db2.gz HVHXHZHVDPDXJG-MNOVXSKESA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@H]1CC[C@H]1[NH2+]CCN(C)C(C)C 389242855 538439942 /nfs/dbraw/zinc/43/99/42/538439942.db2.gz ZFNNTKZLQNQNEE-NWDGAFQWSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@H]1CC[C@@H]1[NH2+]CCN(C)C(C)C 389242857 538439893 /nfs/dbraw/zinc/43/98/93/538439893.db2.gz ZFNNTKZLQNQNEE-RYUDHWBXSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@@H]1CC[C@H]1[NH2+]CCN(C)C(C)C 389242859 538439934 /nfs/dbraw/zinc/43/99/34/538439934.db2.gz ZFNNTKZLQNQNEE-VXGBXAGGSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+]CCN(C)C(C)C 389242854 538440018 /nfs/dbraw/zinc/44/00/18/538440018.db2.gz ZFNNTKZLQNQNEE-NEPJUHHUSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@H](C)[NH2+]CCC[NH+](CC)CC 19943292 541301181 /nfs/dbraw/zinc/30/11/81/541301181.db2.gz XOHVWVDHMLIAMW-NSHDSACASA-N 2 0 186.343 2.106 20 0 AEADRP CC[C@@H](C)[NH2+]CCC[NH+](CC)CC 19943289 541301221 /nfs/dbraw/zinc/30/12/21/541301221.db2.gz XOHVWVDHMLIAMW-LLVKDONJSA-N 2 0 186.343 2.106 20 0 AEADRP CC[NH2+]CCC[NH2+]C1CCC(C)CC1 202528369 541315153 /nfs/dbraw/zinc/31/51/53/541315153.db2.gz WXSSUUOZPWYXIG-UHFFFAOYSA-N 2 0 198.354 2.154 20 0 AEADRP C[N@H+](CCCCCC[NH3+])CC1CCC1 61483147 756965421 /nfs/dbraw/zinc/96/54/21/756965421.db2.gz FQUVJTDEMJSZOQ-UHFFFAOYSA-N 2 0 198.354 2.237 20 0 AEADRP CCCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400549009 757132099 /nfs/dbraw/zinc/13/20/99/757132099.db2.gz WUXAJMFPOFFVQX-VXGBXAGGSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400549008 757139890 /nfs/dbraw/zinc/13/98/90/757139890.db2.gz WUXAJMFPOFFVQX-RYUDHWBXSA-N 2 0 198.354 2.297 20 0 AEADRP C[C@H]([NH3+])C[N@H+](C)CCCC(C)(C)C 300845375 571983949 /nfs/dbraw/zinc/98/39/49/571983949.db2.gz KHRIZTZBZKSBOG-JTQLQIEISA-N 2 0 186.343 2.092 20 0 AEADRP CCCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C 405393820 757198989 /nfs/dbraw/zinc/19/89/89/757198989.db2.gz NKXQTQUVYXWQNK-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C 405393826 757206965 /nfs/dbraw/zinc/20/69/65/757206965.db2.gz NKXQTQUVYXWQNK-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C 405393822 757212237 /nfs/dbraw/zinc/21/22/37/757212237.db2.gz NKXQTQUVYXWQNK-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CCCCCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C 405393831 757212630 /nfs/dbraw/zinc/21/26/30/757212630.db2.gz NKXQTQUVYXWQNK-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCC[NH3+] 235575587 572008185 /nfs/dbraw/zinc/00/81/85/572008185.db2.gz NCCFWEPULOAWNB-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP CCCC[C@H](CC)[NH2+]CCCC[NH3+] 68986718 572012604 /nfs/dbraw/zinc/01/26/04/572012604.db2.gz NRGPIGMOYMWHTL-NSHDSACASA-N 2 0 186.343 2.284 20 0 AEADRP C[N@H+](CCCCCC[NH3+])C1CCCC1 37092901 572087807 /nfs/dbraw/zinc/08/78/07/572087807.db2.gz DRZWQEWFZWQCCX-UHFFFAOYSA-N 2 0 198.354 2.380 20 0 AEADRP CCC(C)(C)CC[N@H+](C)C[C@@H](C)[NH3+] 686200891 757302413 /nfs/dbraw/zinc/30/24/13/757302413.db2.gz WVWMXAIZMDJWKL-SNVBAGLBSA-N 2 0 186.343 2.092 20 0 AEADRP CCCCC[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 686255064 757303419 /nfs/dbraw/zinc/30/34/19/757303419.db2.gz WCOBZPOBUHAKKR-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CCCCC[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 686255063 757305140 /nfs/dbraw/zinc/30/51/40/757305140.db2.gz WCOBZPOBUHAKKR-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CCCCC[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 686255061 757305515 /nfs/dbraw/zinc/30/55/15/757305515.db2.gz WCOBZPOBUHAKKR-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(C)(C)CC[N@H+](C)C[C@H](C)[NH3+] 686200890 757306354 /nfs/dbraw/zinc/30/63/54/757306354.db2.gz WVWMXAIZMDJWKL-JTQLQIEISA-N 2 0 186.343 2.092 20 0 AEADRP CCCCC[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 686255062 757307247 /nfs/dbraw/zinc/30/72/47/757307247.db2.gz WCOBZPOBUHAKKR-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CCC[N@H+](CCCCCC[NH3+])C1CC1 37097477 572095028 /nfs/dbraw/zinc/09/50/28/572095028.db2.gz LTIFZRJQJDJDKA-UHFFFAOYSA-N 2 0 198.354 2.380 20 0 AEADRP C[C@@H]1CCC[C@H]([NH2+]CCCC[NH3+])[C@@H]1C 82858752 572156107 /nfs/dbraw/zinc/15/61/07/572156107.db2.gz QJSNFTBQGFNSNA-UTUOFQBUSA-N 2 0 198.354 2.140 20 0 AEADRP CCCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 693558292 757390187 /nfs/dbraw/zinc/39/01/87/757390187.db2.gz XVGMNMBJQDFTOR-UTUOFQBUSA-N 2 0 198.354 2.282 20 0 AEADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2CCCCCC2)C1 693545964 757392096 /nfs/dbraw/zinc/39/20/96/757392096.db2.gz RAYMRYYHOCRNBV-PHIMTYICSA-N 2 0 196.338 2.036 20 0 AEADRP CCCCC[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 693548002 757392337 /nfs/dbraw/zinc/39/23/37/757392337.db2.gz XVGMNMBJQDFTOR-IJLUTSLNSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)C 693558363 757393801 /nfs/dbraw/zinc/39/38/01/757393801.db2.gz YSQQAYRTXFDHKR-TXEJJXNPSA-N 2 0 198.354 2.090 20 0 AEADRP CCCCC[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 693548004 757394893 /nfs/dbraw/zinc/39/48/93/757394893.db2.gz XVGMNMBJQDFTOR-SRVKXCTJSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 693558289 757395036 /nfs/dbraw/zinc/39/50/36/757395036.db2.gz XVGMNMBJQDFTOR-SDDRHHMPSA-N 2 0 198.354 2.282 20 0 AEADRP [NH3+][C@H]1C[C@H](C[NH2+]C2CCCCCC2)C1 693612598 757399233 /nfs/dbraw/zinc/39/92/33/757399233.db2.gz RAYMRYYHOCRNBV-XYPYZODXSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H](CC[NH2+][C@H](C)CC1CC1)[NH+](C)C 697856762 757432832 /nfs/dbraw/zinc/43/28/32/757432832.db2.gz AKVCUAZSFFFPON-MNOVXSKESA-N 2 0 198.354 2.105 20 0 AEADRP CCC(CC)[NH2+]CC[C@H](C)[NH+](C)C 697857803 757433118 /nfs/dbraw/zinc/43/31/18/757433118.db2.gz KJARCSJHXBZABY-JTQLQIEISA-N 2 0 186.343 2.105 20 0 AEADRP CCC(CC)[NH2+]CC[C@@H](C)[NH+](C)C 697857804 757433254 /nfs/dbraw/zinc/43/32/54/757433254.db2.gz KJARCSJHXBZABY-SNVBAGLBSA-N 2 0 186.343 2.105 20 0 AEADRP CC(C)=CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 697620057 757433380 /nfs/dbraw/zinc/43/33/80/757433380.db2.gz USTHUCYMTIZALH-LBPRGKRZSA-N 2 0 196.338 2.013 20 0 AEADRP C[C@H](CC1CC1)[NH2+]CC[C@@H](C)[NH+](C)C 697856761 757433813 /nfs/dbraw/zinc/43/38/13/757433813.db2.gz AKVCUAZSFFFPON-GHMZBOCLSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)[NH+](C)C 697859717 757434221 /nfs/dbraw/zinc/43/42/21/757434221.db2.gz RNDIFPZDOOEFLH-IJLUTSLNSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)[NH+](C)C 697859718 757435403 /nfs/dbraw/zinc/43/54/03/757435403.db2.gz RNDIFPZDOOEFLH-UTUOFQBUSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@H](CC[NH2+]C1CC(C)(C)C1)[NH+](C)C 697825811 757435687 /nfs/dbraw/zinc/43/56/87/757435687.db2.gz GZOZBAHTKDEUPF-SNVBAGLBSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](CC[NH2+]C1CCCCC1)[NH+](C)C 697858346 757435778 /nfs/dbraw/zinc/43/57/78/757435778.db2.gz MBHNBDVHFONJIF-NSHDSACASA-N 2 0 198.354 2.249 20 0 AEADRP CC(C)=CCC[N@@H+]1CCC[C@H](C[NH3+])C1 697620056 757435865 /nfs/dbraw/zinc/43/58/65/757435865.db2.gz USTHUCYMTIZALH-GFCCVEGCSA-N 2 0 196.338 2.013 20 0 AEADRP C[C@@H](CC1CC1)[NH2+]CC[C@@H](C)[NH+](C)C 697856764 757435952 /nfs/dbraw/zinc/43/59/52/757435952.db2.gz AKVCUAZSFFFPON-WDEREUQCSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](CC[NH2+][C@H]1CCC[C@H]1C)[NH+](C)C 697859720 757436315 /nfs/dbraw/zinc/43/63/15/757436315.db2.gz RNDIFPZDOOEFLH-WOPDTQHZSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](CC1CC1)[NH2+]CC[C@H](C)[NH+](C)C 697856763 757438294 /nfs/dbraw/zinc/43/82/94/757438294.db2.gz AKVCUAZSFFFPON-QWRGUYRKSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](CC[NH2+][C@@H]1CCC[C@H]1C)[NH+](C)C 697859715 757438331 /nfs/dbraw/zinc/43/83/31/757438331.db2.gz RNDIFPZDOOEFLH-GRYCIOLGSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@H](CC[NH2+]C1CCCCC1)[NH+](C)C 697858345 757438599 /nfs/dbraw/zinc/43/85/99/757438599.db2.gz MBHNBDVHFONJIF-LLVKDONJSA-N 2 0 198.354 2.249 20 0 AEADRP C[C@@H](CC[NH2+]C1CC(C)(C)C1)[NH+](C)C 697825806 757439220 /nfs/dbraw/zinc/43/92/20/757439220.db2.gz GZOZBAHTKDEUPF-JTQLQIEISA-N 2 0 198.354 2.105 20 0 AEADRP C[C@H]([NH2+]CC[C@@H](C)[NH+](C)C)C1CCC1 697933841 757441012 /nfs/dbraw/zinc/44/10/12/757441012.db2.gz AARUDYLEJKOHFY-MNOVXSKESA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](CC[NH2+][C@H](C)C1CCC1)[NH+](C)C 697933846 757441798 /nfs/dbraw/zinc/44/17/98/757441798.db2.gz AARUDYLEJKOHFY-WDEREUQCSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)[C@H](C)[NH2+]CCCCCC[NH3+] 698144387 757443675 /nfs/dbraw/zinc/44/36/75/757443675.db2.gz LOUGIYMVDRSOPX-NSHDSACASA-N 2 0 186.343 2.140 20 0 AEADRP C[C@H]([NH2+]CC[C@H](C)[NH+](C)C)C1CCC1 697933845 757444111 /nfs/dbraw/zinc/44/41/11/757444111.db2.gz AARUDYLEJKOHFY-QWRGUYRKSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)[C@@H](C)[NH2+]CCCCCC[NH3+] 698144385 757444854 /nfs/dbraw/zinc/44/48/54/757444854.db2.gz LOUGIYMVDRSOPX-LLVKDONJSA-N 2 0 186.343 2.140 20 0 AEADRP CCC[C@H](C)[NH2+]CCCCCC[NH3+] 698140188 757445714 /nfs/dbraw/zinc/44/57/14/757445714.db2.gz NFOOGMOMEIHHOL-NSHDSACASA-N 2 0 186.343 2.284 20 0 AEADRP C[C@@H]([NH2+]CC[C@@H](C)[NH+](C)C)C1CCC1 697933833 757446149 /nfs/dbraw/zinc/44/61/49/757446149.db2.gz AARUDYLEJKOHFY-GHMZBOCLSA-N 2 0 198.354 2.105 20 0 AEADRP CCC[C@@H](C)[NH2+]CCCCCC[NH3+] 698140186 757446698 /nfs/dbraw/zinc/44/66/98/757446698.db2.gz NFOOGMOMEIHHOL-LLVKDONJSA-N 2 0 186.343 2.284 20 0 AEADRP [NH3+]CC1CC([NH2+]C2CCCCCC2)C1 885832954 757549275 /nfs/dbraw/zinc/54/92/75/757549275.db2.gz BOYDIUDKMLWALG-UHFFFAOYSA-N 2 0 196.338 2.036 20 0 AEADRP CCCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 86402391 572930914 /nfs/dbraw/zinc/93/09/14/572930914.db2.gz ITUQLUZEUIVBSO-NEPJUHHUSA-N 2 0 198.354 2.426 20 0 AEADRP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)[C@H]1C[C@H]1C 1118122180 757653960 /nfs/dbraw/zinc/65/39/60/757653960.db2.gz QNSUFQKBFULZLC-RHYQMDGZSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCC(C)(C)C1 1118119373 757655102 /nfs/dbraw/zinc/65/51/02/757655102.db2.gz NPUCDSMVFNXFHQ-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCC1(C)C 1118119620 757656083 /nfs/dbraw/zinc/65/60/83/757656083.db2.gz OKISOOGEHSSHBU-MNOVXSKESA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC1(C)C 1118119624 757656402 /nfs/dbraw/zinc/65/64/02/757656402.db2.gz OKISOOGEHSSHBU-WDEREUQCSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH2+]C 1118122213 757657370 /nfs/dbraw/zinc/65/73/70/757657370.db2.gz RFGKSKLZEHXBSM-IJLUTSLNSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC(C)(C)C1 1118119370 757658033 /nfs/dbraw/zinc/65/80/33/757658033.db2.gz NPUCDSMVFNXFHQ-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH2+]C 1118122214 757658046 /nfs/dbraw/zinc/65/80/46/757658046.db2.gz RFGKSKLZEHXBSM-QJPTWQEYSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)[C@@H]1C[C@H]1C 1118122179 757658951 /nfs/dbraw/zinc/65/89/51/757658951.db2.gz QNSUFQKBFULZLC-KXNHARMFSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCC1(C)C 1118119619 757659421 /nfs/dbraw/zinc/65/94/21/757659421.db2.gz OKISOOGEHSSHBU-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCC1(C)C 1118119621 757659556 /nfs/dbraw/zinc/65/95/56/757659556.db2.gz OKISOOGEHSSHBU-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCC(C)(C)C1 1118119372 757659773 /nfs/dbraw/zinc/65/97/73/757659773.db2.gz NPUCDSMVFNXFHQ-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH2+]C 1118122216 757659820 /nfs/dbraw/zinc/65/98/20/757659820.db2.gz RFGKSKLZEHXBSM-UTUOFQBUSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCC(C)(C)C1 1118119375 757660005 /nfs/dbraw/zinc/66/00/05/757660005.db2.gz NPUCDSMVFNXFHQ-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)[C@@H]1C[C@@H]1C 1118122181 757660381 /nfs/dbraw/zinc/66/03/81/757660381.db2.gz QNSUFQKBFULZLC-YFKTTZPYSA-N 2 0 198.354 2.009 20 0 AEADRP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)[C@H]1C[C@@H]1C 1118122178 757661911 /nfs/dbraw/zinc/66/19/11/757661911.db2.gz QNSUFQKBFULZLC-BJDJZHNGSA-N 2 0 198.354 2.009 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH2+]C 1118122215 757662422 /nfs/dbraw/zinc/66/24/22/757662422.db2.gz RFGKSKLZEHXBSM-TUAOUCFPSA-N 2 0 198.354 2.010 20 0 AEADRP CC1CCC([NH2+]CCC(C)(C)[NH3+])CC1 308553539 573323696 /nfs/dbraw/zinc/32/36/96/573323696.db2.gz TXDIWVXNNVXXOT-UHFFFAOYSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] 308557284 573344586 /nfs/dbraw/zinc/34/45/86/573344586.db2.gz UTDDECYGPHQTNQ-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] 308557281 573345913 /nfs/dbraw/zinc/34/59/13/573345913.db2.gz UTDDECYGPHQTNQ-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC1(C)CCC[C@H]([NH2+]CCCC[NH3+])C1 70628988 571707186 /nfs/dbraw/zinc/70/71/86/571707186.db2.gz BANINRSWFMUKQN-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP [NH3+]CCCC[NH2+]C1CCCCCC1 37714658 572181382 /nfs/dbraw/zinc/18/13/82/572181382.db2.gz NRVSMTFULFMDTG-UHFFFAOYSA-N 2 0 184.327 2.038 20 0 AEADRP CCCCN(C)CC[NH2+][C@@H]1CC[C@@H]1C 308596695 573480561 /nfs/dbraw/zinc/48/05/61/573480561.db2.gz MVVSMYYXTDFTHP-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CCCCN(C)CC[NH2+][C@H]1CC[C@@H]1C 308596696 573480595 /nfs/dbraw/zinc/48/05/95/573480595.db2.gz MVVSMYYXTDFTHP-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CCCCN(C)CC[NH2+][C@@H]1CC[C@H]1C 308596698 573481051 /nfs/dbraw/zinc/48/10/51/573481051.db2.gz MVVSMYYXTDFTHP-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP C[C@@H](NCCC(C)(C)[NH3+])c1ccco1 308633162 573567254 /nfs/dbraw/zinc/56/72/54/573567254.db2.gz ZVQAFKBTJIRQQZ-SECBINFHSA-N 2 0 196.294 2.058 20 0 AEADRP C1CCCC([NH2+][C@H]2CC[NH2+]C2)CCC1 86724643 573597114 /nfs/dbraw/zinc/59/71/14/573597114.db2.gz FWAFFLCJDRPGRH-LBPRGKRZSA-N 2 0 196.338 2.051 20 0 AEADRP C1CCCC([NH2+][C@@H]2CC[NH2+]C2)CCC1 86724641 573597250 /nfs/dbraw/zinc/59/72/50/573597250.db2.gz FWAFFLCJDRPGRH-GFCCVEGCSA-N 2 0 196.338 2.051 20 0 AEADRP CCCCCC[NH2+]CC1([NH3+])CCC1 308683203 573702953 /nfs/dbraw/zinc/70/29/53/573702953.db2.gz YGTFETJLLKGKLL-UHFFFAOYSA-N 2 0 184.327 2.038 20 0 AEADRP CCCCC[C@H](C)[NH2+]CCC[NH2+]C 43618954 573852806 /nfs/dbraw/zinc/85/28/06/573852806.db2.gz UITUXVBGBAAZAD-NSHDSACASA-N 2 0 186.343 2.154 20 0 AEADRP CCCC[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 40621944 573879493 /nfs/dbraw/zinc/87/94/93/573879493.db2.gz CWCRDTLOQLJAPL-GFCCVEGCSA-N 2 0 198.354 2.106 20 0 AEADRP C1CC[NH2+][C@H](C[NH2+]C2CCCC2)CC1 81038160 573930083 /nfs/dbraw/zinc/93/00/83/573930083.db2.gz QIGLXCPOACOWDL-LBPRGKRZSA-N 2 0 196.338 2.051 20 0 AEADRP CC[C@@H](C)[C@H](C)[NH+]1CCC([NH2+]C)CC1 42556586 573969304 /nfs/dbraw/zinc/96/93/04/573969304.db2.gz ZFWZVTIWVCSBSF-MNOVXSKESA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH+]1CCC([NH2+]C)CC1 42556583 573969693 /nfs/dbraw/zinc/96/96/93/573969693.db2.gz ZFWZVTIWVCSBSF-WDEREUQCSA-N 2 0 198.354 2.105 20 0 AEADRP CCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])CC 42574149 573983357 /nfs/dbraw/zinc/98/33/57/573983357.db2.gz QPJWIPWCSKRVMK-MNOVXSKESA-N 2 0 186.343 2.282 20 0 AEADRP CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 42573891 573986009 /nfs/dbraw/zinc/98/60/09/573986009.db2.gz AGBKTWOXSJDRLO-VXGBXAGGSA-N 2 0 198.354 2.297 20 0 AEADRP C[C@H]([NH2+]C1CC([NH3+])C1)C1CCCCC1 87651877 573993476 /nfs/dbraw/zinc/99/34/76/573993476.db2.gz YVMKVTXMSLDZIB-GCVQQVDUSA-N 2 0 196.338 2.035 20 0 AEADRP CCC[N@H+](C)CC1CC[NH+](CC)CC1 1208596026 762234397 /nfs/dbraw/zinc/23/43/97/762234397.db2.gz ZMAVTLUMUTUIEN-UHFFFAOYSA-N 2 0 198.354 2.060 20 0 AEADRP CCCCC[N@H+](C)CC1CC[NH2+]CC1 37171866 1169076790 /nfs/dbraw/zinc/07/67/90/1169076790.db2.gz STYDFNDEEFGMMN-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP C[C@H]1CCC[N@@H+]1CCCCCCC[NH3+] 37911181 1169081221 /nfs/dbraw/zinc/08/12/21/1169081221.db2.gz FZWPMUAVEJBIJS-LBPRGKRZSA-N 2 0 198.354 2.380 20 0 AEADRP CCC(CC)(C[NH3+])C[N@@H+]1CC[C@@H](C)C1 51249961 1169092011 /nfs/dbraw/zinc/09/20/11/1169092011.db2.gz WMRAZRIGRUVNRS-LLVKDONJSA-N 2 0 198.354 2.093 20 0 AEADRP CCC(CC)(C[NH3+])C[N@@H+]1CC[C@H](C)C1 51249960 1169092091 /nfs/dbraw/zinc/09/20/91/1169092091.db2.gz WMRAZRIGRUVNRS-NSHDSACASA-N 2 0 198.354 2.093 20 0 AEADRP CC[C@H]1CCC[N@H+](CC(C)(C)C[NH3+])C1 51217711 1169092255 /nfs/dbraw/zinc/09/22/55/1169092255.db2.gz NYTBDIRGMUNDNB-NSHDSACASA-N 2 0 198.354 2.093 20 0 AEADRP CCCC1CC[NH+](CCC[NH2+]C)CC1 50905111 1169092552 /nfs/dbraw/zinc/09/25/52/1169092552.db2.gz BILKDTCQCBAMAP-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CCC[N@H+](CC(C)(C)C[NH3+])C(C)C 51215780 1169092611 /nfs/dbraw/zinc/09/26/11/1169092611.db2.gz XMMIBTQAFTYKGA-UHFFFAOYSA-N 2 0 186.343 2.092 20 0 AEADRP CC[C@@H]1CCC[N@H+](CC(C)(C)C[NH3+])C1 51217710 1169093157 /nfs/dbraw/zinc/09/31/57/1169093157.db2.gz NYTBDIRGMUNDNB-LLVKDONJSA-N 2 0 198.354 2.093 20 0 AEADRP CC[C@H](C)CC[NH2+][C@@H]1CC[NH2+]C1(C)C 925708855 673948226 /nfs/dbraw/zinc/94/82/26/673948226.db2.gz SOLZJHFGAZEJEM-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(C)(C)[NH2+]CC1CC[NH+](C)CC1 54239497 673948254 /nfs/dbraw/zinc/94/82/54/673948254.db2.gz IVPFERQFHSSCSC-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)CC[NH2+][C@H]1CC[NH2+]C1(C)C 925708853 673948343 /nfs/dbraw/zinc/94/83/43/673948343.db2.gz SOLZJHFGAZEJEM-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H](C)CC[NH2+][C@H]1CC[NH2+]C1(C)C 925708851 673948351 /nfs/dbraw/zinc/94/83/51/673948351.db2.gz SOLZJHFGAZEJEM-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H](C)CC[NH2+][C@@H]1CC[NH2+]C1(C)C 925708849 673948435 /nfs/dbraw/zinc/94/84/35/673948435.db2.gz SOLZJHFGAZEJEM-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CCCC[NH2+]CCC1CC[NH+](C)CC1 125134239 1169170675 /nfs/dbraw/zinc/17/06/75/1169170675.db2.gz VYBPQUTWKDIBGL-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CCCCCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 250824243 673952316 /nfs/dbraw/zinc/95/23/16/673952316.db2.gz MQXYLSGDJSAOLW-VXGBXAGGSA-N 2 0 198.354 2.378 20 0 AEADRP CC(C)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 127726591 1169175008 /nfs/dbraw/zinc/17/50/08/1169175008.db2.gz LOQUMQQJQSUBLD-NEPJUHHUSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 127726858 1169176391 /nfs/dbraw/zinc/17/63/91/1169176391.db2.gz LOQUMQQJQSUBLD-RYUDHWBXSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 127727035 1169176466 /nfs/dbraw/zinc/17/64/66/1169176466.db2.gz LOQUMQQJQSUBLD-VXGBXAGGSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 127727306 1169176907 /nfs/dbraw/zinc/17/69/07/1169176907.db2.gz LOQUMQQJQSUBLD-NWDGAFQWSA-N 2 0 198.354 2.105 20 0 AEADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCC(C)(C)C1 129528541 1169182494 /nfs/dbraw/zinc/18/24/94/1169182494.db2.gz NZHSIKHFTVPDDD-MNOVXSKESA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC(C)(C)C1 129528331 1169182861 /nfs/dbraw/zinc/18/28/61/1169182861.db2.gz NZHSIKHFTVPDDD-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC(C)(C)C1 129527904 1169182987 /nfs/dbraw/zinc/18/29/87/1169182987.db2.gz NZHSIKHFTVPDDD-WDEREUQCSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCC(C)(C)C1 129528116 1169183507 /nfs/dbraw/zinc/18/35/07/1169183507.db2.gz NZHSIKHFTVPDDD-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 226936801 673969684 /nfs/dbraw/zinc/96/96/84/673969684.db2.gz YLCNGZDWDRBZSH-NWDGAFQWSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 226936807 673969698 /nfs/dbraw/zinc/96/96/98/673969698.db2.gz YLCNGZDWDRBZSH-RYUDHWBXSA-N 2 0 198.354 2.236 20 0 AEADRP CCCC[NH2+]C[C@H]1CCCC[N@H+](C)C1 700799513 673977945 /nfs/dbraw/zinc/97/79/45/673977945.db2.gz IPKDQBKJHIIZCO-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP CCCC[NH2+]C[C@@H]1CCCC[N@H+](C)C1 700799516 673978441 /nfs/dbraw/zinc/97/84/41/673978441.db2.gz IPKDQBKJHIIZCO-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CC[N@H+](CCCCCC[NH3+])C1CCC1 706731397 673987554 /nfs/dbraw/zinc/98/75/54/673987554.db2.gz GQORVBZYILHFSG-UHFFFAOYSA-N 2 0 198.354 2.380 20 0 AEADRP C[C@H](CC1CCC1)[NH2+]CCC(C)(C)[NH3+] 710240240 673996560 /nfs/dbraw/zinc/99/65/60/673996560.db2.gz HJMZMQUNDUXMIP-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CC1CCC1)[NH2+]CCC(C)(C)[NH3+] 710240234 673996964 /nfs/dbraw/zinc/99/69/64/673996964.db2.gz HJMZMQUNDUXMIP-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP CCCCCC[C@H](C)[NH2+]CC1C[NH2+]C1 710919785 673997156 /nfs/dbraw/zinc/99/71/56/673997156.db2.gz YUZFQZXFUQCOFC-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CCCCCC[C@@H](C)[NH2+]CC1C[NH2+]C1 710919782 673997860 /nfs/dbraw/zinc/99/78/60/673997860.db2.gz YUZFQZXFUQCOFC-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C=CCC1 711790408 674003895 /nfs/dbraw/zinc/00/38/95/674003895.db2.gz XRFUVHJIPYLFHE-VXGBXAGGSA-N 2 0 196.338 2.060 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C=CCC1 711790405 674004099 /nfs/dbraw/zinc/00/40/99/674004099.db2.gz XRFUVHJIPYLFHE-NWDGAFQWSA-N 2 0 196.338 2.060 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C=CCC1 711790404 674004400 /nfs/dbraw/zinc/00/44/00/674004400.db2.gz XRFUVHJIPYLFHE-NEPJUHHUSA-N 2 0 196.338 2.060 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1C=CCC1 711790407 674004418 /nfs/dbraw/zinc/00/44/18/674004418.db2.gz XRFUVHJIPYLFHE-RYUDHWBXSA-N 2 0 196.338 2.060 20 0 AEADRP CCCC[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 715570890 674021924 /nfs/dbraw/zinc/02/19/24/674021924.db2.gz OCTLDVJQABAWET-RYUDHWBXSA-N 2 0 198.354 2.249 20 0 AEADRP CCCC[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 715570893 674022045 /nfs/dbraw/zinc/02/20/45/674022045.db2.gz OCTLDVJQABAWET-VXGBXAGGSA-N 2 0 198.354 2.249 20 0 AEADRP CCCC[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 715570885 674022051 /nfs/dbraw/zinc/02/20/51/674022051.db2.gz OCTLDVJQABAWET-NEPJUHHUSA-N 2 0 198.354 2.249 20 0 AEADRP CCCC[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 715570888 674022201 /nfs/dbraw/zinc/02/22/01/674022201.db2.gz OCTLDVJQABAWET-NWDGAFQWSA-N 2 0 198.354 2.249 20 0 AEADRP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 167101727 1169281579 /nfs/dbraw/zinc/28/15/79/1169281579.db2.gz VKMVBYLKWIYLNZ-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 167101842 1169282241 /nfs/dbraw/zinc/28/22/41/1169282241.db2.gz VKMVBYLKWIYLNZ-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP C[N@H+](CCCCCCC[NH3+])CC1CC1 37925718 674063491 /nfs/dbraw/zinc/06/34/91/674063491.db2.gz OFKYLDUCYSKIFB-UHFFFAOYSA-N 2 0 198.354 2.237 20 0 AEADRP CC[C@@H]1CCC[N@@H+]1CCCCCC[NH3+] 37914183 674063520 /nfs/dbraw/zinc/06/35/20/674063520.db2.gz HHANXLGTYALEQA-GFCCVEGCSA-N 2 0 198.354 2.380 20 0 AEADRP CC[C@H]1CCC[N@@H+]1CCCCCC[NH3+] 37914184 674063606 /nfs/dbraw/zinc/06/36/06/674063606.db2.gz HHANXLGTYALEQA-LBPRGKRZSA-N 2 0 198.354 2.380 20 0 AEADRP C[C@@H]1CCC[N@@H+]1CCCCCCC[NH3+] 37911180 674063618 /nfs/dbraw/zinc/06/36/18/674063618.db2.gz FZWPMUAVEJBIJS-GFCCVEGCSA-N 2 0 198.354 2.380 20 0 AEADRP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 167101564 1169283239 /nfs/dbraw/zinc/28/32/39/1169283239.db2.gz VKMVBYLKWIYLNZ-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CCCCC[C@H](C)[NH2+]C1CC[NH2+]CC1 38040870 674064631 /nfs/dbraw/zinc/06/46/31/674064631.db2.gz YMHSXNVREQBLOK-NSHDSACASA-N 2 0 198.354 2.297 20 0 AEADRP CCCCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 38040869 674064636 /nfs/dbraw/zinc/06/46/36/674064636.db2.gz YMHSXNVREQBLOK-LLVKDONJSA-N 2 0 198.354 2.297 20 0 AEADRP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 167101665 1169284291 /nfs/dbraw/zinc/28/42/91/1169284291.db2.gz VKMVBYLKWIYLNZ-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP C[C@H]1C[C@H](C)CC[C@H]1[NH2+]CCCC[NH3+] 221972234 1169356491 /nfs/dbraw/zinc/35/64/91/1169356491.db2.gz ZXTJLGCKNGZULE-GRYCIOLGSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC[NH3+] 221972569 1169356911 /nfs/dbraw/zinc/35/69/11/1169356911.db2.gz JSBNKCKOKYUBNZ-WOPDTQHZSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCC[NH3+] 221972351 1169358569 /nfs/dbraw/zinc/35/85/69/1169358569.db2.gz ZXTJLGCKNGZULE-WOPDTQHZSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCCC[NH3+])C1 221972470 1169358849 /nfs/dbraw/zinc/35/88/49/1169358849.db2.gz JSBNKCKOKYUBNZ-UTUOFQBUSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC[NH3+] 235292082 1169415764 /nfs/dbraw/zinc/41/57/64/1169415764.db2.gz NCCFWEPULOAWNB-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])C(C)C 251925807 1169430412 /nfs/dbraw/zinc/43/04/12/1169430412.db2.gz YUPWCENTLKWKMA-RYUDHWBXSA-N 2 0 198.354 2.092 20 0 AEADRP C[C@H]1[C@H](C)CCC[C@H]1[NH2+]CCCC[NH3+] 252183317 1169430440 /nfs/dbraw/zinc/43/04/40/1169430440.db2.gz QJSNFTBQGFNSNA-GRYCIOLGSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H]1C[C@@H](C)C[C@H]([NH2+]CCCC[NH3+])C1 251730943 1169430468 /nfs/dbraw/zinc/43/04/68/1169430468.db2.gz CJFXAYJHEMDKPS-GDNZZTSVSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1CC[C@H]([NH2+]CCCC[NH3+])C[C@H]1C 251950063 1169430692 /nfs/dbraw/zinc/43/06/92/1169430692.db2.gz WSJGZKVTPPICTI-UTUOFQBUSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1[C@@H]([NH2+]CCCC[NH3+])CCC[C@H]1C 252183318 1169430918 /nfs/dbraw/zinc/43/09/18/1169430918.db2.gz QJSNFTBQGFNSNA-WOPDTQHZSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH3+])C[C@H]1C 251950062 1169431779 /nfs/dbraw/zinc/43/17/79/1169431779.db2.gz WSJGZKVTPPICTI-IJLUTSLNSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])C(C)C 251925804 1169432046 /nfs/dbraw/zinc/43/20/46/1169432046.db2.gz YUPWCENTLKWKMA-NWDGAFQWSA-N 2 0 198.354 2.092 20 0 AEADRP CC1(C)CC([NH2+]CC2([NH3+])CCCC2)C1 306967335 1169495473 /nfs/dbraw/zinc/49/54/73/1169495473.db2.gz GMMBKWULZQWCOK-UHFFFAOYSA-N 2 0 196.338 2.036 20 0 AEADRP CC1(C)CCC[C@@H](C[NH2+]CCC[NH3+])C1 309018416 1169552399 /nfs/dbraw/zinc/55/23/99/1169552399.db2.gz VQIHYJGNNQJJKG-LLVKDONJSA-N 2 0 198.354 2.141 20 0 AEADRP CC1(C)CCC[C@H](C[NH2+]CCC[NH3+])C1 309018417 1169552897 /nfs/dbraw/zinc/55/28/97/1169552897.db2.gz VQIHYJGNNQJJKG-NSHDSACASA-N 2 0 198.354 2.141 20 0 AEADRP CCC[C@H]([NH2+]CCCC[NH3+])C1CCC1 322474240 1169554653 /nfs/dbraw/zinc/55/46/53/1169554653.db2.gz PWEUYRJSDJOLKI-LBPRGKRZSA-N 2 0 198.354 2.284 20 0 AEADRP CCC[C@@H]([NH2+]CCCC[NH3+])C1CCC1 322474239 1169554939 /nfs/dbraw/zinc/55/49/39/1169554939.db2.gz PWEUYRJSDJOLKI-GFCCVEGCSA-N 2 0 198.354 2.284 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+]CC[C@H](C)[NH2+]C 319245452 1169554990 /nfs/dbraw/zinc/55/49/90/1169554990.db2.gz WYHZITSOJHEVHU-DCAQKATOSA-N 2 0 186.343 2.009 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)[NH2+]C 319245454 1169555046 /nfs/dbraw/zinc/55/50/46/1169555046.db2.gz WYHZITSOJHEVHU-HBNTYKKESA-N 2 0 186.343 2.009 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+]CC[C@H](C)[NH2+]C 319245453 1169555604 /nfs/dbraw/zinc/55/56/04/1169555604.db2.gz WYHZITSOJHEVHU-GARJFASQSA-N 2 0 186.343 2.009 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](C)[NH2+]C 319245451 1169556531 /nfs/dbraw/zinc/55/65/31/1169556531.db2.gz WYHZITSOJHEVHU-AXFHLTTASA-N 2 0 186.343 2.009 20 0 AEADRP CC[C@H]([NH2+]CCCC[NH3+])C1CCCC1 387415435 1169615564 /nfs/dbraw/zinc/61/55/64/1169615564.db2.gz DTGALZXEFMCBRF-LBPRGKRZSA-N 2 0 198.354 2.284 20 0 AEADRP CC[C@@H]([NH2+]CCCC[NH3+])C1CCCC1 387415433 1169617792 /nfs/dbraw/zinc/61/77/92/1169617792.db2.gz DTGALZXEFMCBRF-GFCCVEGCSA-N 2 0 198.354 2.284 20 0 AEADRP [NH3+]CCCC[NH2+][C@@H]1CCCC12CCC2 394741724 1169648978 /nfs/dbraw/zinc/64/89/78/1169648978.db2.gz RHUYJRMMOLJAKN-LLVKDONJSA-N 2 0 196.338 2.038 20 0 AEADRP [NH3+]CCCC[NH2+][C@H]1CCCC12CCC2 394741726 1169649432 /nfs/dbraw/zinc/64/94/32/1169649432.db2.gz RHUYJRMMOLJAKN-NSHDSACASA-N 2 0 196.338 2.038 20 0 AEADRP C[C@H]1CCCC[C@H]1C[NH2+]CCCC[NH3+] 394830049 1169649616 /nfs/dbraw/zinc/64/96/16/1169649616.db2.gz NDRZVFGSULBOGK-RYUDHWBXSA-N 2 0 198.354 2.141 20 0 AEADRP C[C@@H]1CCCC[C@@H]1C[NH2+]CCCC[NH3+] 394830051 1169650112 /nfs/dbraw/zinc/65/01/12/1169650112.db2.gz NDRZVFGSULBOGK-VXGBXAGGSA-N 2 0 198.354 2.141 20 0 AEADRP C[C@@H]1CCCC[C@H]1C[NH2+]CCCC[NH3+] 394830046 1169650881 /nfs/dbraw/zinc/65/08/81/1169650881.db2.gz NDRZVFGSULBOGK-NEPJUHHUSA-N 2 0 198.354 2.141 20 0 AEADRP C[C@H]1CCCC[C@@H]1C[NH2+]CCCC[NH3+] 394830047 1169650968 /nfs/dbraw/zinc/65/09/68/1169650968.db2.gz NDRZVFGSULBOGK-NWDGAFQWSA-N 2 0 198.354 2.141 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+]CCCC[NH3+] 395014492 1169652493 /nfs/dbraw/zinc/65/24/93/1169652493.db2.gz KZSGYVDGOYKJQU-SNVBAGLBSA-N 2 0 186.343 2.140 20 0 AEADRP C[C@@H](CC(C)(C)C)[NH2+]CCCC[NH3+] 395014491 1169654318 /nfs/dbraw/zinc/65/43/18/1169654318.db2.gz KZSGYVDGOYKJQU-JTQLQIEISA-N 2 0 186.343 2.140 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C 398308395 1169665673 /nfs/dbraw/zinc/66/56/73/1169665673.db2.gz QZRODJZTCDMNQX-AXFHLTTASA-N 2 0 198.354 2.136 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C 398308397 1169665920 /nfs/dbraw/zinc/66/59/20/1169665920.db2.gz QZRODJZTCDMNQX-DCAQKATOSA-N 2 0 198.354 2.136 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C 398308399 1169667545 /nfs/dbraw/zinc/66/75/45/1169667545.db2.gz QZRODJZTCDMNQX-GARJFASQSA-N 2 0 198.354 2.136 20 0 AEADRP CC[C@@H](C)C[NH2+][C@@H](C)C1CC[NH2+]CC1 400501800 1169673274 /nfs/dbraw/zinc/67/32/74/1169673274.db2.gz GYQMJWTYHCFNKG-MNOVXSKESA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)C[NH2+][C@H](C)C1CC[NH2+]CC1 400501805 1169673542 /nfs/dbraw/zinc/67/35/42/1169673542.db2.gz GYQMJWTYHCFNKG-WDEREUQCSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H](C)C[NH2+][C@H](C)C1CC[NH2+]CC1 400501798 1169674368 /nfs/dbraw/zinc/67/43/68/1169674368.db2.gz GYQMJWTYHCFNKG-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP CCC(CC)[NH2+][C@@H](C)C1CC[NH2+]CC1 400440915 1169674374 /nfs/dbraw/zinc/67/43/74/1169674374.db2.gz FAHGPIKVOONZDK-JTQLQIEISA-N 2 0 198.354 2.153 20 0 AEADRP CCCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400549007 1169674670 /nfs/dbraw/zinc/67/46/70/1169674670.db2.gz WUXAJMFPOFFVQX-NWDGAFQWSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400549006 1169674744 /nfs/dbraw/zinc/67/47/44/1169674744.db2.gz WUXAJMFPOFFVQX-NEPJUHHUSA-N 2 0 198.354 2.297 20 0 AEADRP CC[C@H](C)C[NH2+][C@@H](C)C1CC[NH2+]CC1 400501802 1169674854 /nfs/dbraw/zinc/67/48/54/1169674854.db2.gz GYQMJWTYHCFNKG-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP C[N@H+](CC1=CCCC1)CC(C)(C)C[NH3+] 401044799 1169677176 /nfs/dbraw/zinc/67/71/76/1169677176.db2.gz LNQCCIXSANHRFW-UHFFFAOYSA-N 2 0 196.338 2.013 20 0 AEADRP CC(C)[NH+]1CCC([NH2+]C2(C)CC2)CC1 1257200600 1169979727 /nfs/dbraw/zinc/97/97/27/1169979727.db2.gz FJZWCEVZBJXZBO-UHFFFAOYSA-N 2 0 196.338 2.001 20 0 AEADRP CC[C@@H]1C[N@H+](CCC(C)C)CC[C@@H]1[NH3+] 157890958 566269348 /nfs/dbraw/zinc/26/93/48/566269348.db2.gz VLMJLMXZXWKZKM-NEPJUHHUSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@H]1C[N@H+](CCC(C)C)CC[C@@H]1[NH3+] 157891115 566270419 /nfs/dbraw/zinc/27/04/19/566270419.db2.gz VLMJLMXZXWKZKM-RYUDHWBXSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)=CCC[C@H](C)[NH2+]CCCC[NH3+] 1258075802 1170050314 /nfs/dbraw/zinc/05/03/14/1170050314.db2.gz FCVXIYYFEORCAQ-LBPRGKRZSA-N 2 0 198.354 2.450 20 0 AEADRP CC(C)=CCC[C@@H](C)[NH2+]CCCC[NH3+] 1258075801 1170052284 /nfs/dbraw/zinc/05/22/84/1170052284.db2.gz FCVXIYYFEORCAQ-GFCCVEGCSA-N 2 0 198.354 2.450 20 0 AEADRP CCC[NH+]1CCC([NH2+]C2(C)CC2)CC1 1258764048 1170099873 /nfs/dbraw/zinc/09/98/73/1170099873.db2.gz HGHVBNZCLYKTAW-UHFFFAOYSA-N 2 0 196.338 2.003 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+]CC1CCCCC1 1261370557 1170111912 /nfs/dbraw/zinc/11/19/12/1170111912.db2.gz NBTWCEOKNIKAEF-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+]CC1CCCCC1 1261370556 1170112447 /nfs/dbraw/zinc/11/24/47/1170112447.db2.gz NBTWCEOKNIKAEF-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@@H](C)[NH2+]CC[C@H](C)[NH2+]C 1261422800 1170114130 /nfs/dbraw/zinc/11/41/30/1170114130.db2.gz GHNNZYVVHDQLFA-WDEREUQCSA-N 2 0 186.343 2.153 20 0 AEADRP CCCC[C@H](C)[NH2+]CC[C@@H](C)[NH2+]C 1261422798 1170114578 /nfs/dbraw/zinc/11/45/78/1170114578.db2.gz GHNNZYVVHDQLFA-MNOVXSKESA-N 2 0 186.343 2.153 20 0 AEADRP CCCC[C@@H](C)[NH2+]CC[C@@H](C)[NH2+]C 1261422797 1170114864 /nfs/dbraw/zinc/11/48/64/1170114864.db2.gz GHNNZYVVHDQLFA-GHMZBOCLSA-N 2 0 186.343 2.153 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+]C1CCC(C)CC1 1261423037 1170115160 /nfs/dbraw/zinc/11/51/60/1170115160.db2.gz MSGULAUNMMJUSC-CXQJBGSLSA-N 2 0 198.354 2.153 20 0 AEADRP CCCC[C@H](C)[NH2+]CC[C@H](C)[NH2+]C 1261422799 1170115302 /nfs/dbraw/zinc/11/53/02/1170115302.db2.gz GHNNZYVVHDQLFA-QWRGUYRKSA-N 2 0 186.343 2.153 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+]C1CCC(C)CC1 1261423038 1170116027 /nfs/dbraw/zinc/11/60/27/1170116027.db2.gz MSGULAUNMMJUSC-MOENNCHZSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@@H](C)C[NH2+]CC1CCCCC1 1325267721 1170228882 /nfs/dbraw/zinc/22/88/82/1170228882.db2.gz OEEJLLWPRNTNTB-LLVKDONJSA-N 2 0 198.354 2.012 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+]CC1CCCCC1 1325267727 1170230319 /nfs/dbraw/zinc/23/03/19/1170230319.db2.gz OEEJLLWPRNTNTB-NSHDSACASA-N 2 0 198.354 2.012 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCC[C@@H](C)C1 1325716633 1170231870 /nfs/dbraw/zinc/23/18/70/1170231870.db2.gz IVKRPMAPMFBENH-UTUOFQBUSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCC[C@H](C)C1 1325716632 1170232231 /nfs/dbraw/zinc/23/22/31/1170232231.db2.gz IVKRPMAPMFBENH-TUAOUCFPSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)C1CCC1 1325743100 1170232340 /nfs/dbraw/zinc/23/23/40/1170232340.db2.gz JQOQCFBCWPWFRP-PWSUYJOCSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@@H](C)C1 1325716630 1170232529 /nfs/dbraw/zinc/23/25/29/1170232529.db2.gz IVKRPMAPMFBENH-IJLUTSLNSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+]CCC(C)(C)C 1325320926 1170232956 /nfs/dbraw/zinc/23/29/56/1170232956.db2.gz RHKRVIHXJUCGRN-SNVBAGLBSA-N 2 0 186.343 2.010 20 0 AEADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)C1CCC1 1325743099 1170233001 /nfs/dbraw/zinc/23/30/01/1170233001.db2.gz JQOQCFBCWPWFRP-JQWIXIFHSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@H](CC)[NH2+]CC[C@@H](C)[NH2+]C 1325741977 1170233006 /nfs/dbraw/zinc/23/30/06/1170233006.db2.gz PHSNVUYWTGVGQD-MNOVXSKESA-N 2 0 186.343 2.153 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+]CCC(C)(C)C 1325320922 1170233027 /nfs/dbraw/zinc/23/30/27/1170233027.db2.gz RHKRVIHXJUCGRN-JTQLQIEISA-N 2 0 186.343 2.010 20 0 AEADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)C1CCC1 1325743098 1170233119 /nfs/dbraw/zinc/23/31/19/1170233119.db2.gz JQOQCFBCWPWFRP-CMPLNLGQSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@@H](CC)[NH2+]CC[C@H](C)[NH2+]C 1325741979 1170233315 /nfs/dbraw/zinc/23/33/15/1170233315.db2.gz PHSNVUYWTGVGQD-WDEREUQCSA-N 2 0 186.343 2.153 20 0 AEADRP CCC[C@H](CC)[NH2+]CC[C@H](C)[NH2+]C 1325741978 1170233608 /nfs/dbraw/zinc/23/36/08/1170233608.db2.gz PHSNVUYWTGVGQD-QWRGUYRKSA-N 2 0 186.343 2.153 20 0 AEADRP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)C1CCC1 1325743101 1170233822 /nfs/dbraw/zinc/23/38/22/1170233822.db2.gz JQOQCFBCWPWFRP-ZYHUDNBSSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@@H](CC)[NH2+]CC[C@@H](C)[NH2+]C 1325741976 1170233933 /nfs/dbraw/zinc/23/39/33/1170233933.db2.gz PHSNVUYWTGVGQD-GHMZBOCLSA-N 2 0 186.343 2.153 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@H](C)C1 1325716631 1170233944 /nfs/dbraw/zinc/23/39/44/1170233944.db2.gz IVKRPMAPMFBENH-QJPTWQEYSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)C1CCC1 1326036697 1170234277 /nfs/dbraw/zinc/23/42/77/1170234277.db2.gz UDCZDCFRGOHEKJ-PWSUYJOCSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)C(C)(C)C 1326036005 1170234790 /nfs/dbraw/zinc/23/47/90/1170234790.db2.gz NPMIIUKMVDIYTG-ZJUUUORDSA-N 2 0 186.343 2.009 20 0 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CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)C1CCC1 1326036696 1170235550 /nfs/dbraw/zinc/23/55/50/1170235550.db2.gz UDCZDCFRGOHEKJ-JQWIXIFHSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)C(C)(C)C 1326036002 1170235656 /nfs/dbraw/zinc/23/56/56/1170235656.db2.gz NPMIIUKMVDIYTG-NXEZZACHSA-N 2 0 186.343 2.009 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)C(C)(C)C 1326036003 1170235713 /nfs/dbraw/zinc/23/57/13/1170235713.db2.gz NPMIIUKMVDIYTG-UWVGGRQHSA-N 2 0 186.343 2.009 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C)C1 1326038233 1170235862 /nfs/dbraw/zinc/23/58/62/1170235862.db2.gz PHWSSUILLORQIH-SDDRHHMPSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H](C)C1 1326038235 1170235946 /nfs/dbraw/zinc/23/59/46/1170235946.db2.gz PHWSSUILLORQIH-WOPDTQHZSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)CCC1CC1 1326039063 1170236717 /nfs/dbraw/zinc/23/67/17/1170236717.db2.gz RTTXIYFGLZXQBM-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)C1 1326038232 1170237187 /nfs/dbraw/zinc/23/71/87/1170237187.db2.gz PHWSSUILLORQIH-GRYCIOLGSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)CCC1CC1 1326039064 1170237248 /nfs/dbraw/zinc/23/72/48/1170237248.db2.gz RTTXIYFGLZXQBM-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)C(C)C 1327839182 1170254285 /nfs/dbraw/zinc/25/42/85/1170254285.db2.gz FWFOCLWUVGAZOO-GHMZBOCLSA-N 2 0 186.343 2.009 20 0 AEADRP CC[C@@H]([NH2+]CC[C@H](C)[NH2+]C)C(C)C 1327839186 1170254429 /nfs/dbraw/zinc/25/44/29/1170254429.db2.gz FWFOCLWUVGAZOO-WDEREUQCSA-N 2 0 186.343 2.009 20 0 AEADRP CCC[C@@H](CC)[NH2+]C[C@H](C)C[NH2+]C 1327839398 1170254639 /nfs/dbraw/zinc/25/46/39/1170254639.db2.gz LYTHJNURKDTZNF-GHMZBOCLSA-N 2 0 186.343 2.010 20 0 AEADRP CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)C(C)C 1327839184 1170254868 /nfs/dbraw/zinc/25/48/68/1170254868.db2.gz FWFOCLWUVGAZOO-MNOVXSKESA-N 2 0 186.343 2.009 20 0 AEADRP 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CCC[C@@H](CC)[NH2+]C[C@@H](C)C[NH2+]C 1327839402 1170256136 /nfs/dbraw/zinc/25/61/36/1170256136.db2.gz LYTHJNURKDTZNF-WDEREUQCSA-N 2 0 186.343 2.010 20 0 AEADRP CCC[C@H](CC)[NH2+]C[C@H](C)C[NH2+]C 1327839399 1170256249 /nfs/dbraw/zinc/25/62/49/1170256249.db2.gz LYTHJNURKDTZNF-MNOVXSKESA-N 2 0 186.343 2.010 20 0 AEADRP CCC[C@H](CC)[NH2+]C[C@@H](C)C[NH2+]C 1327839400 1170256466 /nfs/dbraw/zinc/25/64/66/1170256466.db2.gz LYTHJNURKDTZNF-QWRGUYRKSA-N 2 0 186.343 2.010 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCC1(C)C 1327838393 1170256495 /nfs/dbraw/zinc/25/64/95/1170256495.db2.gz GNZASEYSAXKCJC-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+]CCCC(C)C 1331417987 1170290263 /nfs/dbraw/zinc/29/02/63/1170290263.db2.gz FPRJXIQDKTZTDN-LLVKDONJSA-N 2 0 186.343 2.010 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+]CCCC(C)C 1331417990 1170290538 /nfs/dbraw/zinc/29/05/38/1170290538.db2.gz FPRJXIQDKTZTDN-NSHDSACASA-N 2 0 186.343 2.010 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C(C)C)C1CC1 1331836988 1170294882 /nfs/dbraw/zinc/29/48/82/1170294882.db2.gz YLIVDDFOCAQBJZ-JQWIXIFHSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@H](C(C)C)C1CC1 1331836990 1170294929 /nfs/dbraw/zinc/29/49/29/1170294929.db2.gz YLIVDDFOCAQBJZ-ZYHUDNBSSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C(C)C)C1CC1 1331836987 1170295712 /nfs/dbraw/zinc/29/57/12/1170295712.db2.gz YLIVDDFOCAQBJZ-CMPLNLGQSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C(C)C)C1CC1 1331836989 1170296424 /nfs/dbraw/zinc/29/64/24/1170296424.db2.gz YLIVDDFOCAQBJZ-PWSUYJOCSA-N 2 0 198.354 2.009 20 0 AEADRP CCC(CC)C[NH2+]CC[C@@H](C)[NH2+]C 1345105624 1170470125 /nfs/dbraw/zinc/47/01/25/1170470125.db2.gz RXMSMDXAJRIKHV-SNVBAGLBSA-N 2 0 186.343 2.010 20 0 AEADRP CCC(CC)C[NH2+]CC[C@H](C)[NH2+]C 1345105606 1170470383 /nfs/dbraw/zinc/47/03/83/1170470383.db2.gz RXMSMDXAJRIKHV-JTQLQIEISA-N 2 0 186.343 2.010 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)C1CCCC1 1348851539 1170505687 /nfs/dbraw/zinc/50/56/87/1170505687.db2.gz CKGCJCVDPXRYRO-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)CC1CCC1 1348839623 1170505790 /nfs/dbraw/zinc/50/57/90/1170505790.db2.gz DJCQXGCQBREQKL-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)C1CCCC1 1348852789 1170505899 /nfs/dbraw/zinc/50/58/99/1170505899.db2.gz OXNICQFWXBUUTA-MNOVXSKESA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)CC1CCC1 1348839622 1170506202 /nfs/dbraw/zinc/50/62/02/1170506202.db2.gz DJCQXGCQBREQKL-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)[NH2+]C 1348853105 1170506208 /nfs/dbraw/zinc/50/62/08/1170506208.db2.gz RFUJCTKYKSBZLP-TUAOUCFPSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)C1CCCC1 1348852790 1170506260 /nfs/dbraw/zinc/50/62/60/1170506260.db2.gz OXNICQFWXBUUTA-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)CC1CCC1 1348839620 1170506453 /nfs/dbraw/zinc/50/64/53/1170506453.db2.gz DJCQXGCQBREQKL-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)C1CCCC1 1348851540 1170506485 /nfs/dbraw/zinc/50/64/85/1170506485.db2.gz CKGCJCVDPXRYRO-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)[NH2+]C 1348853102 1170506699 /nfs/dbraw/zinc/50/66/99/1170506699.db2.gz RFUJCTKYKSBZLP-IJLUTSLNSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)C1CCCC1 1348852787 1170506708 /nfs/dbraw/zinc/50/67/08/1170506708.db2.gz OXNICQFWXBUUTA-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)C1CCCC1 1348851537 1170506716 /nfs/dbraw/zinc/50/67/16/1170506716.db2.gz CKGCJCVDPXRYRO-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)CC1CCC1 1348839621 1170506824 /nfs/dbraw/zinc/50/68/24/1170506824.db2.gz DJCQXGCQBREQKL-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)[NH2+]C 1348853106 1170506899 /nfs/dbraw/zinc/50/68/99/1170506899.db2.gz RFUJCTKYKSBZLP-UTUOFQBUSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)[NH2+]C 1348853103 1170507032 /nfs/dbraw/zinc/50/70/32/1170507032.db2.gz RFUJCTKYKSBZLP-QJPTWQEYSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)C1CCCC1 1348851538 1170507331 /nfs/dbraw/zinc/50/73/31/1170507331.db2.gz CKGCJCVDPXRYRO-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)C1CCCC1 1348852792 1170507467 /nfs/dbraw/zinc/50/74/67/1170507467.db2.gz OXNICQFWXBUUTA-WDEREUQCSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)CCC[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1 1575566467 1170687982 /nfs/dbraw/zinc/68/79/82/1170687982.db2.gz WKVSAOCJEUZJMJ-UTUOFQBUSA-N 2 0 198.354 2.281 20 0 AEADRP CC(C)CCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1 1575566466 1170688743 /nfs/dbraw/zinc/68/87/43/1170688743.db2.gz WKVSAOCJEUZJMJ-SDDRHHMPSA-N 2 0 198.354 2.281 20 0 AEADRP CC(C)=CCC[NH2+]CC1(C[NH3+])CCC1 1575390973 1170689225 /nfs/dbraw/zinc/68/92/25/1170689225.db2.gz CVVWFQOYAIGGTF-UHFFFAOYSA-N 2 0 196.338 2.061 20 0 AEADRP CC(C)CCCC[NH2+][C@H]1C[C@H](C[NH3+])C1 1575570315 1170689275 /nfs/dbraw/zinc/68/92/75/1170689275.db2.gz HHMDIVHAXKUKPC-HAQNSBGRSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)C[NH2+][C@H]1CC[C@H](C[NH3+])CC1 1575134586 1170689462 /nfs/dbraw/zinc/68/94/62/1170689462.db2.gz FYFHRZFFLUXRPX-XYPYZODXSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](CC1CCCC1)[NH2+][C@H]1C[C@H]([NH3+])C1 1575932909 1170690593 /nfs/dbraw/zinc/69/05/93/1170690593.db2.gz CNMGVPCGXVZVGK-DLOVCJGASA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H](CC1CCCC1)[NH2+][C@H]1C[C@H]([NH3+])C1 1575932910 1170691630 /nfs/dbraw/zinc/69/16/30/1170691630.db2.gz CNMGVPCGXVZVGK-YUSALJHKSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CC2(CCCC2)C1 1576105856 1170693250 /nfs/dbraw/zinc/69/32/50/1170693250.db2.gz WKBOYPHNXXQVNG-NXEZZACHSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]([NH2+]C1CC2(CCCC2)C1)[C@@H](C)[NH3+] 1576105859 1170694382 /nfs/dbraw/zinc/69/43/82/1170694382.db2.gz WKBOYPHNXXQVNG-ZJUUUORDSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]([NH3+])[C@@H](C)[NH2+]C1CC2(CCCC2)C1 1576105858 1170694514 /nfs/dbraw/zinc/69/45/14/1170694514.db2.gz WKBOYPHNXXQVNG-VHSXEESVSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]([NH3+])[C@H](C)[NH2+]C1CC2(CCCC2)C1 1576105857 1170695214 /nfs/dbraw/zinc/69/52/14/1170695214.db2.gz WKBOYPHNXXQVNG-UWVGGRQHSA-N 2 0 196.338 2.035 20 0 AEADRP CC1(C)CCC([NH2+][C@H]2C[C@@H]([NH3+])C2)CC1 1576421198 1170700204 /nfs/dbraw/zinc/70/02/04/1170700204.db2.gz JFEIKRZWGFODPB-JGZJWPJOSA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@H](C)C[NH2+]C[C@H]1CCC[NH2+]CC1 1576992852 1170711831 /nfs/dbraw/zinc/71/18/31/1170711831.db2.gz PHZNIKRHNVHHON-RYUDHWBXSA-N 2 0 198.354 2.012 20 0 AEADRP CC[C@]1(C)CCC[C@H]1[NH2+][C@@H](C)CC[NH3+] 1577204813 1170712153 /nfs/dbraw/zinc/71/21/53/1170712153.db2.gz BDKZLDZCAWSZCS-QJPTWQEYSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H](C)C[NH2+]C[C@@H]1CCC[NH2+]CC1 1576992854 1170712184 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AEADRP C[C@H]([NH2+]CCCC[NH3+])c1ccccc1 37714759 571796504 /nfs/dbraw/zinc/79/65/04/571796504.db2.gz VPTCPPXYIZRWMR-NSHDSACASA-N 2 0 192.306 2.076 20 0 AEADRP C[C@H]1CCC[C@@H](C)[C@@H]1[NH2+]CCCC[NH3+] 252439602 571834868 /nfs/dbraw/zinc/83/48/68/571834868.db2.gz QLQQYQUSLXETEA-GDNZZTSVSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)[N@H+](CC)C[C@H]1CCC[NH2+]C1 252437775 571837801 /nfs/dbraw/zinc/83/78/01/571837801.db2.gz XNLLFNXKGHKHKU-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@@H](C)[N@H+](CC)C[C@H]1CCC[NH2+]C1 252437774 571835995 /nfs/dbraw/zinc/83/59/95/571835995.db2.gz XNLLFNXKGHKHKU-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C(C)C 300055998 571891854 /nfs/dbraw/zinc/89/18/54/571891854.db2.gz MHKWWUDCICUILI-VXGBXAGGSA-N 2 0 198.354 2.105 20 0 AEADRP CC[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C(C)C 300055997 571892030 /nfs/dbraw/zinc/89/20/30/571892030.db2.gz MHKWWUDCICUILI-NEPJUHHUSA-N 2 0 198.354 2.105 20 0 AEADRP CCCC[NH2+]CCN1CCC(C)CC1 40771510 571960385 /nfs/dbraw/zinc/96/03/85/571960385.db2.gz JEYKZRAJELUZIJ-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP C[C@@H]([NH3+])C[N@H+](C)CCCC(C)(C)C 300845377 571984053 /nfs/dbraw/zinc/98/40/53/571984053.db2.gz KHRIZTZBZKSBOG-SNVBAGLBSA-N 2 0 186.343 2.092 20 0 AEADRP CC[N@H+](CCCCCC[NH3+])CC1CC1 68947663 572013701 /nfs/dbraw/zinc/01/37/01/572013701.db2.gz BEAHBGCCOUDYKZ-UHFFFAOYSA-N 2 0 198.354 2.237 20 0 AEADRP CCCC[C@@H](CC)[NH2+]CCCC[NH3+] 68986717 572013911 /nfs/dbraw/zinc/01/39/11/572013911.db2.gz NRGPIGMOYMWHTL-LLVKDONJSA-N 2 0 186.343 2.284 20 0 AEADRP [NH3+]CCCC[NH2+]CCC1CCCCC1 82013521 572015985 /nfs/dbraw/zinc/01/59/85/572015985.db2.gz NDXHKEBPVXSEOA-UHFFFAOYSA-N 2 0 198.354 2.285 20 0 AEADRP CC[C@H](C)C[NH+]1CCC([C@@H](C)[NH3+])CC1 82474709 572035700 /nfs/dbraw/zinc/03/57/00/572035700.db2.gz CDBWKRKARFXZPG-WDEREUQCSA-N 2 0 198.354 2.092 20 0 AEADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC[NH3+] 235588695 572035977 /nfs/dbraw/zinc/03/59/77/572035977.db2.gz NCCFWEPULOAWNB-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP CCCCCC[N@H+](C)C1CC[NH2+]CC1 36300881 572054146 /nfs/dbraw/zinc/05/41/46/572054146.db2.gz KEFOYBBJOSWCQM-UHFFFAOYSA-N 2 0 198.354 2.251 20 0 AEADRP CC[N@H+](CCCCCC[NH3+])C(C)C 37082443 572085678 /nfs/dbraw/zinc/08/56/78/572085678.db2.gz NHJOAXJYCYAUAQ-UHFFFAOYSA-N 2 0 186.343 2.236 20 0 AEADRP CC[N@H+](CCC1CC[NH2+]CC1)C(C)C 37082392 572087034 /nfs/dbraw/zinc/08/70/34/572087034.db2.gz NSFCQUORRALDPL-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP CC[N@H+](CCCCCCC[NH3+])C1CC1 37080135 572087672 /nfs/dbraw/zinc/08/76/72/572087672.db2.gz XEGBQSJZGLUEKG-UHFFFAOYSA-N 2 0 198.354 2.380 20 0 AEADRP CCC[N@H+](CC)CCCCCC[NH3+] 37095220 572089854 /nfs/dbraw/zinc/08/98/54/572089854.db2.gz VEYNXEJWRDIIEG-UHFFFAOYSA-N 2 0 186.343 2.237 20 0 AEADRP CCC[N@H+](C)CCCCCCC[NH3+] 37098557 572095226 /nfs/dbraw/zinc/09/52/26/572095226.db2.gz FYRBYRWHVVJKLN-UHFFFAOYSA-N 2 0 186.343 2.237 20 0 AEADRP CC(C)C[N@H+](C)CCCCCC[NH3+] 37108762 572095270 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184.327 2.036 20 0 AEADRP CC(C)([NH3+])CC[NH2+]C1CCCCCC1 82773027 572109607 /nfs/dbraw/zinc/10/96/07/572109607.db2.gz ISECOUCCXYUXPV-UHFFFAOYSA-N 2 0 198.354 2.426 20 0 AEADRP CCCC[C@@H](C)[NH2+]CCC(C)(C)[NH3+] 82773323 572109866 /nfs/dbraw/zinc/10/98/66/572109866.db2.gz GEGCUOXTXJNCGT-SNVBAGLBSA-N 2 0 186.343 2.282 20 0 AEADRP C[C@@H]1CC([NH2+]CCCC[NH3+])C[C@@H](C)C1 82830204 572130323 /nfs/dbraw/zinc/13/03/23/572130323.db2.gz CJFXAYJHEMDKPS-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H]1CC([NH2+]CCCC[NH3+])C[C@H](C)C1 82830205 572130732 /nfs/dbraw/zinc/13/07/32/572130732.db2.gz CJFXAYJHEMDKPS-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH3+])CC[C@H]1C 82836879 572132344 /nfs/dbraw/zinc/13/23/44/572132344.db2.gz WSJGZKVTPPICTI-WOPDTQHZSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H]1C[C@H]([NH2+]CCCC[NH3+])CC[C@H]1C 82836881 572134258 /nfs/dbraw/zinc/13/42/58/572134258.db2.gz WSJGZKVTPPICTI-GRYCIOLGSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1CC[C@H]([NH2+]CCCC[NH3+])[C@H](C)C1 82858756 572154624 /nfs/dbraw/zinc/15/46/24/572154624.db2.gz ZXTJLGCKNGZULE-UTUOFQBUSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH3+])[C@H](C)C1 82858758 572155373 /nfs/dbraw/zinc/15/53/73/572155373.db2.gz ZXTJLGCKNGZULE-IJLUTSLNSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC[NH3+] 82858760 572155223 /nfs/dbraw/zinc/15/52/23/572155223.db2.gz JSBNKCKOKYUBNZ-GRYCIOLGSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1CCC[C@@H]([NH2+]CCCC[NH3+])[C@@H]1C 82858754 572155753 /nfs/dbraw/zinc/15/57/53/572155753.db2.gz QJSNFTBQGFNSNA-IJLUTSLNSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCCC[NH3+])C1 82858762 572156582 /nfs/dbraw/zinc/15/65/82/572156582.db2.gz JSBNKCKOKYUBNZ-IJLUTSLNSA-N 2 0 198.354 2.140 20 0 AEADRP CCCCCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 70020046 572165682 /nfs/dbraw/zinc/16/56/82/572165682.db2.gz MQXYLSGDJSAOLW-NWDGAFQWSA-N 2 0 198.354 2.378 20 0 AEADRP CCCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 70020040 572166507 /nfs/dbraw/zinc/16/65/07/572166507.db2.gz YLCNGZDWDRBZSH-NEPJUHHUSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 70020041 572167540 /nfs/dbraw/zinc/16/75/40/572167540.db2.gz YLCNGZDWDRBZSH-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 70020044 572167059 /nfs/dbraw/zinc/16/70/59/572167059.db2.gz MQXYLSGDJSAOLW-RYUDHWBXSA-N 2 0 198.354 2.378 20 0 AEADRP CCCCC[N@H+](CC)C1CC[NH2+]CC1 37653831 572168618 /nfs/dbraw/zinc/16/86/18/572168618.db2.gz IHZHPXFFYMUXGH-UHFFFAOYSA-N 2 0 198.354 2.251 20 0 AEADRP CCC1CCC([NH2+]CCCC[NH3+])CC1 37714666 572180649 /nfs/dbraw/zinc/18/06/49/572180649.db2.gz OCKUDMYOAHIJKT-UHFFFAOYSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@H]([NH2+]CCCC[NH3+])c1cccs1 37714807 572181154 /nfs/dbraw/zinc/18/11/54/572181154.db2.gz BZCAZJYHFVVCAN-VIFPVBQESA-N 2 0 198.335 2.138 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+]CCCC[NH3+] 37715069 572181923 /nfs/dbraw/zinc/18/19/23/572181923.db2.gz FJRJMMMWLJAVBS-LLVKDONJSA-N 2 0 186.343 2.140 20 0 AEADRP CCCCC[C@@H](C)[NH2+]CCCC[NH3+] 37715190 572181973 /nfs/dbraw/zinc/18/19/73/572181973.db2.gz UPIJONKPJDDKHJ-LLVKDONJSA-N 2 0 186.343 2.284 20 0 AEADRP C[C@H]([NH2+]CCCC[NH3+])C1CCCCC1 37715462 572182409 /nfs/dbraw/zinc/18/24/09/572182409.db2.gz NZCKOVKEIOJNAX-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP CC(C)CC[C@H](C)[NH2+]CCCC[NH3+] 37715070 572182487 /nfs/dbraw/zinc/18/24/87/572182487.db2.gz FJRJMMMWLJAVBS-NSHDSACASA-N 2 0 186.343 2.140 20 0 AEADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCC[NH3+] 37714698 572182510 /nfs/dbraw/zinc/18/25/10/572182510.db2.gz QLQQYQUSLXETEA-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H]1CCC[C@H](C)C1[NH2+]CCCC[NH3+] 37714697 572183096 /nfs/dbraw/zinc/18/30/96/572183096.db2.gz QLQQYQUSLXETEA-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]([NH2+]CCCC[NH3+])C1CCCCC1 37715463 572183360 /nfs/dbraw/zinc/18/33/60/572183360.db2.gz NZCKOVKEIOJNAX-LLVKDONJSA-N 2 0 198.354 2.284 20 0 AEADRP CCCCC[C@H](C)[NH2+]CCCC[NH3+] 37715191 572183480 /nfs/dbraw/zinc/18/34/80/572183480.db2.gz UPIJONKPJDDKHJ-NSHDSACASA-N 2 0 186.343 2.284 20 0 AEADRP C[C@@H]([NH2+]CCCC[NH3+])c1cccs1 37714808 572183534 /nfs/dbraw/zinc/18/35/34/572183534.db2.gz BZCAZJYHFVVCAN-SECBINFHSA-N 2 0 198.335 2.138 20 0 AEADRP CCCC(CCC)[NH2+]CCCC[NH3+] 37715066 572183715 /nfs/dbraw/zinc/18/37/15/572183715.db2.gz FROZSECXQROALG-UHFFFAOYSA-N 2 0 186.343 2.284 20 0 AEADRP CCC(CC)(CC)[NH2+]C[C@H]1CCC[NH2+]1 83388676 572207623 /nfs/dbraw/zinc/20/76/23/572207623.db2.gz GIAFHHPFXKGNNC-LLVKDONJSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCCC[N@@H+]1CCC[C@H](C[NH3+])C1 20519811 572224378 /nfs/dbraw/zinc/22/43/78/572224378.db2.gz WGLRJFFUQOTKJG-GFCCVEGCSA-N 2 0 198.354 2.237 20 0 AEADRP CCCCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 20519810 572226989 /nfs/dbraw/zinc/22/69/89/572226989.db2.gz WGLRJFFUQOTKJG-LBPRGKRZSA-N 2 0 198.354 2.237 20 0 AEADRP CC[C@H](C)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 44527545 572242255 /nfs/dbraw/zinc/24/22/55/572242255.db2.gz XQNPILMPLWAGLS-QJPTWQEYSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 44527547 572242936 /nfs/dbraw/zinc/24/29/36/572242936.db2.gz XQNPILMPLWAGLS-SDDRHHMPSA-N 2 0 198.354 2.092 20 0 AEADRP CC1(C)CCCC[C@@H]1[NH2+]CCCC[NH3+] 86843847 572326272 /nfs/dbraw/zinc/32/62/72/572326272.db2.gz CXNMDERHUHVOKN-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP CC1(C)CCCC[C@H]1[NH2+]CCCC[NH3+] 86843851 572327838 /nfs/dbraw/zinc/32/78/38/572327838.db2.gz CXNMDERHUHVOKN-LLVKDONJSA-N 2 0 198.354 2.284 20 0 AEADRP CC[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])C(C)C 83607224 572346171 /nfs/dbraw/zinc/34/61/71/572346171.db2.gz YUPWCENTLKWKMA-VXGBXAGGSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@H]1CCC[N@@H+]1C[C@@H](C[NH3+])C(C)C 83607226 572347340 /nfs/dbraw/zinc/34/73/40/572347340.db2.gz YUPWCENTLKWKMA-NEPJUHHUSA-N 2 0 198.354 2.092 20 0 AEADRP CCCC[NH2+]C[C@@H]1CC[N@H+](CCC)C1 76453481 572347684 /nfs/dbraw/zinc/34/76/84/572347684.db2.gz LFAAGZANPNKUMF-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CCCC[NH2+]C[C@H]1CC[N@H+](CCC)C1 76453486 572348413 /nfs/dbraw/zinc/34/84/13/572348413.db2.gz LFAAGZANPNKUMF-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP CCCCCCN1CCC[C@H]([NH2+]C)C1 53201388 572425635 /nfs/dbraw/zinc/42/56/35/572425635.db2.gz LCKYJAFHCIYRKS-LBPRGKRZSA-N 2 0 198.354 2.251 20 0 AEADRP CCCCC[NH2+]CC1CC[NH+](C)CC1 44515940 572441728 /nfs/dbraw/zinc/44/17/28/572441728.db2.gz UYHFPBLZVHPBGX-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP C[NH2+]CCN(C)CCC1CCCCC1 87473693 572507599 /nfs/dbraw/zinc/50/75/99/572507599.db2.gz QFVAREDIYCPUBY-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CCCCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84218161 572514985 /nfs/dbraw/zinc/51/49/85/572514985.db2.gz BMBNTUWLZUVHHN-VXGBXAGGSA-N 2 0 198.354 2.284 20 0 AEADRP CCCCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 84218166 572515696 /nfs/dbraw/zinc/51/56/96/572515696.db2.gz BMBNTUWLZUVHHN-NWDGAFQWSA-N 2 0 198.354 2.284 20 0 AEADRP CCCCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] 84218169 572516093 /nfs/dbraw/zinc/51/60/93/572516093.db2.gz BMBNTUWLZUVHHN-RYUDHWBXSA-N 2 0 198.354 2.284 20 0 AEADRP CCCCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84218164 572516166 /nfs/dbraw/zinc/51/61/66/572516166.db2.gz BMBNTUWLZUVHHN-NEPJUHHUSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@@H](CN)[NH2+]C1CCCCCCC1 235124759 572528960 /nfs/dbraw/zinc/52/89/60/572528960.db2.gz LEERGCSJUUQFHI-JTQLQIEISA-N 2 0 184.327 2.036 20 0 AEADRP [NH3+]CCCC[NH2+]CC1CCCCCC1 84329116 572536369 /nfs/dbraw/zinc/53/63/69/572536369.db2.gz ZUBVEOCHTAAUGF-UHFFFAOYSA-N 2 0 198.354 2.285 20 0 AEADRP C[C@@H]1CCC[C@@H](C[NH2+]CCCC[NH3+])C1 84341769 572537799 /nfs/dbraw/zinc/53/77/99/572537799.db2.gz FGCDQIIRZXEWHM-VXGBXAGGSA-N 2 0 198.354 2.141 20 0 AEADRP C[C@H]1CCC[C@@H](C[NH2+]CCCC[NH3+])C1 84341771 572538188 /nfs/dbraw/zinc/53/81/88/572538188.db2.gz FGCDQIIRZXEWHM-NWDGAFQWSA-N 2 0 198.354 2.141 20 0 AEADRP C[C@@H]1CCC[C@H](C[NH2+]CCCC[NH3+])C1 84341765 572538700 /nfs/dbraw/zinc/53/87/00/572538700.db2.gz FGCDQIIRZXEWHM-NEPJUHHUSA-N 2 0 198.354 2.141 20 0 AEADRP C[C@H]1CCC[C@H](C[NH2+]CCCC[NH3+])C1 84341767 572539576 /nfs/dbraw/zinc/53/95/76/572539576.db2.gz FGCDQIIRZXEWHM-RYUDHWBXSA-N 2 0 198.354 2.141 20 0 AEADRP [NH3+]C1CC([NH2+]CCC2CCCCC2)C1 87651631 572640270 /nfs/dbraw/zinc/64/02/70/572640270.db2.gz PNXNSIGOTWHPAO-UHFFFAOYSA-N 2 0 196.338 2.036 20 0 AEADRP CCCCC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] 54345855 572683241 /nfs/dbraw/zinc/68/32/41/572683241.db2.gz MVVLEWJDNIXVRE-WDEREUQCSA-N 2 0 186.343 2.140 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+]C1CCCCCC1 86070436 572854381 /nfs/dbraw/zinc/85/43/81/572854381.db2.gz MUAUNCDYWVEEOR-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCCCCC1 86070437 572854491 /nfs/dbraw/zinc/85/44/91/572854491.db2.gz MUAUNCDYWVEEOR-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H]1C 86012544 572855228 /nfs/dbraw/zinc/85/52/28/572855228.db2.gz FPUXZYSZTDVYQV-TXEJJXNPSA-N 2 0 198.354 2.093 20 0 AEADRP C[C@H]1C[NH+](CCCCCC[NH3+])C[C@@H]1C 86012545 572856744 /nfs/dbraw/zinc/85/67/44/572856744.db2.gz FPUXZYSZTDVYQV-RYUDHWBXSA-N 2 0 198.354 2.093 20 0 AEADRP C[C@@H]1C[NH+](CCCCCC[NH3+])C[C@H]1C 86012546 572857264 /nfs/dbraw/zinc/85/72/64/572857264.db2.gz FPUXZYSZTDVYQV-VXGBXAGGSA-N 2 0 198.354 2.093 20 0 AEADRP CCCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86402386 572931312 /nfs/dbraw/zinc/93/13/12/572931312.db2.gz ITUQLUZEUIVBSO-NWDGAFQWSA-N 2 0 198.354 2.426 20 0 AEADRP CCCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 86402387 572932446 /nfs/dbraw/zinc/93/24/46/572932446.db2.gz ITUQLUZEUIVBSO-RYUDHWBXSA-N 2 0 198.354 2.426 20 0 AEADRP CCCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 86402389 572932721 /nfs/dbraw/zinc/93/27/21/572932721.db2.gz ITUQLUZEUIVBSO-VXGBXAGGSA-N 2 0 198.354 2.426 20 0 AEADRP CC[C@@H](C)[C@H](C)[NH2+]CCC(C)(C)[NH3+] 308206699 572936419 /nfs/dbraw/zinc/93/64/19/572936419.db2.gz IMTUEAILTCOWMO-ZJUUUORDSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@@H](C)[C@@H](C)[NH2+]CCC(C)(C)[NH3+] 308206693 572936287 /nfs/dbraw/zinc/93/62/87/572936287.db2.gz IMTUEAILTCOWMO-NXEZZACHSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+]CCC(C)(C)[NH3+] 308206695 572936390 /nfs/dbraw/zinc/93/63/90/572936390.db2.gz IMTUEAILTCOWMO-UWVGGRQHSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+]CCC(C)(C)[NH3+] 308206697 572936733 /nfs/dbraw/zinc/93/67/33/572936733.db2.gz IMTUEAILTCOWMO-VHSXEESVSA-N 2 0 186.343 2.138 20 0 AEADRP CCCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 86727826 572974211 /nfs/dbraw/zinc/97/42/11/572974211.db2.gz IEROKPHGWLJMCC-RYUDHWBXSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 86727820 572974471 /nfs/dbraw/zinc/97/44/71/572974471.db2.gz IEROKPHGWLJMCC-VXGBXAGGSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 86727821 572974693 /nfs/dbraw/zinc/97/46/93/572974693.db2.gz IEROKPHGWLJMCC-NWDGAFQWSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 86727823 572975101 /nfs/dbraw/zinc/97/51/01/572975101.db2.gz IEROKPHGWLJMCC-NEPJUHHUSA-N 2 0 198.354 2.297 20 0 AEADRP C[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)[NH3+])C1 308473113 573003019 /nfs/dbraw/zinc/00/30/19/573003019.db2.gz AGYQASIOPKFPBP-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])C(C)(C)C 308220139 573003938 /nfs/dbraw/zinc/00/39/38/573003938.db2.gz NXJHKSSKFWJNHR-SECBINFHSA-N 2 0 186.343 2.138 20 0 AEADRP C[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)[NH3+])C1 308473107 573004070 /nfs/dbraw/zinc/00/40/70/573004070.db2.gz AGYQASIOPKFPBP-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CCC[C@H]([NH2+]CCC(C)(C)[NH3+])C1 308473111 573005550 /nfs/dbraw/zinc/00/55/50/573005550.db2.gz AGYQASIOPKFPBP-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)[NH3+])C1 308473109 573006957 /nfs/dbraw/zinc/00/69/57/573006957.db2.gz AGYQASIOPKFPBP-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)C[C@H](C)[NH2+]CCC(C)(C)[NH3+] 308221287 573008390 /nfs/dbraw/zinc/00/83/90/573008390.db2.gz OHEWWTXRHXBBOT-JTQLQIEISA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)C[C@@H](C)[NH2+]CCC(C)(C)[NH3+] 308221296 573009651 /nfs/dbraw/zinc/00/96/51/573009651.db2.gz OHEWWTXRHXBBOT-SNVBAGLBSA-N 2 0 186.343 2.138 20 0 AEADRP CCC[C@@H](CC)[NH2+]CCC(C)(C)[NH3+] 308233747 573039490 /nfs/dbraw/zinc/03/94/90/573039490.db2.gz UWNHHOPIOUYXTG-SNVBAGLBSA-N 2 0 186.343 2.282 20 0 AEADRP C[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 40725302 573154295 /nfs/dbraw/zinc/15/42/95/573154295.db2.gz NALSMXFGQGXNEA-GFCCVEGCSA-N 2 0 198.354 2.237 20 0 AEADRP C[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 40725304 573156858 /nfs/dbraw/zinc/15/68/58/573156858.db2.gz NALSMXFGQGXNEA-LBPRGKRZSA-N 2 0 198.354 2.237 20 0 AEADRP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C(C)(C)C)C1 129410968 573284922 /nfs/dbraw/zinc/28/49/22/573284922.db2.gz YZLNPVXQNFGUSV-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])C1CCCC1 308551397 573316099 /nfs/dbraw/zinc/31/60/99/573316099.db2.gz SCGLTYLBMLPTLR-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1CCCC1 308551398 573320003 /nfs/dbraw/zinc/32/00/03/573320003.db2.gz SCGLTYLBMLPTLR-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)[NH3+] 308557286 573345123 /nfs/dbraw/zinc/34/51/23/573345123.db2.gz UTDDECYGPHQTNQ-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)CC[NH2+]CCC(C)(C)[NH3+] 258767860 573541241 /nfs/dbraw/zinc/54/12/41/573541241.db2.gz AJKCWLFEBKLQJG-UHFFFAOYSA-N 2 0 186.343 2.140 20 0 AEADRP C[C@H](NCCC(C)(C)[NH3+])c1ccco1 308633163 573566568 /nfs/dbraw/zinc/56/65/68/573566568.db2.gz ZVQAFKBTJIRQQZ-VIFPVBQESA-N 2 0 196.294 2.058 20 0 AEADRP CCCC1CC[NH+](CC(C)(C)[NH3+])CC1 50906611 573577651 /nfs/dbraw/zinc/57/76/51/573577651.db2.gz RILCUXSLZHKRHX-UHFFFAOYSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CC[C@H]1C 308689212 573705241 /nfs/dbraw/zinc/70/52/41/573705241.db2.gz QWIBKBYAXKCLNB-UTUOFQBUSA-N 2 0 198.354 2.103 20 0 AEADRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]1C 308689198 573707695 /nfs/dbraw/zinc/70/76/95/573707695.db2.gz QWIBKBYAXKCLNB-IJLUTSLNSA-N 2 0 198.354 2.103 20 0 AEADRP CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]1C 308689208 573708169 /nfs/dbraw/zinc/70/81/69/573708169.db2.gz QWIBKBYAXKCLNB-TUAOUCFPSA-N 2 0 198.354 2.103 20 0 AEADRP CCCC[NH2+]C1CCC([NH+](C)C)CC1 308744195 573814683 /nfs/dbraw/zinc/81/46/83/573814683.db2.gz QKNZDUQUSCSIAD-UHFFFAOYSA-N 2 0 198.354 2.249 20 0 AEADRP CC(C)([NH3+])CC[NH2+]CC1CCCCC1 258970522 573848071 /nfs/dbraw/zinc/84/80/71/573848071.db2.gz UAMIJIDZBYRRJN-UHFFFAOYSA-N 2 0 198.354 2.284 20 0 AEADRP CC1(C)CC[N@H+](CCCCCC[NH3+])C1 87255095 573851387 /nfs/dbraw/zinc/85/13/87/573851387.db2.gz ICJHJPDOOIVSIS-UHFFFAOYSA-N 2 0 198.354 2.237 20 0 AEADRP CCCCC[C@@H](C)[NH2+]CCC[NH2+]C 43618953 573855324 /nfs/dbraw/zinc/85/53/24/573855324.db2.gz UITUXVBGBAAZAD-LLVKDONJSA-N 2 0 186.343 2.154 20 0 AEADRP CCCCCC[N@H+](C)CCC[NH2+]C 80827747 573911783 /nfs/dbraw/zinc/91/17/83/573911783.db2.gz OVTDCYFFEGLIEY-UHFFFAOYSA-N 2 0 186.343 2.108 20 0 AEADRP CC(C)CCC[NH2+]CCC(C)(C)[NH3+] 259024918 573945336 /nfs/dbraw/zinc/94/53/36/573945336.db2.gz ZBGSSMRHNJIXAY-UHFFFAOYSA-N 2 0 186.343 2.140 20 0 AEADRP CC[C@H](C)[C@H](C)[NH+]1CCC([NH2+]C)CC1 42556589 573970162 /nfs/dbraw/zinc/97/01/62/573970162.db2.gz ZFWZVTIWVCSBSF-QWRGUYRKSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@@H](C)[C@@H](C)[NH+]1CCC([NH2+]C)CC1 42556580 573970410 /nfs/dbraw/zinc/97/04/10/573970410.db2.gz ZFWZVTIWVCSBSF-GHMZBOCLSA-N 2 0 198.354 2.105 20 0 AEADRP CCCCC[C@H](C)[NH2+]CC(C)(C)[NH3+] 42574058 573981360 /nfs/dbraw/zinc/98/13/60/573981360.db2.gz SYDBNNUMNQKAGJ-JTQLQIEISA-N 2 0 186.343 2.282 20 0 AEADRP CCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])CC 42574144 573981396 /nfs/dbraw/zinc/98/13/96/573981396.db2.gz QPJWIPWCSKRVMK-GHMZBOCLSA-N 2 0 186.343 2.282 20 0 AEADRP CCCCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 42573893 573981947 /nfs/dbraw/zinc/98/19/47/573981947.db2.gz AGBKTWOXSJDRLO-NWDGAFQWSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCC[C@@H](C)[NH2+]CC(C)(C)[NH3+] 42574056 573982035 /nfs/dbraw/zinc/98/20/35/573982035.db2.gz SYDBNNUMNQKAGJ-SNVBAGLBSA-N 2 0 186.343 2.282 20 0 AEADRP CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 42573885 573982219 /nfs/dbraw/zinc/98/22/19/573982219.db2.gz AGBKTWOXSJDRLO-NEPJUHHUSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] 42574173 573983254 /nfs/dbraw/zinc/98/32/54/573983254.db2.gz ASWBIANPEZPQCZ-QWRGUYRKSA-N 2 0 186.343 2.282 20 0 AEADRP CCCCC[C@H](C)[NH2+]C[C@H]([NH3+])CC 42574146 573982629 /nfs/dbraw/zinc/98/26/29/573982629.db2.gz QPJWIPWCSKRVMK-WDEREUQCSA-N 2 0 186.343 2.282 20 0 AEADRP C[C@@H]([NH2+]C1CC([NH3+])C1)C1CCCCC1 87651878 573996471 /nfs/dbraw/zinc/99/64/71/573996471.db2.gz YVMKVTXMSLDZIB-OIKLOGQESA-N 2 0 196.338 2.035 20 0 AEADRP CCCC[N@H+](CC)C[C@@H]1CCC[NH2+]C1 19422752 486712292 /nfs/dbraw/zinc/71/22/92/486712292.db2.gz MSIIZAZBYRQGQL-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP CCCC[N@H+](CC)C[C@H]1CCC[NH2+]C1 19422754 486712319 /nfs/dbraw/zinc/71/23/19/486712319.db2.gz MSIIZAZBYRQGQL-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CCCCC[N@H+](CCC[NH3+])C(C)C 36731972 486717156 /nfs/dbraw/zinc/71/71/56/486717156.db2.gz GDRHJDSLGVNDIG-UHFFFAOYSA-N 2 0 186.343 2.236 20 0 AEADRP CCC(CC)C[N@H+](CC)CCC[NH3+] 36198943 486717295 /nfs/dbraw/zinc/71/72/95/486717295.db2.gz WOPOFLXPKKTING-UHFFFAOYSA-N 2 0 186.343 2.093 20 0 AEADRP CC(C)C[N@H+](CCC[NH3+])C1CCCC1 36883471 486717771 /nfs/dbraw/zinc/71/77/71/486717771.db2.gz WDEOOFHODVREAQ-UHFFFAOYSA-N 2 0 198.354 2.236 20 0 AEADRP CC[C@@H](C)[N@H+](CC)CC1CC[NH2+]CC1 37113419 486718893 /nfs/dbraw/zinc/71/88/93/486718893.db2.gz GGGSRUIRZONWAL-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[N@H+](CC)CC1CC[NH2+]CC1 37113420 486719413 /nfs/dbraw/zinc/71/94/13/486719413.db2.gz GGGSRUIRZONWAL-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP C[NH2+]CCC[N@H+](C)C1CCCCCC1 42409650 486725605 /nfs/dbraw/zinc/72/56/05/486725605.db2.gz PBEXQVSLIIOLJY-UHFFFAOYSA-N 2 0 198.354 2.251 20 0 AEADRP C[NH2+]CCC[N@H+](C)[C@H]1CCC[C@H](C)C1 42494590 486726281 /nfs/dbraw/zinc/72/62/81/486726281.db2.gz NPSGKSIUMYUBHS-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP C[NH2+]CCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 42494588 486726698 /nfs/dbraw/zinc/72/66/98/486726698.db2.gz NPSGKSIUMYUBHS-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CCC1CCC([N@H+](C)CCC[NH3+])CC1 42515296 486726865 /nfs/dbraw/zinc/72/68/65/486726865.db2.gz LERHJHUECKYKFH-UHFFFAOYSA-N 2 0 198.354 2.236 20 0 AEADRP C[NH2+]CCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 42494592 486727272 /nfs/dbraw/zinc/72/72/72/486727272.db2.gz NPSGKSIUMYUBHS-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP C[NH2+]CCC[N@H+](C)CC1CCCCC1 42494556 486727289 /nfs/dbraw/zinc/72/72/89/486727289.db2.gz HCKQBPRTUQEGLI-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP C[NH2+]CCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 42494594 486727513 /nfs/dbraw/zinc/72/75/13/486727513.db2.gz NPSGKSIUMYUBHS-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[NH2+]CC[NH2+]C1CCCCCC1 44651718 486729724 /nfs/dbraw/zinc/72/97/24/486729724.db2.gz DNASORMFGUWTQV-UHFFFAOYSA-N 2 0 198.354 2.298 20 0 AEADRP CC(C)[N@H+](C)CCC[NH2+]C1CCCC1 47888352 486730661 /nfs/dbraw/zinc/73/06/61/486730661.db2.gz QOXYSPBRVBJOQG-UHFFFAOYSA-N 2 0 198.354 2.249 20 0 AEADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCCCC1 49553454 486732035 /nfs/dbraw/zinc/73/20/35/486732035.db2.gz SLVZKGYKVHPGCQ-LLVKDONJSA-N 2 0 198.354 2.249 20 0 AEADRP CCC(CC)[NH2+][C@H](C)CC[NH+](C)C 49553130 486732140 /nfs/dbraw/zinc/73/21/40/486732140.db2.gz IAMVSDWYOKBEMT-SNVBAGLBSA-N 2 0 186.343 2.105 20 0 AEADRP CCC(CC)[NH2+][C@@H](C)CC[NH+](C)C 49553129 486732262 /nfs/dbraw/zinc/73/22/62/486732262.db2.gz IAMVSDWYOKBEMT-JTQLQIEISA-N 2 0 186.343 2.105 20 0 AEADRP C[C@H](c1cccs1)[N@H+](C)CCC[NH3+] 49717069 486733466 /nfs/dbraw/zinc/73/34/66/486733466.db2.gz RVJUTRZGYAEUJY-SECBINFHSA-N 2 0 198.335 2.090 20 0 AEADRP C[C@@H](c1ccccc1)[N@H+](C)CCC[NH3+] 49806946 486734662 /nfs/dbraw/zinc/73/46/62/486734662.db2.gz SITMXHFGLRQLCD-NSHDSACASA-N 2 0 192.306 2.028 20 0 AEADRP C[C@@H](c1cccs1)[N@H+](C)CCC[NH3+] 49717068 486734414 /nfs/dbraw/zinc/73/44/14/486734414.db2.gz RVJUTRZGYAEUJY-VIFPVBQESA-N 2 0 198.335 2.090 20 0 AEADRP C[C@H](c1ccccc1)[N@H+](C)CCC[NH3+] 49806947 486735019 /nfs/dbraw/zinc/73/50/19/486735019.db2.gz SITMXHFGLRQLCD-LLVKDONJSA-N 2 0 192.306 2.028 20 0 AEADRP CCCC[C@H](C)[NH2+]CC[NH2+]CCC 50890015 486738837 /nfs/dbraw/zinc/73/88/37/486738837.db2.gz YKGFMXLUCFWTAN-NSHDSACASA-N 2 0 186.343 2.154 20 0 AEADRP CCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C 50890034 486738929 /nfs/dbraw/zinc/73/89/29/486738929.db2.gz VMNXVWYSCAUUJC-GHMZBOCLSA-N 2 0 186.343 2.138 20 0 AEADRP CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 50889961 486738940 /nfs/dbraw/zinc/73/89/40/486738940.db2.gz WFOBISUSGBXQDX-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@@H](C)[NH2+]CC[NH2+]CCC 50890014 486739112 /nfs/dbraw/zinc/73/91/12/486739112.db2.gz YKGFMXLUCFWTAN-LLVKDONJSA-N 2 0 186.343 2.154 20 0 AEADRP CCCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 50889963 486739007 /nfs/dbraw/zinc/73/90/07/486739007.db2.gz WFOBISUSGBXQDX-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 50889962 486739078 /nfs/dbraw/zinc/73/90/78/486739078.db2.gz WFOBISUSGBXQDX-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@H](C)[NH2+]CC1([NH3+])CCCC1 50889974 486739082 /nfs/dbraw/zinc/73/90/82/486739082.db2.gz VTJXNEJFQHXILC-NSHDSACASA-N 2 0 198.354 2.426 20 0 AEADRP CCCC[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C 50890033 486739206 /nfs/dbraw/zinc/73/92/06/486739206.db2.gz VMNXVWYSCAUUJC-QWRGUYRKSA-N 2 0 186.343 2.138 20 0 AEADRP CCCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 50889964 486739217 /nfs/dbraw/zinc/73/92/17/486739217.db2.gz WFOBISUSGBXQDX-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@H](C)[NH2+]CCC[NH2+]C1CC1 50889978 486739225 /nfs/dbraw/zinc/73/92/25/486739225.db2.gz ALMBUWNWXYJPFZ-NSHDSACASA-N 2 0 198.354 2.297 20 0 AEADRP CCCC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 50889973 486739251 /nfs/dbraw/zinc/73/92/51/486739251.db2.gz VTJXNEJFQHXILC-LLVKDONJSA-N 2 0 198.354 2.426 20 0 AEADRP CCCC[C@@H](C)[NH2+]CCC[NH2+]C1CC1 50889977 486739489 /nfs/dbraw/zinc/73/94/89/486739489.db2.gz ALMBUWNWXYJPFZ-LLVKDONJSA-N 2 0 198.354 2.297 20 0 AEADRP CCCC[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C 50890035 486739558 /nfs/dbraw/zinc/73/95/58/486739558.db2.gz VMNXVWYSCAUUJC-WDEREUQCSA-N 2 0 186.343 2.138 20 0 AEADRP CCCC[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C 50890032 486739449 /nfs/dbraw/zinc/73/94/49/486739449.db2.gz VMNXVWYSCAUUJC-MNOVXSKESA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 52421348 486746391 /nfs/dbraw/zinc/74/63/91/486746391.db2.gz ZEOLPZMIDUBKHV-LBPRGKRZSA-N 2 0 198.354 2.249 20 0 AEADRP CC(C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 52421346 486746617 /nfs/dbraw/zinc/74/66/17/486746617.db2.gz ZEOLPZMIDUBKHV-GFCCVEGCSA-N 2 0 198.354 2.249 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H](C)C1 53388044 486748902 /nfs/dbraw/zinc/74/89/02/486748902.db2.gz OLGVGDKCJNUKKD-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C)C1 53388045 486749017 /nfs/dbraw/zinc/74/90/17/486749017.db2.gz OLGVGDKCJNUKKD-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1C 53388001 486749075 /nfs/dbraw/zinc/74/90/75/486749075.db2.gz CHIKOYOXSQIZBM-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H](C)C1 53388047 486749192 /nfs/dbraw/zinc/74/91/92/486749192.db2.gz OLGVGDKCJNUKKD-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+]CC1CCCCC1 53388037 486749366 /nfs/dbraw/zinc/74/93/66/486749366.db2.gz VJFVLUHBKYPZCQ-UHFFFAOYSA-N 2 0 198.354 2.156 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1C 53388003 486749547 /nfs/dbraw/zinc/74/95/47/486749547.db2.gz CHIKOYOXSQIZBM-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+]CCCC(C)C 53388067 486749632 /nfs/dbraw/zinc/74/96/32/486749632.db2.gz IMCAWVZVNFGULI-UHFFFAOYSA-N 2 0 186.343 2.012 20 0 AEADRP CCC[NH2+]CC[NH2+]C1CCC(C)CC1 53387992 486749699 /nfs/dbraw/zinc/74/96/99/486749699.db2.gz BQZFBGJMDKCIHG-UHFFFAOYSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+]CCC(C)(C)C 53388074 486749832 /nfs/dbraw/zinc/74/98/32/486749832.db2.gz IVOZNRXGPOSMQO-UHFFFAOYSA-N 2 0 186.343 2.012 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H](C)C1 53388042 486749979 /nfs/dbraw/zinc/74/99/79/486749979.db2.gz OLGVGDKCJNUKKD-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1C 53388005 486749817 /nfs/dbraw/zinc/74/98/17/486749817.db2.gz CHIKOYOXSQIZBM-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1C 53387999 486750403 /nfs/dbraw/zinc/75/04/03/486750403.db2.gz CHIKOYOXSQIZBM-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 53655386 486751925 /nfs/dbraw/zinc/75/19/25/486751925.db2.gz MXZVOKWWMUSPCJ-LBPRGKRZSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 53655391 486752023 /nfs/dbraw/zinc/75/20/23/486752023.db2.gz MXZVOKWWMUSPCJ-GFCCVEGCSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H]([NH2+]CCC[NH+](C)C)C1CCCC1 54077442 486754715 /nfs/dbraw/zinc/75/47/15/486754715.db2.gz DCPPNUXKWROCRN-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP C[C@H]([NH2+]CCC[NH+](C)C)C1CCCC1 54077441 486754824 /nfs/dbraw/zinc/75/48/24/486754824.db2.gz DCPPNUXKWROCRN-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@@H](C)C[NH2+]CC1([NH3+])CCCCC1 54488709 486758671 /nfs/dbraw/zinc/75/86/71/486758671.db2.gz HFWYWNLEENCHAU-LLVKDONJSA-N 2 0 198.354 2.284 20 0 AEADRP CC[C@H](C)C[NH2+]CC1([NH3+])CCCCC1 54488711 486759008 /nfs/dbraw/zinc/75/90/08/486759008.db2.gz HFWYWNLEENCHAU-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP CC[C@H](C)C[NH2+]CC1(C)CC[NH2+]CC1 62841962 486767276 /nfs/dbraw/zinc/76/72/76/486767276.db2.gz GIDFAGGHLQXSSU-NSHDSACASA-N 2 0 198.354 2.012 20 0 AEADRP CC(C)(C)C[NH2+]CC1(C)CC[NH2+]CC1 62841767 486767345 /nfs/dbraw/zinc/76/73/45/486767345.db2.gz JJZBMNNAWKQCCA-UHFFFAOYSA-N 2 0 198.354 2.012 20 0 AEADRP CC[C@@H](C)C[NH2+]CC1(C)CC[NH2+]CC1 62841961 486767506 /nfs/dbraw/zinc/76/75/06/486767506.db2.gz GIDFAGGHLQXSSU-LLVKDONJSA-N 2 0 198.354 2.012 20 0 AEADRP CC[C@@H](C)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 62867956 486767521 /nfs/dbraw/zinc/76/75/21/486767521.db2.gz CVCQVBINPIFCOH-NEPJUHHUSA-N 2 0 198.354 2.012 20 0 AEADRP CCC1(CC)CC[NH+](CCC[NH3+])CC1 62952257 486767593 /nfs/dbraw/zinc/76/75/93/486767593.db2.gz SDMJPSBMOXRKNP-UHFFFAOYSA-N 2 0 198.354 2.237 20 0 AEADRP CC[C@@H](C)C[NH2+]C[C@]1(C)CCC[NH2+]C1 62867954 486767640 /nfs/dbraw/zinc/76/76/40/486767640.db2.gz CVCQVBINPIFCOH-VXGBXAGGSA-N 2 0 198.354 2.012 20 0 AEADRP CC(C)(C)C[NH2+]C[C@]1(C)CCC[NH2+]C1 62862316 486767658 /nfs/dbraw/zinc/76/76/58/486767658.db2.gz HHXDFSIJHMMGBZ-GFCCVEGCSA-N 2 0 198.354 2.012 20 0 AEADRP CC(C)(C)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 62862315 486767721 /nfs/dbraw/zinc/76/77/21/486767721.db2.gz HHXDFSIJHMMGBZ-LBPRGKRZSA-N 2 0 198.354 2.012 20 0 AEADRP CC[C@H](C)C[NH2+]C[C@]1(C)CCC[NH2+]C1 62867955 486767727 /nfs/dbraw/zinc/76/77/27/486767727.db2.gz CVCQVBINPIFCOH-NWDGAFQWSA-N 2 0 198.354 2.012 20 0 AEADRP CC[C@H](C)C[NH2+]C[C@@]1(C)CCC[NH2+]C1 62867957 486767796 /nfs/dbraw/zinc/76/77/96/486767796.db2.gz CVCQVBINPIFCOH-RYUDHWBXSA-N 2 0 198.354 2.012 20 0 AEADRP CCC[N@H+](C)C[C@H]1CC[NH+](C(C)C)C1 673714455 486776263 /nfs/dbraw/zinc/77/62/63/486776263.db2.gz ZDYFMYIRNIGSRB-GFCCVEGCSA-N 2 0 198.354 2.059 20 0 AEADRP CCC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 673713494 486776447 /nfs/dbraw/zinc/77/64/47/486776447.db2.gz DVOZOUOAZUJBMK-GFCCVEGCSA-N 2 0 198.354 2.060 20 0 AEADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C(C)C)C1 673714456 486776892 /nfs/dbraw/zinc/77/68/92/486776892.db2.gz ZDYFMYIRNIGSRB-LBPRGKRZSA-N 2 0 198.354 2.059 20 0 AEADRP CCC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 673713495 486777061 /nfs/dbraw/zinc/77/70/61/486777061.db2.gz DVOZOUOAZUJBMK-LBPRGKRZSA-N 2 0 198.354 2.060 20 0 AEADRP CC(C)[C@@H]1CCC[N@H+](CCC[NH3+])CC1 70622061 486788995 /nfs/dbraw/zinc/78/89/95/486788995.db2.gz GBDDSHDIXABQEB-GFCCVEGCSA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)[C@H]1CCC[N@H+](CCC[NH3+])CC1 70622062 486789095 /nfs/dbraw/zinc/78/90/95/486789095.db2.gz GBDDSHDIXABQEB-LBPRGKRZSA-N 2 0 198.354 2.093 20 0 AEADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C)C1 70643673 486791392 /nfs/dbraw/zinc/79/13/92/486791392.db2.gz ZYILBMPPXGQAFV-GRYCIOLGSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CC[C@@H](C)C1 70643671 486791470 /nfs/dbraw/zinc/79/14/70/486791470.db2.gz ZYILBMPPXGQAFV-WOPDTQHZSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C 674753779 486810161 /nfs/dbraw/zinc/81/01/61/486810161.db2.gz NLOOQEMZYZSYOL-LBPRGKRZSA-N 2 0 198.354 2.201 20 0 AEADRP CC(C)[N@H+](C)CC[C@H]1CCCC[NH+]1C 674753778 486810618 /nfs/dbraw/zinc/81/06/18/486810618.db2.gz NLOOQEMZYZSYOL-GFCCVEGCSA-N 2 0 198.354 2.201 20 0 AEADRP CC(C)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 82596577 486820313 /nfs/dbraw/zinc/82/03/13/486820313.db2.gz RGXJNRUALYYCIR-LBPRGKRZSA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)CC[N@@H+]1CCCC[C@H]1CC[NH3+] 82594427 486819203 /nfs/dbraw/zinc/81/92/03/486819203.db2.gz IZVNMUGMIHUMRE-LBPRGKRZSA-N 2 0 198.354 2.236 20 0 AEADRP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CC[NH3+] 82594406 486819245 /nfs/dbraw/zinc/81/92/45/486819245.db2.gz SNRJFFUNOLUCNR-NWDGAFQWSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCC[N@@H+]1CCCC[C@H]1CC[NH3+] 82594369 486819322 /nfs/dbraw/zinc/81/93/22/486819322.db2.gz GZGUCVIZDFLQJZ-LBPRGKRZSA-N 2 0 198.354 2.380 20 0 AEADRP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CC[NH3+] 82594403 486819416 /nfs/dbraw/zinc/81/94/16/486819416.db2.gz SNRJFFUNOLUCNR-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] 82594425 486819609 /nfs/dbraw/zinc/81/96/09/486819609.db2.gz IZVNMUGMIHUMRE-GFCCVEGCSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCC[N@@H+]1CCCC[C@@H]1CC[NH3+] 82594366 486819680 /nfs/dbraw/zinc/81/96/80/486819680.db2.gz GZGUCVIZDFLQJZ-GFCCVEGCSA-N 2 0 198.354 2.380 20 0 AEADRP CC(C)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 82596575 486820268 /nfs/dbraw/zinc/82/02/68/486820268.db2.gz RGXJNRUALYYCIR-GFCCVEGCSA-N 2 0 198.354 2.093 20 0 AEADRP CCCCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82645402 486821491 /nfs/dbraw/zinc/82/14/91/486821491.db2.gz MMADHBRUNHBDPJ-NEPJUHHUSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 82645403 486821582 /nfs/dbraw/zinc/82/15/82/486821582.db2.gz MMADHBRUNHBDPJ-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 82645436 486821996 /nfs/dbraw/zinc/82/19/96/486821996.db2.gz ROQIUAMEASAYEP-VXGBXAGGSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82645435 486822299 /nfs/dbraw/zinc/82/22/99/486822299.db2.gz ROQIUAMEASAYEP-NEPJUHHUSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82645627 486822737 /nfs/dbraw/zinc/82/27/37/486822737.db2.gz XWBZBTUPGYJCRV-TUAOUCFPSA-N 2 0 198.354 2.092 20 0 AEADRP CC[NH2+]CC1CC[NH+]([C@@H](C)CC)CC1 82645664 486822759 /nfs/dbraw/zinc/82/27/59/486822759.db2.gz OJNJSXXNQXTUDP-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP CC[NH2+]CC1CC[NH+]([C@H](C)CC)CC1 82645663 486822987 /nfs/dbraw/zinc/82/29/87/486822987.db2.gz OJNJSXXNQXTUDP-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)C1CC1 83056342 486830607 /nfs/dbraw/zinc/83/06/07/486830607.db2.gz CHIAXARXDNLGET-HTAVTVPLSA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)C1CC1 83056339 486830789 /nfs/dbraw/zinc/83/07/89/486830789.db2.gz CHIAXARXDNLGET-MCIGGMRASA-N 2 0 196.338 2.035 20 0 AEADRP CCC(CC)(CC)[NH2+]C[C@@H]1CC[NH2+]C1 83388609 486833603 /nfs/dbraw/zinc/83/36/03/486833603.db2.gz CDOABBCJJAFGKY-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CCC(CC)(CC)[NH2+]CCC[NH2+]C 83388688 486834155 /nfs/dbraw/zinc/83/41/55/486834155.db2.gz XPPQPZXBAPRXAG-UHFFFAOYSA-N 2 0 186.343 2.154 20 0 AEADRP CCC(CC)(CC)[NH2+]C[C@H]1CC[NH2+]C1 83388610 486834205 /nfs/dbraw/zinc/83/42/05/486834205.db2.gz CDOABBCJJAFGKY-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+]CCC[N@@H+]1CCCC(C)(C)CC1 83680451 486840519 /nfs/dbraw/zinc/84/05/19/486840519.db2.gz RJNYDDFSMYRXOW-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CCCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 84215466 486854677 /nfs/dbraw/zinc/85/46/77/486854677.db2.gz MDWAXMYGZSBSTI-VXGBXAGGSA-N 2 0 198.354 2.284 20 0 AEADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 84215470 486854762 /nfs/dbraw/zinc/85/47/62/486854762.db2.gz MDWAXMYGZSBSTI-NWDGAFQWSA-N 2 0 198.354 2.284 20 0 AEADRP CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 84215477 486855077 /nfs/dbraw/zinc/85/50/77/486855077.db2.gz MHIPMAVAUQXVFS-QJPTWQEYSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 84215468 486855156 /nfs/dbraw/zinc/85/51/56/486855156.db2.gz MDWAXMYGZSBSTI-NEPJUHHUSA-N 2 0 198.354 2.284 20 0 AEADRP CCCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] 84215472 486855435 /nfs/dbraw/zinc/85/54/35/486855435.db2.gz MDWAXMYGZSBSTI-RYUDHWBXSA-N 2 0 198.354 2.284 20 0 AEADRP CCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 84215481 486855466 /nfs/dbraw/zinc/85/54/66/486855466.db2.gz MHIPMAVAUQXVFS-TUAOUCFPSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 84215859 486855857 /nfs/dbraw/zinc/85/58/57/486855857.db2.gz JTSXILOWDOADEI-QJPTWQEYSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 84220302 486855863 /nfs/dbraw/zinc/85/58/63/486855863.db2.gz VKUFWZGPZYBKAX-NWDGAFQWSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84220298 486856055 /nfs/dbraw/zinc/85/60/55/486856055.db2.gz VKUFWZGPZYBKAX-NEPJUHHUSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] 84216364 486856066 /nfs/dbraw/zinc/85/60/66/486856066.db2.gz HZFPUABHRGDLPC-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 84215865 486856124 /nfs/dbraw/zinc/85/61/24/486856124.db2.gz JTSXILOWDOADEI-TUAOUCFPSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 84216746 486856162 /nfs/dbraw/zinc/85/61/62/486856162.db2.gz HJHSUHXPPYRUBY-TUAOUCFPSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 84216362 486856192 /nfs/dbraw/zinc/85/61/92/486856192.db2.gz HZFPUABHRGDLPC-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] 84215505 486856224 /nfs/dbraw/zinc/85/62/24/486856224.db2.gz QEAPWQTZHZIPAS-RYUDHWBXSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 84216743 486856369 /nfs/dbraw/zinc/85/63/69/486856369.db2.gz HJHSUHXPPYRUBY-QJPTWQEYSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 84216360 486856432 /nfs/dbraw/zinc/85/64/32/486856432.db2.gz HZFPUABHRGDLPC-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 84215498 486856472 /nfs/dbraw/zinc/85/64/72/486856472.db2.gz QEAPWQTZHZIPAS-VXGBXAGGSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 84215500 486856479 /nfs/dbraw/zinc/85/64/79/486856479.db2.gz QEAPWQTZHZIPAS-NEPJUHHUSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 84215502 486856498 /nfs/dbraw/zinc/85/64/98/486856498.db2.gz QEAPWQTZHZIPAS-NWDGAFQWSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 84216358 486856583 /nfs/dbraw/zinc/85/65/83/486856583.db2.gz HZFPUABHRGDLPC-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84220293 486856603 /nfs/dbraw/zinc/85/66/03/486856603.db2.gz VKUFWZGPZYBKAX-VXGBXAGGSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] 84220304 486856715 /nfs/dbraw/zinc/85/67/15/486856715.db2.gz VKUFWZGPZYBKAX-RYUDHWBXSA-N 2 0 198.354 2.140 20 0 AEADRP CCCC[N@H+](CC)CC[C@@H]1CC[NH2+]C1 84384501 486859936 /nfs/dbraw/zinc/85/99/36/486859936.db2.gz GBRJWGLXRHTOED-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CCCC[N@H+](CC)CC[C@H]1CC[NH2+]C1 84384503 486860109 /nfs/dbraw/zinc/86/01/09/486860109.db2.gz GBRJWGLXRHTOED-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP CCC[C@H](C)[N@H+](C)CC[C@@H]1CC[NH2+]C1 84384843 486860193 /nfs/dbraw/zinc/86/01/93/486860193.db2.gz GSEUKJUKOMDSHK-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[C@@H](C)[N@H+](C)CC[C@@H]1CC[NH2+]C1 84384841 486860211 /nfs/dbraw/zinc/86/02/11/486860211.db2.gz GSEUKJUKOMDSHK-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[NH+](CCC)CC[C@@H]1CC[NH2+]C1 84384481 486860411 /nfs/dbraw/zinc/86/04/11/486860411.db2.gz RTMGLJNUUHDXFP-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CC[C@@H](C)[N@H+](CC)CC[C@@H]1CC[NH2+]C1 84384709 486860454 /nfs/dbraw/zinc/86/04/54/486860454.db2.gz GGFHDXWLVUXJOG-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[N@H+](CC)CC[C@@H]1CC[NH2+]C1 84384714 486860488 /nfs/dbraw/zinc/86/04/88/486860488.db2.gz GGFHDXWLVUXJOG-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[NH+](CCC)CC[C@H]1CC[NH2+]C1 84384484 486860500 /nfs/dbraw/zinc/86/05/00/486860500.db2.gz RTMGLJNUUHDXFP-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP CCCC[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 84385669 486860975 /nfs/dbraw/zinc/86/09/75/486860975.db2.gz DKJBOYZYUMTJRM-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 84385666 486861037 /nfs/dbraw/zinc/86/10/37/486861037.db2.gz DKJBOYZYUMTJRM-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 84385673 486861064 /nfs/dbraw/zinc/86/10/64/486861064.db2.gz DKJBOYZYUMTJRM-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 84385662 486861570 /nfs/dbraw/zinc/86/15/70/486861570.db2.gz DKJBOYZYUMTJRM-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)(C)[NH2+]CC[NH2+]C1(C)CCCC1 86137947 486874397 /nfs/dbraw/zinc/87/43/97/486874397.db2.gz IMIDGTKOJMPGAK-UHFFFAOYSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 86401711 486877387 /nfs/dbraw/zinc/87/73/87/486877387.db2.gz RUWDJZCLGHXRHP-GHMZBOCLSA-N 2 0 184.327 2.036 20 0 AEADRP CCC(CC)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86401640 486877437 /nfs/dbraw/zinc/87/74/37/486877437.db2.gz URDOKVLUIZNBNG-GXSJLCMTSA-N 2 0 184.327 2.035 20 0 AEADRP CCC(CC)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 86401644 486877556 /nfs/dbraw/zinc/87/75/56/486877556.db2.gz URDOKVLUIZNBNG-MWLCHTKSSA-N 2 0 184.327 2.035 20 0 AEADRP CCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86401707 486877605 /nfs/dbraw/zinc/87/76/05/486877605.db2.gz RUWDJZCLGHXRHP-WDEREUQCSA-N 2 0 184.327 2.036 20 0 AEADRP CCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 86401709 486877740 /nfs/dbraw/zinc/87/77/40/486877740.db2.gz RUWDJZCLGHXRHP-QWRGUYRKSA-N 2 0 184.327 2.036 20 0 AEADRP CCC(CC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 86401642 486877796 /nfs/dbraw/zinc/87/77/96/486877796.db2.gz URDOKVLUIZNBNG-ONGXEEELSA-N 2 0 184.327 2.035 20 0 AEADRP CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86401729 486877890 /nfs/dbraw/zinc/87/78/90/486877890.db2.gz IKUQMKGUWNCFCA-GARJFASQSA-N 2 0 184.327 2.035 20 0 AEADRP CCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 86401735 486877987 /nfs/dbraw/zinc/87/79/87/486877987.db2.gz IKUQMKGUWNCFCA-DCAQKATOSA-N 2 0 184.327 2.035 20 0 AEADRP CCC(CC)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 86401646 486878175 /nfs/dbraw/zinc/87/81/75/486878175.db2.gz URDOKVLUIZNBNG-KOLCDFICSA-N 2 0 184.327 2.035 20 0 AEADRP CCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 86401713 486878191 /nfs/dbraw/zinc/87/81/91/486878191.db2.gz RUWDJZCLGHXRHP-MNOVXSKESA-N 2 0 184.327 2.036 20 0 AEADRP CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86403927 486878631 /nfs/dbraw/zinc/87/86/31/486878631.db2.gz VLBUCKPAQRBTMY-SDDRHHMPSA-N 2 0 198.354 2.425 20 0 AEADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)C 86403599 486878664 /nfs/dbraw/zinc/87/86/64/486878664.db2.gz XKNHFFDNDSKLTC-TUAOUCFPSA-N 2 0 198.354 2.281 20 0 AEADRP CC(C)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 86403423 486878735 /nfs/dbraw/zinc/87/87/35/486878735.db2.gz XXYCSVXDJKAHKM-VXGBXAGGSA-N 2 0 198.354 2.282 20 0 AEADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 86402708 486878745 /nfs/dbraw/zinc/87/87/45/486878745.db2.gz FEYNXROUWWOTPM-NEPJUHHUSA-N 2 0 196.338 2.036 20 0 AEADRP CCCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 86403941 486878802 /nfs/dbraw/zinc/87/88/02/486878802.db2.gz YHHMLTLBLNSHMP-SRVKXCTJSA-N 2 0 198.354 2.425 20 0 AEADRP CCC[C@H](CC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 86403932 486878843 /nfs/dbraw/zinc/87/88/43/486878843.db2.gz VLBUCKPAQRBTMY-SRVKXCTJSA-N 2 0 198.354 2.425 20 0 AEADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 86402706 486878884 /nfs/dbraw/zinc/87/88/84/486878884.db2.gz FEYNXROUWWOTPM-VXGBXAGGSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86404140 486878891 /nfs/dbraw/zinc/87/88/91/486878891.db2.gz WLXNIEBWEPQLNJ-KXNHARMFSA-N 2 0 196.338 2.035 20 0 AEADRP CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86403936 486878907 /nfs/dbraw/zinc/87/89/07/486878907.db2.gz YHHMLTLBLNSHMP-SDDRHHMPSA-N 2 0 198.354 2.425 20 0 AEADRP CC(C)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 86403422 486878942 /nfs/dbraw/zinc/87/89/42/486878942.db2.gz XXYCSVXDJKAHKM-RYUDHWBXSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)C 86403602 486878963 /nfs/dbraw/zinc/87/89/63/486878963.db2.gz XKNHFFDNDSKLTC-SRVKXCTJSA-N 2 0 198.354 2.281 20 0 AEADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 86402703 486879067 /nfs/dbraw/zinc/87/90/67/486879067.db2.gz FEYNXROUWWOTPM-RYUDHWBXSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86404318 486879135 /nfs/dbraw/zinc/87/91/35/486879135.db2.gz IBWGGOCDMUJKPY-ADEWGFFLSA-N 2 0 196.338 2.035 20 0 AEADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 86402702 486879145 /nfs/dbraw/zinc/87/91/45/486879145.db2.gz FEYNXROUWWOTPM-NWDGAFQWSA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 86403425 486879165 /nfs/dbraw/zinc/87/91/65/486879165.db2.gz XXYCSVXDJKAHKM-NEPJUHHUSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86403583 486879217 /nfs/dbraw/zinc/87/92/17/486879217.db2.gz RNXJVVHCFZJSQM-FIQHERPVSA-N 2 0 198.354 2.281 20 0 AEADRP CC(C)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86403420 486879282 /nfs/dbraw/zinc/87/92/82/486879282.db2.gz XXYCSVXDJKAHKM-NWDGAFQWSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 86404322 486880013 /nfs/dbraw/zinc/88/00/13/486880013.db2.gz IBWGGOCDMUJKPY-USWWRNFRSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCCC1 86494778 486881104 /nfs/dbraw/zinc/88/11/04/486881104.db2.gz LRVDUNHHZZTETR-CMPLNLGQSA-N 2 0 196.338 2.049 20 0 AEADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCCC1 86494774 486881266 /nfs/dbraw/zinc/88/12/66/486881266.db2.gz LRVDUNHHZZTETR-JQWIXIFHSA-N 2 0 196.338 2.049 20 0 AEADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC1 86500443 486881299 /nfs/dbraw/zinc/88/12/99/486881299.db2.gz LBJXWJPKLOKRJQ-JQWIXIFHSA-N 2 0 196.338 2.049 20 0 AEADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCCC1 86494779 486881471 /nfs/dbraw/zinc/88/14/71/486881471.db2.gz LRVDUNHHZZTETR-ZYHUDNBSSA-N 2 0 196.338 2.049 20 0 AEADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCCC1 86494775 486881508 /nfs/dbraw/zinc/88/15/08/486881508.db2.gz LRVDUNHHZZTETR-PWSUYJOCSA-N 2 0 196.338 2.049 20 0 AEADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC1 86500444 486881711 /nfs/dbraw/zinc/88/17/11/486881711.db2.gz LBJXWJPKLOKRJQ-PWSUYJOCSA-N 2 0 196.338 2.049 20 0 AEADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC1 86500445 486881853 /nfs/dbraw/zinc/88/18/53/486881853.db2.gz LBJXWJPKLOKRJQ-CMPLNLGQSA-N 2 0 196.338 2.049 20 0 AEADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC1 86500446 486882073 /nfs/dbraw/zinc/88/20/73/486882073.db2.gz LBJXWJPKLOKRJQ-ZYHUDNBSSA-N 2 0 196.338 2.049 20 0 AEADRP CC[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 86662823 486882840 /nfs/dbraw/zinc/88/28/40/486882840.db2.gz ODLFHMWVFJTLAX-MNOVXSKESA-N 2 0 196.338 2.049 20 0 AEADRP CC[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 86662822 486882590 /nfs/dbraw/zinc/88/25/90/486882590.db2.gz ODLFHMWVFJTLAX-WDEREUQCSA-N 2 0 196.338 2.049 20 0 AEADRP CC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 86662821 486882643 /nfs/dbraw/zinc/88/26/43/486882643.db2.gz ODLFHMWVFJTLAX-GHMZBOCLSA-N 2 0 196.338 2.049 20 0 AEADRP CC[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH2+]CC1 86700840 486882821 /nfs/dbraw/zinc/88/28/21/486882821.db2.gz PXDZWLLMDNJXDY-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)C(C)C 86700862 486882899 /nfs/dbraw/zinc/88/28/99/486882899.db2.gz FZVPWXRTBFTRMF-LBPRGKRZSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H](C)[C@H](C)[NH2+]CC1CC[NH2+]CC1 86700846 486883000 /nfs/dbraw/zinc/88/30/00/486883000.db2.gz PXDZWLLMDNJXDY-MNOVXSKESA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 86662824 486883021 /nfs/dbraw/zinc/88/30/21/486883021.db2.gz ODLFHMWVFJTLAX-QWRGUYRKSA-N 2 0 196.338 2.049 20 0 AEADRP CCC[C@@H](CC)[NH2+]CC1CC[NH2+]CC1 86701027 486883210 /nfs/dbraw/zinc/88/32/10/486883210.db2.gz HESNVDXFGLWUGY-GFCCVEGCSA-N 2 0 198.354 2.154 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+]CC1CC[NH2+]CC1 86700843 486883239 /nfs/dbraw/zinc/88/32/39/486883239.db2.gz PXDZWLLMDNJXDY-WDEREUQCSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@H](CC)[NH2+]CC1CC[NH2+]CC1 86701030 486883169 /nfs/dbraw/zinc/88/31/69/486883169.db2.gz HESNVDXFGLWUGY-LBPRGKRZSA-N 2 0 198.354 2.154 20 0 AEADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)C(C)C 86700864 486883357 /nfs/dbraw/zinc/88/33/57/486883357.db2.gz FZVPWXRTBFTRMF-GFCCVEGCSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+]CC1CC[NH2+]CC1 86700850 486883449 /nfs/dbraw/zinc/88/34/49/486883449.db2.gz PXDZWLLMDNJXDY-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 86725388 486884342 /nfs/dbraw/zinc/88/43/42/486884342.db2.gz HZMSWUBKGHFMLY-NWDGAFQWSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 86725396 486884458 /nfs/dbraw/zinc/88/44/58/486884458.db2.gz HZMSWUBKGHFMLY-RYUDHWBXSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 86725391 486884809 /nfs/dbraw/zinc/88/48/09/486884809.db2.gz HZMSWUBKGHFMLY-NEPJUHHUSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 86725387 486884937 /nfs/dbraw/zinc/88/49/37/486884937.db2.gz HZMSWUBKGHFMLY-VXGBXAGGSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](CC)[NH2+]C1CCC([NH3+])CC1 86729681 486885544 /nfs/dbraw/zinc/88/55/44/486885544.db2.gz NWRDONKLMVOSOC-CXQJBGSLSA-N 2 0 198.354 2.425 20 0 AEADRP CCC[C@@H](CC)[NH2+]C1CCC([NH3+])CC1 86729680 486886198 /nfs/dbraw/zinc/88/61/98/486886198.db2.gz NWRDONKLMVOSOC-MOENNCHZSA-N 2 0 198.354 2.425 20 0 AEADRP C[C@H](CC1CC1)[NH2+]C1CCC([NH3+])CC1 86730225 486886213 /nfs/dbraw/zinc/88/62/13/486886213.db2.gz PZXJZQFPXSGIDO-OIKLOGQESA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H](CC1CC1)[NH2+]C1CCC([NH3+])CC1 86730222 486886402 /nfs/dbraw/zinc/88/64/02/486886402.db2.gz PZXJZQFPXSGIDO-GCVQQVDUSA-N 2 0 196.338 2.035 20 0 AEADRP CCC([NH3+])(CC)C[NH2+]C1CCCCC1 86814442 486887209 /nfs/dbraw/zinc/88/72/09/486887209.db2.gz HWKFCYSWXHOVEQ-UHFFFAOYSA-N 2 0 198.354 2.426 20 0 AEADRP CCC([NH3+])(CC)C[NH2+]CC(C)(C)C 86814474 486887218 /nfs/dbraw/zinc/88/72/18/486887218.db2.gz VYZJOVMFEXOXTC-UHFFFAOYSA-N 2 0 186.343 2.140 20 0 AEADRP CCC([NH3+])(CC)C[NH2+]C1CCCC1 86814457 486887283 /nfs/dbraw/zinc/88/72/83/486887283.db2.gz GZXNKRRDDGBKSM-UHFFFAOYSA-N 2 0 184.327 2.036 20 0 AEADRP CC[C@@H](C)C[NH2+]CC([NH3+])(CC)CC 86814727 486887513 /nfs/dbraw/zinc/88/75/13/486887513.db2.gz ZABIYRUNALKXMA-SNVBAGLBSA-N 2 0 186.343 2.140 20 0 AEADRP CC[C@H](C)C[NH2+]CC([NH3+])(CC)CC 86814729 486887595 /nfs/dbraw/zinc/88/75/95/486887595.db2.gz ZABIYRUNALKXMA-JTQLQIEISA-N 2 0 186.343 2.140 20 0 AEADRP CCC(CC)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 86884302 486889557 /nfs/dbraw/zinc/88/95/57/486889557.db2.gz IJYYJRHIXFFXDU-PWSUYJOCSA-N 2 0 198.354 2.092 20 0 AEADRP CCC(CC)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 86884304 486889600 /nfs/dbraw/zinc/88/96/00/486889600.db2.gz IJYYJRHIXFFXDU-ZYHUDNBSSA-N 2 0 198.354 2.092 20 0 AEADRP CCC(CC)[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 87156852 486891790 /nfs/dbraw/zinc/89/17/90/486891790.db2.gz VLKBNICNTMSWHP-FOSCPWQOSA-N 2 0 196.338 2.048 20 0 AEADRP CCC[C@H](CC)[NH2+]C[C@@H]1CCC[NH2+]C1 87647068 486898951 /nfs/dbraw/zinc/89/89/51/486898951.db2.gz DMNLRRPMYKJIJB-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[NH2+]C1 87647066 486898966 /nfs/dbraw/zinc/89/89/66/486898966.db2.gz DMNLRRPMYKJIJB-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C(C)C 87646864 486899095 /nfs/dbraw/zinc/89/90/95/486899095.db2.gz GHMBMXWWWSJPSG-RYUDHWBXSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 87646847 486899125 /nfs/dbraw/zinc/89/91/25/486899125.db2.gz GTXVCOMNTYQORP-SDDRHHMPSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C(C)C 87646860 486899405 /nfs/dbraw/zinc/89/94/05/486899405.db2.gz GHMBMXWWWSJPSG-NEPJUHHUSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 87646844 486899416 /nfs/dbraw/zinc/89/94/16/486899416.db2.gz GTXVCOMNTYQORP-QJPTWQEYSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C(C)C 87646862 486899471 /nfs/dbraw/zinc/89/94/71/486899471.db2.gz GHMBMXWWWSJPSG-VXGBXAGGSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)CCC[NH2+]C[C@H]1CCC[NH2+]C1 87646778 486899486 /nfs/dbraw/zinc/89/94/86/486899486.db2.gz XTNRNALYMIQNSB-GFCCVEGCSA-N 2 0 198.354 2.012 20 0 AEADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C(C)C 87646866 486899498 /nfs/dbraw/zinc/89/94/98/486899498.db2.gz GHMBMXWWWSJPSG-NWDGAFQWSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@@H](CC)[NH2+]C[C@H]1CCC[NH2+]C1 87647070 486899514 /nfs/dbraw/zinc/89/95/14/486899514.db2.gz DMNLRRPMYKJIJB-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[C@H](CC)[NH2+]C[C@H]1CCC[NH2+]C1 87647072 486899520 /nfs/dbraw/zinc/89/95/20/486899520.db2.gz DMNLRRPMYKJIJB-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)CCC[NH2+]C[C@@H]1CCC[NH2+]C1 87646776 486899652 /nfs/dbraw/zinc/89/96/52/486899652.db2.gz XTNRNALYMIQNSB-LBPRGKRZSA-N 2 0 198.354 2.012 20 0 AEADRP CCCC[C@@H](C)[NH2+]CC1([NH3+])CCC1 88052090 486907859 /nfs/dbraw/zinc/90/78/59/486907859.db2.gz YERXPAGLUBTNKS-SNVBAGLBSA-N 2 0 184.327 2.036 20 0 AEADRP CCCC[C@H](C)[NH2+]CC1([NH3+])CCC1 88052091 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C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CCC1 221070342 487031913 /nfs/dbraw/zinc/03/19/13/487031913.db2.gz PKPUBFYKDHWSKY-WCQGTBRESA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CCC1 221070204 487032096 /nfs/dbraw/zinc/03/20/96/487032096.db2.gz PKPUBFYKDHWSKY-MVWJERBFSA-N 2 0 196.338 2.035 20 0 AEADRP CCC(C)(C)[NH2+]CC[NH2+]C(C)(C)C 224496719 487039184 /nfs/dbraw/zinc/03/91/84/487039184.db2.gz RCWPTKAEBMDART-UHFFFAOYSA-N 2 0 186.343 2.153 20 0 AEADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 224290877 487039497 /nfs/dbraw/zinc/03/94/97/487039497.db2.gz KNLXTCCITNOVBP-NEPJUHHUSA-N 2 0 198.354 2.093 20 0 AEADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 224290916 487040070 /nfs/dbraw/zinc/04/00/70/487040070.db2.gz KNLXTCCITNOVBP-RYUDHWBXSA-N 2 0 198.354 2.093 20 0 AEADRP CCC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 682071063 487042778 /nfs/dbraw/zinc/04/27/78/487042778.db2.gz NVCXQZQMYHSXCC-VXGBXAGGSA-N 2 0 198.354 2.059 20 0 AEADRP CCC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 682071061 487043165 /nfs/dbraw/zinc/04/31/65/487043165.db2.gz NVCXQZQMYHSXCC-NWDGAFQWSA-N 2 0 198.354 2.059 20 0 AEADRP CCC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 682071062 487043190 /nfs/dbraw/zinc/04/31/90/487043190.db2.gz NVCXQZQMYHSXCC-RYUDHWBXSA-N 2 0 198.354 2.059 20 0 AEADRP CCC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 682071060 487043283 /nfs/dbraw/zinc/04/32/83/487043283.db2.gz NVCXQZQMYHSXCC-NEPJUHHUSA-N 2 0 198.354 2.059 20 0 AEADRP CC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 226016271 487045441 /nfs/dbraw/zinc/04/54/41/487045441.db2.gz BYZODUDTWPPNSJ-SDDRHHMPSA-N 2 0 198.354 2.092 20 0 AEADRP CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 226008692 487045494 /nfs/dbraw/zinc/04/54/94/487045494.db2.gz WYQVEGUUHOWXQB-NWDGAFQWSA-N 2 0 198.354 2.236 20 0 AEADRP CCCC[C@@H](CCC)[NH2+][C@H]1CC[NH2+]C1 226008594 487045513 /nfs/dbraw/zinc/04/55/13/487045513.db2.gz VUHZDZWULDIQOA-NEPJUHHUSA-N 2 0 198.354 2.297 20 0 AEADRP CCCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C1 226008603 487045651 /nfs/dbraw/zinc/04/56/51/487045651.db2.gz VUHZDZWULDIQOA-RYUDHWBXSA-N 2 0 198.354 2.297 20 0 AEADRP CCCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C1 226008582 487045737 /nfs/dbraw/zinc/04/57/37/487045737.db2.gz VUHZDZWULDIQOA-NWDGAFQWSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 226008704 487045754 /nfs/dbraw/zinc/04/57/54/487045754.db2.gz WYQVEGUUHOWXQB-RYUDHWBXSA-N 2 0 198.354 2.236 20 0 AEADRP CCCC[C@@H](CCC)[NH2+][C@@H]1CC[NH2+]C1 226008570 487045965 /nfs/dbraw/zinc/04/59/65/487045965.db2.gz VUHZDZWULDIQOA-VXGBXAGGSA-N 2 0 198.354 2.297 20 0 AEADRP C[C@H]1CCCC[C@H]1[NH2+]C[C@H](C)N(C)C 226271978 487047693 /nfs/dbraw/zinc/04/76/93/487047693.db2.gz OCUXYOZLFMKBDL-SDDRHHMPSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)N(C)C 226271806 487047951 /nfs/dbraw/zinc/04/79/51/487047951.db2.gz UVAWYUMOITVXMT-WOPDTQHZSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@H]1CCCC[C@@H]1[NH2+]C[C@H](C)N(C)C 226271987 487048092 /nfs/dbraw/zinc/04/80/92/487048092.db2.gz OCUXYOZLFMKBDL-SRVKXCTJSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)N(C)C 226271797 487048189 /nfs/dbraw/zinc/04/81/89/487048189.db2.gz UVAWYUMOITVXMT-GRYCIOLGSA-N 2 0 198.354 2.105 20 0 AEADRP CCC(CC)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 227055402 487053611 /nfs/dbraw/zinc/05/36/11/487053611.db2.gz IJYYJRHIXFFXDU-JQWIXIFHSA-N 2 0 198.354 2.092 20 0 AEADRP CCC(CC)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 227055391 487054302 /nfs/dbraw/zinc/05/43/02/487054302.db2.gz IJYYJRHIXFFXDU-CMPLNLGQSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C 227730728 487055560 /nfs/dbraw/zinc/05/55/60/487055560.db2.gz BWBIMQWSVBOFNN-GHMZBOCLSA-N 2 0 186.343 2.090 20 0 AEADRP CC[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C 227730733 487055605 /nfs/dbraw/zinc/05/56/05/487055605.db2.gz BWBIMQWSVBOFNN-WDEREUQCSA-N 2 0 186.343 2.090 20 0 AEADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C 228950538 487062982 /nfs/dbraw/zinc/06/29/82/487062982.db2.gz JJQGQUGMWPTFIY-HBNTYKKESA-N 2 0 198.354 2.281 20 0 AEADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 228903078 487063038 /nfs/dbraw/zinc/06/30/38/487063038.db2.gz IQYRUIOWGBAMLQ-KKOKHZNYSA-N 2 0 196.338 2.035 20 0 AEADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 228861492 487063048 /nfs/dbraw/zinc/06/30/48/487063048.db2.gz FYJLLXSJCSWKBX-NWDGAFQWSA-N 2 0 196.338 2.060 20 0 AEADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C 228950557 487063089 /nfs/dbraw/zinc/06/30/89/487063089.db2.gz JJQGQUGMWPTFIY-AXFHLTTASA-N 2 0 198.354 2.281 20 0 AEADRP CC(C)=CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] 228861501 487063208 /nfs/dbraw/zinc/06/32/08/487063208.db2.gz FYJLLXSJCSWKBX-RYUDHWBXSA-N 2 0 196.338 2.060 20 0 AEADRP CC(C)=CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 228861477 487063271 /nfs/dbraw/zinc/06/32/71/487063271.db2.gz FYJLLXSJCSWKBX-VXGBXAGGSA-N 2 0 196.338 2.060 20 0 AEADRP CC(C)=CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 228861486 487063343 /nfs/dbraw/zinc/06/33/43/487063343.db2.gz FYJLLXSJCSWKBX-NEPJUHHUSA-N 2 0 196.338 2.060 20 0 AEADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)C1 682677881 487066446 /nfs/dbraw/zinc/06/64/46/487066446.db2.gz HJADZRYATRVJPW-LBPRGKRZSA-N 2 0 198.354 2.060 20 0 AEADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)C1 682677880 487066815 /nfs/dbraw/zinc/06/68/15/487066815.db2.gz HJADZRYATRVJPW-GFCCVEGCSA-N 2 0 198.354 2.060 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](CC)CCC 231276470 487077316 /nfs/dbraw/zinc/07/73/16/487077316.db2.gz ROZBFIFWAVUWTO-LLVKDONJSA-N 2 0 186.343 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H](CC)CCC 231276478 487077344 /nfs/dbraw/zinc/07/73/44/487077344.db2.gz ROZBFIFWAVUWTO-NSHDSACASA-N 2 0 186.343 2.154 20 0 AEADRP CC(C)CC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 232571650 487082797 /nfs/dbraw/zinc/08/27/97/487082797.db2.gz KCDMGAWCRSUWJA-NWDGAFQWSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 232570638 487083541 /nfs/dbraw/zinc/08/35/41/487083541.db2.gz KCDMGAWCRSUWJA-RYUDHWBXSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 232730965 487084286 /nfs/dbraw/zinc/08/42/86/487084286.db2.gz KCDMGAWCRSUWJA-VXGBXAGGSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 232729971 487084824 /nfs/dbraw/zinc/08/48/24/487084824.db2.gz KCDMGAWCRSUWJA-NEPJUHHUSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C 683141246 487084938 /nfs/dbraw/zinc/08/49/38/487084938.db2.gz SEKSGVGTTZKZBK-GFCCVEGCSA-N 2 0 198.354 2.203 20 0 AEADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C 683141247 487085204 /nfs/dbraw/zinc/08/52/04/487085204.db2.gz SEKSGVGTTZKZBK-LBPRGKRZSA-N 2 0 198.354 2.203 20 0 AEADRP CCC(C)(C)C[NH2+]CC1CC[NH2+]CC1 232871506 487085272 /nfs/dbraw/zinc/08/52/72/487085272.db2.gz QCMBJTXEGMVLMU-UHFFFAOYSA-N 2 0 198.354 2.012 20 0 AEADRP CC1(C[NH2+]CC2([NH3+])CCCCC2)CC1 232857937 487085500 /nfs/dbraw/zinc/08/55/00/487085500.db2.gz YHUXXNBQESYZPL-UHFFFAOYSA-N 2 0 196.338 2.038 20 0 AEADRP CCC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 232883811 487086473 /nfs/dbraw/zinc/08/64/73/487086473.db2.gz VATKAFKYZOEQME-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP CCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 683227306 487086793 /nfs/dbraw/zinc/08/67/93/487086793.db2.gz ZKVFRGUAUXIVNG-LBPRGKRZSA-N 2 0 198.354 2.203 20 0 AEADRP CCC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 232886134 487087141 /nfs/dbraw/zinc/08/71/41/487087141.db2.gz VATKAFKYZOEQME-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP CCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 683227304 487087324 /nfs/dbraw/zinc/08/73/24/487087324.db2.gz ZKVFRGUAUXIVNG-GFCCVEGCSA-N 2 0 198.354 2.203 20 0 AEADRP CCC(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 233001348 487087591 /nfs/dbraw/zinc/08/75/91/487087591.db2.gz WDGCGKWKNUWQRW-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CCC[N@H+](CC)C[C@H]1CC[NH2+][C@@H](C)C1 233016598 487087609 /nfs/dbraw/zinc/08/76/09/487087609.db2.gz LWUAFMYMXGTCOT-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] 233001449 487087646 /nfs/dbraw/zinc/08/76/46/487087646.db2.gz SVXALIWJGQRVND-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] 232982368 487087668 /nfs/dbraw/zinc/08/76/68/487087668.db2.gz SVXALIWJGQRVND-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 232982275 487087693 /nfs/dbraw/zinc/08/76/93/487087693.db2.gz WDGCGKWKNUWQRW-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 232966486 487087714 /nfs/dbraw/zinc/08/77/14/487087714.db2.gz SRUUAUVYPXKUSX-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 232981763 487087724 /nfs/dbraw/zinc/08/77/24/487087724.db2.gz SVXALIWJGQRVND-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 232981649 487087728 /nfs/dbraw/zinc/08/77/28/487087728.db2.gz WDGCGKWKNUWQRW-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 232968772 487087736 /nfs/dbraw/zinc/08/77/36/487087736.db2.gz SRUUAUVYPXKUSX-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 233000803 487087861 /nfs/dbraw/zinc/08/78/61/487087861.db2.gz WDGCGKWKNUWQRW-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CCC[N@H+](CC)C[C@@H]1CC[NH2+][C@@H](C)C1 233014373 487087894 /nfs/dbraw/zinc/08/78/94/487087894.db2.gz LWUAFMYMXGTCOT-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] 233000895 487087978 /nfs/dbraw/zinc/08/79/78/487087978.db2.gz SVXALIWJGQRVND-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP CCC(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 233000323 487088055 /nfs/dbraw/zinc/08/80/55/487088055.db2.gz ZFXHKOACUZLGSN-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CCC(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 232980980 487088474 /nfs/dbraw/zinc/08/84/74/487088474.db2.gz ZFXHKOACUZLGSN-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 233277438 487088726 /nfs/dbraw/zinc/08/87/26/487088726.db2.gz UEDLAXJVCYOJQW-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[C@@H](C)[NH2+]CC([NH3+])(CC)CC 233279710 487088881 /nfs/dbraw/zinc/08/88/81/487088881.db2.gz UPDFJBKWOQZIAD-SNVBAGLBSA-N 2 0 186.343 2.282 20 0 AEADRP CCC[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 233279808 487088966 /nfs/dbraw/zinc/08/89/66/487088966.db2.gz FBAAFOYHUZGSAM-LLVKDONJSA-N 2 0 196.338 2.074 20 0 AEADRP CCC[C@@H](C)[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 233279606 487089014 /nfs/dbraw/zinc/08/90/14/487089014.db2.gz RSSULXNECSGZMC-YIBTVLSRSA-N 2 0 196.338 2.048 20 0 AEADRP CCC[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 233279742 487089093 /nfs/dbraw/zinc/08/90/93/487089093.db2.gz WQVQOZCLCJJXHT-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 233281711 487089167 /nfs/dbraw/zinc/08/91/67/487089167.db2.gz UEDLAXJVCYOJQW-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CCC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 233089430 487089375 /nfs/dbraw/zinc/08/93/75/487089375.db2.gz VATKAFKYZOEQME-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP CCC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 233088942 487089662 /nfs/dbraw/zinc/08/96/62/487089662.db2.gz VATKAFKYZOEQME-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP CCC[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 233336648 487089948 /nfs/dbraw/zinc/08/99/48/487089948.db2.gz WQVQOZCLCJJXHT-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 233338590 487089975 /nfs/dbraw/zinc/08/99/75/487089975.db2.gz MZKCOOKRGQMZPW-SDDRHHMPSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](C)[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 233336503 487090001 /nfs/dbraw/zinc/09/00/01/487090001.db2.gz RSSULXNECSGZMC-WSMDXJOWSA-N 2 0 196.338 2.048 20 0 AEADRP CCC[C@H](C)[NH2+]CC([NH3+])(CC)CC 233336614 487090098 /nfs/dbraw/zinc/09/00/98/487090098.db2.gz UPDFJBKWOQZIAD-JTQLQIEISA-N 2 0 186.343 2.282 20 0 AEADRP CCC[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 233337525 487090364 /nfs/dbraw/zinc/09/03/64/487090364.db2.gz UEDLAXJVCYOJQW-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 233338275 487090687 /nfs/dbraw/zinc/09/06/87/487090687.db2.gz UEDLAXJVCYOJQW-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 233336734 487090753 /nfs/dbraw/zinc/09/07/53/487090753.db2.gz FBAAFOYHUZGSAM-NSHDSACASA-N 2 0 196.338 2.074 20 0 AEADRP CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 233338832 487091276 /nfs/dbraw/zinc/09/12/76/487091276.db2.gz MZKCOOKRGQMZPW-QJPTWQEYSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 234020897 487094500 /nfs/dbraw/zinc/09/45/00/487094500.db2.gz MXNNXRFULVFAHF-SDDRHHMPSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 251933129 487122138 /nfs/dbraw/zinc/12/21/38/487122138.db2.gz RNXJVVHCFZJSQM-YFKTTZPYSA-N 2 0 198.354 2.281 20 0 AEADRP CCCCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 249798648 487111808 /nfs/dbraw/zinc/11/18/08/487111808.db2.gz MMADHBRUNHBDPJ-NWDGAFQWSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 249798654 487111940 /nfs/dbraw/zinc/11/19/40/487111940.db2.gz MMADHBRUNHBDPJ-RYUDHWBXSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 250601202 487113529 /nfs/dbraw/zinc/11/35/29/487113529.db2.gz ROQIUAMEASAYEP-NWDGAFQWSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 250601205 487113646 /nfs/dbraw/zinc/11/36/46/487113646.db2.gz ROQIUAMEASAYEP-RYUDHWBXSA-N 2 0 198.354 2.092 20 0 AEADRP CCC[C@H](C)[N@H+](C)CC[C@H]1CC[NH2+]C1 251285198 487116065 /nfs/dbraw/zinc/11/60/65/487116065.db2.gz GSEUKJUKOMDSHK-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[C@@H](C)[N@H+](C)CC[C@H]1CC[NH2+]C1 251285201 487116557 /nfs/dbraw/zinc/11/65/57/487116557.db2.gz GSEUKJUKOMDSHK-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] 251324233 487117083 /nfs/dbraw/zinc/11/70/83/487117083.db2.gz MHIPMAVAUQXVFS-SRVKXCTJSA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 251324231 487117388 /nfs/dbraw/zinc/11/73/88/487117388.db2.gz MHIPMAVAUQXVFS-SDDRHHMPSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] 251309808 487117396 /nfs/dbraw/zinc/11/73/96/487117396.db2.gz JTSXILOWDOADEI-SRVKXCTJSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 251309806 487117416 /nfs/dbraw/zinc/11/74/16/487117416.db2.gz JTSXILOWDOADEI-SDDRHHMPSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 251573282 487118172 /nfs/dbraw/zinc/11/81/72/487118172.db2.gz BYZODUDTWPPNSJ-QJPTWQEYSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@@H](C)[N@H+](CC)CC[C@H]1CC[NH2+]C1 251740899 487119279 /nfs/dbraw/zinc/11/92/79/487119279.db2.gz GGFHDXWLVUXJOG-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[N@H+](CC)CC[C@H]1CC[NH2+]C1 251740898 487119499 /nfs/dbraw/zinc/11/94/99/487119499.db2.gz GGFHDXWLVUXJOG-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@@H]1C[N@H+](CCC(C)C)CC[C@H]1[NH3+] 251883922 487120181 /nfs/dbraw/zinc/12/01/81/487120181.db2.gz VLMJLMXZXWKZKM-VXGBXAGGSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 251757324 487120277 /nfs/dbraw/zinc/12/02/77/487120277.db2.gz HJHSUHXPPYRUBY-SDDRHHMPSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]C1 251895196 487120366 /nfs/dbraw/zinc/12/03/66/487120366.db2.gz PFZSEFDROLYVLW-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CC(C)CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251878927 487120446 /nfs/dbraw/zinc/12/04/46/487120446.db2.gz UPFIQEOEGYXBAZ-VXGBXAGGSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@H]1C[N@H+](CCC(C)C)CC[C@H]1[NH3+] 251883919 487120738 /nfs/dbraw/zinc/12/07/38/487120738.db2.gz VLMJLMXZXWKZKM-NWDGAFQWSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 251749033 487120793 /nfs/dbraw/zinc/12/07/93/487120793.db2.gz GTXVCOMNTYQORP-SRVKXCTJSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] 251757326 487120846 /nfs/dbraw/zinc/12/08/46/487120846.db2.gz HJHSUHXPPYRUBY-SRVKXCTJSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 251749037 487120953 /nfs/dbraw/zinc/12/09/53/487120953.db2.gz GTXVCOMNTYQORP-TUAOUCFPSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]C1 251895197 487121193 /nfs/dbraw/zinc/12/11/93/487121193.db2.gz PFZSEFDROLYVLW-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 252023664 487121712 /nfs/dbraw/zinc/12/17/12/487121712.db2.gz XWBZBTUPGYJCRV-SRVKXCTJSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CC[NH3+] 251941748 487121884 /nfs/dbraw/zinc/12/18/84/487121884.db2.gz SNRJFFUNOLUCNR-RYUDHWBXSA-N 2 0 198.354 2.236 20 0 AEADRP CC[C@H](C)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 252023663 487122019 /nfs/dbraw/zinc/12/20/19/487122019.db2.gz XWBZBTUPGYJCRV-SDDRHHMPSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CC[NH3+] 251941746 487122199 /nfs/dbraw/zinc/12/21/99/487122199.db2.gz SNRJFFUNOLUCNR-NEPJUHHUSA-N 2 0 198.354 2.236 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 251933128 487122418 /nfs/dbraw/zinc/12/24/18/487122418.db2.gz RNXJVVHCFZJSQM-BJDJZHNGSA-N 2 0 198.354 2.281 20 0 AEADRP CCC[C@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 252405503 487124127 /nfs/dbraw/zinc/12/41/27/487124127.db2.gz DYXFMTWYJJDFLV-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[C@@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 252405501 487124188 /nfs/dbraw/zinc/12/41/88/487124188.db2.gz DYXFMTWYJJDFLV-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 252675433 487125307 /nfs/dbraw/zinc/12/53/07/487125307.db2.gz ZTRVTUPKKGOOCL-RYUDHWBXSA-N 2 0 196.338 2.003 20 0 AEADRP CCC(CC)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 252683810 487125454 /nfs/dbraw/zinc/12/54/54/487125454.db2.gz FFLDRSBDFRUYER-PWSUYJOCSA-N 2 0 198.354 2.234 20 0 AEADRP CCC(CC)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 252683811 487125582 /nfs/dbraw/zinc/12/55/82/487125582.db2.gz FFLDRSBDFRUYER-ZYHUDNBSSA-N 2 0 198.354 2.234 20 0 AEADRP CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 252675432 487125634 /nfs/dbraw/zinc/12/56/34/487125634.db2.gz ZTRVTUPKKGOOCL-NEPJUHHUSA-N 2 0 196.338 2.003 20 0 AEADRP CC(C)CCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252765924 487127287 /nfs/dbraw/zinc/12/72/87/487127287.db2.gz FYIPSOSDCCDBCJ-NWDGAFQWSA-N 2 0 198.354 2.092 20 0 AEADRP CCC(CC)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252767926 487127382 /nfs/dbraw/zinc/12/73/82/487127382.db2.gz GUFMCBTZCXNZLB-CMPLNLGQSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 252795079 487127444 /nfs/dbraw/zinc/12/74/44/487127444.db2.gz ZWAXFAHMLFWJJK-TUAOUCFPSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 252765926 487127460 /nfs/dbraw/zinc/12/74/60/487127460.db2.gz FYIPSOSDCCDBCJ-RYUDHWBXSA-N 2 0 198.354 2.092 20 0 AEADRP CCC(CC)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 252767928 487127584 /nfs/dbraw/zinc/12/75/84/487127584.db2.gz GUFMCBTZCXNZLB-JQWIXIFHSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 252795078 487127859 /nfs/dbraw/zinc/12/78/59/487127859.db2.gz ZWAXFAHMLFWJJK-SRVKXCTJSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 253142959 487131341 /nfs/dbraw/zinc/13/13/41/487131341.db2.gz YAZSLDYWQLXDNZ-IJLUTSLNSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 253142960 487131955 /nfs/dbraw/zinc/13/19/55/487131955.db2.gz YAZSLDYWQLXDNZ-SRVKXCTJSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 253262846 487132676 /nfs/dbraw/zinc/13/26/76/487132676.db2.gz IQYRUIOWGBAMLQ-RHYQMDGZSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 253262848 487132820 /nfs/dbraw/zinc/13/28/20/487132820.db2.gz IQYRUIOWGBAMLQ-WYUUTHIRSA-N 2 0 196.338 2.035 20 0 AEADRP C[N@H+](CCC(C)(C)C)CC(C)(C)[NH3+] 258698360 487134945 /nfs/dbraw/zinc/13/49/45/487134945.db2.gz BVENJRYFEHOWFI-UHFFFAOYSA-N 2 0 186.343 2.092 20 0 AEADRP C[C@H]([NH3+])C[N@H+](C)CCC1CCCCC1 258817971 487135996 /nfs/dbraw/zinc/13/59/96/487135996.db2.gz TZDSYQOAXHCFSG-NSHDSACASA-N 2 0 198.354 2.236 20 0 AEADRP C[N@H+](CCC1CCC1)CC(C)(C)C[NH3+] 258829281 487136043 /nfs/dbraw/zinc/13/60/43/487136043.db2.gz VDADHMHRIGGRII-UHFFFAOYSA-N 2 0 198.354 2.093 20 0 AEADRP C[N@H+](CCC1CCCC1)CC(C)(C)[NH3+] 258867960 487136109 /nfs/dbraw/zinc/13/61/09/487136109.db2.gz OYSXMSRIPPZQRM-UHFFFAOYSA-N 2 0 198.354 2.236 20 0 AEADRP C[C@@H]([NH3+])C[N@H+](C)CCC1CCCCC1 258817970 487136211 /nfs/dbraw/zinc/13/62/11/487136211.db2.gz TZDSYQOAXHCFSG-LLVKDONJSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)(C)CC[NH2+]CC[C@H]1CC[NH2+]C1 259121154 487136899 /nfs/dbraw/zinc/13/68/99/487136899.db2.gz VVGZOHCQGUJDQO-NSHDSACASA-N 2 0 198.354 2.012 20 0 AEADRP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] 259016475 487136919 /nfs/dbraw/zinc/13/69/19/487136919.db2.gz NWXCTDOYJMXLGE-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CCC[N@H+](C)CC(C)(C)[NH3+] 258959455 487136964 /nfs/dbraw/zinc/13/69/64/487136964.db2.gz XPSZOFVCTDONBW-UHFFFAOYSA-N 2 0 186.343 2.092 20 0 AEADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC1CCC1 258910596 487137096 /nfs/dbraw/zinc/13/70/96/487137096.db2.gz IFVNXAJMDOIZLI-VXGBXAGGSA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)(C)CC[NH2+]CC[C@@H]1CC[NH2+]C1 259121149 487137115 /nfs/dbraw/zinc/13/71/15/487137115.db2.gz VVGZOHCQGUJDQO-LLVKDONJSA-N 2 0 198.354 2.012 20 0 AEADRP CC(C)CCC[NH2+]CC[C@H]1CC[NH2+]C1 258956545 487137127 /nfs/dbraw/zinc/13/71/27/487137127.db2.gz IYMKVGWWOKJVFL-LBPRGKRZSA-N 2 0 198.354 2.012 20 0 AEADRP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] 258950479 487137180 /nfs/dbraw/zinc/13/71/80/487137180.db2.gz KLHQHDDIZYMNQO-VXGBXAGGSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CCC[NH2+]CC[C@@H]1CC[NH2+]C1 258956543 487137268 /nfs/dbraw/zinc/13/72/68/487137268.db2.gz IYMKVGWWOKJVFL-GFCCVEGCSA-N 2 0 198.354 2.012 20 0 AEADRP CC(C)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] 258924677 487137293 /nfs/dbraw/zinc/13/72/93/487137293.db2.gz JAVIETIAJJMJNC-QWRGUYRKSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] 258924672 487137317 /nfs/dbraw/zinc/13/73/17/487137317.db2.gz JAVIETIAJJMJNC-GHMZBOCLSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 258924680 487137374 /nfs/dbraw/zinc/13/73/74/487137374.db2.gz JAVIETIAJJMJNC-WDEREUQCSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)C(C)(C)C[NH2+][C@H]1CCC[C@H]1[NH3+] 258924674 487137406 /nfs/dbraw/zinc/13/74/06/487137406.db2.gz JAVIETIAJJMJNC-MNOVXSKESA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 300056044 487141390 /nfs/dbraw/zinc/14/13/90/487141390.db2.gz MXNNXRFULVFAHF-WOPDTQHZSA-N 2 0 198.354 2.105 20 0 AEADRP CCC[N@H+](CC)C[C@H]1CC[NH2+][C@H](C)C1 300055980 487141436 /nfs/dbraw/zinc/14/14/36/487141436.db2.gz LWUAFMYMXGTCOT-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 300056042 487141691 /nfs/dbraw/zinc/14/16/91/487141691.db2.gz MXNNXRFULVFAHF-GRYCIOLGSA-N 2 0 198.354 2.105 20 0 AEADRP CCCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 300056683 487141786 /nfs/dbraw/zinc/14/17/86/487141786.db2.gz SRUUAUVYPXKUSX-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[N@H+](CC)C[C@@H]1CC[NH2+][C@H](C)C1 300055981 487141817 /nfs/dbraw/zinc/14/18/17/487141817.db2.gz LWUAFMYMXGTCOT-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 300056682 487141929 /nfs/dbraw/zinc/14/19/29/487141929.db2.gz SRUUAUVYPXKUSX-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 300056043 487142538 /nfs/dbraw/zinc/14/25/38/487142538.db2.gz MXNNXRFULVFAHF-SRVKXCTJSA-N 2 0 198.354 2.105 20 0 AEADRP CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 300348020 487142930 /nfs/dbraw/zinc/14/29/30/487142930.db2.gz MZKCOOKRGQMZPW-SRVKXCTJSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 300348021 487143072 /nfs/dbraw/zinc/14/30/72/487143072.db2.gz MZKCOOKRGQMZPW-TUAOUCFPSA-N 2 0 198.354 2.153 20 0 AEADRP CC[N@H+](CCC[NH+](C)C)CC1(C)CC1 685459926 487145419 /nfs/dbraw/zinc/14/54/19/487145419.db2.gz BQVXWAJJFBCYPZ-UHFFFAOYSA-N 2 0 198.354 2.060 20 0 AEADRP CC(C)CC[NH2+][C@H]1CC[NH2+]CC1(C)C 300848692 487145476 /nfs/dbraw/zinc/14/54/76/487145476.db2.gz NISNUYGXXMGKAH-NSHDSACASA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)CC[NH2+][C@@H]1CC[NH2+]CC1(C)C 300848689 487145716 /nfs/dbraw/zinc/14/57/16/487145716.db2.gz NISNUYGXXMGKAH-LLVKDONJSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)C[NH2+][C@H]1CC[NH2+]CC1(C)C 300877687 487146449 /nfs/dbraw/zinc/14/64/49/487146449.db2.gz RUTMTWMHMZJJKI-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H](C)C[NH2+][C@H]1CC[NH2+]CC1(C)C 300877683 487146540 /nfs/dbraw/zinc/14/65/40/487146540.db2.gz RUTMTWMHMZJJKI-MNOVXSKESA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]CC1(C)C 300877679 487146564 /nfs/dbraw/zinc/14/65/64/487146564.db2.gz RUTMTWMHMZJJKI-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC1(C)C 300878134 487146618 /nfs/dbraw/zinc/14/66/18/487146618.db2.gz RUTMTWMHMZJJKI-WDEREUQCSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)=CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 306773401 487166414 /nfs/dbraw/zinc/16/64/14/487166414.db2.gz IQKPRURMSWMYFI-NWDGAFQWSA-N 2 0 196.338 2.012 20 0 AEADRP CC(C)=CCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 306773403 487166601 /nfs/dbraw/zinc/16/66/01/487166601.db2.gz IQKPRURMSWMYFI-RYUDHWBXSA-N 2 0 196.338 2.012 20 0 AEADRP CC(C)=CCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 306773399 487166697 /nfs/dbraw/zinc/16/66/97/487166697.db2.gz IQKPRURMSWMYFI-NEPJUHHUSA-N 2 0 196.338 2.012 20 0 AEADRP CC(C)=CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 306773405 487166819 /nfs/dbraw/zinc/16/68/19/487166819.db2.gz IQKPRURMSWMYFI-VXGBXAGGSA-N 2 0 196.338 2.012 20 0 AEADRP CC(C)=CCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 306985103 487170956 /nfs/dbraw/zinc/17/09/56/487170956.db2.gz MXWFXHFYMDWHSP-NWDGAFQWSA-N 2 0 196.338 2.154 20 0 AEADRP CC(C)=CCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 306985102 487171401 /nfs/dbraw/zinc/17/14/01/487171401.db2.gz MXWFXHFYMDWHSP-NEPJUHHUSA-N 2 0 196.338 2.154 20 0 AEADRP CC(C)=CCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 306985105 487171494 /nfs/dbraw/zinc/17/14/94/487171494.db2.gz MXWFXHFYMDWHSP-VXGBXAGGSA-N 2 0 196.338 2.154 20 0 AEADRP CC(C)=CCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 306985104 487171558 /nfs/dbraw/zinc/17/15/58/487171558.db2.gz MXWFXHFYMDWHSP-RYUDHWBXSA-N 2 0 196.338 2.154 20 0 AEADRP CC1(C)CC[C@H]1[NH2+]CC1([NH3+])CCCC1 307548511 487182956 /nfs/dbraw/zinc/18/29/56/487182956.db2.gz OKZXLFATTGFKTH-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP CC1(C)CC[C@@H]1[NH2+]CC1([NH3+])CCCC1 307548510 487183221 /nfs/dbraw/zinc/18/32/21/487183221.db2.gz OKZXLFATTGFKTH-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]1[C@H](C)CCC[C@H]1[NH2+]CC(C)(C)[NH3+] 307619819 487186732 /nfs/dbraw/zinc/18/67/32/487186732.db2.gz ZIUFGDYWBXLUPZ-OUAUKWLOSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH3+])[C@@H]1C 307619818 487186756 /nfs/dbraw/zinc/18/67/56/487186756.db2.gz ZIUFGDYWBXLUPZ-MXWKQRLJSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH3+])[C@@H]1C 307619817 487187024 /nfs/dbraw/zinc/18/70/24/487187024.db2.gz ZIUFGDYWBXLUPZ-GMTAPVOTSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H]1[C@@H]([NH2+]CC(C)(C)[NH3+])CCC[C@H]1C 307619820 487187111 /nfs/dbraw/zinc/18/71/11/487187111.db2.gz ZIUFGDYWBXLUPZ-VWYCJHECSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)CC[C@H](C)[NH2+]CC(C)(C)[NH3+] 308130148 487194720 /nfs/dbraw/zinc/19/47/20/487194720.db2.gz HUHNPXRQXNCKKH-JTQLQIEISA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)CCC[NH2+][C@@H](C)CCC[NH3+] 308129577 487194793 /nfs/dbraw/zinc/19/47/93/487194793.db2.gz HSVHBSDZLOFSEK-NSHDSACASA-N 2 0 186.343 2.140 20 0 AEADRP CC(C)CC[NH2+][C@@H](C)CCCC[NH3+] 308131690 487194824 /nfs/dbraw/zinc/19/48/24/487194824.db2.gz JVNRKTMHNDQHSI-NSHDSACASA-N 2 0 186.343 2.140 20 0 AEADRP CC(C)CC[NH2+][C@H](C)CCCC[NH3+] 308131689 487194920 /nfs/dbraw/zinc/19/49/20/487194920.db2.gz JVNRKTMHNDQHSI-LLVKDONJSA-N 2 0 186.343 2.140 20 0 AEADRP CC(C)CCC[NH2+][C@H](C)CCC[NH3+] 308129575 487195132 /nfs/dbraw/zinc/19/51/32/487195132.db2.gz HSVHBSDZLOFSEK-LLVKDONJSA-N 2 0 186.343 2.140 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+]CC(C)(C)[NH3+] 308130149 487195134 /nfs/dbraw/zinc/19/51/34/487195134.db2.gz HUHNPXRQXNCKKH-SNVBAGLBSA-N 2 0 186.343 2.138 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+]C1CCCCC1 308164150 487195479 /nfs/dbraw/zinc/19/54/79/487195479.db2.gz YLPORJXBCWOVAU-JTQLQIEISA-N 2 0 184.327 2.036 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+]CCC(C)(C)C 308161351 487195546 /nfs/dbraw/zinc/19/55/46/487195546.db2.gz AKVYXVJBTKDTNC-JTQLQIEISA-N 2 0 186.343 2.140 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+]C1CCCCC1 308164151 487195649 /nfs/dbraw/zinc/19/56/49/487195649.db2.gz YLPORJXBCWOVAU-SNVBAGLBSA-N 2 0 184.327 2.036 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+]CCC(C)(C)C 308161352 487195788 /nfs/dbraw/zinc/19/57/88/487195788.db2.gz AKVYXVJBTKDTNC-SNVBAGLBSA-N 2 0 186.343 2.140 20 0 AEADRP CCCC[C@H](C)[NH2+][C@H](C)CCC[NH3+] 308181325 487195925 /nfs/dbraw/zinc/19/59/25/487195925.db2.gz CWRKWIBQDHPIKT-WDEREUQCSA-N 2 0 186.343 2.282 20 0 AEADRP CCCC[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] 308181323 487196048 /nfs/dbraw/zinc/19/60/48/487196048.db2.gz CWRKWIBQDHPIKT-MNOVXSKESA-N 2 0 186.343 2.282 20 0 AEADRP CCCC[C@H](C)[NH2+][C@@H](C)CCC[NH3+] 308181324 487196169 /nfs/dbraw/zinc/19/61/69/487196169.db2.gz CWRKWIBQDHPIKT-QWRGUYRKSA-N 2 0 186.343 2.282 20 0 AEADRP CCCC[C@@H](C)[NH2+][C@H](C)CCC[NH3+] 308181322 487196385 /nfs/dbraw/zinc/19/63/85/487196385.db2.gz CWRKWIBQDHPIKT-GHMZBOCLSA-N 2 0 186.343 2.282 20 0 AEADRP CCC[C@@H](CC)[NH2+][C@H](C)CCC[NH3+] 308215041 487196636 /nfs/dbraw/zinc/19/66/36/487196636.db2.gz ZBDCEELDHRYNFT-GHMZBOCLSA-N 2 0 186.343 2.282 20 0 AEADRP CCC[C@@H](CC)[NH2+][C@@H](C)CCC[NH3+] 308215044 487196714 /nfs/dbraw/zinc/19/67/14/487196714.db2.gz ZBDCEELDHRYNFT-WDEREUQCSA-N 2 0 186.343 2.282 20 0 AEADRP CCC[C@H](CC)[NH2+][C@@H](C)CCC[NH3+] 308215043 487196919 /nfs/dbraw/zinc/19/69/19/487196919.db2.gz ZBDCEELDHRYNFT-QWRGUYRKSA-N 2 0 186.343 2.282 20 0 AEADRP CCC[C@H](CC)[NH2+][C@H](C)CCC[NH3+] 308215042 487196938 /nfs/dbraw/zinc/19/69/38/487196938.db2.gz ZBDCEELDHRYNFT-MNOVXSKESA-N 2 0 186.343 2.282 20 0 AEADRP C[C@@H]1CCC[C@H]([NH2+][C@H](C)CCC[NH3+])C1 308467136 487201505 /nfs/dbraw/zinc/20/15/05/487201505.db2.gz AHHDOJXDRSWTDZ-UTUOFQBUSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]([NH2+]CC(C)(C)[NH3+])C1CCCCC1 308468410 487201537 /nfs/dbraw/zinc/20/15/37/487201537.db2.gz AQVFOJUGWOXVSQ-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH2+]CC(C)(C)[NH3+])C1CCCCC1 308468408 487201127 /nfs/dbraw/zinc/20/11/27/487201127.db2.gz AQVFOJUGWOXVSQ-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+]CC1CCCCC1 308475890 487201300 /nfs/dbraw/zinc/20/13/00/487201300.db2.gz DQOQADDFCXVLSL-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](C)C1 308467140 487201332 /nfs/dbraw/zinc/20/13/32/487201332.db2.gz AHHDOJXDRSWTDZ-WOPDTQHZSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1 308467133 487201363 /nfs/dbraw/zinc/20/13/63/487201363.db2.gz AHHDOJXDRSWTDZ-IJLUTSLNSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+]CC1CCCCC1 308475888 487201401 /nfs/dbraw/zinc/20/14/01/487201401.db2.gz DQOQADDFCXVLSL-LLVKDONJSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](C)C1 308467130 487201449 /nfs/dbraw/zinc/20/14/49/487201449.db2.gz AHHDOJXDRSWTDZ-GRYCIOLGSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CC[C@@H](C)[N@H+](CCC[NH2+]C)C1 308471488 487201493 /nfs/dbraw/zinc/20/14/93/487201493.db2.gz JNYINTROQSRFJU-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+]C1CCCCCC1 308516562 487202394 /nfs/dbraw/zinc/20/23/94/487202394.db2.gz VHZBMJCSYYQUGL-NSHDSACASA-N 2 0 198.354 2.426 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+]C1CCCCCC1 308516561 487202706 /nfs/dbraw/zinc/20/27/06/487202706.db2.gz VHZBMJCSYYQUGL-LLVKDONJSA-N 2 0 198.354 2.426 20 0 AEADRP C[C@@H](C[NH3+])C[NH2+][C@H](C)C1CCCCC1 308563603 487203078 /nfs/dbraw/zinc/20/30/78/487203078.db2.gz GOIDCZFQRRDIRE-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H]([NH2+][C@H](C)CCCC[NH3+])C1CCC1 308560489 487203094 /nfs/dbraw/zinc/20/30/94/487203094.db2.gz WZVTUGGXCVUXGB-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH2+]C[C@H](C)C[NH3+])C1CCCCC1 308563601 487203129 /nfs/dbraw/zinc/20/31/29/487203129.db2.gz GOIDCZFQRRDIRE-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C1CCC1 308560487 487203200 /nfs/dbraw/zinc/20/32/00/487203200.db2.gz WZVTUGGXCVUXGB-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](C[NH3+])C[NH2+][C@H](C)C1CCCCC1 308563600 487203204 /nfs/dbraw/zinc/20/32/04/487203204.db2.gz GOIDCZFQRRDIRE-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C1CCC1 308560491 487203241 /nfs/dbraw/zinc/20/32/41/487203241.db2.gz WZVTUGGXCVUXGB-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](C)C1CCC1 308560493 487203264 /nfs/dbraw/zinc/20/32/64/487203264.db2.gz WZVTUGGXCVUXGB-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)C1CCCCC1 308563602 487203280 /nfs/dbraw/zinc/20/32/80/487203280.db2.gz GOIDCZFQRRDIRE-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](C[NH3+])C[NH2+]C1CCC(C)(C)CC1 308594972 487204475 /nfs/dbraw/zinc/20/44/75/487204475.db2.gz YAWMMPZLULDDQU-SNVBAGLBSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](C[NH3+])C[NH2+]C1CCC(C)(C)CC1 308594971 487204721 /nfs/dbraw/zinc/20/47/21/487204721.db2.gz YAWMMPZLULDDQU-JTQLQIEISA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCCC1(C)C 308596151 487204766 /nfs/dbraw/zinc/20/47/66/487204766.db2.gz YTBNASGXEBBSLE-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCCC1(C)C 308596149 487204847 /nfs/dbraw/zinc/20/48/47/487204847.db2.gz YTBNASGXEBBSLE-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCCC1(C)C 308596153 487204906 /nfs/dbraw/zinc/20/49/06/487204906.db2.gz YTBNASGXEBBSLE-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCCC1(C)C 308596155 487204920 /nfs/dbraw/zinc/20/49/20/487204920.db2.gz YTBNASGXEBBSLE-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP CCC[C@H](C)[NH2+]CC1([NH3+])CCCCC1 308621823 487205153 /nfs/dbraw/zinc/20/51/53/487205153.db2.gz WGWPQISUUKVACQ-NSHDSACASA-N 2 0 198.354 2.426 20 0 AEADRP CCC1CCC([NH2+]C[C@H](C)C[NH3+])CC1 308621211 487205159 /nfs/dbraw/zinc/20/51/59/487205159.db2.gz VSBSJJIOMNNSQF-VOMCLLRMSA-N 2 0 198.354 2.140 20 0 AEADRP CCC[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 308621818 487205206 /nfs/dbraw/zinc/20/52/06/487205206.db2.gz WGWPQISUUKVACQ-LLVKDONJSA-N 2 0 198.354 2.426 20 0 AEADRP CCC1CCC([NH2+]C[C@@H](C)C[NH3+])CC1 308621210 487205529 /nfs/dbraw/zinc/20/55/29/487205529.db2.gz VSBSJJIOMNNSQF-UNXYVOJBSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC1CC1 308643112 487205891 /nfs/dbraw/zinc/20/58/91/487205891.db2.gz FEATYEROHHWURI-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)C[NH2+]CCC[C@@H]1CCC[NH2+]1 308644266 487205895 /nfs/dbraw/zinc/20/58/95/487205895.db2.gz GRGMQWRRTHXKLE-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP C[C@@H](CC1CC1)[NH2+][C@H](C)CCCC[NH3+] 308643113 487205943 /nfs/dbraw/zinc/20/59/43/487205943.db2.gz FEATYEROHHWURI-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCC1(C)C 308649538 487205973 /nfs/dbraw/zinc/20/59/73/487205973.db2.gz JFQLBDXACRFHNL-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](C)CC1CC1 308643115 487205979 /nfs/dbraw/zinc/20/59/79/487205979.db2.gz FEATYEROHHWURI-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)C[NH2+]CCC[C@H]1CCC[NH2+]1 308644267 487206005 /nfs/dbraw/zinc/20/60/05/487206005.db2.gz GRGMQWRRTHXKLE-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC1(C)C 308649541 487206031 /nfs/dbraw/zinc/20/60/31/487206031.db2.gz JFQLBDXACRFHNL-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CCC1CCC([NH2+]CC(C)(C)[NH3+])CC1 308652263 487206078 /nfs/dbraw/zinc/20/60/78/487206078.db2.gz KYFJGHCHIDVOSA-UHFFFAOYSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCCCC1 308653201 487206094 /nfs/dbraw/zinc/20/60/94/487206094.db2.gz LRVYPQGXGFQBAT-NSHDSACASA-N 2 0 198.354 2.426 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCC1(C)C 308649539 487206129 /nfs/dbraw/zinc/20/61/29/487206129.db2.gz JFQLBDXACRFHNL-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)C1 308652891 487206174 /nfs/dbraw/zinc/20/61/74/487206174.db2.gz LZRLJHZOJVVACW-LBPRGKRZSA-N 2 0 196.338 2.051 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC1(C)C 308649537 487206309 /nfs/dbraw/zinc/20/63/09/487206309.db2.gz JFQLBDXACRFHNL-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC1CC1 308643114 487206333 /nfs/dbraw/zinc/20/63/33/487206333.db2.gz FEATYEROHHWURI-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 308652890 487206399 /nfs/dbraw/zinc/20/63/99/487206399.db2.gz LZRLJHZOJVVACW-GFCCVEGCSA-N 2 0 196.338 2.051 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]C1CCCCC1 308653200 487206409 /nfs/dbraw/zinc/20/64/09/487206409.db2.gz LRVYPQGXGFQBAT-LLVKDONJSA-N 2 0 198.354 2.426 20 0 AEADRP CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH3+])C1 308690660 487206616 /nfs/dbraw/zinc/20/66/16/487206616.db2.gz RJXJRSKHEKOHRP-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH3+])C1 308690658 487206815 /nfs/dbraw/zinc/20/68/15/487206815.db2.gz RJXJRSKHEKOHRP-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH3+])C1 308690659 487206896 /nfs/dbraw/zinc/20/68/96/487206896.db2.gz RJXJRSKHEKOHRP-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH3+])C1 308690657 487207145 /nfs/dbraw/zinc/20/71/45/487207145.db2.gz RJXJRSKHEKOHRP-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@H]1C 308700784 487207394 /nfs/dbraw/zinc/20/73/94/487207394.db2.gz UWRVTHBUVJYENP-UTUOFQBUSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1C 308700781 487207379 /nfs/dbraw/zinc/20/73/79/487207379.db2.gz UWRVTHBUVJYENP-IJLUTSLNSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H]1C 308693565 487207449 /nfs/dbraw/zinc/20/74/49/487207449.db2.gz SDSKOMKOPUJVMX-UTUOFQBUSA-N 2 0 198.354 2.282 20 0 AEADRP CC1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 308712884 487207568 /nfs/dbraw/zinc/20/75/68/487207568.db2.gz ZSZJBFDHZNTPAA-CXQJBGSLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CCC[C@@H]1[NH2+][C@H](C)CCCC[NH3+] 308693564 487207621 /nfs/dbraw/zinc/20/76/21/487207621.db2.gz SDSKOMKOPUJVMX-TUAOUCFPSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] 308693563 487207726 /nfs/dbraw/zinc/20/77/26/487207726.db2.gz SDSKOMKOPUJVMX-QJPTWQEYSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]1C 308693562 487207774 /nfs/dbraw/zinc/20/77/74/487207774.db2.gz SDSKOMKOPUJVMX-IJLUTSLNSA-N 2 0 198.354 2.282 20 0 AEADRP CC1CCC([NH2+][C@H](C)CCC[NH3+])CC1 308712886 487207784 /nfs/dbraw/zinc/20/77/84/487207784.db2.gz ZSZJBFDHZNTPAA-MOENNCHZSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]CC1CCCC1 308701885 487207795 /nfs/dbraw/zinc/20/77/95/487207795.db2.gz VFNGLZOCCHEVEW-LLVKDONJSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@H]1CCCC[C@@H]1[NH2+][C@H](C)CCC[NH3+] 308700783 487207840 /nfs/dbraw/zinc/20/78/40/487207840.db2.gz UWRVTHBUVJYENP-TUAOUCFPSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CCCC[C@H]1[NH2+][C@H](C)CCC[NH3+] 308700782 487207853 /nfs/dbraw/zinc/20/78/53/487207853.db2.gz UWRVTHBUVJYENP-QJPTWQEYSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]CC1CCCC1 308701888 487207885 /nfs/dbraw/zinc/20/78/85/487207885.db2.gz VFNGLZOCCHEVEW-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP [NH3+]C1(C[NH2+]CC2CCCCC2)CCC1 309077329 487208453 /nfs/dbraw/zinc/20/84/53/487208453.db2.gz LYQXMWKWFAOFCP-UHFFFAOYSA-N 2 0 196.338 2.038 20 0 AEADRP CC[C@H](C)[C@@H](C)[N@H+](CCC[NH3+])C1CC1 319076980 487208940 /nfs/dbraw/zinc/20/89/40/487208940.db2.gz ZNJRMULRAKNIOI-WDEREUQCSA-N 2 0 198.354 2.234 20 0 AEADRP CC[C@@H](C)[C@@H](C)[N@H+](CCC[NH3+])C1CC1 319076977 487209003 /nfs/dbraw/zinc/20/90/03/487209003.db2.gz ZNJRMULRAKNIOI-GHMZBOCLSA-N 2 0 198.354 2.234 20 0 AEADRP CC[C@@H](C)[C@H](C)[N@H+](CCC[NH3+])C1CC1 319076978 487208976 /nfs/dbraw/zinc/20/89/76/487208976.db2.gz ZNJRMULRAKNIOI-MNOVXSKESA-N 2 0 198.354 2.234 20 0 AEADRP CC[C@H](C)[C@H](C)[N@H+](CCC[NH3+])C1CC1 319076979 487209045 /nfs/dbraw/zinc/20/90/45/487209045.db2.gz ZNJRMULRAKNIOI-QWRGUYRKSA-N 2 0 198.354 2.234 20 0 AEADRP CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 319210937 487209099 /nfs/dbraw/zinc/20/90/99/487209099.db2.gz RLLOWAXAYFBZGP-WRWGMCAJSA-N 2 0 198.354 2.281 20 0 AEADRP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 319210928 487209143 /nfs/dbraw/zinc/20/91/43/487209143.db2.gz RLLOWAXAYFBZGP-DDHJBXDOSA-N 2 0 198.354 2.281 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 319210934 487209200 /nfs/dbraw/zinc/20/92/00/487209200.db2.gz RLLOWAXAYFBZGP-NNYUYHANSA-N 2 0 198.354 2.281 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 319210930 487209292 /nfs/dbraw/zinc/20/92/92/487209292.db2.gz RLLOWAXAYFBZGP-IRCOFANPSA-N 2 0 198.354 2.281 20 0 AEADRP CC[C@@H]([NH2+]CCC[NH+](C)C)C1CCC1 322417143 487221538 /nfs/dbraw/zinc/22/15/38/487221538.db2.gz XUPOXOFMDZUCIQ-GFCCVEGCSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H]([NH2+]CCC[NH+](C)C)C1CCC1 322417144 487221797 /nfs/dbraw/zinc/22/17/97/487221797.db2.gz XUPOXOFMDZUCIQ-LBPRGKRZSA-N 2 0 198.354 2.106 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)C 379351949 487238924 /nfs/dbraw/zinc/23/89/24/487238924.db2.gz ZBRFNMYWWVVQJJ-JTQLQIEISA-N 2 0 186.343 2.140 20 0 AEADRP CCC(CC)[NH2+][C@@H](C)CCCC[NH3+] 379351230 487238970 /nfs/dbraw/zinc/23/89/70/487238970.db2.gz WTUQIDDDRYWMIR-JTQLQIEISA-N 2 0 186.343 2.282 20 0 AEADRP CCC[C@H](C)[NH2+][C@H](C)CCCC[NH3+] 379351295 487239020 /nfs/dbraw/zinc/23/90/20/487239020.db2.gz XALYUBXWJNFFSI-WDEREUQCSA-N 2 0 186.343 2.282 20 0 AEADRP CC[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] 379351725 487239065 /nfs/dbraw/zinc/23/90/65/487239065.db2.gz YDLQULZOLRGMQW-QWRGUYRKSA-N 2 0 186.343 2.140 20 0 AEADRP CC[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] 379351726 487239104 /nfs/dbraw/zinc/23/91/04/487239104.db2.gz YDLQULZOLRGMQW-WDEREUQCSA-N 2 0 186.343 2.140 20 0 AEADRP CC[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+] 379351724 487239118 /nfs/dbraw/zinc/23/91/18/487239118.db2.gz YDLQULZOLRGMQW-MNOVXSKESA-N 2 0 186.343 2.140 20 0 AEADRP CCC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] 379351294 487239128 /nfs/dbraw/zinc/23/91/28/487239128.db2.gz XALYUBXWJNFFSI-QWRGUYRKSA-N 2 0 186.343 2.282 20 0 AEADRP CCC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] 379351292 487239131 /nfs/dbraw/zinc/23/91/31/487239131.db2.gz XALYUBXWJNFFSI-GHMZBOCLSA-N 2 0 186.343 2.282 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)C 379351950 487239176 /nfs/dbraw/zinc/23/91/76/487239176.db2.gz ZBRFNMYWWVVQJJ-SNVBAGLBSA-N 2 0 186.343 2.140 20 0 AEADRP CCC(CC)[NH2+][C@H](C)CCCC[NH3+] 379351231 487239241 /nfs/dbraw/zinc/23/92/41/487239241.db2.gz WTUQIDDDRYWMIR-SNVBAGLBSA-N 2 0 186.343 2.282 20 0 AEADRP CC[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+] 379351723 487239249 /nfs/dbraw/zinc/23/92/49/487239249.db2.gz YDLQULZOLRGMQW-GHMZBOCLSA-N 2 0 186.343 2.140 20 0 AEADRP CCC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] 379351293 487239324 /nfs/dbraw/zinc/23/93/24/487239324.db2.gz XALYUBXWJNFFSI-MNOVXSKESA-N 2 0 186.343 2.282 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC(C)(C)C1 379532445 487244439 /nfs/dbraw/zinc/24/44/39/487244439.db2.gz JNEWZQNRKXTHGY-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CCCC[C@H]1C[NH2+]CC(C)(C)[NH3+] 379507183 487244291 /nfs/dbraw/zinc/24/42/91/487244291.db2.gz RPCQNSSCYWPAAO-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1CCCC[C@H]1C[NH2+]CC(C)(C)[NH3+] 379507176 487244308 /nfs/dbraw/zinc/24/43/08/487244308.db2.gz RPCQNSSCYWPAAO-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC(C)(C)C1 379532451 487244343 /nfs/dbraw/zinc/24/43/43/487244343.db2.gz JNEWZQNRKXTHGY-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]1CCCC[C@@H]1C[NH2+]CC(C)(C)[NH3+] 379507174 487244371 /nfs/dbraw/zinc/24/43/71/487244371.db2.gz RPCQNSSCYWPAAO-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC(C)(C)C1 379532444 487244380 /nfs/dbraw/zinc/24/43/80/487244380.db2.gz JNEWZQNRKXTHGY-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCC(C)(C)C1 379532450 487244630 /nfs/dbraw/zinc/24/46/30/487244630.db2.gz JNEWZQNRKXTHGY-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CCCC[C@@H]1C[NH2+]CC(C)(C)[NH3+] 379507185 487244769 /nfs/dbraw/zinc/24/47/69/487244769.db2.gz RPCQNSSCYWPAAO-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C[NH3+])C1 379571399 487245207 /nfs/dbraw/zinc/24/52/07/487245207.db2.gz DYRWHEIOSGNKGG-IJLUTSLNSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1 379571401 487245226 /nfs/dbraw/zinc/24/52/26/487245226.db2.gz DYRWHEIOSGNKGG-QJPTWQEYSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C[NH3+])C1 379571408 487245615 /nfs/dbraw/zinc/24/56/15/487245615.db2.gz DYRWHEIOSGNKGG-UTUOFQBUSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C[NH3+])C1 379571404 487245737 /nfs/dbraw/zinc/24/57/37/487245737.db2.gz DYRWHEIOSGNKGG-TUAOUCFPSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H](C)C[NH2+]CCC[C@@H]1CCC[NH2+]1 379611871 487246111 /nfs/dbraw/zinc/24/61/11/487246111.db2.gz UXHSQXXOBZWJNS-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CC[C@@H](C)C[NH2+]CCC[C@H]1CCC[NH2+]1 379611859 487246374 /nfs/dbraw/zinc/24/63/74/487246374.db2.gz UXHSQXXOBZWJNS-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CC[C@H](C)C[NH2+]CCC[C@@H]1CCC[NH2+]1 379611864 487246437 /nfs/dbraw/zinc/24/64/37/487246437.db2.gz UXHSQXXOBZWJNS-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CC[C@H](C)C[NH2+]CCC[C@H]1CCC[NH2+]1 379611870 487246614 /nfs/dbraw/zinc/24/66/14/487246614.db2.gz UXHSQXXOBZWJNS-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[C@H](CC)[NH2+]CCC[NH2+]C1CC1 382594530 487250422 /nfs/dbraw/zinc/25/04/22/487250422.db2.gz JJHFEMMNEFRMMM-NSHDSACASA-N 2 0 198.354 2.297 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 382422669 487250499 /nfs/dbraw/zinc/25/04/99/487250499.db2.gz LAWFWXGGFJWGQQ-QJPTWQEYSA-N 2 0 198.354 2.138 20 0 AEADRP CCC[C@@H](CC)[NH2+]CCC[NH2+]C1CC1 382594527 487250575 /nfs/dbraw/zinc/25/05/75/487250575.db2.gz JJHFEMMNEFRMMM-LLVKDONJSA-N 2 0 198.354 2.297 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 382422681 487250449 /nfs/dbraw/zinc/25/04/49/487250449.db2.gz LAWFWXGGFJWGQQ-SDDRHHMPSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 382422683 487250831 /nfs/dbraw/zinc/25/08/31/487250831.db2.gz LAWFWXGGFJWGQQ-SRVKXCTJSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 382422684 487250955 /nfs/dbraw/zinc/25/09/55/487250955.db2.gz LAWFWXGGFJWGQQ-TUAOUCFPSA-N 2 0 198.354 2.138 20 0 AEADRP C[NH2+]CCC[NH2+]C[C@@H]1CCC[C@H](C)C1 383189826 487251324 /nfs/dbraw/zinc/25/13/24/487251324.db2.gz WOIPTVULEDMHBB-NWDGAFQWSA-N 2 0 198.354 2.012 20 0 AEADRP C[NH2+]CCC[NH2+]C[C@H]1CCC[C@@H](C)C1 383189825 487251463 /nfs/dbraw/zinc/25/14/63/487251463.db2.gz WOIPTVULEDMHBB-NEPJUHHUSA-N 2 0 198.354 2.012 20 0 AEADRP C[NH2+]CCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 383189828 487251513 /nfs/dbraw/zinc/25/15/13/487251513.db2.gz WOIPTVULEDMHBB-VXGBXAGGSA-N 2 0 198.354 2.012 20 0 AEADRP C[C@@H](CC[NH3+])[NH2+]C[C@@H]1CCC[C@@H](C)C1 383193434 487251548 /nfs/dbraw/zinc/25/15/48/487251548.db2.gz XEFOCCDVGIYYQT-GRYCIOLGSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H]1CCC[C@@H](C[NH2+][C@H](C)CC[NH3+])C1 383193435 487251637 /nfs/dbraw/zinc/25/16/37/487251637.db2.gz XEFOCCDVGIYYQT-IJLUTSLNSA-N 2 0 198.354 2.140 20 0 AEADRP C[NH2+]CCC[NH2+]C[C@H]1CCC[C@H](C)C1 383189827 487251645 /nfs/dbraw/zinc/25/16/45/487251645.db2.gz WOIPTVULEDMHBB-RYUDHWBXSA-N 2 0 198.354 2.012 20 0 AEADRP C[C@@H]1CCC[C@H](C[NH2+][C@H](C)CC[NH3+])C1 383193436 487251842 /nfs/dbraw/zinc/25/18/42/487251842.db2.gz XEFOCCDVGIYYQT-UTUOFQBUSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH2+]CC1 384582983 487252242 /nfs/dbraw/zinc/25/22/42/487252242.db2.gz XOMYAXKXXKYEQS-JTQLQIEISA-N 2 0 198.354 2.153 20 0 AEADRP C[C@@H](CC[NH3+])[NH2+]C[C@H]1CCC[C@@H](C)C1 383193437 487252809 /nfs/dbraw/zinc/25/28/09/487252809.db2.gz XEFOCCDVGIYYQT-WOPDTQHZSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH2+]CC1 384582985 487252911 /nfs/dbraw/zinc/25/29/11/487252911.db2.gz XOMYAXKXXKYEQS-SNVBAGLBSA-N 2 0 198.354 2.153 20 0 AEADRP CC/C=C\C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 384750162 487253103 /nfs/dbraw/zinc/25/31/03/487253103.db2.gz NZTMHAUZBNCYPY-GKKDLHFNSA-N 2 0 196.338 2.025 20 0 AEADRP CC/C=C/C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 384750160 487253156 /nfs/dbraw/zinc/25/31/56/487253156.db2.gz NZTMHAUZBNCYPY-CYLBZQBVSA-N 2 0 196.338 2.025 20 0 AEADRP CC/C=C\C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 384750159 487253194 /nfs/dbraw/zinc/25/31/94/487253194.db2.gz NZTMHAUZBNCYPY-ABZJQCSKSA-N 2 0 196.338 2.025 20 0 AEADRP CC/C=C/C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 384750163 487253387 /nfs/dbraw/zinc/25/33/87/487253387.db2.gz NZTMHAUZBNCYPY-IEVRTODYSA-N 2 0 196.338 2.025 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]C1CCCC1 388121013 487258720 /nfs/dbraw/zinc/25/87/20/487258720.db2.gz RDZJCDXZHHLSBC-SNVBAGLBSA-N 2 0 184.327 2.036 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCCC1 388121012 487258912 /nfs/dbraw/zinc/25/89/12/487258912.db2.gz RDZJCDXZHHLSBC-JTQLQIEISA-N 2 0 184.327 2.036 20 0 AEADRP C[C@@H]1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 389253307 487262825 /nfs/dbraw/zinc/26/28/25/487262825.db2.gz DAOMGFVVHXJPLD-IJLUTSLNSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 389253321 487262847 /nfs/dbraw/zinc/26/28/47/487262847.db2.gz DAOMGFVVHXJPLD-UTUOFQBUSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)C1 389253295 487263033 /nfs/dbraw/zinc/26/30/33/487263033.db2.gz DAOMGFVVHXJPLD-GRYCIOLGSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C)C1 389253323 487263087 /nfs/dbraw/zinc/26/30/87/487263087.db2.gz DAOMGFVVHXJPLD-WOPDTQHZSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](C[NH3+])C[NH2+]CC1CCCCCC1 389510042 487264035 /nfs/dbraw/zinc/26/40/35/487264035.db2.gz ZFOPQGBBHSGBKP-LLVKDONJSA-N 2 0 198.354 2.141 20 0 AEADRP CC(C)([NH3+])C[NH2+]CC1CCCCCC1 389501222 487264105 /nfs/dbraw/zinc/26/41/05/487264105.db2.gz WIBJNURGIHZGKC-UHFFFAOYSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@@H](C[NH3+])C[NH2+]CC1CCCCCC1 389510043 487264300 /nfs/dbraw/zinc/26/43/00/487264300.db2.gz ZFOPQGBBHSGBKP-NSHDSACASA-N 2 0 198.354 2.141 20 0 AEADRP CCC(CC)(CC)C[NH2+][C@H]1CC[NH2+]C1 391131068 487264825 /nfs/dbraw/zinc/26/48/25/487264825.db2.gz NJFZSMMVQWZMFU-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CCC(CC)C[NH2+][C@@H](C)CCC[NH3+] 393552203 487266659 /nfs/dbraw/zinc/26/66/59/487266659.db2.gz HPNOCMBCXVIWKZ-JTQLQIEISA-N 2 0 186.343 2.140 20 0 AEADRP CCC(CC)C[NH2+][C@H](C)CCC[NH3+] 393552205 487266875 /nfs/dbraw/zinc/26/68/75/487266875.db2.gz HPNOCMBCXVIWKZ-SNVBAGLBSA-N 2 0 186.343 2.140 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C[C@H]1CCC[C@H](C)C1 394774767 487271275 /nfs/dbraw/zinc/27/12/75/487271275.db2.gz NWYWFHALZADVSK-SRVKXCTJSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 394774764 487271306 /nfs/dbraw/zinc/27/13/06/487271306.db2.gz NWYWFHALZADVSK-GRYCIOLGSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 394774768 487271318 /nfs/dbraw/zinc/27/13/18/487271318.db2.gz NWYWFHALZADVSK-WOPDTQHZSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C)C1 394774766 487271358 /nfs/dbraw/zinc/27/13/58/487271358.db2.gz NWYWFHALZADVSK-SDDRHHMPSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+]CC1(N(C)C)CC1 397823248 487280352 /nfs/dbraw/zinc/28/03/52/487280352.db2.gz ABKIKBAOAHONHU-QWRGUYRKSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+]CC1(N(C)C)CC1 397823249 487280360 /nfs/dbraw/zinc/28/03/60/487280360.db2.gz ABKIKBAOAHONHU-WDEREUQCSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)=CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 397833538 487280456 /nfs/dbraw/zinc/28/04/56/487280456.db2.gz SFICDUQNEUUTNE-NEPJUHHUSA-N 2 0 196.338 2.202 20 0 AEADRP CC(C)=CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 397833539 487280523 /nfs/dbraw/zinc/28/05/23/487280523.db2.gz SFICDUQNEUUTNE-NWDGAFQWSA-N 2 0 196.338 2.202 20 0 AEADRP CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 397833542 487280681 /nfs/dbraw/zinc/28/06/81/487280681.db2.gz SFICDUQNEUUTNE-VXGBXAGGSA-N 2 0 196.338 2.202 20 0 AEADRP CC(C)=CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 397833540 487280780 /nfs/dbraw/zinc/28/07/80/487280780.db2.gz SFICDUQNEUUTNE-RYUDHWBXSA-N 2 0 196.338 2.202 20 0 AEADRP CC[C@@H](C)[C@@H](C)[NH2+]CC1(N(C)C)CC1 397823244 487280790 /nfs/dbraw/zinc/28/07/90/487280790.db2.gz ABKIKBAOAHONHU-GHMZBOCLSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@@H](C)[C@H](C)[NH2+]CC1(N(C)C)CC1 397823246 487280916 /nfs/dbraw/zinc/28/09/16/487280916.db2.gz ABKIKBAOAHONHU-MNOVXSKESA-N 2 0 198.354 2.105 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](C)CCC1CC1 398071898 487282266 /nfs/dbraw/zinc/28/22/66/487282266.db2.gz JJNNCIFHXGOJHM-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP C[C@H](CCC1CC1)[NH2+]CC1([NH3+])CCC1 398068070 487282357 /nfs/dbraw/zinc/28/23/57/487282357.db2.gz IAGFBKRLRPBFQO-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H](CCC1CC1)[NH2+][C@H](C)CCC[NH3+] 398072111 487282380 /nfs/dbraw/zinc/28/23/80/487282380.db2.gz JMYWDEWOWFOYNI-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CCC1CC1 398077082 487282402 /nfs/dbraw/zinc/28/24/02/487282402.db2.gz LAKUJJKLJPVDHU-JQWIXIFHSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CCC1CC1 398077084 487282435 /nfs/dbraw/zinc/28/24/35/487282435.db2.gz LAKUJJKLJPVDHU-PWSUYJOCSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CCC1CC1 398077085 487282459 /nfs/dbraw/zinc/28/24/59/487282459.db2.gz LAKUJJKLJPVDHU-ZYHUDNBSSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H](CCC1CC1)[NH2+]CC1([NH3+])CCC1 398068068 487282525 /nfs/dbraw/zinc/28/25/25/487282525.db2.gz IAGFBKRLRPBFQO-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H](C)CCC1CC1 398071899 487282538 /nfs/dbraw/zinc/28/25/38/487282538.db2.gz JJNNCIFHXGOJHM-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@H](C)CCC1CC1 398072114 487282489 /nfs/dbraw/zinc/28/24/89/487282489.db2.gz JMYWDEWOWFOYNI-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CCC1CC1 398072109 487282667 /nfs/dbraw/zinc/28/26/67/487282667.db2.gz JMYWDEWOWFOYNI-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCC1CC1 398072113 487282768 /nfs/dbraw/zinc/28/27/68/487282768.db2.gz JMYWDEWOWFOYNI-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CCC1CC1 398077080 487282794 /nfs/dbraw/zinc/28/27/94/487282794.db2.gz LAKUJJKLJPVDHU-CMPLNLGQSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCC1(C)C 666741385 487333835 /nfs/dbraw/zinc/33/38/35/487333835.db2.gz FIEUXVVBOOUOGJ-WDEREUQCSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC[C@@H](CC)[NH2+]C[C@H]1CCC[NH2+]1 666783913 487339333 /nfs/dbraw/zinc/33/93/33/487339333.db2.gz NSODLLVKSOGECF-VXGBXAGGSA-N 2 0 198.354 2.297 20 0 AEADRP CCCC[C@@H](CC)[NH2+]C[C@@H]1CCC[NH2+]1 666783909 487339343 /nfs/dbraw/zinc/33/93/43/487339343.db2.gz NSODLLVKSOGECF-NEPJUHHUSA-N 2 0 198.354 2.297 20 0 AEADRP CCC[C@H](CC)[NH2+]CC[C@H]1CC[NH2+]C1 666789060 487339346 /nfs/dbraw/zinc/33/93/46/487339346.db2.gz IJQMJTQGIBOBRQ-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCC1(C)C 666741383 487334108 /nfs/dbraw/zinc/33/41/08/487334108.db2.gz FIEUXVVBOOUOGJ-MNOVXSKESA-N 2 0 198.354 2.138 20 0 AEADRP CCCC(CCC)[NH2+]C[C@@H](C)C[NH3+] 666826660 487340605 /nfs/dbraw/zinc/34/06/05/487340605.db2.gz JHXDXYARTYVGQK-JTQLQIEISA-N 2 0 186.343 2.140 20 0 AEADRP CC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 666172143 487322592 /nfs/dbraw/zinc/32/25/92/487322592.db2.gz IMCYRLJDBJNVRH-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 666172147 487322605 /nfs/dbraw/zinc/32/26/05/487322605.db2.gz IMCYRLJDBJNVRH-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 666172142 487322754 /nfs/dbraw/zinc/32/27/54/487322754.db2.gz IMCYRLJDBJNVRH-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 666172145 487322767 /nfs/dbraw/zinc/32/27/67/487322767.db2.gz IMCYRLJDBJNVRH-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CC(C)C[C@H]1CCCC[N@@H+]1CCC[NH3+] 666642842 487331692 /nfs/dbraw/zinc/33/16/92/487331692.db2.gz OYJOEWBLMAQMMA-GFCCVEGCSA-N 2 0 198.354 2.236 20 0 AEADRP CCC[C@H](C)[C@H]1CCC[N@@H+]1CCC[NH3+] 666649726 487331784 /nfs/dbraw/zinc/33/17/84/487331784.db2.gz NIMUOFLZEWUCDC-NWDGAFQWSA-N 2 0 198.354 2.236 20 0 AEADRP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCC[NH3+] 666642753 487331865 /nfs/dbraw/zinc/33/18/65/487331865.db2.gz JNIYFEOHFZBXHP-NEPJUHHUSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)C[C@@H]1CCC[N@H+](CCC[NH3+])C1 666646067 487331897 /nfs/dbraw/zinc/33/18/97/487331897.db2.gz YRYYDRKTDQXAQZ-LBPRGKRZSA-N 2 0 198.354 2.093 20 0 AEADRP CCCCC[C@H]1CCC[N@@H+]1CCC[NH3+] 666650709 487331966 /nfs/dbraw/zinc/33/19/66/487331966.db2.gz OWRHYUBPZSTIGJ-LBPRGKRZSA-N 2 0 198.354 2.380 20 0 AEADRP CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCC[NH3+] 666649730 487331997 /nfs/dbraw/zinc/33/19/97/487331997.db2.gz NIMUOFLZEWUCDC-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP CCC(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 666652166 487332012 /nfs/dbraw/zinc/33/20/12/487332012.db2.gz BMGBYTYGECQMCO-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCC[NH3+] 666645690 487332029 /nfs/dbraw/zinc/33/20/29/487332029.db2.gz UCYQNFLWVZWLBV-NWDGAFQWSA-N 2 0 198.354 2.236 20 0 AEADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCC[NH3+] 666645694 487332064 /nfs/dbraw/zinc/33/20/64/487332064.db2.gz UCYQNFLWVZWLBV-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCC[NH3+] 666649725 487332129 /nfs/dbraw/zinc/33/21/29/487332129.db2.gz NIMUOFLZEWUCDC-NEPJUHHUSA-N 2 0 198.354 2.236 20 0 AEADRP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCC[NH3+] 666645692 487332192 /nfs/dbraw/zinc/33/21/92/487332192.db2.gz UCYQNFLWVZWLBV-RYUDHWBXSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)CC[C@H]1CCC[N@@H+]1CCC[NH3+] 666649625 487332226 /nfs/dbraw/zinc/33/22/26/487332226.db2.gz HDZQSFUTFDDKMF-GFCCVEGCSA-N 2 0 198.354 2.236 20 0 AEADRP CCC[C@]1(C)CCC[N@H+](CCC[NH3+])C1 666643014 487332258 /nfs/dbraw/zinc/33/22/58/487332258.db2.gz RIGQPQOYDOQZDL-GFCCVEGCSA-N 2 0 198.354 2.237 20 0 AEADRP CCC(C)(C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 666652164 487332276 /nfs/dbraw/zinc/33/22/76/487332276.db2.gz BMGBYTYGECQMCO-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCC[NH3+] 666642755 487332284 /nfs/dbraw/zinc/33/22/84/487332284.db2.gz JNIYFEOHFZBXHP-RYUDHWBXSA-N 2 0 198.354 2.236 20 0 AEADRP CCC(C)(C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 666652165 487332291 /nfs/dbraw/zinc/33/22/91/487332291.db2.gz BMGBYTYGECQMCO-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCC[NH3+] 666649729 487332296 /nfs/dbraw/zinc/33/22/96/487332296.db2.gz NIMUOFLZEWUCDC-RYUDHWBXSA-N 2 0 198.354 2.236 20 0 AEADRP CC1(C)C[NH+](CCC[NH3+])CC(C)(C)C1 666696058 487332323 /nfs/dbraw/zinc/33/23/23/487332323.db2.gz NYCDLCVSOOEQHK-UHFFFAOYSA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)CC[C@@H]1CCC[N@@H+]1CCC[NH3+] 666649626 487332329 /nfs/dbraw/zinc/33/23/29/487332329.db2.gz HDZQSFUTFDDKMF-LBPRGKRZSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCC[C@@H]1CCC[N@@H+]1CCC[NH3+] 666650708 487332429 /nfs/dbraw/zinc/33/24/29/487332429.db2.gz OWRHYUBPZSTIGJ-GFCCVEGCSA-N 2 0 198.354 2.380 20 0 AEADRP CCC(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 666652163 487332438 /nfs/dbraw/zinc/33/24/38/487332438.db2.gz BMGBYTYGECQMCO-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)C[C@@H]1CCCC[N@@H+]1CCC[NH3+] 666642843 487332471 /nfs/dbraw/zinc/33/24/71/487332471.db2.gz OYJOEWBLMAQMMA-LBPRGKRZSA-N 2 0 198.354 2.236 20 0 AEADRP CCC[C@@]1(C)CCC[N@H+](CCC[NH3+])C1 666643015 487332521 /nfs/dbraw/zinc/33/25/21/487332521.db2.gz RIGQPQOYDOQZDL-LBPRGKRZSA-N 2 0 198.354 2.237 20 0 AEADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1CCC[NH3+] 666642754 487332586 /nfs/dbraw/zinc/33/25/86/487332586.db2.gz JNIYFEOHFZBXHP-NWDGAFQWSA-N 2 0 198.354 2.236 20 0 AEADRP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCC[NH3+] 666642756 487332610 /nfs/dbraw/zinc/33/26/10/487332610.db2.gz JNIYFEOHFZBXHP-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP CCC[C@H]1[C@H](C)CCC[N@@H+]1CCC[NH3+] 666645687 487332624 /nfs/dbraw/zinc/33/26/24/487332624.db2.gz UCYQNFLWVZWLBV-NEPJUHHUSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)C[C@H]1CCC[N@H+](CCC[NH3+])C1 666646066 487332652 /nfs/dbraw/zinc/33/26/52/487332652.db2.gz YRYYDRKTDQXAQZ-GFCCVEGCSA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)C[C@@H](C)C[NH2+]C1CC[NH2+]CC1 666736524 487333010 /nfs/dbraw/zinc/33/30/10/487333010.db2.gz DBJGOIZJPWQOEX-LLVKDONJSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)C1(C)CC[NH+](CCC[NH3+])CC1 666707382 487333064 /nfs/dbraw/zinc/33/30/64/487333064.db2.gz IDYWMTITFMALQT-UHFFFAOYSA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+]CC1CCCCC1 666741139 487333087 /nfs/dbraw/zinc/33/30/87/487333087.db2.gz VZAMNGLSNNOYRD-GFCCVEGCSA-N 2 0 198.354 2.140 20 0 AEADRP CCC[C@@H](CC)[NH2+]C[C@H]([NH3+])C(C)C 666741262 487333122 /nfs/dbraw/zinc/33/31/22/487333122.db2.gz HTZYLMLHYZKBJM-MNOVXSKESA-N 2 0 186.343 2.138 20 0 AEADRP CCC[C@H](CC)[NH2+]C[C@@H]([NH3+])C(C)C 666741264 487333138 /nfs/dbraw/zinc/33/31/38/487333138.db2.gz HTZYLMLHYZKBJM-WDEREUQCSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)(C)[C@H]1CCC[N@H+](CCC[NH3+])C1 666715309 487333153 /nfs/dbraw/zinc/33/31/53/487333153.db2.gz PVWZGFFVLCETLZ-NSHDSACASA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CC1CCC1 666741308 487333268 /nfs/dbraw/zinc/33/32/68/487333268.db2.gz POCSXOUJIRMCNQ-ZYHUDNBSSA-N 2 0 198.354 2.138 20 0 AEADRP CCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])C(C)C 666741261 487333275 /nfs/dbraw/zinc/33/32/75/487333275.db2.gz HTZYLMLHYZKBJM-GHMZBOCLSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CC1CCC1 666741307 487333326 /nfs/dbraw/zinc/33/33/26/487333326.db2.gz POCSXOUJIRMCNQ-PWSUYJOCSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC[C@@H](CC)[NH2+]C1CC[NH2+]CC1 666736533 487333338 /nfs/dbraw/zinc/33/33/38/487333338.db2.gz JQOWMYRYUSPXDH-LLVKDONJSA-N 2 0 198.354 2.297 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CC1CCC1 666741306 487333367 /nfs/dbraw/zinc/33/33/67/487333367.db2.gz POCSXOUJIRMCNQ-JQWIXIFHSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)C[C@H](C)C[NH2+]C1CC[NH2+]CC1 666736525 487333386 /nfs/dbraw/zinc/33/33/86/487333386.db2.gz DBJGOIZJPWQOEX-NSHDSACASA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+]CC1CCCCC1 666741140 487333462 /nfs/dbraw/zinc/33/34/62/487333462.db2.gz VZAMNGLSNNOYRD-LBPRGKRZSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CC1CCC1 666741305 487333470 /nfs/dbraw/zinc/33/34/70/487333470.db2.gz POCSXOUJIRMCNQ-CMPLNLGQSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)(C)[C@@H]1CCC[N@H+](CCC[NH3+])C1 666715308 487333516 /nfs/dbraw/zinc/33/35/16/487333516.db2.gz PVWZGFFVLCETLZ-LLVKDONJSA-N 2 0 198.354 2.093 20 0 AEADRP CCC[C@H](CC)[NH2+]C[C@H]([NH3+])C(C)C 666741263 487333561 /nfs/dbraw/zinc/33/35/61/487333561.db2.gz HTZYLMLHYZKBJM-QWRGUYRKSA-N 2 0 186.343 2.138 20 0 AEADRP CCCC[C@H](CC)[NH2+]C1CC[NH2+]CC1 666736534 487333627 /nfs/dbraw/zinc/33/36/27/487333627.db2.gz JQOWMYRYUSPXDH-NSHDSACASA-N 2 0 198.354 2.297 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCC[C@H]1C 666741429 487333858 /nfs/dbraw/zinc/33/38/58/487333858.db2.gz RVWZKJKAQRVQDX-UTUOFQBUSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1C 666741427 487333957 /nfs/dbraw/zinc/33/39/57/487333957.db2.gz RVWZKJKAQRVQDX-QJPTWQEYSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](C)C1 666741390 487334114 /nfs/dbraw/zinc/33/41/14/487334114.db2.gz KDYGRTHNPLDHKA-UTUOFQBUSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1C 666741426 487334128 /nfs/dbraw/zinc/33/41/28/487334128.db2.gz RVWZKJKAQRVQDX-IJLUTSLNSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC1(C)C 666741382 487334185 /nfs/dbraw/zinc/33/41/85/487334185.db2.gz FIEUXVVBOOUOGJ-GHMZBOCLSA-N 2 0 198.354 2.138 20 0 AEADRP CC1CCC([NH2+]C[C@@H]([NH3+])C(C)C)CC1 666741421 487334192 /nfs/dbraw/zinc/33/41/92/487334192.db2.gz RETXZQGSTPRCQZ-HTAVTVPLSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](C)C1 666741388 487334258 /nfs/dbraw/zinc/33/42/58/487334258.db2.gz KDYGRTHNPLDHKA-GRYCIOLGSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCC[C@@H]1C 666741428 487334291 /nfs/dbraw/zinc/33/42/91/487334291.db2.gz RVWZKJKAQRVQDX-TUAOUCFPSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](C)C1 666741389 487334378 /nfs/dbraw/zinc/33/43/78/487334378.db2.gz KDYGRTHNPLDHKA-IJLUTSLNSA-N 2 0 198.354 2.138 20 0 AEADRP CC1CCC([NH2+]C[C@H]([NH3+])C(C)C)CC1 666741422 487334525 /nfs/dbraw/zinc/33/45/25/487334525.db2.gz RETXZQGSTPRCQZ-MCIGGMRASA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](C)C1 666741391 487334601 /nfs/dbraw/zinc/33/46/01/487334601.db2.gz KDYGRTHNPLDHKA-WOPDTQHZSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCC1(C)C 666741384 487334568 /nfs/dbraw/zinc/33/45/68/487334568.db2.gz FIEUXVVBOOUOGJ-QWRGUYRKSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC(CCC)[NH2+]CC(C)(C)[NH3+] 666752826 487334815 /nfs/dbraw/zinc/33/48/15/487334815.db2.gz NEOQECHAAHWEJA-UHFFFAOYSA-N 2 0 186.343 2.282 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@@H]1C 666753769 487334955 /nfs/dbraw/zinc/33/49/55/487334955.db2.gz ICNZEFMVWAUNMM-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@H]1C 666753766 487335049 /nfs/dbraw/zinc/33/50/49/487335049.db2.gz ICNZEFMVWAUNMM-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC1CC1 666753835 487335071 /nfs/dbraw/zinc/33/50/71/487335071.db2.gz VPGWSLGIKUJZGA-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@@H](CC)[NH2+]CC(C)(C)[NH3+] 666752838 487335133 /nfs/dbraw/zinc/33/51/33/487335133.db2.gz YWDAWODRZDOJRW-SNVBAGLBSA-N 2 0 186.343 2.282 20 0 AEADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH3+] 666752783 487335174 /nfs/dbraw/zinc/33/51/74/487335174.db2.gz AKGIQRDWTALJCM-MNOVXSKESA-N 2 0 198.354 2.138 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@H](C)C1CCC1 666754585 487335219 /nfs/dbraw/zinc/33/52/19/487335219.db2.gz TVLAHRBEOFCGAN-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCC[C@H]1C 666753767 487335294 /nfs/dbraw/zinc/33/52/94/487335294.db2.gz ICNZEFMVWAUNMM-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH3+] 666752786 487335310 /nfs/dbraw/zinc/33/53/10/487335310.db2.gz AKGIQRDWTALJCM-WDEREUQCSA-N 2 0 198.354 2.138 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCC[C@@H]1C 666753768 487335326 /nfs/dbraw/zinc/33/53/26/487335326.db2.gz ICNZEFMVWAUNMM-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH3+] 666752785 487335346 /nfs/dbraw/zinc/33/53/46/487335346.db2.gz AKGIQRDWTALJCM-QWRGUYRKSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH3+] 666752781 487335411 /nfs/dbraw/zinc/33/54/11/487335411.db2.gz AKGIQRDWTALJCM-GHMZBOCLSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H](CC1CCCC1)[NH2+]CC(C)(C)[NH3+] 666752832 487335418 /nfs/dbraw/zinc/33/54/18/487335418.db2.gz SGIRUUWHOZTLSQ-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@H](CC)[NH2+]CC(C)(C)[NH3+] 666752836 487335425 /nfs/dbraw/zinc/33/54/25/487335425.db2.gz YWDAWODRZDOJRW-JTQLQIEISA-N 2 0 186.343 2.282 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)C1CCC1 666754584 487335432 /nfs/dbraw/zinc/33/54/32/487335432.db2.gz TVLAHRBEOFCGAN-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CC1CCCC1)[NH2+]CC(C)(C)[NH3+] 666752833 487335484 /nfs/dbraw/zinc/33/54/84/487335484.db2.gz SGIRUUWHOZTLSQ-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC1CC1 666753836 487335502 /nfs/dbraw/zinc/33/55/02/487335502.db2.gz VPGWSLGIKUJZGA-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 666774671 487335647 /nfs/dbraw/zinc/33/56/47/487335647.db2.gz OUZQJPBIRXJMLI-SDDRHHMPSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 666774673 487335691 /nfs/dbraw/zinc/33/56/91/487335691.db2.gz OUZQJPBIRXJMLI-TUAOUCFPSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 666774672 487335847 /nfs/dbraw/zinc/33/58/47/487335847.db2.gz OUZQJPBIRXJMLI-SRVKXCTJSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 666774670 487335951 /nfs/dbraw/zinc/33/59/51/487335951.db2.gz OUZQJPBIRXJMLI-QJPTWQEYSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@@H](CC)[NH2+]CC[C@H]1CC[NH2+]C1 666789063 487338674 /nfs/dbraw/zinc/33/86/74/487338674.db2.gz IJQMJTQGIBOBRQ-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCC[NH2+]1 666783915 487338733 /nfs/dbraw/zinc/33/87/33/487338733.db2.gz OIAARZAGHCDZCP-NWDGAFQWSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@H](CC)[NH2+]CC[C@@H]1CC[NH2+]C1 666789062 487339310 /nfs/dbraw/zinc/33/93/10/487339310.db2.gz IJQMJTQGIBOBRQ-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC(CCC)[NH2+]C[C@H]1CCC[NH2+]1 666783306 487338759 /nfs/dbraw/zinc/33/87/59/487338759.db2.gz YXIDJRYOHKCPOY-GFCCVEGCSA-N 2 0 198.354 2.297 20 0 AEADRP CC[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]C)C1 666806945 487338771 /nfs/dbraw/zinc/33/87/71/487338771.db2.gz BQPOOZZEJPHBNP-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@H](CC)[NH2+]C[C@H]1CCC[NH2+]1 666783910 487338784 /nfs/dbraw/zinc/33/87/84/487338784.db2.gz NSODLLVKSOGECF-NWDGAFQWSA-N 2 0 198.354 2.297 20 0 AEADRP CCCC(CCC)[NH2+]C[C@@H]1CCC[NH2+]1 666783307 487338929 /nfs/dbraw/zinc/33/89/29/487338929.db2.gz YXIDJRYOHKCPOY-LBPRGKRZSA-N 2 0 198.354 2.297 20 0 AEADRP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCC[NH2+]1 666783917 487338944 /nfs/dbraw/zinc/33/89/44/487338944.db2.gz OIAARZAGHCDZCP-VXGBXAGGSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@@H](CC)[NH2+]CC[C@@H]1CC[NH2+]C1 666789061 487338960 /nfs/dbraw/zinc/33/89/60/487338960.db2.gz IJQMJTQGIBOBRQ-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CC[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]C)C1 666806946 487339317 /nfs/dbraw/zinc/33/93/17/487339317.db2.gz BQPOOZZEJPHBNP-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@H](CC)[NH2+]C[C@@H]1CCC[NH2+]1 666783911 487339039 /nfs/dbraw/zinc/33/90/39/487339039.db2.gz NSODLLVKSOGECF-RYUDHWBXSA-N 2 0 198.354 2.297 20 0 AEADRP CC[C@H]1CCC[C@H]([NH2+]CCC[NH2+]C)C1 666806947 487339319 /nfs/dbraw/zinc/33/93/19/487339319.db2.gz BQPOOZZEJPHBNP-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCC[NH2+]1 666783916 487339185 /nfs/dbraw/zinc/33/91/85/487339185.db2.gz OIAARZAGHCDZCP-RYUDHWBXSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]C)C1 666806948 487339199 /nfs/dbraw/zinc/33/91/99/487339199.db2.gz BQPOOZZEJPHBNP-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCC[NH2+]1 666783914 487339284 /nfs/dbraw/zinc/33/92/84/487339284.db2.gz OIAARZAGHCDZCP-NEPJUHHUSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+]C[C@H]1CCCC[C@H]1C 666807360 487339383 /nfs/dbraw/zinc/33/93/83/487339383.db2.gz JCHOALITZBQETA-VXGBXAGGSA-N 2 0 198.354 2.012 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H](C)CC1CCCC1 666808150 487339403 /nfs/dbraw/zinc/33/94/03/487339403.db2.gz ZAJYVUAKFVCVFZ-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+]CCC[NH2+]C1CCC(C)(C)CC1 666807639 487339429 /nfs/dbraw/zinc/33/94/29/487339429.db2.gz USUXJLWYQIWOBJ-UHFFFAOYSA-N 2 0 198.354 2.154 20 0 AEADRP CCC1CCC([NH2+]CCC[NH2+]C)CC1 666807073 487339447 /nfs/dbraw/zinc/33/94/47/487339447.db2.gz GLMUCVCCPKVLAC-UHFFFAOYSA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 666808064 487339491 /nfs/dbraw/zinc/33/94/91/487339491.db2.gz FSVWNSZVCRFJHV-GRYCIOLGSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+]C[C@@H]1CCCC[C@@H]1C 666807172 487339512 /nfs/dbraw/zinc/33/95/12/487339512.db2.gz JCHOALITZBQETA-RYUDHWBXSA-N 2 0 198.354 2.012 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1C(C)C 666808072 487339518 /nfs/dbraw/zinc/33/95/18/487339518.db2.gz IMRZQPVVBMDUSY-VXGBXAGGSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 666808090 487339637 /nfs/dbraw/zinc/33/96/37/487339637.db2.gz MTBBYEPWKOPETJ-QJPTWQEYSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1C(C)C 666808069 487339701 /nfs/dbraw/zinc/33/97/01/487339701.db2.gz IMRZQPVVBMDUSY-NEPJUHHUSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C 666808145 487339711 /nfs/dbraw/zinc/33/97/11/487339711.db2.gz YOOYGWGAVZSVSW-GRYCIOLGSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+]C[C@H]1CCCC[C@@H]1C 666807171 487339741 /nfs/dbraw/zinc/33/97/41/487339741.db2.gz JCHOALITZBQETA-NWDGAFQWSA-N 2 0 198.354 2.012 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 666808089 487339576 /nfs/dbraw/zinc/33/95/76/487339576.db2.gz MTBBYEPWKOPETJ-IJLUTSLNSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 666808065 487339582 /nfs/dbraw/zinc/33/95/82/487339582.db2.gz FSVWNSZVCRFJHV-IJLUTSLNSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+]C[C@@H]1CCCC[C@H]1C 666807166 487339758 /nfs/dbraw/zinc/33/97/58/487339758.db2.gz JCHOALITZBQETA-NEPJUHHUSA-N 2 0 198.354 2.012 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H](C)CCC(C)C 666808050 487339769 /nfs/dbraw/zinc/33/97/69/487339769.db2.gz BKLDUHKCAPFUPR-NSHDSACASA-N 2 0 186.343 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C 666808147 487339807 /nfs/dbraw/zinc/33/98/07/487339807.db2.gz YOOYGWGAVZSVSW-QJPTWQEYSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 666807474 487339823 /nfs/dbraw/zinc/33/98/23/487339823.db2.gz NVYSWOSXXOORGG-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C 666808148 487339854 /nfs/dbraw/zinc/33/98/54/487339854.db2.gz YOOYGWGAVZSVSW-SDDRHHMPSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 666808088 487339893 /nfs/dbraw/zinc/33/98/93/487339893.db2.gz MTBBYEPWKOPETJ-GRYCIOLGSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H](C)C1CCCCC1 666808078 487339930 /nfs/dbraw/zinc/33/99/30/487339930.db2.gz JHQZOBJXKWJREY-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+]CCC[NH2+][C@H](C)C1CCCCC1 666808077 487339975 /nfs/dbraw/zinc/33/99/75/487339975.db2.gz JHQZOBJXKWJREY-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+]CCC[NH2+][C@H](C)CC1CCCC1 666808149 487339983 /nfs/dbraw/zinc/33/99/83/487339983.db2.gz ZAJYVUAKFVCVFZ-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@@H](CC)[NH2+]CCC[NH2+]C 666808128 487339994 /nfs/dbraw/zinc/33/99/94/487339994.db2.gz VHZRPBDFNPILSL-LLVKDONJSA-N 2 0 186.343 2.154 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 666808091 487340031 /nfs/dbraw/zinc/34/00/31/487340031.db2.gz MTBBYEPWKOPETJ-SDDRHHMPSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 666807473 487340038 /nfs/dbraw/zinc/34/00/38/487340038.db2.gz NVYSWOSXXOORGG-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 666807472 487340043 /nfs/dbraw/zinc/34/00/43/487340043.db2.gz NVYSWOSXXOORGG-GDNZZTSVSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1C(C)C 666808070 487340053 /nfs/dbraw/zinc/34/00/53/487340053.db2.gz IMRZQPVVBMDUSY-NWDGAFQWSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@H]1C(C)C 666808071 487340061 /nfs/dbraw/zinc/34/00/61/487340061.db2.gz IMRZQPVVBMDUSY-RYUDHWBXSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@H](C)CCC(C)C 666808049 487340066 /nfs/dbraw/zinc/34/00/66/487340066.db2.gz BKLDUHKCAPFUPR-LLVKDONJSA-N 2 0 186.343 2.010 20 0 AEADRP CCCC(CCC)[NH2+]CCC[NH2+]C 666807624 487340072 /nfs/dbraw/zinc/34/00/72/487340072.db2.gz SMOLKMQWASRBBR-UHFFFAOYSA-N 2 0 186.343 2.154 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 666808066 487340089 /nfs/dbraw/zinc/34/00/89/487340089.db2.gz FSVWNSZVCRFJHV-QJPTWQEYSA-N 2 0 198.354 2.010 20 0 AEADRP CCCC[C@H](CC)[NH2+]CCC[NH2+]C 666808129 487340114 /nfs/dbraw/zinc/34/01/14/487340114.db2.gz VHZRPBDFNPILSL-NSHDSACASA-N 2 0 186.343 2.154 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CCCCC1(C)C 666807627 487340120 /nfs/dbraw/zinc/34/01/20/487340120.db2.gz SQHMIPQTHYQNGL-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 666808067 487340129 /nfs/dbraw/zinc/34/01/29/487340129.db2.gz FSVWNSZVCRFJHV-SDDRHHMPSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@H]1CCCCC1(C)C 666807628 487340145 /nfs/dbraw/zinc/34/01/45/487340145.db2.gz SQHMIPQTHYQNGL-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 666808146 487340157 /nfs/dbraw/zinc/34/01/57/487340157.db2.gz YOOYGWGAVZSVSW-IJLUTSLNSA-N 2 0 198.354 2.010 20 0 AEADRP CCCC[C@H](CC)[NH2+]C[C@H](C)C[NH3+] 666826702 487340291 /nfs/dbraw/zinc/34/02/91/487340291.db2.gz VGQONNTZYOVEFF-MNOVXSKESA-N 2 0 186.343 2.140 20 0 AEADRP C[C@@H](CC1CCC1)[NH2+]CC1([NH3+])CCC1 666827576 487340404 /nfs/dbraw/zinc/34/04/04/487340404.db2.gz BFHBJLGKOVTCFC-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CCCC[C@H](CC)[NH2+]CC1([NH3+])CCC1 666827593 487340578 /nfs/dbraw/zinc/34/05/78/487340578.db2.gz IPFAYQYISLQXET-NSHDSACASA-N 2 0 198.354 2.426 20 0 AEADRP CCCC[C@@H](CC)[NH2+]CC1([NH3+])CCC1 666827592 487340502 /nfs/dbraw/zinc/34/05/02/487340502.db2.gz IPFAYQYISLQXET-LLVKDONJSA-N 2 0 198.354 2.426 20 0 AEADRP CC(C)C[C@H](C)C[NH2+]CC1([NH3+])CCC1 666827614 487340524 /nfs/dbraw/zinc/34/05/24/487340524.db2.gz OCTABJFCUYDSCQ-NSHDSACASA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+]CC1([NH3+])CCC1 666827623 487340613 /nfs/dbraw/zinc/34/06/13/487340613.db2.gz PHPHZJLFYKEIDF-LLVKDONJSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CC1CCC1)[NH2+]CC1([NH3+])CCC1 666827577 487340667 /nfs/dbraw/zinc/34/06/67/487340667.db2.gz BFHBJLGKOVTCFC-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H](CC1CCCC1)[NH2+]C[C@H](C)C[NH3+] 666826657 487340874 /nfs/dbraw/zinc/34/08/74/487340874.db2.gz IIYQZKVZZHBLIJ-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](CC[NH3+])[NH2+][C@@H](C)C1CCCCC1 666833238 487341470 /nfs/dbraw/zinc/34/14/70/487341470.db2.gz YAGVMNOPPRNQKE-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H]1CCCC1(C)C 666820064 487340779 /nfs/dbraw/zinc/34/07/79/487340779.db2.gz SVNPVAMCWQVORS-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CC1CCCC1 666826658 487340798 /nfs/dbraw/zinc/34/07/98/487340798.db2.gz IIYQZKVZZHBLIJ-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP CCCC[C@@H](CC)[NH2+]C[C@H](C)C[NH3+] 666826701 487340804 /nfs/dbraw/zinc/34/08/04/487340804.db2.gz VGQONNTZYOVEFF-GHMZBOCLSA-N 2 0 186.343 2.140 20 0 AEADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CC1CCCC1 666826656 487340816 /nfs/dbraw/zinc/34/08/16/487340816.db2.gz IIYQZKVZZHBLIJ-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP CCCC[C@@H](CC)[NH2+]C[C@@H](C)C[NH3+] 666826704 487340841 /nfs/dbraw/zinc/34/08/41/487340841.db2.gz VGQONNTZYOVEFF-WDEREUQCSA-N 2 0 186.343 2.140 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H]1CCCC1(C)C 666820065 487340878 /nfs/dbraw/zinc/34/08/78/487340878.db2.gz SVNPVAMCWQVORS-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H](C)CC1CCC1 666820782 487340925 /nfs/dbraw/zinc/34/09/25/487340925.db2.gz ACPAERPMTKIUHW-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CCCC(CCC)[NH2+]C[C@H](C)C[NH3+] 666826661 487340943 /nfs/dbraw/zinc/34/09/43/487340943.db2.gz JHXDXYARTYVGQK-SNVBAGLBSA-N 2 0 186.343 2.140 20 0 AEADRP CC(C)C[C@@H](C)C[NH2+]CC1([NH3+])CCC1 666827613 487340948 /nfs/dbraw/zinc/34/09/48/487340948.db2.gz OCTABJFCUYDSCQ-LLVKDONJSA-N 2 0 198.354 2.140 20 0 AEADRP CCCC[C@H](CC)[NH2+]C[C@@H](C)C[NH3+] 666826703 487340961 /nfs/dbraw/zinc/34/09/61/487340961.db2.gz VGQONNTZYOVEFF-QWRGUYRKSA-N 2 0 186.343 2.140 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](C)CC1CCC1 666820781 487340974 /nfs/dbraw/zinc/34/09/74/487340974.db2.gz ACPAERPMTKIUHW-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP C[C@@H](C[NH3+])C[NH2+][C@H](C)CC1CCCC1 666826659 487340984 /nfs/dbraw/zinc/34/09/84/487340984.db2.gz IIYQZKVZZHBLIJ-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP CCCC[C@H](CC)[NH2+]C[C@H]([NH3+])C1CC1 666835045 487341009 /nfs/dbraw/zinc/34/10/09/487341009.db2.gz KYVIFRWTNIRWHO-RYUDHWBXSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC(CCC)[NH2+]C[C@H]([NH3+])C1CC1 666835032 487341036 /nfs/dbraw/zinc/34/10/36/487341036.db2.gz HAVCNYFHGMQPBO-LBPRGKRZSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@H](CC)[NH2+]C[C@@H]([NH3+])C1CC1 666835044 487341096 /nfs/dbraw/zinc/34/10/96/487341096.db2.gz KYVIFRWTNIRWHO-NWDGAFQWSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CCCC[C@H]1C[NH2+][C@H](C)CC[NH3+] 666832338 487341103 /nfs/dbraw/zinc/34/11/03/487341103.db2.gz MIURJLBIGUNWNS-TUAOUCFPSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](CC[NH3+])[NH2+]C[C@H]1CCCC[C@H]1C 666832336 487341122 /nfs/dbraw/zinc/34/11/22/487341122.db2.gz MIURJLBIGUNWNS-IJLUTSLNSA-N 2 0 198.354 2.140 20 0 AEADRP CCCC[C@@H](CC)[NH2+]C[C@H]([NH3+])C1CC1 666835043 487341195 /nfs/dbraw/zinc/34/11/95/487341195.db2.gz KYVIFRWTNIRWHO-NEPJUHHUSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC(CCC)[NH2+]C[C@@H]([NH3+])C1CC1 666835031 487341279 /nfs/dbraw/zinc/34/12/79/487341279.db2.gz HAVCNYFHGMQPBO-GFCCVEGCSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC(CCC)[NH2+]CC1([NH3+])CCC1 666828459 487341316 /nfs/dbraw/zinc/34/13/16/487341316.db2.gz XSEPVSUPXZSMIM-UHFFFAOYSA-N 2 0 198.354 2.426 20 0 AEADRP CCC[C@H](CC)[NH2+]CC1([NH3+])CCC1 666827628 487341338 /nfs/dbraw/zinc/34/13/38/487341338.db2.gz UNTMBQYAICPVAV-JTQLQIEISA-N 2 0 184.327 2.036 20 0 AEADRP C[C@H]1CCCC[C@@H]1C[NH2+][C@H](C)CC[NH3+] 666832337 487341341 /nfs/dbraw/zinc/34/13/41/487341341.db2.gz MIURJLBIGUNWNS-QJPTWQEYSA-N 2 0 198.354 2.140 20 0 AEADRP CCCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])C1CC1 666835046 487341347 /nfs/dbraw/zinc/34/13/47/487341347.db2.gz KYVIFRWTNIRWHO-VXGBXAGGSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 666835058 487341353 /nfs/dbraw/zinc/34/13/53/487341353.db2.gz QSLBUQXYPAFCDR-PWSUYJOCSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)CC[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 666835056 487341372 /nfs/dbraw/zinc/34/13/72/487341372.db2.gz QSLBUQXYPAFCDR-CMPLNLGQSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H](CC[NH3+])[NH2+][C@H](C)C1CCCCC1 666833239 487341383 /nfs/dbraw/zinc/34/13/83/487341383.db2.gz YAGVMNOPPRNQKE-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH2+][C@H](C)CC[NH3+])C1CCCCC1 666833237 487341388 /nfs/dbraw/zinc/34/13/88/487341388.db2.gz YAGVMNOPPRNQKE-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CC[NH3+])[NH2+][C@H](C)C1CCCCC1 666833236 487341434 /nfs/dbraw/zinc/34/14/34/487341434.db2.gz YAGVMNOPPRNQKE-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CC[C@H](C)[NH2+]CC1([NH3+])CCC1 666827624 487341457 /nfs/dbraw/zinc/34/14/57/487341457.db2.gz PHPHZJLFYKEIDF-NSHDSACASA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CC[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 666835057 487341550 /nfs/dbraw/zinc/34/15/50/487341550.db2.gz QSLBUQXYPAFCDR-JQWIXIFHSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 666835059 487341616 /nfs/dbraw/zinc/34/16/16/487341616.db2.gz QSLBUQXYPAFCDR-ZYHUDNBSSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H](CC[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1C 666832339 487341636 /nfs/dbraw/zinc/34/16/36/487341636.db2.gz MIURJLBIGUNWNS-UTUOFQBUSA-N 2 0 198.354 2.140 20 0 AEADRP CCC[C@@H](CC)[NH2+]CC1([NH3+])CCC1 666827629 487341709 /nfs/dbraw/zinc/34/17/09/487341709.db2.gz UNTMBQYAICPVAV-SNVBAGLBSA-N 2 0 184.327 2.036 20 0 AEADRP CCC[C@H](CC)[NH2+][C@H]1CC[NH2+][C@H](C)C1 666874221 487343979 /nfs/dbraw/zinc/34/39/79/487343979.db2.gz HZVKKUACBSEZDL-WOPDTQHZSA-N 2 0 198.354 2.295 20 0 AEADRP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CC[NH2+]1 666874213 487344006 /nfs/dbraw/zinc/34/40/06/487344006.db2.gz DZUIHWWHXJVWLV-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(CC)C[NH2+][C@H]1CC[NH2+][C@H](C)C1 666873272 487344026 /nfs/dbraw/zinc/34/40/26/487344026.db2.gz STMXBVONOLWAJT-PWSUYJOCSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](CC)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 666874219 487344092 /nfs/dbraw/zinc/34/40/92/487344092.db2.gz HZVKKUACBSEZDL-SDDRHHMPSA-N 2 0 198.354 2.295 20 0 AEADRP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CC[NH2+]1 666874212 487344098 /nfs/dbraw/zinc/34/40/98/487344098.db2.gz DZUIHWWHXJVWLV-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CCC[NH2+][C@H]1CC[NH2+][C@H](C)C1 666874254 487344123 /nfs/dbraw/zinc/34/41/23/487344123.db2.gz VCHJHIMTWRCRIF-NEPJUHHUSA-N 2 0 198.354 2.153 20 0 AEADRP CCCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 666874189 487344131 /nfs/dbraw/zinc/34/41/31/487344131.db2.gz AMXFTJRFWNSVIV-QJPTWQEYSA-N 2 0 198.354 2.295 20 0 AEADRP CCC(CC)C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 666873273 487344167 /nfs/dbraw/zinc/34/41/67/487344167.db2.gz STMXBVONOLWAJT-ZYHUDNBSSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 666874255 487344206 /nfs/dbraw/zinc/34/42/06/487344206.db2.gz VCHJHIMTWRCRIF-NWDGAFQWSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(CC)C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 666873270 487344248 /nfs/dbraw/zinc/34/42/48/487344248.db2.gz STMXBVONOLWAJT-CMPLNLGQSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](CC)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 666874220 487344325 /nfs/dbraw/zinc/34/43/25/487344325.db2.gz HZVKKUACBSEZDL-SRVKXCTJSA-N 2 0 198.354 2.295 20 0 AEADRP CCCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 666874192 487344333 /nfs/dbraw/zinc/34/43/33/487344333.db2.gz AMXFTJRFWNSVIV-SDDRHHMPSA-N 2 0 198.354 2.295 20 0 AEADRP CCCC[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 666874198 487344349 /nfs/dbraw/zinc/34/43/49/487344349.db2.gz AMXFTJRFWNSVIV-TUAOUCFPSA-N 2 0 198.354 2.295 20 0 AEADRP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CC[NH2+]1 666874211 487344525 /nfs/dbraw/zinc/34/45/25/487344525.db2.gz DZUIHWWHXJVWLV-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CCCC[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 666874195 487344532 /nfs/dbraw/zinc/34/45/32/487344532.db2.gz AMXFTJRFWNSVIV-SRVKXCTJSA-N 2 0 198.354 2.295 20 0 AEADRP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CC[NH2+]1 666874214 487344591 /nfs/dbraw/zinc/34/45/91/487344591.db2.gz DZUIHWWHXJVWLV-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](CC)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 666874218 487344618 /nfs/dbraw/zinc/34/46/18/487344618.db2.gz HZVKKUACBSEZDL-GRYCIOLGSA-N 2 0 198.354 2.295 20 0 AEADRP CCC(CC)C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 666873271 487344653 /nfs/dbraw/zinc/34/46/53/487344653.db2.gz STMXBVONOLWAJT-JQWIXIFHSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC1CCC1 666878527 487344934 /nfs/dbraw/zinc/34/49/34/487344934.db2.gz GJIOYKVQQVEOTK-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)(C)CC[NH2+]C1(C)CC[NH2+]CC1 666882273 487344955 /nfs/dbraw/zinc/34/49/55/487344955.db2.gz VGSIYLSVBNOFPW-UHFFFAOYSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[C@H](C)[NH2+]C[C@@H](C)[NH2+]CC 666877401 487345015 /nfs/dbraw/zinc/34/50/15/487345015.db2.gz NRIQOKICHRLWMA-WDEREUQCSA-N 2 0 186.343 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C 666877389 487345025 /nfs/dbraw/zinc/34/50/25/487345025.db2.gz HAAAXMWUDNRGOO-IJLUTSLNSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC(C)(C)C1 666877420 487345061 /nfs/dbraw/zinc/34/50/61/487345061.db2.gz WPNAYRVADRMZKP-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@@H](C)C1 666877369 487345070 /nfs/dbraw/zinc/34/50/70/487345070.db2.gz AQGMFPJRPMPTOO-UTUOFQBUSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CCC[NH2+]C1(C)CC[NH2+]CC1 666882226 487345090 /nfs/dbraw/zinc/34/50/90/487345090.db2.gz GUUWWTBXMRWDMN-UHFFFAOYSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCC[C@H]1C 666877392 487345093 /nfs/dbraw/zinc/34/50/93/487345093.db2.gz HAAAXMWUDNRGOO-UTUOFQBUSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+]CCCC(C)C 666878589 487345001 /nfs/dbraw/zinc/34/50/01/487345001.db2.gz QWOSNYCMVOTWBN-LLVKDONJSA-N 2 0 186.343 2.010 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC1CCC1 666878528 487345140 /nfs/dbraw/zinc/34/51/40/487345140.db2.gz GJIOYKVQQVEOTK-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+]CC(CC)CC 666877227 487345146 /nfs/dbraw/zinc/34/51/46/487345146.db2.gz GDGCAJRVVPBFNX-SNVBAGLBSA-N 2 0 186.343 2.010 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCC1(C)C 666877385 487345197 /nfs/dbraw/zinc/34/51/97/487345197.db2.gz GKAUEKFWWBTMSK-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+]CCC(C)(C)C 666878601 487345157 /nfs/dbraw/zinc/34/51/57/487345157.db2.gz VXQKODREJRRTBG-SNVBAGLBSA-N 2 0 186.343 2.010 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+]CC1CCCCC1 666877236 487345162 /nfs/dbraw/zinc/34/51/62/487345162.db2.gz KUKPRLKZYFXJMN-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCC1(C)C 666877386 487345174 /nfs/dbraw/zinc/34/51/74/487345174.db2.gz GKAUEKFWWBTMSK-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC(C)C 666877364 487345254 /nfs/dbraw/zinc/34/52/54/487345254.db2.gz ACDUMMNRHJLFPT-GHMZBOCLSA-N 2 0 186.343 2.009 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C 666877391 487345273 /nfs/dbraw/zinc/34/52/73/487345273.db2.gz HAAAXMWUDNRGOO-TUAOUCFPSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC(C)C 666877365 487345304 /nfs/dbraw/zinc/34/53/04/487345304.db2.gz ACDUMMNRHJLFPT-WDEREUQCSA-N 2 0 186.343 2.009 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+]C1CCC(C)CC1 666877393 487345231 /nfs/dbraw/zinc/34/52/31/487345231.db2.gz HIQSTNZXHAPUAV-MOENNCHZSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC(C)(C)C1 666877419 487345411 /nfs/dbraw/zinc/34/54/11/487345411.db2.gz WPNAYRVADRMZKP-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](CC)[NH2+]C[C@@H](C)[NH2+]CC 666877405 487345440 /nfs/dbraw/zinc/34/54/40/487345440.db2.gz PNNOUDGGMNPBTP-MNOVXSKESA-N 2 0 186.343 2.153 20 0 AEADRP CCC[C@@H](CC)[NH2+]C[C@@H](C)[NH2+]CC 666877404 487345473 /nfs/dbraw/zinc/34/54/73/487345473.db2.gz PNNOUDGGMNPBTP-GHMZBOCLSA-N 2 0 186.343 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCC1CC1 666878597 487345489 /nfs/dbraw/zinc/34/54/89/487345489.db2.gz UNMYKZZUIKINIR-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CCCC[C@@H](C)[NH2+]C[C@@H](C)[NH2+]CC 666877400 487345519 /nfs/dbraw/zinc/34/55/19/487345519.db2.gz NRIQOKICHRLWMA-GHMZBOCLSA-N 2 0 186.343 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H](C)C1 666877367 487345541 /nfs/dbraw/zinc/34/55/41/487345541.db2.gz AQGMFPJRPMPTOO-QJPTWQEYSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1 666874257 487345554 /nfs/dbraw/zinc/34/55/54/487345554.db2.gz VCHJHIMTWRCRIF-VXGBXAGGSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCC1CC1 666878598 487345602 /nfs/dbraw/zinc/34/56/02/487345602.db2.gz UNMYKZZUIKINIR-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)C1 666877366 487345660 /nfs/dbraw/zinc/34/56/60/487345660.db2.gz AQGMFPJRPMPTOO-IJLUTSLNSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+]C1CCCCCC1 666877375 487345668 /nfs/dbraw/zinc/34/56/68/487345668.db2.gz CWKPWTNCVNMPRQ-LLVKDONJSA-N 2 0 198.354 2.297 20 0 AEADRP CCC(CC)C[NH2+]C1(C)CC[NH2+]CC1 666881386 487345678 /nfs/dbraw/zinc/34/56/78/487345678.db2.gz HUNFPJAECVXQBT-UHFFFAOYSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C 666877390 487345711 /nfs/dbraw/zinc/34/57/11/487345711.db2.gz HAAAXMWUDNRGOO-QJPTWQEYSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H](C)C1 666877368 487345749 /nfs/dbraw/zinc/34/57/49/487345749.db2.gz AQGMFPJRPMPTOO-TUAOUCFPSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 666874256 487345767 /nfs/dbraw/zinc/34/57/67/487345767.db2.gz VCHJHIMTWRCRIF-RYUDHWBXSA-N 2 0 198.354 2.153 20 0 AEADRP CCCC[C@@H](CC)[NH2+]C[C@H]([NH3+])CC 666911254 487347949 /nfs/dbraw/zinc/34/79/49/487347949.db2.gz RXXNYXBRRRUUEE-GHMZBOCLSA-N 2 0 186.343 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C[C@H]1CCCC[C@@H]1C 666910404 487347958 /nfs/dbraw/zinc/34/79/58/487347958.db2.gz BJUCVYBBQXHYCE-TUAOUCFPSA-N 2 0 198.354 2.140 20 0 AEADRP CCCC[C@H](CC)[NH2+]C[C@@H]([NH3+])CC 666911256 487347991 /nfs/dbraw/zinc/34/79/91/487347991.db2.gz RXXNYXBRRRUUEE-QWRGUYRKSA-N 2 0 186.343 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C[C@@H]1CCCC[C@H]1C 666910406 487347999 /nfs/dbraw/zinc/34/79/99/487347999.db2.gz BJUCVYBBQXHYCE-WOPDTQHZSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C 666911151 487348005 /nfs/dbraw/zinc/34/80/05/487348005.db2.gz BGTJXFYFCLLSTQ-WHOHXGKFSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C 666911150 487348039 /nfs/dbraw/zinc/34/80/39/487348039.db2.gz BGTJXFYFCLLSTQ-NOOOWODRSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C[C@@H]1CCCC[C@@H]1C 666910403 487348067 /nfs/dbraw/zinc/34/80/67/487348067.db2.gz BJUCVYBBQXHYCE-SRVKXCTJSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C1CCC(C)(C)CC1 666911163 487348119 /nfs/dbraw/zinc/34/81/19/487348119.db2.gz BSMXDLUXENVYEE-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+]CC1CCCCCC1 666910478 487348128 /nfs/dbraw/zinc/34/81/28/487348128.db2.gz ZTFNORJXUNYIGZ-GFCCVEGCSA-N 2 0 198.354 2.284 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C 666911149 487348135 /nfs/dbraw/zinc/34/81/35/487348135.db2.gz BGTJXFYFCLLSTQ-FIQHERPVSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCCC1(C)C 666911216 487348013 /nfs/dbraw/zinc/34/80/13/487348013.db2.gz KLWNYONXUOBBLK-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCC(C)C 666911247 487348142 /nfs/dbraw/zinc/34/81/42/487348142.db2.gz PYNVHWOTWFRHJE-WDEREUQCSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C[C@H]1CCCC[C@H]1C 666910405 487348221 /nfs/dbraw/zinc/34/82/21/487348221.db2.gz BJUCVYBBQXHYCE-UTUOFQBUSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+]C1CCC(C)(C)CC1 666911165 487348230 /nfs/dbraw/zinc/34/82/30/487348230.db2.gz BSMXDLUXENVYEE-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]CC1CCCCCC1 666910479 487348251 /nfs/dbraw/zinc/34/82/51/487348251.db2.gz ZTFNORJXUNYIGZ-LBPRGKRZSA-N 2 0 198.354 2.284 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 666911203 487348273 /nfs/dbraw/zinc/34/82/73/487348273.db2.gz HWORDCVPDYZJNM-WISYIIOYSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCCC1(C)C 666911213 487348327 /nfs/dbraw/zinc/34/83/27/487348327.db2.gz KLWNYONXUOBBLK-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 666904123 487348335 /nfs/dbraw/zinc/34/83/35/487348335.db2.gz XDUHDUHTPMQXKD-NWDGAFQWSA-N 2 0 198.354 2.297 20 0 AEADRP CCCC[C@H](CC)[NH2+]C[C@H]([NH3+])CC 666911255 487348343 /nfs/dbraw/zinc/34/83/43/487348343.db2.gz RXXNYXBRRRUUEE-MNOVXSKESA-N 2 0 186.343 2.282 20 0 AEADRP CCC1CCC([NH2+]C[C@@H]([NH3+])CC)CC1 666911167 487348348 /nfs/dbraw/zinc/34/83/48/487348348.db2.gz CLTAZHUHRQXGTJ-CXQJBGSLSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCCC1(C)C 666911212 487348389 /nfs/dbraw/zinc/34/83/89/487348389.db2.gz KLWNYONXUOBBLK-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CCC1CCC([NH2+]C[C@H]([NH3+])CC)CC1 666911168 487348419 /nfs/dbraw/zinc/34/84/19/487348419.db2.gz CLTAZHUHRQXGTJ-MOENNCHZSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCC(C)C 666911246 487348427 /nfs/dbraw/zinc/34/84/27/487348427.db2.gz PYNVHWOTWFRHJE-QWRGUYRKSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCCCC1(C)C 666911214 487348487 /nfs/dbraw/zinc/34/84/87/487348487.db2.gz KLWNYONXUOBBLK-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])CC 666911257 487348492 /nfs/dbraw/zinc/34/84/92/487348492.db2.gz RXXNYXBRRRUUEE-WDEREUQCSA-N 2 0 186.343 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 666911195 487348528 /nfs/dbraw/zinc/34/85/28/487348528.db2.gz HWORDCVPDYZJNM-FIQHERPVSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 666911152 487348578 /nfs/dbraw/zinc/34/85/78/487348578.db2.gz BGTJXFYFCLLSTQ-WISYIIOYSA-N 2 0 198.354 2.138 20 0 AEADRP CCC[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 666904122 487348595 /nfs/dbraw/zinc/34/85/95/487348595.db2.gz XDUHDUHTPMQXKD-NEPJUHHUSA-N 2 0 198.354 2.297 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 666911197 487348622 /nfs/dbraw/zinc/34/86/22/487348622.db2.gz HWORDCVPDYZJNM-NOOOWODRSA-N 2 0 198.354 2.138 20 0 AEADRP CCC[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 666904124 487348649 /nfs/dbraw/zinc/34/86/49/487348649.db2.gz XDUHDUHTPMQXKD-RYUDHWBXSA-N 2 0 198.354 2.297 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCC(C)C 666911245 487348666 /nfs/dbraw/zinc/34/86/66/487348666.db2.gz PYNVHWOTWFRHJE-MNOVXSKESA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCC(C)C 666911244 487348675 /nfs/dbraw/zinc/34/86/75/487348675.db2.gz PYNVHWOTWFRHJE-GHMZBOCLSA-N 2 0 186.343 2.138 20 0 AEADRP CCC[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 666904125 487348681 /nfs/dbraw/zinc/34/86/81/487348681.db2.gz XDUHDUHTPMQXKD-VXGBXAGGSA-N 2 0 198.354 2.297 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 666911200 487348685 /nfs/dbraw/zinc/34/86/85/487348685.db2.gz HWORDCVPDYZJNM-WHOHXGKFSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 666911663 487348826 /nfs/dbraw/zinc/34/88/26/487348826.db2.gz BTHIIKZLFFCCOK-WHOHXGKFSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1C(C)C 666911707 487348834 /nfs/dbraw/zinc/34/88/34/487348834.db2.gz ZGVMJVAEIIYRKC-QJPTWQEYSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC(CCC)[NH2+]C[C@H]([NH3+])CC 666911283 487348863 /nfs/dbraw/zinc/34/88/63/487348863.db2.gz XUXLRWILYDGBOZ-SNVBAGLBSA-N 2 0 186.343 2.282 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CC1CCCC1 666911276 487348871 /nfs/dbraw/zinc/34/88/71/487348871.db2.gz WXDDUJOUIHNOLH-CMPLNLGQSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C[C@H]1CCC[C@H](C)C1 666911653 487348918 /nfs/dbraw/zinc/34/89/18/487348918.db2.gz AERJZYPWJUNEMQ-SRVKXCTJSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](CC)C1 666911286 487348940 /nfs/dbraw/zinc/34/89/40/487348940.db2.gz YUFTVQBUWXLSAU-SRVKXCTJSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1C(C)C 666911710 487348992 /nfs/dbraw/zinc/34/89/92/487348992.db2.gz ZGVMJVAEIIYRKC-TUAOUCFPSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](CC)C1 666911285 487349025 /nfs/dbraw/zinc/34/90/25/487349025.db2.gz YUFTVQBUWXLSAU-SDDRHHMPSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC1CCCC1 666911279 487349034 /nfs/dbraw/zinc/34/90/34/487349034.db2.gz WXDDUJOUIHNOLH-ZYHUDNBSSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 666911661 487349082 /nfs/dbraw/zinc/34/90/82/487349082.db2.gz BTHIIKZLFFCCOK-FIQHERPVSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C[C@@H]1CCC[C@@H](C)C1 666911655 487349091 /nfs/dbraw/zinc/34/90/91/487349091.db2.gz AERJZYPWJUNEMQ-UTUOFQBUSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C1C[C@H](C)C[C@@H](C)C1 666911291 487349146 /nfs/dbraw/zinc/34/91/46/487349146.db2.gz YWRDTNLRWBSORI-MXWKQRLJSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC(CCC)[NH2+]C[C@@H]([NH3+])CC 666911282 487349155 /nfs/dbraw/zinc/34/91/55/487349155.db2.gz XUXLRWILYDGBOZ-JTQLQIEISA-N 2 0 186.343 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CC1CCCC1 666911277 487349162 /nfs/dbraw/zinc/34/91/62/487349162.db2.gz WXDDUJOUIHNOLH-JQWIXIFHSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 666911289 487349188 /nfs/dbraw/zinc/34/91/88/487349188.db2.gz YWRDTNLRWBSORI-KXNHARMFSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1C(C)C 666911708 487349202 /nfs/dbraw/zinc/34/92/02/487349202.db2.gz ZGVMJVAEIIYRKC-SDDRHHMPSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)C1CCCCC1 666911691 487349207 /nfs/dbraw/zinc/34/92/07/487349207.db2.gz VKVUWLKJQSPZEG-CMPLNLGQSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C1C[C@@H](C)C[C@H](C)C1 666911288 487349212 /nfs/dbraw/zinc/34/92/12/487349212.db2.gz YWRDTNLRWBSORI-DCAQKATOSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H](C)C1CCCCC1 666911693 487349230 /nfs/dbraw/zinc/34/92/30/487349230.db2.gz VKVUWLKJQSPZEG-PWSUYJOCSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 666911662 487349236 /nfs/dbraw/zinc/34/92/36/487349236.db2.gz BTHIIKZLFFCCOK-NOOOWODRSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C[C@H]1CCC[C@@H](C)C1 666911656 487349280 /nfs/dbraw/zinc/34/92/80/487349280.db2.gz AERJZYPWJUNEMQ-WOPDTQHZSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 666911664 487349292 /nfs/dbraw/zinc/34/92/92/487349292.db2.gz BTHIIKZLFFCCOK-WISYIIOYSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 666911292 487349311 /nfs/dbraw/zinc/34/93/11/487349311.db2.gz YWRDTNLRWBSORI-WHOHXGKFSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](CC)C1 666911287 487349327 /nfs/dbraw/zinc/34/93/27/487349327.db2.gz YUFTVQBUWXLSAU-WOPDTQHZSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CC1CCCC1 666911278 487349351 /nfs/dbraw/zinc/34/93/51/487349351.db2.gz WXDDUJOUIHNOLH-PWSUYJOCSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)C1CCCCC1 666911692 487349394 /nfs/dbraw/zinc/34/93/94/487349394.db2.gz VKVUWLKJQSPZEG-JQWIXIFHSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1C(C)C 666911709 487349426 /nfs/dbraw/zinc/34/94/26/487349426.db2.gz ZGVMJVAEIIYRKC-SRVKXCTJSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)C1CCCCC1 666911694 487349444 /nfs/dbraw/zinc/34/94/44/487349444.db2.gz VKVUWLKJQSPZEG-ZYHUDNBSSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](CC)C1 666911284 487349469 /nfs/dbraw/zinc/34/94/69/487349469.db2.gz YUFTVQBUWXLSAU-GRYCIOLGSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C[C@@H]1CCC[C@H](C)C1 666911654 487349456 /nfs/dbraw/zinc/34/94/56/487349456.db2.gz AERJZYPWJUNEMQ-TUAOUCFPSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](CC1CCC1)[NH2+][C@H](C)CCC[NH3+] 666942104 487350044 /nfs/dbraw/zinc/35/00/44/487350044.db2.gz REPUDZOUIXTULS-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC1CCC1 666942103 487350211 /nfs/dbraw/zinc/35/02/11/487350211.db2.gz REPUDZOUIXTULS-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@H](C)CC1CCC1 666942106 487350579 /nfs/dbraw/zinc/35/05/79/487350579.db2.gz REPUDZOUIXTULS-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC1CCC1 666942105 487350600 /nfs/dbraw/zinc/35/06/00/487350600.db2.gz REPUDZOUIXTULS-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@H](CC)[NH2+][C@H]1CC[C@H](C[NH3+])C1 666963968 487350954 /nfs/dbraw/zinc/35/09/54/487350954.db2.gz SABYKEHZSNGBST-SRVKXCTJSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CCC[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 666964012 487351029 /nfs/dbraw/zinc/35/10/29/487351029.db2.gz YSILNBWKUZNEHE-VXGBXAGGSA-N 2 0 198.354 2.140 20 0 AEADRP CCCC[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 666963954 487351054 /nfs/dbraw/zinc/35/10/54/487351054.db2.gz QBRZRSDJPNSGAO-SRVKXCTJSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 666963953 487351073 /nfs/dbraw/zinc/35/10/73/487351073.db2.gz QBRZRSDJPNSGAO-SDDRHHMPSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 666963955 487351135 /nfs/dbraw/zinc/35/11/35/487351135.db2.gz QBRZRSDJPNSGAO-TUAOUCFPSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 666963952 487351154 /nfs/dbraw/zinc/35/11/54/487351154.db2.gz QBRZRSDJPNSGAO-QJPTWQEYSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CCC[NH2+][C@@H]1CC[C@H](C[NH3+])C1 666964010 487351176 /nfs/dbraw/zinc/35/11/76/487351176.db2.gz YSILNBWKUZNEHE-NWDGAFQWSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)CCC[NH2+][C@H]1CC[C@@H](C[NH3+])C1 666964009 487351181 /nfs/dbraw/zinc/35/11/81/487351181.db2.gz YSILNBWKUZNEHE-NEPJUHHUSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)CC[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 666963920 487351200 /nfs/dbraw/zinc/35/12/00/487351200.db2.gz GEMQYNFLMLLAQW-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)CC[NH2+][C@H]1CC[C@@H](C[NH3+])C1 666963921 487351250 /nfs/dbraw/zinc/35/12/50/487351250.db2.gz GEMQYNFLMLLAQW-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)CC[NH2+][C@H]1CC[C@H](C[NH3+])C1 666963922 487351261 /nfs/dbraw/zinc/35/12/61/487351261.db2.gz GEMQYNFLMLLAQW-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP CCC(CC)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 666963052 487351271 /nfs/dbraw/zinc/35/12/71/487351271.db2.gz BSMKGFCIUXYPMV-NWDGAFQWSA-N 2 0 198.354 2.140 20 0 AEADRP CCC(CC)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 666963053 487351288 /nfs/dbraw/zinc/35/12/88/487351288.db2.gz BSMKGFCIUXYPMV-RYUDHWBXSA-N 2 0 198.354 2.140 20 0 AEADRP CCC[C@H](CC)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 666963967 487351340 /nfs/dbraw/zinc/35/13/40/487351340.db2.gz SABYKEHZSNGBST-SDDRHHMPSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CCC[NH2+][C@H]1CC[C@H](C[NH3+])C1 666964011 487351344 /nfs/dbraw/zinc/35/13/44/487351344.db2.gz YSILNBWKUZNEHE-RYUDHWBXSA-N 2 0 198.354 2.140 20 0 AEADRP CCC[C@H](CC)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 666963969 487351349 /nfs/dbraw/zinc/35/13/49/487351349.db2.gz SABYKEHZSNGBST-WOPDTQHZSA-N 2 0 198.354 2.282 20 0 AEADRP CCC(CC)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 666963054 487351385 /nfs/dbraw/zinc/35/13/85/487351385.db2.gz BSMKGFCIUXYPMV-VXGBXAGGSA-N 2 0 198.354 2.140 20 0 AEADRP CCC(CC)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 666963051 487351474 /nfs/dbraw/zinc/35/14/74/487351474.db2.gz BSMKGFCIUXYPMV-NEPJUHHUSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)CC[NH2+][C@@H]1CC[C@H](C[NH3+])C1 666963923 487351510 /nfs/dbraw/zinc/35/15/10/487351510.db2.gz GEMQYNFLMLLAQW-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 666963966 487351516 /nfs/dbraw/zinc/35/15/16/487351516.db2.gz SABYKEHZSNGBST-GRYCIOLGSA-N 2 0 198.354 2.282 20 0 AEADRP CCC(CC)C[NH2+][C@@H]1CC[NH2+]C1(C)C 666966109 487352072 /nfs/dbraw/zinc/35/20/72/487352072.db2.gz QQWMNRWPDPURPK-LLVKDONJSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)(C)CC[NH2+][C@@H]1CC[NH2+]C1(C)C 666966119 487352101 /nfs/dbraw/zinc/35/21/01/487352101.db2.gz UBIKKZPQMPJFIW-SNVBAGLBSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C 666966058 487352222 /nfs/dbraw/zinc/35/22/22/487352222.db2.gz DVBYYUPJGYGVAL-LLVKDONJSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CCC[NH2+][C@H]1CC[NH2+]C1(C)C 666966059 487352455 /nfs/dbraw/zinc/35/24/55/487352455.db2.gz DVBYYUPJGYGVAL-NSHDSACASA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)(C)CC[NH2+][C@H]1CC[NH2+]C1(C)C 666966118 487352671 /nfs/dbraw/zinc/35/26/71/487352671.db2.gz UBIKKZPQMPJFIW-JTQLQIEISA-N 2 0 198.354 2.153 20 0 AEADRP CCC(CC)C[NH2+][C@H]1CC[NH2+]C1(C)C 666966110 487352738 /nfs/dbraw/zinc/35/27/38/487352738.db2.gz QQWMNRWPDPURPK-NSHDSACASA-N 2 0 198.354 2.153 20 0 AEADRP C[C@H](CC1CCCCC1)[NH2+]CCC[NH3+] 667030943 487353600 /nfs/dbraw/zinc/35/36/00/487353600.db2.gz MRZODDYBJAUYOO-LLVKDONJSA-N 2 0 198.354 2.284 20 0 AEADRP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CCC[NH3+] 667050177 487354199 /nfs/dbraw/zinc/35/41/99/487354199.db2.gz NAXKQPMPMFNDMM-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CCC[NH3+] 667050180 487354374 /nfs/dbraw/zinc/35/43/74/487354374.db2.gz NAXKQPMPMFNDMM-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CCC[NH3+] 667050178 487354402 /nfs/dbraw/zinc/35/44/02/487354402.db2.gz NAXKQPMPMFNDMM-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CCC[NH3+] 667050179 487354438 /nfs/dbraw/zinc/35/44/38/487354438.db2.gz NAXKQPMPMFNDMM-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)CC[NH+]1CCC(CC[NH3+])CC1 42427589 582502179 /nfs/dbraw/zinc/50/21/79/582502179.db2.gz BDGBNFPZFXAJMN-UHFFFAOYSA-N 2 0 198.354 2.093 20 0 AEADRP CCCC[N@H+](CC)CC1CC[NH2+]CC1 19518242 582502765 /nfs/dbraw/zinc/50/27/65/582502765.db2.gz YFGZCWLCVFZNFX-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CC(C)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 82474682 582512560 /nfs/dbraw/zinc/51/25/60/582512560.db2.gz SVFMUYPMHUTWBX-LLVKDONJSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@@H](C)C[NH+]1CCC([C@H](C)[NH3+])CC1 82474710 582512780 /nfs/dbraw/zinc/51/27/80/582512780.db2.gz CDBWKRKARFXZPG-MNOVXSKESA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)CC[NH+]1CCC([C@H](C)[NH3+])CC1 82474683 582512800 /nfs/dbraw/zinc/51/28/00/582512800.db2.gz SVFMUYPMHUTWBX-NSHDSACASA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@H](C)C[NH+]1CCC([C@H](C)[NH3+])CC1 82474711 582513052 /nfs/dbraw/zinc/51/30/52/582513052.db2.gz CDBWKRKARFXZPG-QWRGUYRKSA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@@H](C)C[NH+]1CCC([C@@H](C)[NH3+])CC1 82474708 582513059 /nfs/dbraw/zinc/51/30/59/582513059.db2.gz CDBWKRKARFXZPG-GHMZBOCLSA-N 2 0 198.354 2.092 20 0 AEADRP CCCCC[NH+]1CCC([C@@H](C)[NH3+])CC1 82474730 582513065 /nfs/dbraw/zinc/51/30/65/582513065.db2.gz XBBXKSFJTKKXFR-LLVKDONJSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCC[NH+]1CCC([C@H](C)[NH3+])CC1 82474731 582513067 /nfs/dbraw/zinc/51/30/67/582513067.db2.gz XBBXKSFJTKKXFR-NSHDSACASA-N 2 0 198.354 2.236 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)[NH+](C)C 895291754 582525878 /nfs/dbraw/zinc/52/58/78/582525878.db2.gz CLRSRPZSAUHIRQ-TUAOUCFPSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)[NH+](C)C 895291752 582526009 /nfs/dbraw/zinc/52/60/09/582526009.db2.gz CLRSRPZSAUHIRQ-QJPTWQEYSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](C)[NH+](C)C 895291755 582526123 /nfs/dbraw/zinc/52/61/23/582526123.db2.gz CLRSRPZSAUHIRQ-UTUOFQBUSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@@H]1CC[C@H]1[NH2+]CC[C@@H](C)[NH+](C)C 895291750 582526153 /nfs/dbraw/zinc/52/61/53/582526153.db2.gz CLRSRPZSAUHIRQ-IJLUTSLNSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@H]([NH3+])CC[NH2+]C1CCCCCCC1 841035668 582548723 /nfs/dbraw/zinc/54/87/23/582548723.db2.gz LQBMSTNUTJHZJG-NSHDSACASA-N 2 0 198.354 2.426 20 0 AEADRP CCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 902317731 582595041 /nfs/dbraw/zinc/59/50/41/582595041.db2.gz FPAISVDNVPPJSD-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 902317732 582595269 /nfs/dbraw/zinc/59/52/69/582595269.db2.gz FPAISVDNVPPJSD-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)[C@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 902488943 582608971 /nfs/dbraw/zinc/60/89/71/582608971.db2.gz OTMGIMQIZVNAPS-NWDGAFQWSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@@H]([NH2+]CC1([NH3+])CC1)C1CCC1 902406012 582599190 /nfs/dbraw/zinc/59/91/90/582599190.db2.gz JZMHIIJPVSOGTK-LLVKDONJSA-N 2 0 196.338 2.036 20 0 AEADRP CCC[C@H]([NH2+]CC1([NH3+])CC1)C1CCC1 902406014 582599438 /nfs/dbraw/zinc/59/94/38/582599438.db2.gz JZMHIIJPVSOGTK-NSHDSACASA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CC1 902414091 582605056 /nfs/dbraw/zinc/60/50/56/582605056.db2.gz SECIFQVWISHSEU-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@@H]([NH2+]CC1([NH3+])CC1)C1CCCC1 902407611 582600044 /nfs/dbraw/zinc/60/00/44/582600044.db2.gz RTCXNRILIJIVDE-LLVKDONJSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]([NH2+]CC1([NH3+])CC1)C1CCCC1 902407612 582600526 /nfs/dbraw/zinc/60/05/26/582600526.db2.gz RTCXNRILIJIVDE-NSHDSACASA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC2)C1 902416849 582603227 /nfs/dbraw/zinc/60/32/27/582603227.db2.gz OQCBHHIYHKHXJN-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP [NH3+]C1(C[NH2+]C2CCCCCCC2)CC1 902415273 582603271 /nfs/dbraw/zinc/60/32/71/582603271.db2.gz MWRBKLKPZCLGIK-UHFFFAOYSA-N 2 0 196.338 2.180 20 0 AEADRP CC[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CC2)C1 902416856 582603388 /nfs/dbraw/zinc/60/33/88/582603388.db2.gz OQCBHHIYHKHXJN-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC2)C1 902416858 582603771 /nfs/dbraw/zinc/60/37/71/582603771.db2.gz OQCBHHIYHKHXJN-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CC2)C1 902416853 582603819 /nfs/dbraw/zinc/60/38/19/582603819.db2.gz OQCBHHIYHKHXJN-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP CCCC(CCC)[NH2+]CC1([NH3+])CC1 902415777 582603881 /nfs/dbraw/zinc/60/38/81/582603881.db2.gz QTQFGZIJPJETSI-UHFFFAOYSA-N 2 0 184.327 2.036 20 0 AEADRP C[C@@H]([NH2+]CC1([NH3+])CC1)C1CCCCC1 902416084 582603997 /nfs/dbraw/zinc/60/39/97/582603997.db2.gz RGGRDJJJEOGFHE-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]([NH2+]CC1([NH3+])CC1)C1CCCCC1 902416083 582604059 /nfs/dbraw/zinc/60/40/59/582604059.db2.gz RGGRDJJJEOGFHE-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CC1(C)CCCC[C@H]1[NH2+]CC1([NH3+])CC1 902413979 582604986 /nfs/dbraw/zinc/60/49/86/582604986.db2.gz QLLSXEVYORNXKI-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CC1 902414094 582605168 /nfs/dbraw/zinc/60/51/68/582605168.db2.gz SECIFQVWISHSEU-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CC1 902414093 582605225 /nfs/dbraw/zinc/60/52/25/582605225.db2.gz SECIFQVWISHSEU-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H](C)C[C@@H](CC)[NH2+]CC1([NH3+])CC1 902415019 582605370 /nfs/dbraw/zinc/60/53/70/582605370.db2.gz JNDHJOQRAJRHTA-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC1(C)CCC[C@@H]([NH2+]CC2([NH3+])CC2)C1 902413104 582605376 /nfs/dbraw/zinc/60/53/76/582605376.db2.gz ILGVTEJJPFNTLO-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@@H](C[C@H](C)CC)[NH2+]CC1([NH3+])CC1 902415017 582605455 /nfs/dbraw/zinc/60/54/55/582605455.db2.gz JNDHJOQRAJRHTA-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC1(C)CCCC[C@@H]1[NH2+]CC1([NH3+])CC1 902413978 582605596 /nfs/dbraw/zinc/60/55/96/582605596.db2.gz QLLSXEVYORNXKI-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CC1(C)CCC[C@H]([NH2+]CC2([NH3+])CC2)C1 902413103 582605611 /nfs/dbraw/zinc/60/56/11/582605611.db2.gz ILGVTEJJPFNTLO-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CC1 902414092 582605698 /nfs/dbraw/zinc/60/56/98/582605698.db2.gz SECIFQVWISHSEU-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CC1([NH3+])CC1 902415016 582605718 /nfs/dbraw/zinc/60/57/18/582605718.db2.gz JNDHJOQRAJRHTA-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H](C)C[C@H](CC)[NH2+]CC1([NH3+])CC1 902415018 582605769 /nfs/dbraw/zinc/60/57/69/582605769.db2.gz JNDHJOQRAJRHTA-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 902481337 582608173 /nfs/dbraw/zinc/60/81/73/582608173.db2.gz BWDRNMDLODYTOK-RYUDHWBXSA-N 2 0 198.354 2.297 20 0 AEADRP CCC[C@@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 902481335 582608202 /nfs/dbraw/zinc/60/82/02/582608202.db2.gz BWDRNMDLODYTOK-NEPJUHHUSA-N 2 0 198.354 2.297 20 0 AEADRP CCC[C@@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 902481338 582608210 /nfs/dbraw/zinc/60/82/10/582608210.db2.gz BWDRNMDLODYTOK-VXGBXAGGSA-N 2 0 198.354 2.297 20 0 AEADRP CCC[C@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 902481336 582608663 /nfs/dbraw/zinc/60/86/63/582608663.db2.gz BWDRNMDLODYTOK-NWDGAFQWSA-N 2 0 198.354 2.297 20 0 AEADRP CC(C)[C@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 902488944 582608807 /nfs/dbraw/zinc/60/88/07/582608807.db2.gz OTMGIMQIZVNAPS-RYUDHWBXSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)[C@@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 902488945 582609461 /nfs/dbraw/zinc/60/94/61/582609461.db2.gz OTMGIMQIZVNAPS-VXGBXAGGSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+]C1CC(C[NH3+])C1 904368366 582635830 /nfs/dbraw/zinc/63/58/30/582635830.db2.gz JBUFAILUKZJFDA-KPPDAEKUSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H](CC(C)(C)C)[NH2+]C1CC(C[NH3+])C1 904368367 582636087 /nfs/dbraw/zinc/63/60/87/582636087.db2.gz JBUFAILUKZJFDA-WHXUTIOJSA-N 2 0 198.354 2.138 20 0 AEADRP [NH3+]C1(C[NH2+]CC2CCCCCC2)CC1 904451655 582639186 /nfs/dbraw/zinc/63/91/86/582639186.db2.gz YRDIJCOQLBAXCQ-UHFFFAOYSA-N 2 0 196.338 2.038 20 0 AEADRP [NH3+]CCC[NH2+]C1(C2CCCCC2)CC1 904472060 582639204 /nfs/dbraw/zinc/63/92/04/582639204.db2.gz GBJNMWMTXKNWBG-UHFFFAOYSA-N 2 0 196.338 2.038 20 0 AEADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1)C1CCCCC1 906519338 582655774 /nfs/dbraw/zinc/65/57/74/582655774.db2.gz YVMKVTXMSLDZIB-DLOVCJGASA-N 2 0 196.338 2.035 20 0 AEADRP CCC(CC)(CC)C[NH2+][C@H]1C[C@H]([NH3+])C1 906516266 582655869 /nfs/dbraw/zinc/65/58/69/582655869.db2.gz AHCIRBXOCCDYMW-XYPYZODXSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[NH2+]C[C@H]1CCC[N@H+](CC)C1 906527741 582656001 /nfs/dbraw/zinc/65/60/01/582656001.db2.gz RQDDCVOJLFOORZ-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C1)C1CCCCC1 906519339 582656022 /nfs/dbraw/zinc/65/60/22/582656022.db2.gz YVMKVTXMSLDZIB-YUSALJHKSA-N 2 0 196.338 2.035 20 0 AEADRP [NH3+][C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 906518485 582656033 /nfs/dbraw/zinc/65/60/33/582656033.db2.gz PNXNSIGOTWHPAO-HAQNSBGRSA-N 2 0 196.338 2.036 20 0 AEADRP CCCC[NH2+]C[C@@H]1CCC[N@H+](CC)C1 906527743 582656195 /nfs/dbraw/zinc/65/61/95/582656195.db2.gz RQDDCVOJLFOORZ-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CCCC[NH2+]CC[C@@H]1CCC[N@H+](C)C1 906531731 582656536 /nfs/dbraw/zinc/65/65/36/582656536.db2.gz STXRGSQDTQNCLD-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CCCC[NH2+]CCCC[N@H+](C)C1CC1 906532000 582656755 /nfs/dbraw/zinc/65/67/55/582656755.db2.gz VBPJJMQQSSWVGH-UHFFFAOYSA-N 2 0 198.354 2.251 20 0 AEADRP CCCC[NH2+]CC[C@H]1CCC[N@H+](C)C1 906531730 582657030 /nfs/dbraw/zinc/65/70/30/582657030.db2.gz STXRGSQDTQNCLD-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP CC1(C)CC([NH2+]CCN)CC(C)(C)C1 158841026 582664240 /nfs/dbraw/zinc/66/42/40/582664240.db2.gz SKKOAZXBBRFHAN-UHFFFAOYSA-N 2 0 198.354 2.140 20 0 AEADRP CCCC[N@H+](CC)CCC[NH+](C)C 734843925 582682390 /nfs/dbraw/zinc/68/23/90/582682390.db2.gz DQVLLUBOONPKNG-UHFFFAOYSA-N 2 0 186.343 2.060 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CC(C)(C)C 817978609 582686840 /nfs/dbraw/zinc/68/68/40/582686840.db2.gz CKCIMYPZISRNSW-ZJUUUORDSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(C)(C)C 817978608 582687091 /nfs/dbraw/zinc/68/70/91/582687091.db2.gz CKCIMYPZISRNSW-VHSXEESVSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CC(C)(C)C 817978607 582687218 /nfs/dbraw/zinc/68/72/18/582687218.db2.gz CKCIMYPZISRNSW-UWVGGRQHSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC(C)(C)C 817978606 582687466 /nfs/dbraw/zinc/68/74/66/582687466.db2.gz CKCIMYPZISRNSW-NXEZZACHSA-N 2 0 186.343 2.138 20 0 AEADRP C[C@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 229540195 582705510 /nfs/dbraw/zinc/70/55/10/582705510.db2.gz KXKGWSMELKYDEY-GRYCIOLGSA-N 2 0 196.338 2.001 20 0 AEADRP C[C@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 229540212 582706417 /nfs/dbraw/zinc/70/64/17/582706417.db2.gz KXKGWSMELKYDEY-WOPDTQHZSA-N 2 0 196.338 2.001 20 0 AEADRP C[C@H]1C[C@H]([NH+]2CCCCCC2)CC[NH2+]1 229540378 582706653 /nfs/dbraw/zinc/70/66/53/582706653.db2.gz SSYZZEGNZVAICJ-NWDGAFQWSA-N 2 0 196.338 2.003 20 0 AEADRP C[C@@H]1C[C@H]([NH+]2CCCCCC2)CC[NH2+]1 229540371 582706766 /nfs/dbraw/zinc/70/67/66/582706766.db2.gz SSYZZEGNZVAICJ-VXGBXAGGSA-N 2 0 196.338 2.003 20 0 AEADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)C(C)C 759845601 582804676 /nfs/dbraw/zinc/80/46/76/582804676.db2.gz PBXXBYSQFZRKAC-GFCCVEGCSA-N 2 0 198.354 2.201 20 0 AEADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C(C)C 759845606 582804836 /nfs/dbraw/zinc/80/48/36/582804836.db2.gz PBXXBYSQFZRKAC-LBPRGKRZSA-N 2 0 198.354 2.201 20 0 AEADRP CCCCCC[NH2+][C@H](C)C[C@H](C)[NH3+] 817895565 582998683 /nfs/dbraw/zinc/99/86/83/582998683.db2.gz ZHRLDCXBYGDRBI-WDEREUQCSA-N 2 0 186.343 2.282 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+]CC1([NH3+])CCC1 817965358 582998709 /nfs/dbraw/zinc/99/87/09/582998709.db2.gz SSZUZSSXBRVUFA-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP C[NH2+]CCC[NH2+][C@H](C)CC(C)(C)C 817944212 582998957 /nfs/dbraw/zinc/99/89/57/582998957.db2.gz ZSUNZUPRHVNTHB-SNVBAGLBSA-N 2 0 186.343 2.010 20 0 AEADRP C[C@@H](CC(C)(C)C)[NH2+]CC1([NH3+])CCC1 817965356 583000157 /nfs/dbraw/zinc/00/01/57/583000157.db2.gz SSZUZSSXBRVUFA-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP CCCCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] 817895551 582999214 /nfs/dbraw/zinc/99/92/14/582999214.db2.gz ZHRLDCXBYGDRBI-GHMZBOCLSA-N 2 0 186.343 2.282 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H](C)CC(C)(C)C 817944211 582999223 /nfs/dbraw/zinc/99/92/23/582999223.db2.gz ZSUNZUPRHVNTHB-JTQLQIEISA-N 2 0 186.343 2.010 20 0 AEADRP CCCCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] 817895561 582999327 /nfs/dbraw/zinc/99/93/27/582999327.db2.gz ZHRLDCXBYGDRBI-MNOVXSKESA-N 2 0 186.343 2.282 20 0 AEADRP CCCCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] 817895563 582999339 /nfs/dbraw/zinc/99/93/39/582999339.db2.gz ZHRLDCXBYGDRBI-QWRGUYRKSA-N 2 0 186.343 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CC(C)(C)C 817951286 582999808 /nfs/dbraw/zinc/99/98/08/582999808.db2.gz 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CCCCCC[C@@H](C)[NH2+]C[C@@H](C)[NH3+] 817971941 583001802 /nfs/dbraw/zinc/00/18/02/583001802.db2.gz RVVSZLNCVZZXJS-GHMZBOCLSA-N 2 0 186.343 2.282 20 0 AEADRP C[NH2+]CCC[NH2+]C1CCCCCCC1 841041017 583112059 /nfs/dbraw/zinc/11/20/59/583112059.db2.gz AEPBBJRAXJLOEU-UHFFFAOYSA-N 2 0 198.354 2.298 20 0 AEADRP CC(C)CC1CC[NH+](CCC[NH3+])CC1 841011004 583112739 /nfs/dbraw/zinc/11/27/39/583112739.db2.gz ZMSWVGSMGGQIDI-UHFFFAOYSA-N 2 0 198.354 2.093 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+]CCCCCC[NH3+] 843342832 583131951 /nfs/dbraw/zinc/13/19/51/583131951.db2.gz UYPHDSUCHWXQSG-NEPJUHHUSA-N 2 0 198.354 2.284 20 0 AEADRP CC[C@H]([NH2+]CCCCCC[NH3+])C1CC1 843340862 583131983 /nfs/dbraw/zinc/13/19/83/583131983.db2.gz GCTDVFLDDCVVPE-LBPRGKRZSA-N 2 0 198.354 2.284 20 0 AEADRP CC[C@H]1CC[C@@H]1[NH2+]CCCCCC[NH3+] 843342900 583131986 /nfs/dbraw/zinc/13/19/86/583131986.db2.gz UYPHDSUCHWXQSG-RYUDHWBXSA-N 2 0 198.354 2.284 20 0 AEADRP CC[C@@H]1CC[C@H]1[NH2+]CCCCCC[NH3+] 843342901 583132220 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GCTDVFLDDCVVPE-GFCCVEGCSA-N 2 0 198.354 2.284 20 0 AEADRP CC[C@H]1CC[C@H]1[NH2+]CCCCCC[NH3+] 843342834 583132452 /nfs/dbraw/zinc/13/24/52/583132452.db2.gz UYPHDSUCHWXQSG-NWDGAFQWSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@@H](CC1CC1)[NH2+]CCCCCC[NH3+] 843129996 583132455 /nfs/dbraw/zinc/13/24/55/583132455.db2.gz WJYNFBHOLHOSBQ-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP C[C@H]([NH2+]CCCCCC[NH3+])C1CCC1 843130167 583132490 /nfs/dbraw/zinc/13/24/90/583132490.db2.gz ZDAZCZOBMLJDKA-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP C[C@H](CC1CC1)[NH2+]CCCCCC[NH3+] 843129995 583132519 /nfs/dbraw/zinc/13/25/19/583132519.db2.gz WJYNFBHOLHOSBQ-LLVKDONJSA-N 2 0 198.354 2.284 20 0 AEADRP CC(C)[N@H+](CCCCCC[NH3+])C1CC1 846218744 583153726 /nfs/dbraw/zinc/15/37/26/583153726.db2.gz SSKOGLHTIZEAFM-UHFFFAOYSA-N 2 0 198.354 2.378 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C1CCCCCCC1 107792369 583170216 /nfs/dbraw/zinc/17/02/16/583170216.db2.gz YWJAWHDHWBDRFO-NSHDSACASA-N 2 0 198.354 2.426 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+]C1CCCCCCC1 107792371 583170348 /nfs/dbraw/zinc/17/03/48/583170348.db2.gz YWJAWHDHWBDRFO-LLVKDONJSA-N 2 0 198.354 2.426 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C1CCCCCCC1 853249358 583217691 /nfs/dbraw/zinc/21/76/91/583217691.db2.gz QBHDVZWGJLRMOR-NSHDSACASA-N 2 0 198.354 2.297 20 0 AEADRP C[NH2+]C[C@@H](C)[NH2+]C1CCCCCCC1 853249357 583217736 /nfs/dbraw/zinc/21/77/36/583217736.db2.gz QBHDVZWGJLRMOR-LLVKDONJSA-N 2 0 198.354 2.297 20 0 AEADRP [NH3+]CCCCCC[NH+](C1CC1)C1CC1 863550715 583311143 /nfs/dbraw/zinc/31/11/43/583311143.db2.gz DOIWAPORLORBDK-UHFFFAOYSA-N 2 0 196.338 2.132 20 0 AEADRP C[C@H]([NH3+])C[N@H+](C)CCCC1CCCC1 863568368 583311372 /nfs/dbraw/zinc/31/13/72/583311372.db2.gz KXPQLMBXGXUUDV-NSHDSACASA-N 2 0 198.354 2.236 20 0 AEADRP C[C@@H]([NH3+])C[N@H+](C)CCCC1CCCC1 863568367 583311396 /nfs/dbraw/zinc/31/13/96/583311396.db2.gz KXPQLMBXGXUUDV-LLVKDONJSA-N 2 0 198.354 2.236 20 0 AEADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCC1CC1 866667229 583332311 /nfs/dbraw/zinc/33/23/11/583332311.db2.gz FXBNJBUWJWPBKK-VXGBXAGGSA-N 2 0 196.338 2.036 20 0 AEADRP CCCCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 122335171 583339621 /nfs/dbraw/zinc/33/96/21/583339621.db2.gz MCORAVKLLXOEIN-NWDGAFQWSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 122334935 583340179 /nfs/dbraw/zinc/34/01/79/583340179.db2.gz MCORAVKLLXOEIN-RYUDHWBXSA-N 2 0 198.354 2.236 20 0 AEADRP CCCC[C@@H](CC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873254478 583371833 /nfs/dbraw/zinc/37/18/33/583371833.db2.gz UPODKANMLXIAHH-GRYCIOLGSA-N 2 0 198.354 2.282 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 873256487 583371914 /nfs/dbraw/zinc/37/19/14/583371914.db2.gz OIBJOLOTMWSIIS-DCAQKATOSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC[C@H](CC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873254479 583371973 /nfs/dbraw/zinc/37/19/73/583371973.db2.gz UPODKANMLXIAHH-TUAOUCFPSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC(CCC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873256549 583372073 /nfs/dbraw/zinc/37/20/73/583372073.db2.gz PGQJDQOXLPTMRP-PHIMTYICSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873257334 583372117 /nfs/dbraw/zinc/37/21/17/583372117.db2.gz SYCMNLAIUAMULN-SDDRHHMPSA-N 2 0 198.354 2.138 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873249976 583372129 /nfs/dbraw/zinc/37/21/29/583372129.db2.gz OIBJOLOTMWSIIS-MXWKQRLJSA-N 2 0 198.354 2.138 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873249974 583372142 /nfs/dbraw/zinc/37/21/42/583372142.db2.gz OIBJOLOTMWSIIS-GARJFASQSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 873256462 583372146 /nfs/dbraw/zinc/37/21/46/583372146.db2.gz OCKZYBLIATUIDF-DCAQKATOSA-N 2 0 198.354 2.138 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 873256489 583372204 /nfs/dbraw/zinc/37/22/04/583372204.db2.gz OIBJOLOTMWSIIS-GMTAPVOTSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873257336 583372276 /nfs/dbraw/zinc/37/22/76/583372276.db2.gz SYCMNLAIUAMULN-UTUOFQBUSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC(CCC)[NH2+]C[C@H]1C[C@H]([NH3+])C1 873258382 583372746 /nfs/dbraw/zinc/37/27/46/583372746.db2.gz PGQJDQOXLPTMRP-XYPYZODXSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@H](CC)[NH2+]C[C@H]1C[C@H]([NH3+])C1 873258780 583372798 /nfs/dbraw/zinc/37/27/98/583372798.db2.gz UPODKANMLXIAHH-SRVKXCTJSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 873258724 583372862 /nfs/dbraw/zinc/37/28/62/583372862.db2.gz SYCMNLAIUAMULN-IJLUTSLNSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC[C@@H](CC)[NH2+]C[C@H]1C[C@H]([NH3+])C1 873258779 583373157 /nfs/dbraw/zinc/37/31/57/583373157.db2.gz UPODKANMLXIAHH-IJLUTSLNSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[NH2+]CCC[NH+](CC)CC 19943268 583375360 /nfs/dbraw/zinc/37/53/60/583375360.db2.gz UDJICCVVJQZBQW-UHFFFAOYSA-N 2 0 186.343 2.108 20 0 AEADRP CCCC[NH2+]CCC[NH+]1CCCCC1 20128839 583377559 /nfs/dbraw/zinc/37/75/59/583377559.db2.gz JEVOYEBCKZSCDB-UHFFFAOYSA-N 2 0 198.354 2.252 20 0 AEADRP CCC(CC)[N@@H+]1CCC[C@]12CC[NH2+]C2 211356995 583440428 /nfs/dbraw/zinc/44/04/28/583440428.db2.gz LWYRLPCNYOFXBR-GFCCVEGCSA-N 2 0 196.338 2.003 20 0 AEADRP CCC(CC)[N@@H+]1CCC[C@@]12CC[NH2+]C2 211356924 583440639 /nfs/dbraw/zinc/44/06/39/583440639.db2.gz LWYRLPCNYOFXBR-LBPRGKRZSA-N 2 0 196.338 2.003 20 0 AEADRP C[C@@H]1CC[C@@H]([NH2+]CCCCCC[NH3+])C1 129380726 583448548 /nfs/dbraw/zinc/44/85/48/583448548.db2.gz JOQVABUYQXFPHY-VXGBXAGGSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@@H]1CC[C@H]([NH2+]CCCCCC[NH3+])C1 129380342 583448646 /nfs/dbraw/zinc/44/86/46/583448646.db2.gz JOQVABUYQXFPHY-NEPJUHHUSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@H]1CC[C@H]([NH2+]CCCCCC[NH3+])C1 129380520 583448678 /nfs/dbraw/zinc/44/86/78/583448678.db2.gz JOQVABUYQXFPHY-RYUDHWBXSA-N 2 0 198.354 2.284 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+]C1CC[NH2+]CC1 38040645 490013779 /nfs/dbraw/zinc/01/37/79/490013779.db2.gz RFDIDQDJDVLSBG-LLVKDONJSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CC[C@H](C)[NH2+]C1CC[NH2+]CC1 38040646 490013804 /nfs/dbraw/zinc/01/38/04/490013804.db2.gz RFDIDQDJDVLSBG-NSHDSACASA-N 2 0 198.354 2.153 20 0 AEADRP C1CCC([NH2+]CCC[NH2+]C2CC2)CC1 40397783 490014215 /nfs/dbraw/zinc/01/42/15/490014215.db2.gz BVZCEAFRAINLMJ-UHFFFAOYSA-N 2 0 196.338 2.051 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C1CCCCCC1 40397488 490014211 /nfs/dbraw/zinc/01/42/11/490014211.db2.gz ZQJNOSVYZUHTFW-JTQLQIEISA-N 2 0 184.327 2.036 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+]C1CCCCCC1 40397490 490014265 /nfs/dbraw/zinc/01/42/65/490014265.db2.gz ZQJNOSVYZUHTFW-SNVBAGLBSA-N 2 0 184.327 2.036 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCCCCC1 40397432 490014334 /nfs/dbraw/zinc/01/43/34/490014334.db2.gz QHRMSUGCODRKGD-LBPRGKRZSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+]C1CCCCCC1 40397430 490014339 /nfs/dbraw/zinc/01/43/39/490014339.db2.gz QHRMSUGCODRKGD-GFCCVEGCSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[NH2+]CC[NH2+]C1CCCCCC1 40397502 490014349 /nfs/dbraw/zinc/01/43/49/490014349.db2.gz QFHXSRJTQNLGSD-UHFFFAOYSA-N 2 0 198.354 2.297 20 0 AEADRP C[NH2+]CCC[N@H+](C)C1CCC(C)CC1 42488128 490015229 /nfs/dbraw/zinc/01/52/29/490015229.db2.gz CAWRZMHHBOJRCV-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 51694203 490015798 /nfs/dbraw/zinc/01/57/98/490015798.db2.gz NGLJZJGYTDKRGH-VOMCLLRMSA-N 2 0 198.354 2.425 20 0 AEADRP CC[C@@H](C)[C@@H](C)[NH2+]C1CCC([NH3+])CC1 51693088 490015873 /nfs/dbraw/zinc/01/58/73/490015873.db2.gz AUDSHMYKNYIUKQ-QYNFOATHSA-N 2 0 198.354 2.281 20 0 AEADRP CCCCC[NH+]1CCC(C[NH2+]C)CC1 51756168 490015973 /nfs/dbraw/zinc/01/59/73/490015973.db2.gz BEFIIBWFOTXBQD-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CC[C@@H](C)[C@H](C)[NH2+]C1CCC([NH3+])CC1 51693091 490015987 /nfs/dbraw/zinc/01/59/87/490015987.db2.gz AUDSHMYKNYIUKQ-QKEWWQLBSA-N 2 0 198.354 2.281 20 0 AEADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)C(C)C 51694209 490016005 /nfs/dbraw/zinc/01/60/05/490016005.db2.gz HUFPBDKOVRPCQL-HTAVTVPLSA-N 2 0 198.354 2.281 20 0 AEADRP CCCC[C@H](C)[NH2+]C1CCC([NH3+])CC1 51694205 490016034 /nfs/dbraw/zinc/01/60/34/490016034.db2.gz NGLJZJGYTDKRGH-UNXYVOJBSA-N 2 0 198.354 2.425 20 0 AEADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CCC1 123941870 490029215 /nfs/dbraw/zinc/02/92/15/490029215.db2.gz PKPUBFYKDHWSKY-DLOVCJGASA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)C1CCC1 124004197 490029302 /nfs/dbraw/zinc/02/93/02/490029302.db2.gz QJQOJTILZDZOBT-OIKLOGQESA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)C1CCC1 124003972 490029528 /nfs/dbraw/zinc/02/95/28/490029528.db2.gz QJQOJTILZDZOBT-GCVQQVDUSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CCC1 123941381 490029675 /nfs/dbraw/zinc/02/96/75/490029675.db2.gz PKPUBFYKDHWSKY-ZMLRMANQSA-N 2 0 196.338 2.035 20 0 AEADRP CCCC(C)(C)[NH2+]CC1CC[NH2+]CC1 126060001 490036426 /nfs/dbraw/zinc/03/64/26/490036426.db2.gz HMMOFMOWZVFTRT-UHFFFAOYSA-N 2 0 198.354 2.154 20 0 AEADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 128434042 490044856 /nfs/dbraw/zinc/04/48/56/490044856.db2.gz IQYRUIOWGBAMLQ-KXNHARMFSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 129434291 490050791 /nfs/dbraw/zinc/05/07/91/490050791.db2.gz ZSGTWYQEWULHNE-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@H]1CC[C@H](C)C1 129425173 490050932 /nfs/dbraw/zinc/05/09/32/490050932.db2.gz BRJUBCQMUDLCAN-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 129434089 490050954 /nfs/dbraw/zinc/05/09/54/490050954.db2.gz ZSGTWYQEWULHNE-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@@H](C)C1 129425426 490051186 /nfs/dbraw/zinc/05/11/86/490051186.db2.gz BRJUBCQMUDLCAN-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@H]1CC[C@@H](C)C1 129425632 490051248 /nfs/dbraw/zinc/05/12/48/490051248.db2.gz BRJUBCQMUDLCAN-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@H](C)C1 129424937 490051395 /nfs/dbraw/zinc/05/13/95/490051395.db2.gz BRJUBCQMUDLCAN-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 129434518 490051417 /nfs/dbraw/zinc/05/14/17/490051417.db2.gz ZSGTWYQEWULHNE-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 129433853 490051439 /nfs/dbraw/zinc/05/14/39/490051439.db2.gz ZSGTWYQEWULHNE-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCC(C)(C)C1 129585054 490051877 /nfs/dbraw/zinc/05/18/77/490051877.db2.gz IRSIHBZMKNQAEJ-MNOVXSKESA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 129541845 490051887 /nfs/dbraw/zinc/05/18/87/490051887.db2.gz OPBJIQZUQHNKLY-VXGBXAGGSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC(C)(C)C1 129585253 490051935 /nfs/dbraw/zinc/05/19/35/490051935.db2.gz IRSIHBZMKNQAEJ-WDEREUQCSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 129542298 490052042 /nfs/dbraw/zinc/05/20/42/490052042.db2.gz OPBJIQZUQHNKLY-NEPJUHHUSA-N 2 0 198.354 2.105 20 0 AEADRP CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 129571109 490052075 /nfs/dbraw/zinc/05/20/75/490052075.db2.gz WKALEUGEFWFLLA-VXGBXAGGSA-N 2 0 198.354 2.249 20 0 AEADRP CC(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 129542051 490052171 /nfs/dbraw/zinc/05/21/71/490052171.db2.gz OPBJIQZUQHNKLY-NWDGAFQWSA-N 2 0 198.354 2.105 20 0 AEADRP CCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 129571316 490052245 /nfs/dbraw/zinc/05/22/45/490052245.db2.gz WKALEUGEFWFLLA-NEPJUHHUSA-N 2 0 198.354 2.249 20 0 AEADRP CC(C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 129542494 490052318 /nfs/dbraw/zinc/05/23/18/490052318.db2.gz OPBJIQZUQHNKLY-RYUDHWBXSA-N 2 0 198.354 2.105 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H]1CCC(C)(C)C1 129572065 490052362 /nfs/dbraw/zinc/05/23/62/490052362.db2.gz DGERDMLULBQRJK-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCC(C)(C)C1 129585458 490052435 /nfs/dbraw/zinc/05/24/35/490052435.db2.gz IRSIHBZMKNQAEJ-QWRGUYRKSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC(C)(C)C1 129584827 490052480 /nfs/dbraw/zinc/05/24/80/490052480.db2.gz IRSIHBZMKNQAEJ-GHMZBOCLSA-N 2 0 198.354 2.138 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H]1CCC(C)(C)C1 129571849 490052552 /nfs/dbraw/zinc/05/25/52/490052552.db2.gz DGERDMLULBQRJK-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)(C)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 129953179 490053814 /nfs/dbraw/zinc/05/38/14/490053814.db2.gz KWSMHAMUWQWCHT-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 129952722 490053826 /nfs/dbraw/zinc/05/38/26/490053826.db2.gz KWSMHAMUWQWCHT-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] 129980702 490053860 /nfs/dbraw/zinc/05/38/60/490053860.db2.gz BFJVVRVFRNDWCN-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP [NH3+][C@@H](C[NH2+]C1CCCCCC1)C1CC1 129821859 490053885 /nfs/dbraw/zinc/05/38/85/490053885.db2.gz XIMFGWIAIICTEH-LBPRGKRZSA-N 2 0 196.338 2.036 20 0 AEADRP [NH3+][C@H](C[NH2+]C1CCCCCC1)C1CC1 129822062 490053940 /nfs/dbraw/zinc/05/39/40/490053940.db2.gz XIMFGWIAIICTEH-GFCCVEGCSA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)(C)CC[NH2+]C[C@H]1CCC[NH2+]C1 129986693 490053951 /nfs/dbraw/zinc/05/39/51/490053951.db2.gz OIUJHFSOAXLETF-NSHDSACASA-N 2 0 198.354 2.012 20 0 AEADRP CC(C)(C)CC[NH2+]C[C@@H]1CCC[NH2+]C1 129986487 490053969 /nfs/dbraw/zinc/05/39/69/490053969.db2.gz OIUJHFSOAXLETF-LLVKDONJSA-N 2 0 198.354 2.012 20 0 AEADRP CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 129980042 490053979 /nfs/dbraw/zinc/05/39/79/490053979.db2.gz BFJVVRVFRNDWCN-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)CC[NH2+][C@H]1CCC[NH2+]CC1 129968492 490054077 /nfs/dbraw/zinc/05/40/77/490054077.db2.gz NIIYSUIRDVTJIG-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 129952957 490054157 /nfs/dbraw/zinc/05/41/57/490054157.db2.gz KWSMHAMUWQWCHT-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 129980485 490054314 /nfs/dbraw/zinc/05/43/14/490054314.db2.gz BFJVVRVFRNDWCN-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 129952531 490054357 /nfs/dbraw/zinc/05/43/57/490054357.db2.gz KWSMHAMUWQWCHT-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 129980290 490054364 /nfs/dbraw/zinc/05/43/64/490054364.db2.gz BFJVVRVFRNDWCN-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)CC[NH2+][C@@H]1CCC[NH2+]CC1 129968276 490054444 /nfs/dbraw/zinc/05/44/44/490054444.db2.gz NIIYSUIRDVTJIG-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP C[C@@H](CN(C)C)[NH2+][C@H]1CCCC[C@H]1C 130160787 490054956 /nfs/dbraw/zinc/05/49/56/490054956.db2.gz NGWJNLJYZGYCGU-WOPDTQHZSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](CN(C)C)[NH2+][C@H]1CCCC[C@@H]1C 130161014 490055085 /nfs/dbraw/zinc/05/50/85/490055085.db2.gz NGWJNLJYZGYCGU-SRVKXCTJSA-N 2 0 198.354 2.105 20 0 AEADRP CCCC[C@@H](C)[NH2+][C@@H](C)CN(C)C 130106129 490055150 /nfs/dbraw/zinc/05/51/50/490055150.db2.gz DIUXIYKQVHFHCD-MNOVXSKESA-N 2 0 186.343 2.105 20 0 AEADRP C[C@@H](CN(C)C)[NH2+][C@@H]1CCCC[C@H]1C 130161236 490055278 /nfs/dbraw/zinc/05/52/78/490055278.db2.gz NGWJNLJYZGYCGU-GRYCIOLGSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](CN(C)C)[NH2+][C@@H]1CCCC[C@@H]1C 130161466 490055370 /nfs/dbraw/zinc/05/53/70/490055370.db2.gz NGWJNLJYZGYCGU-SDDRHHMPSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H](CN(C)C)[NH2+][C@H](C)C1CCCC1 130073964 490055414 /nfs/dbraw/zinc/05/54/14/490055414.db2.gz KJWZYQCUUOLWSG-WDEREUQCSA-N 2 0 198.354 2.105 20 0 AEADRP CCCC[C@H](C)[NH2+][C@@H](C)CN(C)C 130106350 490055430 /nfs/dbraw/zinc/05/54/30/490055430.db2.gz DIUXIYKQVHFHCD-QWRGUYRKSA-N 2 0 186.343 2.105 20 0 AEADRP C[C@@H](CN(C)C)[NH2+][C@@H](C)C1CCCC1 130073511 490055497 /nfs/dbraw/zinc/05/54/97/490055497.db2.gz KJWZYQCUUOLWSG-QWRGUYRKSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 130200108 490055863 /nfs/dbraw/zinc/05/58/63/490055863.db2.gz MXXUZOCUTSFMDJ-SDDRHHMPSA-N 2 0 196.338 2.001 20 0 AEADRP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 130199706 490055956 /nfs/dbraw/zinc/05/59/56/490055956.db2.gz MXXUZOCUTSFMDJ-QJPTWQEYSA-N 2 0 196.338 2.001 20 0 AEADRP CCC(CC)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 130222282 490055971 /nfs/dbraw/zinc/05/59/71/490055971.db2.gz UXEIXNOVYUPIHJ-RYUDHWBXSA-N 2 0 198.354 2.282 20 0 AEADRP CCC(CC)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 130222690 490055991 /nfs/dbraw/zinc/05/59/91/490055991.db2.gz UXEIXNOVYUPIHJ-NEPJUHHUSA-N 2 0 198.354 2.282 20 0 AEADRP CCC(CC)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 130222072 490056007 /nfs/dbraw/zinc/05/60/07/490056007.db2.gz UXEIXNOVYUPIHJ-NWDGAFQWSA-N 2 0 198.354 2.282 20 0 AEADRP CCC(CC)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 130222482 490056062 /nfs/dbraw/zinc/05/60/62/490056062.db2.gz UXEIXNOVYUPIHJ-VXGBXAGGSA-N 2 0 198.354 2.282 20 0 AEADRP CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 306249892 490118070 /nfs/dbraw/zinc/11/80/70/490118070.db2.gz WTFXQZJJRZMDPX-VWYCJHECSA-N 2 0 196.338 2.035 20 0 AEADRP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 306249890 490118188 /nfs/dbraw/zinc/11/81/88/490118188.db2.gz WTFXQZJJRZMDPX-MXWKQRLJSA-N 2 0 196.338 2.035 20 0 AEADRP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 306249887 490118209 /nfs/dbraw/zinc/11/82/09/490118209.db2.gz WTFXQZJJRZMDPX-AXFHLTTASA-N 2 0 196.338 2.035 20 0 AEADRP CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 306249889 490118718 /nfs/dbraw/zinc/11/87/18/490118718.db2.gz WTFXQZJJRZMDPX-DCAQKATOSA-N 2 0 196.338 2.035 20 0 AEADRP CC[NH+](CC)CCC[NH2+][C@H]1CC[C@@H]1C 379573687 697900211 /nfs/dbraw/zinc/90/02/11/697900211.db2.gz IUCQFOIPAPSGHZ-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1CC1 83056003 491023425 /nfs/dbraw/zinc/02/34/25/491023425.db2.gz QNVWGHBNPDQCJQ-JQWIXIFHSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1CC1 83056007 491023490 /nfs/dbraw/zinc/02/34/90/491023490.db2.gz QNVWGHBNPDQCJQ-ZYHUDNBSSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1CC1 83056005 491023467 /nfs/dbraw/zinc/02/34/67/491023467.db2.gz QNVWGHBNPDQCJQ-PWSUYJOCSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1CC1 83056004 491023514 /nfs/dbraw/zinc/02/35/14/491023514.db2.gz QNVWGHBNPDQCJQ-CMPLNLGQSA-N 2 0 198.354 2.105 20 0 AEADRP C[NH+](C)CCC[NH2+][C@H]1CCCC1(C)C 86855763 491029661 /nfs/dbraw/zinc/02/96/61/491029661.db2.gz RLBAXGBDOMILJT-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP C[NH+](C)CCC[NH2+][C@@H]1CCCC1(C)C 86855764 491029664 /nfs/dbraw/zinc/02/96/64/491029664.db2.gz RLBAXGBDOMILJT-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP CCC1(CC)CC[N@H+](CCC[NH2+]C)C1 87252475 491030148 /nfs/dbraw/zinc/03/01/48/491030148.db2.gz VMSUTVIDYWJQSN-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP C[N@H+](CCC[NH3+])C1CCC(C)(C)CC1 87287319 491030300 /nfs/dbraw/zinc/03/03/00/491030300.db2.gz STWOFXZYJCSBLA-UHFFFAOYSA-N 2 0 198.354 2.236 20 0 AEADRP C[NH+](C)CCC[NH2+][C@H]1CCC(C)(C)C1 87769463 491031733 /nfs/dbraw/zinc/03/17/33/491031733.db2.gz IJAYBPBQDJQBIT-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP C[NH+](C)CCC[NH2+][C@@H]1CCC(C)(C)C1 87769465 491031803 /nfs/dbraw/zinc/03/18/03/491031803.db2.gz IJAYBPBQDJQBIT-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP CCC(CC)C[NH2+][C@H]1CCC[C@H]1C[NH3+] 130250149 491033460 /nfs/dbraw/zinc/03/34/60/491033460.db2.gz VYFZBEQGARMKQV-RYUDHWBXSA-N 2 0 198.354 2.140 20 0 AEADRP CCC(CC)C[NH2+]C[C@H]1CCC[NH2+]C1 130257260 491033464 /nfs/dbraw/zinc/03/34/64/491033464.db2.gz HZLCDUULGSGKFW-LBPRGKRZSA-N 2 0 198.354 2.012 20 0 AEADRP CCC(CC)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 130249507 491033467 /nfs/dbraw/zinc/03/34/67/491033467.db2.gz VYFZBEQGARMKQV-VXGBXAGGSA-N 2 0 198.354 2.140 20 0 AEADRP CCC(CC)C[NH2+][C@H]1CCC[NH2+]CC1 130238676 491033469 /nfs/dbraw/zinc/03/34/69/491033469.db2.gz 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186.343 2.141 20 0 AEADRP CC[C@H](C)C[NH2+]CCCCCC[NH3+] 54488715 697622650 /nfs/dbraw/zinc/62/26/50/697622650.db2.gz WTPVRDKXHQEAHX-NSHDSACASA-N 2 0 186.343 2.141 20 0 AEADRP CCCC[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 62861704 697624584 /nfs/dbraw/zinc/62/45/84/697624584.db2.gz YCTQZRXYVNHGLO-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC2CCC2)C1 229077920 697700584 /nfs/dbraw/zinc/70/05/84/697700584.db2.gz NRGLGQOROAWOAU-VXGBXAGGSA-N 2 0 196.338 2.036 20 0 AEADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC2CCC2)C1 229077928 697700590 /nfs/dbraw/zinc/70/05/90/697700590.db2.gz NRGLGQOROAWOAU-NWDGAFQWSA-N 2 0 196.338 2.036 20 0 AEADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC2CCC2)C1 229077904 697700621 /nfs/dbraw/zinc/70/06/21/697700621.db2.gz NRGLGQOROAWOAU-NEPJUHHUSA-N 2 0 196.338 2.036 20 0 AEADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCC2CCC2)C1 229077913 697700836 /nfs/dbraw/zinc/70/08/36/697700836.db2.gz NRGLGQOROAWOAU-RYUDHWBXSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]([NH2+][C@@H](C)CN)C1CCCCC1 234044169 697706080 /nfs/dbraw/zinc/70/60/80/697706080.db2.gz NLCQTCBQZZZYJY-JQWIXIFHSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 250824242 697711471 /nfs/dbraw/zinc/71/14/71/697711471.db2.gz MQXYLSGDJSAOLW-NEPJUHHUSA-N 2 0 198.354 2.378 20 0 AEADRP CCCCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 252698266 697715080 /nfs/dbraw/zinc/71/50/80/697715080.db2.gz MCORAVKLLXOEIN-NEPJUHHUSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252778174 697715690 /nfs/dbraw/zinc/71/56/90/697715690.db2.gz PBWIAPIPJFACJP-NWDGAFQWSA-N 2 0 198.354 2.236 20 0 AEADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])CC[C@H]1C 306322433 697724967 /nfs/dbraw/zinc/72/49/67/697724967.db2.gz JZJYZXUNZATIHZ-VWYCJHECSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])CC[C@H]1C 306322432 697724991 /nfs/dbraw/zinc/72/49/91/697724991.db2.gz JZJYZXUNZATIHZ-OUAUKWLOSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])C(C)C 379341907 697832833 /nfs/dbraw/zinc/83/28/33/697832833.db2.gz APLCCZBCIJZRQZ-JTQLQIEISA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])C(C)C 379341908 697832922 /nfs/dbraw/zinc/83/29/22/697832922.db2.gz APLCCZBCIJZRQZ-SNVBAGLBSA-N 2 0 186.343 2.138 20 0 AEADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@@H]1C 379573680 697900172 /nfs/dbraw/zinc/90/01/72/697900172.db2.gz IUCQFOIPAPSGHZ-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CC[NH+](CC)CCC[NH2+][C@H]1CC[C@H]1C 379573677 697900360 /nfs/dbraw/zinc/90/03/60/697900360.db2.gz IUCQFOIPAPSGHZ-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@H]1C 379573688 697900397 /nfs/dbraw/zinc/90/03/97/697900397.db2.gz IUCQFOIPAPSGHZ-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP CC1(C)CC[C@@H]1[NH2+]CCCCCC[NH3+] 379593877 697903141 /nfs/dbraw/zinc/90/31/41/697903141.db2.gz CAUJHFIDFIUGMQ-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP CC1(C)CC[C@H]1[NH2+]CCCCCC[NH3+] 379593875 697903145 /nfs/dbraw/zinc/90/31/45/697903145.db2.gz CAUJHFIDFIUGMQ-LLVKDONJSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@H]1CC[N@H+](CCCCCC[NH3+])[C@@H]1C 380658005 697912479 /nfs/dbraw/zinc/91/24/79/697912479.db2.gz RHAVECVFXRCZKG-NWDGAFQWSA-N 2 0 198.354 2.236 20 0 AEADRP C[C@@H]1CC[N@H+](CCCCCC[NH3+])[C@@H]1C 380658007 697912213 /nfs/dbraw/zinc/91/22/13/697912213.db2.gz RHAVECVFXRCZKG-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP C[C@H]1CC[N@H+](CCCCCC[NH3+])[C@H]1C 380658006 697912289 /nfs/dbraw/zinc/91/22/89/697912289.db2.gz RHAVECVFXRCZKG-RYUDHWBXSA-N 2 0 198.354 2.236 20 0 AEADRP C[C@H]1[C@H](C)CC[N@@H+]1CCCCCC[NH3+] 380658004 697912340 /nfs/dbraw/zinc/91/23/40/697912340.db2.gz RHAVECVFXRCZKG-NEPJUHHUSA-N 2 0 198.354 2.236 20 0 AEADRP C[N@H+](CCCCCC[NH3+])C(C)(C)C 382124075 697918891 /nfs/dbraw/zinc/91/88/91/697918891.db2.gz NGNBWXYRAGOCBO-UHFFFAOYSA-N 2 0 186.343 2.236 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+]CC(C)(C)[NH3+] 384486595 697929481 /nfs/dbraw/zinc/92/94/81/697929481.db2.gz DBUVJKPLZIULRG-SECBINFHSA-N 2 0 186.343 2.138 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[NH2+]1 384515642 697929594 /nfs/dbraw/zinc/92/95/94/697929594.db2.gz INEBPPXRLAMIDD-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP C[C@@H](CC(C)(C)C)[NH2+]CC(C)(C)[NH3+] 384486596 697929640 /nfs/dbraw/zinc/92/96/40/697929640.db2.gz DBUVJKPLZIULRG-VIFPVBQESA-N 2 0 186.343 2.138 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[NH2+]1 384515641 697929646 /nfs/dbraw/zinc/92/96/46/697929646.db2.gz INEBPPXRLAMIDD-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[NH2+]1 384515643 697929741 /nfs/dbraw/zinc/92/97/41/697929741.db2.gz INEBPPXRLAMIDD-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[NH2+]1 384515644 697929817 /nfs/dbraw/zinc/92/98/17/697929817.db2.gz INEBPPXRLAMIDD-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCC[C@H]1[NH2+]CCC(C)(C)[NH3+] 388621025 697980471 /nfs/dbraw/zinc/98/04/71/697980471.db2.gz HEBRMLLPHQHLAK-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] 388621026 697980519 /nfs/dbraw/zinc/98/05/19/697980519.db2.gz HEBRMLLPHQHLAK-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]1CCC[C@H]1[NH2+]CCC(C)(C)[NH3+] 388621028 697980528 /nfs/dbraw/zinc/98/05/28/697980528.db2.gz HEBRMLLPHQHLAK-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]1CCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] 388621027 697980717 /nfs/dbraw/zinc/98/07/17/697980717.db2.gz HEBRMLLPHQHLAK-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)([NH3+])CC[NH2+][C@H]1CCCC1(C)C 389353129 698009386 /nfs/dbraw/zinc/00/93/86/698009386.db2.gz PDXKWQRKOJETFU-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCCC1(C)C 389353341 698009761 /nfs/dbraw/zinc/00/97/61/698009761.db2.gz PDXKWQRKOJETFU-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP CCC(CC)(CC)C[NH2+]C1CC([NH3+])C1 391106847 698012319 /nfs/dbraw/zinc/01/23/19/698012319.db2.gz AHCIRBXOCCDYMW-UHFFFAOYSA-N 2 0 198.354 2.282 20 0 AEADRP CCC(CC)(CC)C[NH2+]CC1([NH3+])CC1 391315052 698012384 /nfs/dbraw/zinc/01/23/84/698012384.db2.gz BLIGBAUUNWBWDB-UHFFFAOYSA-N 2 0 198.354 2.284 20 0 AEADRP C[N@H+](CCCC1CC1)CC(C)(C)C[NH3+] 394498272 698030576 /nfs/dbraw/zinc/03/05/76/698030576.db2.gz JTFCJZVUBTVLRT-UHFFFAOYSA-N 2 0 198.354 2.093 20 0 AEADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] 396781458 698038138 /nfs/dbraw/zinc/03/81/38/698038138.db2.gz XTLRDRDIYCSYIT-VXGBXAGGSA-N 2 0 198.354 2.426 20 0 AEADRP C[C@@H](CCC1CC1)[NH2+]CCC(C)(C)[NH3+] 398059716 698040624 /nfs/dbraw/zinc/04/06/24/698040624.db2.gz FNWLZZAPZJLKGG-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCC1CC1)[NH2+]CCC(C)(C)[NH3+] 398059718 698041041 /nfs/dbraw/zinc/04/10/41/698041041.db2.gz FNWLZZAPZJLKGG-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 399465606 698043400 /nfs/dbraw/zinc/04/34/00/698043400.db2.gz KWUMRTYBIMTPLZ-PWSUYJOCSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCC[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 399465603 698043526 /nfs/dbraw/zinc/04/35/26/698043526.db2.gz KWUMRTYBIMTPLZ-JQWIXIFHSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 399465599 698043617 /nfs/dbraw/zinc/04/36/17/698043617.db2.gz KWUMRTYBIMTPLZ-CMPLNLGQSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 399465610 698043676 /nfs/dbraw/zinc/04/36/76/698043676.db2.gz KWUMRTYBIMTPLZ-ZYHUDNBSSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)=CCC[N@@H+]1CC[C@H](CC[NH3+])C1 718622559 698066932 /nfs/dbraw/zinc/06/69/32/698066932.db2.gz SRINMRATYBGALH-LBPRGKRZSA-N 2 0 196.338 2.013 20 0 AEADRP CC(C)=CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 718622557 698067023 /nfs/dbraw/zinc/06/70/23/698067023.db2.gz SRINMRATYBGALH-GFCCVEGCSA-N 2 0 196.338 2.013 20 0 AEADRP CCCC[NH2+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 4298843 342990397 /nfs/dbraw/zinc/99/03/97/342990397.db2.gz UECDAJBNCHQEBU-YOGCLGLASA-N 2 0 196.338 2.001 20 0 AEADRP CC[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 19881901 343063347 /nfs/dbraw/zinc/06/33/47/343063347.db2.gz HAUUUTXINYBWDU-NSHDSACASA-N 2 0 198.354 2.247 20 0 AEADRP CCC(CC)C[NH+]1CCC(C[NH3+])CC1 44511980 343267330 /nfs/dbraw/zinc/26/73/30/343267330.db2.gz IPNPYWVPXQDELY-UHFFFAOYSA-N 2 0 198.354 2.093 20 0 AEADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCCC1 84215417 343632333 /nfs/dbraw/zinc/63/23/33/343632333.db2.gz RTUFAYPAELAHGF-CMPLNLGQSA-N 2 0 196.338 2.036 20 0 AEADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCCCC1 84217295 343632358 /nfs/dbraw/zinc/63/23/58/343632358.db2.gz PTJZOYUTSWWNMD-ZYHUDNBSSA-N 2 0 196.338 2.036 20 0 AEADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 86401592 343651538 /nfs/dbraw/zinc/65/15/38/343651538.db2.gz HIIJVSQNBSSTIT-ZYHUDNBSSA-N 2 0 196.338 2.179 20 0 AEADRP C1CCC([NH2+]CCC[NH+]2CCCC2)C1 20128935 166086797 /nfs/dbraw/zinc/08/67/97/166086797.db2.gz RAMWKEJUMRPYQO-UHFFFAOYSA-N 2 0 196.338 2.005 20 0 AEADRP C1CCCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 40397402 166089699 /nfs/dbraw/zinc/08/96/99/166089699.db2.gz BPFQTJPBCKOZEA-GFCCVEGCSA-N 2 0 196.338 2.051 20 0 AEADRP C1CCCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 40397400 166090358 /nfs/dbraw/zinc/09/03/58/166090358.db2.gz BPFQTJPBCKOZEA-LBPRGKRZSA-N 2 0 196.338 2.051 20 0 AEADRP CC(C)(C)CC(C)(C)[NH2+]CCC[NH3+] 41620045 166350010 /nfs/dbraw/zinc/35/00/10/166350010.db2.gz KPHYVBAAKKFLDS-UHFFFAOYSA-N 2 0 186.343 2.140 20 0 AEADRP CC(C)(C)CC[NH+]1CCC(C[NH3+])CC1 49254910 166350567 /nfs/dbraw/zinc/35/05/67/166350567.db2.gz XPPSBFCFUNCQDM-UHFFFAOYSA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)(C)CC[NH2+]C1CCC([NH3+])CC1 61839608 166350849 /nfs/dbraw/zinc/35/08/49/166350849.db2.gz OJWNMRJQLFKNKO-UHFFFAOYSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 335425426 166353422 /nfs/dbraw/zinc/35/34/22/166353422.db2.gz LDWSZFFYEUBVFS-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)C[NH2+]CCCCCC[NH3+] 40494953 166353515 /nfs/dbraw/zinc/35/35/15/166353515.db2.gz WKQFPCYEWQMZBZ-UHFFFAOYSA-N 2 0 186.343 2.141 20 0 AEADRP CC(C)(C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] 335425424 166353631 /nfs/dbraw/zinc/35/36/31/166353631.db2.gz LDWSZFFYEUBVFS-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 335425423 166353942 /nfs/dbraw/zinc/35/39/42/166353942.db2.gz LDWSZFFYEUBVFS-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 335425425 166354264 /nfs/dbraw/zinc/35/42/64/166354264.db2.gz LDWSZFFYEUBVFS-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)C[NH2+]CCC[NH+]1CCCC1 41051165 166354425 /nfs/dbraw/zinc/35/44/25/166354425.db2.gz CRBTWATWVMUCMD-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CC(C)(C)C[NH2+]CC1([NH3+])CCCCC1 40494982 166354576 /nfs/dbraw/zinc/35/45/76/166354576.db2.gz YYRZMSHMNCNXJE-UHFFFAOYSA-N 2 0 198.354 2.284 20 0 AEADRP CC(C)(C)C[C@H](C[NH3+])[C@@H]1CCCC[NH2+]1 68590997 166355918 /nfs/dbraw/zinc/35/59/18/166355918.db2.gz NFNRHHBHQWDYFE-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)C[C@@H](C[NH3+])[C@@H]1CCCC[NH2+]1 68590992 166356076 /nfs/dbraw/zinc/35/60/76/166356076.db2.gz NFNRHHBHQWDYFE-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)C[C@@H](C[NH3+])[C@H]1CCCC[NH2+]1 68591002 166356963 /nfs/dbraw/zinc/35/69/63/166356963.db2.gz NFNRHHBHQWDYFE-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)C[C@H](C[NH3+])[C@H]1CCCC[NH2+]1 68591004 166357302 /nfs/dbraw/zinc/35/73/02/166357302.db2.gz NFNRHHBHQWDYFE-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)(C)[NH+]1CCC([NH2+]C2CC2)CC1 73653586 166359945 /nfs/dbraw/zinc/35/99/45/166359945.db2.gz XFLQAAUFAJGMRF-UHFFFAOYSA-N 2 0 196.338 2.001 20 0 AEADRP CC(C)(C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 334308423 166365290 /nfs/dbraw/zinc/36/52/90/166365290.db2.gz KNJNKKYSNJBROG-WDEREUQCSA-N 2 0 196.338 2.001 20 0 AEADRP CC(C)(C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 334308415 166365745 /nfs/dbraw/zinc/36/57/45/166365745.db2.gz KNJNKKYSNJBROG-QWRGUYRKSA-N 2 0 196.338 2.001 20 0 AEADRP CC(C)[NH+]1CCC([NH2+]C(C)(C)C)CC1 73652996 166521431 /nfs/dbraw/zinc/52/14/31/166521431.db2.gz FUOOLAHCZBCXCT-UHFFFAOYSA-N 2 0 198.354 2.247 20 0 AEADRP CC1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 335032495 166705731 /nfs/dbraw/zinc/70/57/31/166705731.db2.gz LOWXCNWNWGKPEG-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP CC1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 335032500 166706839 /nfs/dbraw/zinc/70/68/39/166706839.db2.gz LOWXCNWNWGKPEG-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP CCC(CC)C[NH2+]C1CCC([NH3+])CC1 51692948 166788559 /nfs/dbraw/zinc/78/85/59/166788559.db2.gz QBGJJYHFIFPMCP-UHFFFAOYSA-N 2 0 198.354 2.282 20 0 AEADRP CCC(CC)[NH2+]C[C@@H]1CCC[N@H+](C)C1 44534396 166794563 /nfs/dbraw/zinc/79/45/63/166794563.db2.gz GMUIDZDJOPNVFR-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP CCC1CC([NH2+]C2CCC([NH3+])CC2)C1 335134253 166814351 /nfs/dbraw/zinc/81/43/51/166814351.db2.gz AYKZRXMFHOSSCC-UHFFFAOYSA-N 2 0 196.338 2.035 20 0 AEADRP CCCCCC[NH+]1CCC(C[NH3+])CC1 20519814 166852260 /nfs/dbraw/zinc/85/22/60/166852260.db2.gz QUXYQVPKJMGNJS-UHFFFAOYSA-N 2 0 198.354 2.237 20 0 AEADRP CCCCC[NH+]1CCC(CC[NH3+])CC1 42427572 166863738 /nfs/dbraw/zinc/86/37/38/166863738.db2.gz SVWAZZGKQQKCOO-UHFFFAOYSA-N 2 0 198.354 2.237 20 0 AEADRP CCCC[NH2+]CC1CC[NH+](CC)CC1 44517564 166898846 /nfs/dbraw/zinc/89/88/46/166898846.db2.gz KZDXBHNCALLFHE-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CCCC[C@@H](C)[NH2+]CC1CC[NH2+]CC1 50889945 166915126 /nfs/dbraw/zinc/91/51/26/166915126.db2.gz RGMAKRFHVYSNIO-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH+]1CCC([NH2+]C(C)(C)C)CC1 73652807 166962069 /nfs/dbraw/zinc/96/20/69/166962069.db2.gz VDFOFAADJKTSRF-UHFFFAOYSA-N 2 0 198.354 2.249 20 0 AEADRP CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 37240241 166985473 /nfs/dbraw/zinc/98/54/73/166985473.db2.gz GZGFUIUAJSVWAX-UHFFFAOYSA-N 2 0 198.354 2.249 20 0 AEADRP CCC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 51693490 167032223 /nfs/dbraw/zinc/03/22/23/167032223.db2.gz XSJOUCADDPHTLD-KPPDAEKUSA-N 2 0 184.327 2.035 20 0 AEADRP CCC[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C 49553483 167034663 /nfs/dbraw/zinc/03/46/63/167034663.db2.gz FIBVJJDOYHNMOR-MNOVXSKESA-N 2 0 186.343 2.105 20 0 AEADRP 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JFZQUWWFPKLRTQ-SDDRHHMPSA-N 2 0 198.354 2.138 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](CC)[C@H]1C[C@H]1C 643530033 352997536 /nfs/dbraw/zinc/99/75/36/352997536.db2.gz YKKCBVNFZBOUEV-WISYIIOYSA-N 2 0 198.354 2.009 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+]C1CCC2(CC1)CC2 643540383 353002276 /nfs/dbraw/zinc/00/22/76/353002276.db2.gz ASGNROSVHHAXML-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)C(C)(C)CC 643540738 353003066 /nfs/dbraw/zinc/00/30/66/353003066.db2.gz HEWAFIURPKLNIM-UWVGGRQHSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCCC(C)(C)C1 643540629 353003075 /nfs/dbraw/zinc/00/30/75/353003075.db2.gz ZAHZQBOBLHRFDW-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 643541847 353003079 /nfs/dbraw/zinc/00/30/79/353003079.db2.gz LDIYTUAHDYYOKG-RYUDHWBXSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)C[C@H](C)[NH2+]CC1([NH3+])CCCC1 656789000 409452840 /nfs/dbraw/zinc/45/28/40/409452840.db2.gz HTWHTSRFMGIKKV-NSHDSACASA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CC1CC1)[NH2+]CC1([NH3+])CCCC1 656789075 409453104 /nfs/dbraw/zinc/45/31/04/409453104.db2.gz IGMFMQSJWAHAFS-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@H](C)C1CCCC1 308467188 409722669 /nfs/dbraw/zinc/72/26/69/409722669.db2.gz AHUGMBHBCDEGNO-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 4226797 342988969 /nfs/dbraw/zinc/98/89/69/342988969.db2.gz ISOUBZYDOXZEAN-LBPRGKRZSA-N 2 0 198.354 2.237 20 0 AEADRP CCCCC[NH2+]C1CC[NH+](CC)CC1 19901256 343063711 /nfs/dbraw/zinc/06/37/11/343063711.db2.gz QQYXKJQMIFGZMK-UHFFFAOYSA-N 2 0 198.354 2.251 20 0 AEADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCCC1 19905699 343064133 /nfs/dbraw/zinc/06/41/33/343064133.db2.gz CNWPAHVVUAFPFJ-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP C[NH+](C)CCC[NH2+]C1CCCCCC1 19958175 343065375 /nfs/dbraw/zinc/06/53/75/343065375.db2.gz BHWOATHULGUNGD-UHFFFAOYSA-N 2 0 198.354 2.251 20 0 AEADRP CN(C)C(C)(C)C[NH2+]C1CCCCC1 20125922 343067558 /nfs/dbraw/zinc/06/75/58/343067558.db2.gz GMYZJWQPLNGEOT-UHFFFAOYSA-N 2 0 198.354 2.249 20 0 AEADRP CCC(CC)C[NH2+]CCN1CCCC1 20126779 343067827 /nfs/dbraw/zinc/06/78/27/343067827.db2.gz FOJFZRSWZVZADC-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CC(C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 20143345 343068212 /nfs/dbraw/zinc/06/82/12/343068212.db2.gz HXSQEBMGGRYTEY-UHFFFAOYSA-N 2 0 198.354 2.294 20 0 AEADRP CCCC(CCC)[NH2+]C1CC[NH2+]CC1 32593156 343102684 /nfs/dbraw/zinc/10/26/84/343102684.db2.gz YNWAWZIVIUXKOA-UHFFFAOYSA-N 2 0 198.354 2.297 20 0 AEADRP CCCC[NH+]1CCC([NH2+]C(C)C)CC1 37150473 343161114 /nfs/dbraw/zinc/16/11/14/343161114.db2.gz BPMXTWUCCMTBPE-UHFFFAOYSA-N 2 0 198.354 2.249 20 0 AEADRP CC(C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 37786229 343178463 /nfs/dbraw/zinc/17/84/63/343178463.db2.gz ZUTAVMLSTSDSRN-UHFFFAOYSA-N 2 0 198.354 2.247 20 0 AEADRP C[C@H]([NH3+])CC[NH2+]C1CCCCCC1 40397496 343217313 /nfs/dbraw/zinc/21/73/13/343217313.db2.gz XNTOWDPJMWPNKL-JTQLQIEISA-N 2 0 184.327 2.036 20 0 AEADRP CC[NH+](CC)CCC[NH+]1CCCCC1 41209523 343232595 /nfs/dbraw/zinc/23/25/95/343232595.db2.gz CCTNMEGXUMVEOV-UHFFFAOYSA-N 2 0 198.354 2.204 20 0 AEADRP CC(C)[NH+]1CCC([NH2+]C2CCC2)CC1 44480477 343266705 /nfs/dbraw/zinc/26/67/05/343266705.db2.gz CVRMHCLAUDBOIY-UHFFFAOYSA-N 2 0 196.338 2.001 20 0 AEADRP CCC(CC)C[N@@H+]1CCC[C@@H](C[NH3+])C1 44527842 343266979 /nfs/dbraw/zinc/26/69/79/343266979.db2.gz KPPMOGKXPLJLKZ-LBPRGKRZSA-N 2 0 198.354 2.093 20 0 AEADRP CCC(CC)C[N@@H+]1CCC[C@H](C[NH3+])C1 44527841 343267080 /nfs/dbraw/zinc/26/70/80/343267080.db2.gz KPPMOGKXPLJLKZ-GFCCVEGCSA-N 2 0 198.354 2.093 20 0 AEADRP CCCCC[N@H+](C)CC(C)(C)C[NH3+] 51216035 343289541 /nfs/dbraw/zinc/28/95/41/343289541.db2.gz YOZWEKMQRZHNBJ-UHFFFAOYSA-N 2 0 186.343 2.093 20 0 AEADRP CCC1(C)CC[NH+](CC(C)(C)[NH3+])CC1 62959791 343388105 /nfs/dbraw/zinc/38/81/05/343388105.db2.gz VNHLYVVOENPTLP-UHFFFAOYSA-N 2 0 198.354 2.236 20 0 AEADRP CC[C@H](C)C[C@@H](C[NH3+])[C@@H]1CCCC[NH2+]1 68590960 343412176 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CDNJCLRDXJEOSC-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCCCC2)C1 86401586 343651296 /nfs/dbraw/zinc/65/12/96/343651296.db2.gz HIIJVSQNBSSTIT-CMPLNLGQSA-N 2 0 196.338 2.179 20 0 AEADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 86401594 343651550 /nfs/dbraw/zinc/65/15/50/343651550.db2.gz HIIJVSQNBSSTIT-PWSUYJOCSA-N 2 0 196.338 2.179 20 0 AEADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCCCC2)C1 86401589 343651560 /nfs/dbraw/zinc/65/15/60/343651560.db2.gz HIIJVSQNBSSTIT-JQWIXIFHSA-N 2 0 196.338 2.179 20 0 AEADRP [NH3+]C1(C[NH2+]C2CCCCCC2)CCC1 88051823 343667339 /nfs/dbraw/zinc/66/73/39/343667339.db2.gz IZCQLTNGEYTUHQ-UHFFFAOYSA-N 2 0 196.338 2.180 20 0 AEADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C)CC[N@@H+]1C 90720899 343676847 /nfs/dbraw/zinc/67/68/47/343676847.db2.gz ZMNCJIIMYYPNIY-WDEREUQCSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C)CC[N@@H+]1C 90720897 343676915 /nfs/dbraw/zinc/67/69/15/343676915.db2.gz ZMNCJIIMYYPNIY-GHMZBOCLSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)CC[N@@H+]1C 90720900 343676981 /nfs/dbraw/zinc/67/69/81/343676981.db2.gz ZMNCJIIMYYPNIY-MNOVXSKESA-N 2 0 198.354 2.105 20 0 AEADRP CC1(C)CC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 129578113 343853091 /nfs/dbraw/zinc/85/30/91/343853091.db2.gz AHNPHSANOHYVEL-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP CC1(C)CC[C@H]([NH2+]CC2([NH3+])CCC2)C1 129577901 343853193 /nfs/dbraw/zinc/85/31/93/343853193.db2.gz AHNPHSANOHYVEL-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP C1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 160655263 344173126 /nfs/dbraw/zinc/17/31/26/344173126.db2.gz KBHMIJATDFNUBE-LBPRGKRZSA-N 2 0 196.338 2.051 20 0 AEADRP C[C@@H](C[NH+]1CCC([NH3+])CC1)C(C)(C)C 162969694 344217143 /nfs/dbraw/zinc/21/71/43/344217143.db2.gz QCRUCEHMWQRNJF-JTQLQIEISA-N 2 0 198.354 2.092 20 0 AEADRP C[C@H](C[NH+]1CCC([NH3+])CC1)C(C)(C)C 162969802 344217211 /nfs/dbraw/zinc/21/72/11/344217211.db2.gz QCRUCEHMWQRNJF-SNVBAGLBSA-N 2 0 198.354 2.092 20 0 AEADRP CCCC[C@@H](C)[NH2+]C[C@H]1CCCN1C 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/nfs/dbraw/zinc/79/51/74/346795174.db2.gz LWHGFSQXQOUXHG-UHFFFAOYSA-N 2 0 198.354 2.059 20 0 AEADRP CCC[NH+]1CCC([N@@H+](C)CCC)CC1 599179996 346902007 /nfs/dbraw/zinc/90/20/07/346902007.db2.gz NFXHPUKXFDFKCH-UHFFFAOYSA-N 2 0 198.354 2.203 20 0 AEADRP CCC[N@H+](CCC[NH+](C)C)CC1CC1 604764003 346965325 /nfs/dbraw/zinc/96/53/25/346965325.db2.gz PNWRORGEBZJHMG-UHFFFAOYSA-N 2 0 198.354 2.060 20 0 AEADRP CCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 608507928 347009627 /nfs/dbraw/zinc/00/96/27/347009627.db2.gz LALVTIQIPFHOEL-LBPRGKRZSA-N 2 0 198.354 2.060 20 0 AEADRP CCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 608507926 347009789 /nfs/dbraw/zinc/00/97/89/347009789.db2.gz LALVTIQIPFHOEL-GFCCVEGCSA-N 2 0 198.354 2.060 20 0 AEADRP CCCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 608577970 347011329 /nfs/dbraw/zinc/01/13/29/347011329.db2.gz YRJIGTUDWQMKRO-LBPRGKRZSA-N 2 0 198.354 2.060 20 0 AEADRP CCCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 608577969 347011513 /nfs/dbraw/zinc/01/15/13/347011513.db2.gz YRJIGTUDWQMKRO-GFCCVEGCSA-N 2 0 198.354 2.060 20 0 AEADRP CCC[NH+]1CCC(CC[NH+](C)C)CC1 615464100 347080759 /nfs/dbraw/zinc/08/07/59/347080759.db2.gz KWUFJZVMCXHETG-UHFFFAOYSA-N 2 0 198.354 2.060 20 0 AEADRP CC[NH+](CC)CCC[N@H+](CC)C1CC1 619231227 347197621 /nfs/dbraw/zinc/19/76/21/347197621.db2.gz RNOCSWXPWMACQS-UHFFFAOYSA-N 2 0 198.354 2.203 20 0 AEADRP CC[C@H]([NH2+]CC[C@H](C)[NH3+])C1CCCC1 622044368 347236363 /nfs/dbraw/zinc/23/63/63/347236363.db2.gz CMNBZGSLTJTASP-JQWIXIFHSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC12CCCC2 622044388 347236435 /nfs/dbraw/zinc/23/64/35/347236435.db2.gz DEKYDJFMBWACFO-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC12CCCC2 622044387 347236492 /nfs/dbraw/zinc/23/64/92/347236492.db2.gz DEKYDJFMBWACFO-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+]CC[C@H](C)[NH3+] 622044557 347236530 /nfs/dbraw/zinc/23/65/30/347236530.db2.gz KJPMWOOLNKITGV-VHSXEESVSA-N 2 0 186.343 2.138 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+]CC[C@H](C)[NH3+] 622044556 347236550 /nfs/dbraw/zinc/23/65/50/347236550.db2.gz KJPMWOOLNKITGV-UWVGGRQHSA-N 2 0 186.343 2.138 20 0 AEADRP CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1CCC1 622044437 347236554 /nfs/dbraw/zinc/23/65/54/347236554.db2.gz FQEHPDSYUMCMSD-JQWIXIFHSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CC(C)(C)C[C@H]1C 622044534 347236639 /nfs/dbraw/zinc/23/66/39/347236639.db2.gz JLWNZRRLSRREKX-VWYCJHECSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC12CCC2 622044666 347236675 /nfs/dbraw/zinc/23/66/75/347236675.db2.gz OQMHJCQAHLCQFZ-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C 622044531 347236693 /nfs/dbraw/zinc/23/66/93/347236693.db2.gz JLWNZRRLSRREKX-DCAQKATOSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1CCCC1 622044367 347236696 /nfs/dbraw/zinc/23/66/96/347236696.db2.gz CMNBZGSLTJTASP-CMPLNLGQSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCC12CCC2 622044665 347236713 /nfs/dbraw/zinc/23/67/13/347236713.db2.gz OQMHJCQAHLCQFZ-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 622044532 347236725 /nfs/dbraw/zinc/23/67/25/347236725.db2.gz JLWNZRRLSRREKX-GARJFASQSA-N 2 0 198.354 2.138 20 0 AEADRP CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1CCC1 622044436 347236732 /nfs/dbraw/zinc/23/67/32/347236732.db2.gz FQEHPDSYUMCMSD-CMPLNLGQSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 622045115 347237250 /nfs/dbraw/zinc/23/72/50/347237250.db2.gz APOGJXPOSNEKSX-TUAOUCFPSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 622044741 347237286 /nfs/dbraw/zinc/23/72/86/347237286.db2.gz QVFUNMWRMWOLLD-NOOOWODRSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 622045113 347237377 /nfs/dbraw/zinc/23/73/77/347237377.db2.gz APOGJXPOSNEKSX-SDDRHHMPSA-N 2 0 198.354 2.282 20 0 AEADRP CC1CC(C[NH2+][C@H](C)CCCC[NH3+])C1 622044726 347237437 /nfs/dbraw/zinc/23/74/37/347237437.db2.gz QIQOWGCDMNPRMH-MOENNCHZSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@H](C)CC[C@H]1C 622044744 347237439 /nfs/dbraw/zinc/23/74/39/347237439.db2.gz QVFUNMWRMWOLLD-WYUUTHIRSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+]C1CCC2(CC1)CC2 622044700 347237467 /nfs/dbraw/zinc/23/74/67/347237467.db2.gz PUHDKHQIHKMNQP-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 622045114 347237471 /nfs/dbraw/zinc/23/74/71/347237471.db2.gz APOGJXPOSNEKSX-SRVKXCTJSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 622045112 347237601 /nfs/dbraw/zinc/23/76/01/347237601.db2.gz APOGJXPOSNEKSX-QJPTWQEYSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)[NH3+] 622045177 347237640 /nfs/dbraw/zinc/23/76/40/347237640.db2.gz FVFHTSHVBMKGGR-QJPTWQEYSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 622044743 347237652 /nfs/dbraw/zinc/23/76/52/347237652.db2.gz QVFUNMWRMWOLLD-WISYIIOYSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C 622044742 347237677 /nfs/dbraw/zinc/23/76/77/347237677.db2.gz QVFUNMWRMWOLLD-RHYQMDGZSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)[NH3+] 622045180 347238089 /nfs/dbraw/zinc/23/80/89/347238089.db2.gz FVFHTSHVBMKGGR-TUAOUCFPSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@@H](CC)[NH2+]CC[C@H](C)[NH3+] 622045612 347238110 /nfs/dbraw/zinc/23/81/10/347238110.db2.gz DMVQWZGYYZBJFN-WDEREUQCSA-N 2 0 186.343 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC(C)(C)C1 622045229 347238128 /nfs/dbraw/zinc/23/81/28/347238128.db2.gz IGENJCYRANQOHW-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+]C1C[C@@H](C)C[C@H](C)C1 622045413 347238136 /nfs/dbraw/zinc/23/81/36/347238136.db2.gz SMZLUGWUCOKNGY-DCAQKATOSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CC[C@@H](C)C[C@H]1C 622045304 347238161 /nfs/dbraw/zinc/23/81/61/347238161.db2.gz LOUFPFYOCXLJLS-WYUUTHIRSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 622045326 347238176 /nfs/dbraw/zinc/23/81/76/347238176.db2.gz MXSQGZYSYMFSIC-WYUUTHIRSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 622045457 347238209 /nfs/dbraw/zinc/23/82/09/347238209.db2.gz VXRROHQOEGLTTK-WRWGMCAJSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+]C1[C@@H](C)CCC[C@@H]1C 622045197 347238248 /nfs/dbraw/zinc/23/82/48/347238248.db2.gz GRXQXJDFEGIXHP-DCAQKATOSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC[C@H](CC)[NH2+]CC[C@H](C)[NH3+] 622045611 347238264 /nfs/dbraw/zinc/23/82/64/347238264.db2.gz DMVQWZGYYZBJFN-QWRGUYRKSA-N 2 0 186.343 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H](C)CC1CCCC1 622045252 347238281 /nfs/dbraw/zinc/23/82/81/347238281.db2.gz JZNNYAANMHTSED-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 622045415 347238302 /nfs/dbraw/zinc/23/83/02/347238302.db2.gz SMZLUGWUCOKNGY-WHOHXGKFSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 622045323 347238312 /nfs/dbraw/zinc/23/83/12/347238312.db2.gz MXSQGZYSYMFSIC-NOOOWODRSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C 622045456 347238339 /nfs/dbraw/zinc/23/83/39/347238339.db2.gz VXRROHQOEGLTTK-RHYQMDGZSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 622045303 347238395 /nfs/dbraw/zinc/23/83/95/347238395.db2.gz LOUFPFYOCXLJLS-WISYIIOYSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+]C1CCC(C)(C)CC1 622045641 347238423 /nfs/dbraw/zinc/23/84/23/347238423.db2.gz IPQYXVPLHRBMDD-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 622045199 347238439 /nfs/dbraw/zinc/23/84/39/347238439.db2.gz GRXQXJDFEGIXHP-WHOHXGKFSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+]C1[C@H](C)CCC[C@H]1C 622045198 347238454 /nfs/dbraw/zinc/23/84/54/347238454.db2.gz GRXQXJDFEGIXHP-MXWKQRLJSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 622045455 347238461 /nfs/dbraw/zinc/23/84/61/347238461.db2.gz VXRROHQOEGLTTK-NOOOWODRSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCCC1(C)C 622045501 347238467 /nfs/dbraw/zinc/23/84/67/347238467.db2.gz ZFTKRCUFMHSKJM-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 622045414 347238473 /nfs/dbraw/zinc/23/84/73/347238473.db2.gz SMZLUGWUCOKNGY-MXWKQRLJSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CC1CCCC1 622045251 347238489 /nfs/dbraw/zinc/23/84/89/347238489.db2.gz JZNNYAANMHTSED-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CCC1CCC([NH2+]CC[C@H](C)[NH3+])CC1 622045628 347238495 /nfs/dbraw/zinc/23/84/95/347238495.db2.gz HONKUNKUTBOUGU-UNXYVOJBSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)[NH3+] 622045487 347238532 /nfs/dbraw/zinc/23/85/32/347238532.db2.gz XTPBQFWAMMTOOG-SRVKXCTJSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCCC1(C)C 622045502 347238540 /nfs/dbraw/zinc/23/85/40/347238540.db2.gz ZFTKRCUFMHSKJM-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)[NH3+] 622045486 347238555 /nfs/dbraw/zinc/23/85/55/347238555.db2.gz XTPBQFWAMMTOOG-SDDRHHMPSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 622045325 347238564 /nfs/dbraw/zinc/23/85/64/347238564.db2.gz MXSQGZYSYMFSIC-WISYIIOYSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]1CCCC[C@H]1[NH2+]CC[C@H](C)[NH3+] 622045178 347238595 /nfs/dbraw/zinc/23/85/95/347238595.db2.gz FVFHTSHVBMKGGR-SDDRHHMPSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H](C)c1cccs1 622045557 347238619 /nfs/dbraw/zinc/23/86/19/347238619.db2.gz AAKNTVPYKBVAKZ-DTWKUNHWSA-N 2 0 198.335 2.136 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCC(C)(C)C1 622045228 347238637 /nfs/dbraw/zinc/23/86/37/347238637.db2.gz IGENJCYRANQOHW-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 622045324 347238659 /nfs/dbraw/zinc/23/86/59/347238659.db2.gz MXSQGZYSYMFSIC-RHYQMDGZSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C 622045301 347238665 /nfs/dbraw/zinc/23/86/65/347238665.db2.gz LOUFPFYOCXLJLS-NOOOWODRSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]1CCC[C@H]1[NH2+]CC[C@H](C)[NH3+] 622045485 347238682 /nfs/dbraw/zinc/23/86/82/347238682.db2.gz XTPBQFWAMMTOOG-QJPTWQEYSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)[NH3+] 622045179 347238713 /nfs/dbraw/zinc/23/87/13/347238713.db2.gz FVFHTSHVBMKGGR-SRVKXCTJSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccs1 622045558 347238770 /nfs/dbraw/zinc/23/87/70/347238770.db2.gz AAKNTVPYKBVAKZ-IUCAKERBSA-N 2 0 198.335 2.136 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccsc1 622045564 347238789 /nfs/dbraw/zinc/23/87/89/347238789.db2.gz ATWIPSWDZVMCCN-IUCAKERBSA-N 2 0 198.335 2.136 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C 622045302 347238803 /nfs/dbraw/zinc/23/88/03/347238803.db2.gz LOUFPFYOCXLJLS-RHYQMDGZSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H](C)c1ccsc1 622045563 347238810 /nfs/dbraw/zinc/23/88/10/347238810.db2.gz ATWIPSWDZVMCCN-DTWKUNHWSA-N 2 0 198.335 2.136 20 0 AEADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC[C@H](C)[NH3+] 622045488 347238864 /nfs/dbraw/zinc/23/88/64/347238864.db2.gz XTPBQFWAMMTOOG-TUAOUCFPSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H](C)[C@H]1C 622045454 347238870 /nfs/dbraw/zinc/23/88/70/347238870.db2.gz VXRROHQOEGLTTK-KXNHARMFSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@H](C)C1CCCCC1 622045677 347239100 /nfs/dbraw/zinc/23/91/00/347239100.db2.gz MVJUPJFUNYBVKG-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)C1CCCCC1 622045676 347239129 /nfs/dbraw/zinc/23/91/29/347239129.db2.gz MVJUPJFUNYBVKG-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] 622045769 347239144 /nfs/dbraw/zinc/23/91/44/347239144.db2.gz WRYWHHULTNZSDN-WDEREUQCSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)=CCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] 622045726 347239170 /nfs/dbraw/zinc/23/91/70/347239170.db2.gz RRIOCYOXOXHYRT-RYUDHWBXSA-N 2 0 198.354 2.448 20 0 AEADRP CC(C)CC[C@H](C)[NH2+]CC[C@H](C)[NH3+] 622045768 347239206 /nfs/dbraw/zinc/23/92/06/347239206.db2.gz WRYWHHULTNZSDN-QWRGUYRKSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)=CCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] 622045725 347239482 /nfs/dbraw/zinc/23/94/82/347239482.db2.gz RRIOCYOXOXHYRT-NWDGAFQWSA-N 2 0 198.354 2.448 20 0 AEADRP CCCC(CCC)[NH2+]CC[C@H](C)[NH3+] 622045701 347239634 /nfs/dbraw/zinc/23/96/34/347239634.db2.gz PHZJVCLEWZTAMM-JTQLQIEISA-N 2 0 186.343 2.282 20 0 AEADRP CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 624120330 347269898 /nfs/dbraw/zinc/26/98/98/347269898.db2.gz WFMOLGIXPGLOLQ-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 624120328 347269825 /nfs/dbraw/zinc/26/98/25/347269825.db2.gz WFMOLGIXPGLOLQ-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 624120327 347269908 /nfs/dbraw/zinc/26/99/08/347269908.db2.gz WFMOLGIXPGLOLQ-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 624120329 347269920 /nfs/dbraw/zinc/26/99/20/347269920.db2.gz WFMOLGIXPGLOLQ-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CC[NH2+]C1 629408603 347342990 /nfs/dbraw/zinc/34/29/90/347342990.db2.gz SWLOKIRBDNFYTK-IJLUTSLNSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)C[C@@H](CC)[NH2+][C@@H]1CC[NH2+]C1 629408605 347342997 /nfs/dbraw/zinc/34/29/97/347342997.db2.gz SWLOKIRBDNFYTK-QJPTWQEYSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H](C[C@H](C)CC)[NH2+][C@@H]1CC[NH2+]C1 629408601 347343297 /nfs/dbraw/zinc/34/32/97/347343297.db2.gz SWLOKIRBDNFYTK-GRYCIOLGSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[NH2+]C1 629408606 347343499 /nfs/dbraw/zinc/34/34/99/347343499.db2.gz SWLOKIRBDNFYTK-SDDRHHMPSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]CC1CC=CC1 629513501 347345084 /nfs/dbraw/zinc/34/50/84/347345084.db2.gz HDUJLBACVLUDPV-LLVKDONJSA-N 2 0 196.338 2.060 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]CC1CC=CC1 629513502 347345321 /nfs/dbraw/zinc/34/53/21/347345321.db2.gz HDUJLBACVLUDPV-NSHDSACASA-N 2 0 196.338 2.060 20 0 AEADRP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 629545473 347347679 /nfs/dbraw/zinc/34/76/79/347347679.db2.gz JVOXRXOYIYFBAL-VXGBXAGGSA-N 2 0 196.338 2.073 20 0 AEADRP C[C@H](N)C[N@@H+]1CC(C)(C)CCC1(C)C 629548426 347347704 /nfs/dbraw/zinc/34/77/04/347347704.db2.gz ZQXYHWJMYDDJEB-JTQLQIEISA-N 2 0 198.354 2.234 20 0 AEADRP C[C@@H](N)C[N@@H+]1CC(C)(C)CCC1(C)C 629548427 347347887 /nfs/dbraw/zinc/34/78/87/347347887.db2.gz ZQXYHWJMYDDJEB-SNVBAGLBSA-N 2 0 198.354 2.234 20 0 AEADRP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 629545472 347347942 /nfs/dbraw/zinc/34/79/42/347347942.db2.gz JVOXRXOYIYFBAL-NWDGAFQWSA-N 2 0 196.338 2.073 20 0 AEADRP CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H]1CC[NH2+]C1 629553445 347349696 /nfs/dbraw/zinc/34/96/96/347349696.db2.gz PQJBMHGDQGCODL-IJLUTSLNSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CC[NH2+]C1 629553446 347349931 /nfs/dbraw/zinc/34/99/31/347349931.db2.gz PQJBMHGDQGCODL-QJPTWQEYSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[NH2+]C1 629553447 347349972 /nfs/dbraw/zinc/34/99/72/347349972.db2.gz PQJBMHGDQGCODL-TUAOUCFPSA-N 2 0 198.354 2.153 20 0 AEADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCCC2)CC1 635006148 347436207 /nfs/dbraw/zinc/43/62/07/347436207.db2.gz LIGZNAQEICWWQV-UMSPYCQHSA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 635009351 347436994 /nfs/dbraw/zinc/43/69/94/347436994.db2.gz YBBTZBGDXOEJPB-IJLUTSLNSA-N 2 0 198.354 2.138 20 0 AEADRP CCC[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 635008207 347437000 /nfs/dbraw/zinc/43/70/00/347437000.db2.gz RZEWLEZVQMEOSZ-IJLUTSLNSA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 635008208 347437214 /nfs/dbraw/zinc/43/72/14/347437214.db2.gz RZEWLEZVQMEOSZ-SRVKXCTJSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 635009352 347437401 /nfs/dbraw/zinc/43/74/01/347437401.db2.gz YBBTZBGDXOEJPB-SRVKXCTJSA-N 2 0 198.354 2.138 20 0 AEADRP CC[N@H+](C)CCCC[NH+]1CCCCC1 640531316 347556072 /nfs/dbraw/zinc/55/60/72/347556072.db2.gz NZDPVJVRPIBTKY-UHFFFAOYSA-N 2 0 198.354 2.204 20 0 AEADRP C[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] 4226792 351325989 /nfs/dbraw/zinc/32/59/89/351325989.db2.gz GYZMQJUNGAHKEN-GFCCVEGCSA-N 2 0 198.354 2.380 20 0 AEADRP CC[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 19881900 351396609 /nfs/dbraw/zinc/39/66/09/351396609.db2.gz HAUUUTXINYBWDU-LLVKDONJSA-N 2 0 198.354 2.247 20 0 AEADRP CC(C)C[NH2+]C1CC[NH+](C(C)C)CC1 19882944 351396969 /nfs/dbraw/zinc/39/69/69/351396969.db2.gz COUAOWOWVZLZHB-UHFFFAOYSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)C[NH2+]CCC[NH+]1CCCCC1 20128731 351401202 /nfs/dbraw/zinc/40/12/02/351401202.db2.gz VXYUDBKAORAJLF-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CC(C)([NH3+])C[NH2+]C1CCCCCC1 40926050 351513511 /nfs/dbraw/zinc/51/35/11/351513511.db2.gz VKWOXABERKRKHW-UHFFFAOYSA-N 2 0 184.327 2.036 20 0 AEADRP CC(C)C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 51693703 351558778 /nfs/dbraw/zinc/55/87/78/351558778.db2.gz JYORYNKWKAEOML-VOMCLLRMSA-N 2 0 198.354 2.281 20 0 AEADRP CC(C)C[C@H](C)[NH2+]C1CCC([NH3+])CC1 51693704 351559048 /nfs/dbraw/zinc/55/90/48/351559048.db2.gz JYORYNKWKAEOML-UNXYVOJBSA-N 2 0 198.354 2.281 20 0 AEADRP CC(C)C[NH+]1CCC([NH2+]C(C)C)CC1 73652845 351619263 /nfs/dbraw/zinc/61/92/63/351619263.db2.gz GPSHHNYEDSHKSC-UHFFFAOYSA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1[NH3+] 86884486 351656517 /nfs/dbraw/zinc/65/65/17/351656517.db2.gz CUYBOYVZFXKACL-MNOVXSKESA-N 2 0 198.354 2.092 20 0 AEADRP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1[NH3+] 86884488 351657163 /nfs/dbraw/zinc/65/71/63/351657163.db2.gz CUYBOYVZFXKACL-QWRGUYRKSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)C1CC[NH+](CC(C)(C)[NH3+])CC1 108310289 351720971 /nfs/dbraw/zinc/72/09/71/351720971.db2.gz CNWUVTZZPKEEEI-UHFFFAOYSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)(N)C[N@@H+]1CCC[C@H]1C(C)(C)C 108310303 351721065 /nfs/dbraw/zinc/72/10/65/351721065.db2.gz OJZIHTXTPQWCGU-JTQLQIEISA-N 2 0 198.354 2.234 20 0 AEADRP CC(C)(N)C[N@@H+]1CCC[C@@H]1C(C)(C)C 108310307 351721265 /nfs/dbraw/zinc/72/12/65/351721265.db2.gz OJZIHTXTPQWCGU-SNVBAGLBSA-N 2 0 198.354 2.234 20 0 AEADRP CCCCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 164645645 351765442 /nfs/dbraw/zinc/76/54/42/351765442.db2.gz YHBAJZUIQJSCKJ-NWDGAFQWSA-N 2 0 198.354 2.093 20 0 AEADRP CCCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 164645764 351765565 /nfs/dbraw/zinc/76/55/65/351765565.db2.gz YHBAJZUIQJSCKJ-VXGBXAGGSA-N 2 0 198.354 2.093 20 0 AEADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1[NH3+] 251592690 351835476 /nfs/dbraw/zinc/83/54/76/351835476.db2.gz CUYBOYVZFXKACL-GHMZBOCLSA-N 2 0 198.354 2.092 20 0 AEADRP C[NH2+]CCC[N@H+](C)CCC1CCCC1 258696465 351866339 /nfs/dbraw/zinc/86/63/39/351866339.db2.gz GKBOYHGPONNFDZ-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CC(C)=CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 300333138 351895550 /nfs/dbraw/zinc/89/55/50/351895550.db2.gz GPLITJMHKDRWEL-NEPJUHHUSA-N 2 0 196.338 2.025 20 0 AEADRP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 300333139 351895627 /nfs/dbraw/zinc/89/56/27/351895627.db2.gz GPLITJMHKDRWEL-VXGBXAGGSA-N 2 0 196.338 2.025 20 0 AEADRP CC(C)([NH3+])C[NH2+][C@@H]1CCCCC1(C)C 306471977 351934760 /nfs/dbraw/zinc/93/47/60/351934760.db2.gz JMXPYYAGFFCWHF-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)([NH3+])C[NH2+][C@H]1CCCCC1(C)C 306471968 351934769 /nfs/dbraw/zinc/93/47/69/351934769.db2.gz JMXPYYAGFFCWHF-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]1C[C@@H](C[N@H+](C)C(C)(C)C)CC[NH2+]1 307020518 351981164 /nfs/dbraw/zinc/98/11/64/351981164.db2.gz ZOBFIUSBYGZCMK-MNOVXSKESA-N 2 0 198.354 2.105 20 0 AEADRP C[C@@H]1C[C@H](C[N@H+](C)C(C)(C)C)CC[NH2+]1 307020507 351981201 /nfs/dbraw/zinc/98/12/01/351981201.db2.gz ZOBFIUSBYGZCMK-GHMZBOCLSA-N 2 0 198.354 2.105 20 0 AEADRP CC[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 334440912 352069625 /nfs/dbraw/zinc/06/96/25/352069625.db2.gz YMJBZMBAUVAJLE-VXGBXAGGSA-N 2 0 198.354 2.201 20 0 AEADRP CC[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 334440909 352070119 /nfs/dbraw/zinc/07/01/19/352070119.db2.gz YMJBZMBAUVAJLE-NEPJUHHUSA-N 2 0 198.354 2.201 20 0 AEADRP CC(C)([NH3+])C[NH2+][C@H]1CCCC12CCC2 335599369 352105863 /nfs/dbraw/zinc/10/58/63/352105863.db2.gz QFOXNENXOXXVDU-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC(C)(C)[NH3+] 335599899 352106039 /nfs/dbraw/zinc/10/60/39/352106039.db2.gz UCHYDSUHYXIHFB-ZJUUUORDSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC(C)(C)[NH3+] 335599896 352106059 /nfs/dbraw/zinc/10/60/59/352106059.db2.gz UCHYDSUHYXIHFB-NXEZZACHSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)([NH3+])C[NH2+][C@H]1CCC12CCCC2 335597042 352106137 /nfs/dbraw/zinc/10/61/37/352106137.db2.gz HKYAWUTYMKYWQF-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)([NH3+])C[NH2+][C@@H]1CCCC12CCC2 335599370 352106292 /nfs/dbraw/zinc/10/62/92/352106292.db2.gz QFOXNENXOXXVDU-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)([NH3+])C[NH2+]C1CCC2(CC1)CC2 335599372 352106406 /nfs/dbraw/zinc/10/64/06/352106406.db2.gz QGXZRPDYULKKTQ-UHFFFAOYSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(C)(C)[NH3+] 335596111 352106466 /nfs/dbraw/zinc/10/64/66/352106466.db2.gz DFWZNVIPRZCVDE-NXEZZACHSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)([NH3+])C[NH2+][C@@H]1CCC12CCCC2 335597043 352106472 /nfs/dbraw/zinc/10/64/72/352106472.db2.gz HKYAWUTYMKYWQF-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CCC1 335647764 352107577 /nfs/dbraw/zinc/10/75/77/352107577.db2.gz ADOIUJNLPSTTEX-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCC2)C1 335648301 352107636 /nfs/dbraw/zinc/10/76/36/352107636.db2.gz FXARHKXFUCVKMT-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 335648300 352107715 /nfs/dbraw/zinc/10/77/15/352107715.db2.gz FXARHKXFUCVKMT-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CCC1 335647762 352107721 /nfs/dbraw/zinc/10/77/21/352107721.db2.gz ADOIUJNLPSTTEX-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 336119663 352126268 /nfs/dbraw/zinc/12/62/68/352126268.db2.gz HUSKMKRNNLMTSC-LBPRGKRZSA-N 2 0 198.354 2.059 20 0 AEADRP CC(C)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 336119662 352126488 /nfs/dbraw/zinc/12/64/88/352126488.db2.gz HUSKMKRNNLMTSC-GFCCVEGCSA-N 2 0 198.354 2.059 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 643451694 352951827 /nfs/dbraw/zinc/95/18/27/352951827.db2.gz LAXIAHWSRPBDNB-FIQHERPVSA-N 2 0 198.354 2.281 20 0 AEADRP CC[C@@H]([NH2+]CC(C)(C)C)[C@@H]1CCC[NH2+]1 643451707 352951916 /nfs/dbraw/zinc/95/19/16/352951916.db2.gz NVPBZDDOGYTLIR-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H]([NH2+]CC(C)(C)C)[C@@H]1CCC[NH2+]1 643451708 352951936 /nfs/dbraw/zinc/95/19/36/352951936.db2.gz NVPBZDDOGYTLIR-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 643451696 352951973 /nfs/dbraw/zinc/95/19/73/352951973.db2.gz LAXIAHWSRPBDNB-RHYQMDGZSA-N 2 0 198.354 2.281 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 643451695 352952053 /nfs/dbraw/zinc/95/20/53/352952053.db2.gz LAXIAHWSRPBDNB-NOOOWODRSA-N 2 0 198.354 2.281 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 643451693 352952059 /nfs/dbraw/zinc/95/20/59/352952059.db2.gz LAXIAHWSRPBDNB-BJDJZHNGSA-N 2 0 198.354 2.281 20 0 AEADRP CCC[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 643454083 352952460 /nfs/dbraw/zinc/95/24/60/352952460.db2.gz RZEWLEZVQMEOSZ-UNXYVOJBSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C 643454176 352952522 /nfs/dbraw/zinc/95/25/22/352952522.db2.gz PFQOFBSONXCPAE-BJDJZHNGSA-N 2 0 198.354 2.281 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C 643454177 352952591 /nfs/dbraw/zinc/95/25/91/352952591.db2.gz PFQOFBSONXCPAE-FIQHERPVSA-N 2 0 198.354 2.281 20 0 AEADRP CCC[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 643454084 352952713 /nfs/dbraw/zinc/95/27/13/352952713.db2.gz RZEWLEZVQMEOSZ-VOMCLLRMSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C 643454178 352952783 /nfs/dbraw/zinc/95/27/83/352952783.db2.gz PFQOFBSONXCPAE-NOOOWODRSA-N 2 0 198.354 2.281 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C 643454179 352952867 /nfs/dbraw/zinc/95/28/67/352952867.db2.gz PFQOFBSONXCPAE-RHYQMDGZSA-N 2 0 198.354 2.281 20 0 AEADRP CCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643454244 352953269 /nfs/dbraw/zinc/95/32/69/352953269.db2.gz PWXSCNHNQNPUPY-MNOVXSKESA-N 2 0 184.327 2.036 20 0 AEADRP CC[C@H]([NH2+]CCC(C)C)[C@@H]1CCC[NH2+]1 643454431 352953317 /nfs/dbraw/zinc/95/33/17/352953317.db2.gz QXFAULKWPLYKCH-RYUDHWBXSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 643454419 352953343 /nfs/dbraw/zinc/95/33/43/352953343.db2.gz NRGVXCWDHKZPPX-GHMZBOCLSA-N 2 0 198.354 2.009 20 0 AEADRP CCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643454243 352953368 /nfs/dbraw/zinc/95/33/68/352953368.db2.gz PWXSCNHNQNPUPY-GHMZBOCLSA-N 2 0 184.327 2.036 20 0 AEADRP CCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643454246 352953467 /nfs/dbraw/zinc/95/34/67/352953467.db2.gz PWXSCNHNQNPUPY-WDEREUQCSA-N 2 0 184.327 2.036 20 0 AEADRP CC(C)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643454444 352953414 /nfs/dbraw/zinc/95/34/14/352953414.db2.gz WDTGULYIBLOYEL-NEPJUHHUSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643454245 352953437 /nfs/dbraw/zinc/95/34/37/352953437.db2.gz PWXSCNHNQNPUPY-QWRGUYRKSA-N 2 0 184.327 2.036 20 0 AEADRP CC(C)CC[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 643454421 352953441 /nfs/dbraw/zinc/95/34/41/352953441.db2.gz NRGVXCWDHKZPPX-QWRGUYRKSA-N 2 0 198.354 2.009 20 0 AEADRP CC(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C 643454384 352953457 /nfs/dbraw/zinc/95/34/57/352953457.db2.gz AHZBKGJNBITYKE-NWDGAFQWSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C 643454383 352953462 /nfs/dbraw/zinc/95/34/62/352953462.db2.gz AHZBKGJNBITYKE-NEPJUHHUSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643454445 352953507 /nfs/dbraw/zinc/95/35/07/352953507.db2.gz WDTGULYIBLOYEL-NWDGAFQWSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C 643454386 352953540 /nfs/dbraw/zinc/95/35/40/352953540.db2.gz AHZBKGJNBITYKE-VXGBXAGGSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)CC[NH2+]C1CCC(C[NH3+])CC1 643454443 352953552 /nfs/dbraw/zinc/95/35/52/352953552.db2.gz UVMYDIVIJSIPAT-UHFFFAOYSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H]([NH2+]C1CCCC1)[C@@H]1CCC[NH2+]1 643454259 352953579 /nfs/dbraw/zinc/95/35/79/352953579.db2.gz WUMDIUZPEBYUSD-RYUDHWBXSA-N 2 0 196.338 2.049 20 0 AEADRP CC(C)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C 643454385 352953661 /nfs/dbraw/zinc/95/36/61/352953661.db2.gz AHZBKGJNBITYKE-RYUDHWBXSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H]([NH2+]CCC(C)C)[C@@H]1CCC[NH2+]1 643454430 352953706 /nfs/dbraw/zinc/95/37/06/352953706.db2.gz QXFAULKWPLYKCH-NEPJUHHUSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643454446 352953724 /nfs/dbraw/zinc/95/37/24/352953724.db2.gz WDTGULYIBLOYEL-RYUDHWBXSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]([NH2+]C1CCCC1)[C@@H]1CCC[NH2+]1 643454258 352953755 /nfs/dbraw/zinc/95/37/55/352953755.db2.gz WUMDIUZPEBYUSD-NEPJUHHUSA-N 2 0 196.338 2.049 20 0 AEADRP CCC(CC)[NH2+]C1CCC(C[NH3+])CC1 643454414 352953783 /nfs/dbraw/zinc/95/37/83/352953783.db2.gz LAOFVEMJNSWSGL-UHFFFAOYSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643454447 352953809 /nfs/dbraw/zinc/95/38/09/352953809.db2.gz WDTGULYIBLOYEL-VXGBXAGGSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CC[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 643454422 352953820 /nfs/dbraw/zinc/95/38/20/352953820.db2.gz NRGVXCWDHKZPPX-WDEREUQCSA-N 2 0 198.354 2.009 20 0 AEADRP CC(C)CC[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 643454420 352953884 /nfs/dbraw/zinc/95/38/84/352953884.db2.gz NRGVXCWDHKZPPX-MNOVXSKESA-N 2 0 198.354 2.009 20 0 AEADRP CCCCC[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 643455669 352954138 /nfs/dbraw/zinc/95/41/38/352954138.db2.gz WTCCGOYWHCVQNQ-FOSCPWQOSA-N 2 0 196.338 2.049 20 0 AEADRP CCCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643455621 352954194 /nfs/dbraw/zinc/95/41/94/352954194.db2.gz GZUNVKFUSGCTRZ-NWDGAFQWSA-N 2 0 198.354 2.426 20 0 AEADRP CCCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C 643455667 352954235 /nfs/dbraw/zinc/95/42/35/352954235.db2.gz WCSZYSTUMVYGIM-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CCCCC1 643455661 352954313 /nfs/dbraw/zinc/95/43/13/352954313.db2.gz WASGQMNKZJBACV-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643455623 352954328 /nfs/dbraw/zinc/95/43/28/352954328.db2.gz GZUNVKFUSGCTRZ-VXGBXAGGSA-N 2 0 198.354 2.426 20 0 AEADRP CCCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C 643455665 352954355 /nfs/dbraw/zinc/95/43/55/352954355.db2.gz WCSZYSTUMVYGIM-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CCCCC1 643455663 352954370 /nfs/dbraw/zinc/95/43/70/352954370.db2.gz WASGQMNKZJBACV-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CC1CCCCC1 643455662 352954408 /nfs/dbraw/zinc/95/44/08/352954408.db2.gz WASGQMNKZJBACV-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CCCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C 643455668 352954550 /nfs/dbraw/zinc/95/45/50/352954550.db2.gz WCSZYSTUMVYGIM-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CCCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643455620 352954621 /nfs/dbraw/zinc/95/46/21/352954621.db2.gz GZUNVKFUSGCTRZ-NEPJUHHUSA-N 2 0 198.354 2.426 20 0 AEADRP CCCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643455622 352954753 /nfs/dbraw/zinc/95/47/53/352954753.db2.gz GZUNVKFUSGCTRZ-RYUDHWBXSA-N 2 0 198.354 2.426 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]CC1CCCCC1 643455664 352954835 /nfs/dbraw/zinc/95/48/35/352954835.db2.gz WASGQMNKZJBACV-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 643455655 352954841 /nfs/dbraw/zinc/95/48/41/352954841.db2.gz VLUQIJITKNHFEM-NEPJUHHUSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C 643455666 352954866 /nfs/dbraw/zinc/95/48/66/352954866.db2.gz WCSZYSTUMVYGIM-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CCCCC[NH2+]C1CCC(C[NH3+])CC1 643455644 352954871 /nfs/dbraw/zinc/95/48/71/352954871.db2.gz SRJZFVDIJFSQBY-UHFFFAOYSA-N 2 0 198.354 2.284 20 0 AEADRP CCCCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 643455656 352954903 /nfs/dbraw/zinc/95/49/03/352954903.db2.gz VLUQIJITKNHFEM-RYUDHWBXSA-N 2 0 198.354 2.297 20 0 AEADRP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] 643458471 352955107 /nfs/dbraw/zinc/95/51/07/352955107.db2.gz NYCDPPXKKQKJPS-QWRGUYRKSA-N 2 0 186.343 2.138 20 0 AEADRP CCC1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCC1 643461092 352955122 /nfs/dbraw/zinc/95/51/22/352955122.db2.gz QJOHDWJHNAQCLU-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643458470 352955130 /nfs/dbraw/zinc/95/51/30/352955130.db2.gz NYCDPPXKKQKJPS-MNOVXSKESA-N 2 0 186.343 2.138 20 0 AEADRP CCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCC1 643461028 352955286 /nfs/dbraw/zinc/95/52/86/352955286.db2.gz BEIXWILRRKVKEY-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCC1 643461031 352955471 /nfs/dbraw/zinc/95/54/71/352955471.db2.gz BEIXWILRRKVKEY-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCC1 643461029 352955562 /nfs/dbraw/zinc/95/55/62/352955562.db2.gz BEIXWILRRKVKEY-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] 643458469 352955617 /nfs/dbraw/zinc/95/56/17/352955617.db2.gz NYCDPPXKKQKJPS-GHMZBOCLSA-N 2 0 186.343 2.138 20 0 AEADRP CCC(CC)C[NH2+][C@H](C)C[C@H](C)[NH3+] 643461740 352955643 /nfs/dbraw/zinc/95/56/43/352955643.db2.gz DPESXNBAOPSIOZ-VHSXEESVSA-N 2 0 186.343 2.138 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCCC1(C)C 643460422 352955666 /nfs/dbraw/zinc/95/56/66/352955666.db2.gz BMWIERFFYFWZIX-HBNTYKKESA-N 2 0 198.354 2.281 20 0 AEADRP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)[NH3+] 643461738 352955682 /nfs/dbraw/zinc/95/56/82/352955682.db2.gz DPESXNBAOPSIOZ-NXEZZACHSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)CCC[NH2+][C@H](C)C[C@H](C)[NH3+] 643458472 352955725 /nfs/dbraw/zinc/95/57/25/352955725.db2.gz NYCDPPXKKQKJPS-WDEREUQCSA-N 2 0 186.343 2.138 20 0 AEADRP CCC1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCC1 643461091 352955732 /nfs/dbraw/zinc/95/57/32/352955732.db2.gz QJOHDWJHNAQCLU-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CCCC1(C)C 643460419 352955746 /nfs/dbraw/zinc/95/57/46/352955746.db2.gz BMWIERFFYFWZIX-AXFHLTTASA-N 2 0 198.354 2.281 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCC1(C)C 643460420 352955751 /nfs/dbraw/zinc/95/57/51/352955751.db2.gz BMWIERFFYFWZIX-DCAQKATOSA-N 2 0 198.354 2.281 20 0 AEADRP CCC1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCC1 643461090 352955772 /nfs/dbraw/zinc/95/57/72/352955772.db2.gz QJOHDWJHNAQCLU-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC1(C)C 643460421 352955792 /nfs/dbraw/zinc/95/57/92/352955792.db2.gz BMWIERFFYFWZIX-GARJFASQSA-N 2 0 198.354 2.281 20 0 AEADRP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643461741 352955809 /nfs/dbraw/zinc/95/58/09/352955809.db2.gz DPESXNBAOPSIOZ-ZJUUUORDSA-N 2 0 186.343 2.138 20 0 AEADRP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 643461739 352955828 /nfs/dbraw/zinc/95/58/28/352955828.db2.gz DPESXNBAOPSIOZ-UWVGGRQHSA-N 2 0 186.343 2.138 20 0 AEADRP CCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCC1 643461030 352955842 /nfs/dbraw/zinc/95/58/42/352955842.db2.gz BEIXWILRRKVKEY-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 643465535 352955997 /nfs/dbraw/zinc/95/59/97/352955997.db2.gz GDNAWSGOPYDMHR-DCAQKATOSA-N 2 0 198.354 2.009 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643463613 352956075 /nfs/dbraw/zinc/95/60/75/352956075.db2.gz OUFRRNYXAKNYLP-IRCOFANPSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 643465537 352956127 /nfs/dbraw/zinc/95/61/27/352956127.db2.gz GDNAWSGOPYDMHR-HBNTYKKESA-N 2 0 198.354 2.009 20 0 AEADRP C[C@@H]([NH2+]CCCC(C)(C)C)C1C[NH2+]C1 643465281 352956189 /nfs/dbraw/zinc/95/61/89/352956189.db2.gz BEPHTAQMMGBXIO-SNVBAGLBSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H]1[NH3+] 643465304 352956216 /nfs/dbraw/zinc/95/62/16/352956216.db2.gz MFVJYWKVNHHTIW-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1[NH3+] 643465302 352956305 /nfs/dbraw/zinc/95/63/05/352956305.db2.gz MFVJYWKVNHHTIW-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] 643461903 352956399 /nfs/dbraw/zinc/95/63/99/352956399.db2.gz IJWFQOACPIFDCB-KKOKHZNYSA-N 2 0 198.354 2.281 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 643463614 352956472 /nfs/dbraw/zinc/95/64/72/352956472.db2.gz OUFRRNYXAKNYLP-QCNOEVLYSA-N 2 0 198.354 2.151 20 0 AEADRP C[C@H]([NH2+]CCCC(C)(C)C)C1C[NH2+]C1 643465280 352956599 /nfs/dbraw/zinc/95/65/99/352956599.db2.gz BEPHTAQMMGBXIO-JTQLQIEISA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] 643461906 352956528 /nfs/dbraw/zinc/95/65/28/352956528.db2.gz IJWFQOACPIFDCB-YFKTTZPYSA-N 2 0 198.354 2.281 20 0 AEADRP CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] 643465305 352956549 /nfs/dbraw/zinc/95/65/49/352956549.db2.gz MFVJYWKVNHHTIW-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 643463616 352956555 /nfs/dbraw/zinc/95/65/55/352956555.db2.gz OUFRRNYXAKNYLP-WHOHXGKFSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643461904 352956612 /nfs/dbraw/zinc/95/66/12/352956612.db2.gz IJWFQOACPIFDCB-KXNHARMFSA-N 2 0 198.354 2.281 20 0 AEADRP CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 643465534 352956638 /nfs/dbraw/zinc/95/66/38/352956638.db2.gz GDNAWSGOPYDMHR-AXFHLTTASA-N 2 0 198.354 2.009 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 643463615 352956645 /nfs/dbraw/zinc/95/66/45/352956645.db2.gz OUFRRNYXAKNYLP-USZNOCQGSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] 643461905 352956664 /nfs/dbraw/zinc/95/66/64/352956664.db2.gz IJWFQOACPIFDCB-QCNOEVLYSA-N 2 0 198.354 2.281 20 0 AEADRP CC(C)(C)CCC[NH2+][C@H]1CCC[C@H]1[NH3+] 643465303 352956700 /nfs/dbraw/zinc/95/67/00/352956700.db2.gz MFVJYWKVNHHTIW-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H](C)C[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 643465536 352956735 /nfs/dbraw/zinc/95/67/35/352956735.db2.gz GDNAWSGOPYDMHR-GARJFASQSA-N 2 0 198.354 2.009 20 0 AEADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC1CC1 643465729 352956974 /nfs/dbraw/zinc/95/69/74/352956974.db2.gz MVSRAEAWAFGPQZ-VXGBXAGGSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 643467239 352956981 /nfs/dbraw/zinc/95/69/81/352956981.db2.gz OQSYDFHHGRIVAO-ZMLRMANQSA-N 2 0 196.338 2.035 20 0 AEADRP CCCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 643467058 352957015 /nfs/dbraw/zinc/95/70/15/352957015.db2.gz WRMQXKTZEHTVQN-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CC1 643467238 352957034 /nfs/dbraw/zinc/95/70/34/352957034.db2.gz OQSYDFHHGRIVAO-WCQGTBRESA-N 2 0 196.338 2.035 20 0 AEADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCC1CC1 643465728 352957076 /nfs/dbraw/zinc/95/70/76/352957076.db2.gz MVSRAEAWAFGPQZ-RYUDHWBXSA-N 2 0 196.338 2.036 20 0 AEADRP CCCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 643467061 352957132 /nfs/dbraw/zinc/95/71/32/352957132.db2.gz WRMQXKTZEHTVQN-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 643467059 352957282 /nfs/dbraw/zinc/95/72/82/352957282.db2.gz WRMQXKTZEHTVQN-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CC1 643467237 352957313 /nfs/dbraw/zinc/95/73/13/352957313.db2.gz OQSYDFHHGRIVAO-MVWJERBFSA-N 2 0 196.338 2.035 20 0 AEADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCC1CC1 643465727 352957366 /nfs/dbraw/zinc/95/73/66/352957366.db2.gz MVSRAEAWAFGPQZ-NWDGAFQWSA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)C1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 643466313 352957373 /nfs/dbraw/zinc/95/73/73/352957373.db2.gz ZNAAJVDDPJGFOV-MNOVXSKESA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)C1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 643466315 352957382 /nfs/dbraw/zinc/95/73/82/352957382.db2.gz ZNAAJVDDPJGFOV-WDEREUQCSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CC1 643467236 352957442 /nfs/dbraw/zinc/95/74/42/352957442.db2.gz OQSYDFHHGRIVAO-DLOVCJGASA-N 2 0 196.338 2.035 20 0 AEADRP CC(C)C1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 643466312 352957459 /nfs/dbraw/zinc/95/74/59/352957459.db2.gz ZNAAJVDDPJGFOV-GHMZBOCLSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 643467060 352957471 /nfs/dbraw/zinc/95/74/71/352957471.db2.gz WRMQXKTZEHTVQN-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)C1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 643466314 352957535 /nfs/dbraw/zinc/95/75/35/352957535.db2.gz ZNAAJVDDPJGFOV-QWRGUYRKSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+][C@H]1CC[C@H](C)CC1 643469022 352957834 /nfs/dbraw/zinc/95/78/34/352957834.db2.gz CHQYOGPXAUHARA-WISYIIOYSA-N 2 0 198.354 2.281 20 0 AEADRP CCC[C@@H](CC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 643468669 352957885 /nfs/dbraw/zinc/95/78/85/352957885.db2.gz HFHPFOOQSRMMCU-TUAOUCFPSA-N 2 0 198.354 2.295 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 643469023 352957890 /nfs/dbraw/zinc/95/78/90/352957890.db2.gz CHQYOGPXAUHARA-YFKTTZPYSA-N 2 0 198.354 2.281 20 0 AEADRP CCC[C@@H](CC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643468667 352957895 /nfs/dbraw/zinc/95/78/95/352957895.db2.gz HFHPFOOQSRMMCU-IJLUTSLNSA-N 2 0 198.354 2.295 20 0 AEADRP CCC[C@@H](CC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 643468670 352957921 /nfs/dbraw/zinc/95/79/21/352957921.db2.gz HFHPFOOQSRMMCU-UTUOFQBUSA-N 2 0 198.354 2.295 20 0 AEADRP CCC[C@@H](CC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 643468668 352957947 /nfs/dbraw/zinc/95/79/47/352957947.db2.gz HFHPFOOQSRMMCU-QJPTWQEYSA-N 2 0 198.354 2.295 20 0 AEADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CCC(C)(C)C 643467393 352958010 /nfs/dbraw/zinc/95/80/10/352958010.db2.gz UAPXNRKKZCJFNV-ZJUUUORDSA-N 2 0 186.343 2.138 20 0 AEADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(C)CCCC1 643469044 352958023 /nfs/dbraw/zinc/95/80/23/352958023.db2.gz JNSIGXINVMOVLA-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CC1(C)CCCC1 643469045 352958049 /nfs/dbraw/zinc/95/80/49/352958049.db2.gz JNSIGXINVMOVLA-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@H](CC)[NH2+][C@H](C)C[C@H](C)[NH3+] 643468659 352958055 /nfs/dbraw/zinc/95/80/55/352958055.db2.gz BOOGNTFXAWLHFS-AXFHLTTASA-N 2 0 186.343 2.281 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]CC1(C)CCCC1 643469047 352958060 /nfs/dbraw/zinc/95/80/60/352958060.db2.gz JNSIGXINVMOVLA-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(C)CCCC1 643469046 352958117 /nfs/dbraw/zinc/95/81/17/352958117.db2.gz JNSIGXINVMOVLA-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@H](CC)[NH2+][C@@H](C)C[C@H](C)[NH3+] 643468660 352958155 /nfs/dbraw/zinc/95/81/55/352958155.db2.gz BOOGNTFXAWLHFS-DCAQKATOSA-N 2 0 186.343 2.281 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]CCC(C)(C)C 643467392 352958234 /nfs/dbraw/zinc/95/82/34/352958234.db2.gz UAPXNRKKZCJFNV-VHSXEESVSA-N 2 0 186.343 2.138 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC(C)(C)C 643467391 352958261 /nfs/dbraw/zinc/95/82/61/352958261.db2.gz UAPXNRKKZCJFNV-UWVGGRQHSA-N 2 0 186.343 2.138 20 0 AEADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC(C)(C)C 643467390 352958271 /nfs/dbraw/zinc/95/82/71/352958271.db2.gz UAPXNRKKZCJFNV-NXEZZACHSA-N 2 0 186.343 2.138 20 0 AEADRP CCC[C@H](CC)[NH2+][C@H](C)C[C@@H](C)[NH3+] 643468661 352958275 /nfs/dbraw/zinc/95/82/75/352958275.db2.gz BOOGNTFXAWLHFS-MXWKQRLJSA-N 2 0 186.343 2.281 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 643472202 352959975 /nfs/dbraw/zinc/95/99/75/352959975.db2.gz HGVQKBWFADGXEA-QJPTWQEYSA-N 2 0 196.338 2.058 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@H]1CC=CCC1 643472205 352959922 /nfs/dbraw/zinc/95/99/22/352959922.db2.gz HGVQKBWFADGXEA-TUAOUCFPSA-N 2 0 196.338 2.058 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC=CCC1 643472203 352960016 /nfs/dbraw/zinc/96/00/16/352960016.db2.gz HGVQKBWFADGXEA-SDDRHHMPSA-N 2 0 196.338 2.058 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC=CCC1 643472204 352960102 /nfs/dbraw/zinc/96/01/02/352960102.db2.gz HGVQKBWFADGXEA-SRVKXCTJSA-N 2 0 196.338 2.058 20 0 AEADRP CC1(C)C[C@@H]1[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643478377 352960603 /nfs/dbraw/zinc/96/06/03/352960603.db2.gz NHULGSURARJEGW-MXWKQRLJSA-N 2 0 196.338 2.035 20 0 AEADRP CC(C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 643475937 352960700 /nfs/dbraw/zinc/96/07/00/352960700.db2.gz YCWORTMTIQBZGI-UTUOFQBUSA-N 2 0 198.354 2.151 20 0 AEADRP CC1(C)C[C@@H]1[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643478378 352960725 /nfs/dbraw/zinc/96/07/25/352960725.db2.gz NHULGSURARJEGW-VWYCJHECSA-N 2 0 196.338 2.035 20 0 AEADRP CC(C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 643475938 352960777 /nfs/dbraw/zinc/96/07/77/352960777.db2.gz YCWORTMTIQBZGI-WOPDTQHZSA-N 2 0 198.354 2.151 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccoc1 643474769 352960802 /nfs/dbraw/zinc/96/08/02/352960802.db2.gz HIKYLJFCTVFFKX-NXEZZACHSA-N 2 0 196.294 2.058 20 0 AEADRP CC(C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 643475933 352960812 /nfs/dbraw/zinc/96/08/12/352960812.db2.gz YCWORTMTIQBZGI-GRYCIOLGSA-N 2 0 198.354 2.151 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccoc1 643474770 352960825 /nfs/dbraw/zinc/96/08/25/352960825.db2.gz HIKYLJFCTVFFKX-UWVGGRQHSA-N 2 0 196.294 2.058 20 0 AEADRP CC1(C)C[C@@H]1[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643478376 352960838 /nfs/dbraw/zinc/96/08/38/352960838.db2.gz NHULGSURARJEGW-DCAQKATOSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccoc1 643474772 352960911 /nfs/dbraw/zinc/96/09/11/352960911.db2.gz HIKYLJFCTVFFKX-ZJUUUORDSA-N 2 0 196.294 2.058 20 0 AEADRP CC(C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643475936 352960943 /nfs/dbraw/zinc/96/09/43/352960943.db2.gz YCWORTMTIQBZGI-IJLUTSLNSA-N 2 0 198.354 2.151 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccoc1 643474771 352960969 /nfs/dbraw/zinc/96/09/69/352960969.db2.gz HIKYLJFCTVFFKX-VHSXEESVSA-N 2 0 196.294 2.058 20 0 AEADRP CC1(C)C[C@@H]1[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643478375 352960979 /nfs/dbraw/zinc/96/09/79/352960979.db2.gz NHULGSURARJEGW-AXFHLTTASA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](C)CCC1CC1 643481914 352961746 /nfs/dbraw/zinc/96/17/46/352961746.db2.gz ZAKLHEAHMICVAK-AXFHLTTASA-N 2 0 198.354 2.281 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]CC1CC(C)(C)C1 643483107 352961774 /nfs/dbraw/zinc/96/17/74/352961774.db2.gz CRMNAZNHRXWZPC-VHSXEESVSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)CCC1CC1 643481916 352961816 /nfs/dbraw/zinc/96/18/16/352961816.db2.gz ZAKLHEAHMICVAK-GARJFASQSA-N 2 0 198.354 2.281 20 0 AEADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CC1CC(C)(C)C1 643483108 352961840 /nfs/dbraw/zinc/96/18/40/352961840.db2.gz CRMNAZNHRXWZPC-ZJUUUORDSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CC(C)(C)C1 643483106 352961885 /nfs/dbraw/zinc/96/18/85/352961885.db2.gz CRMNAZNHRXWZPC-UWVGGRQHSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@H](C)CCC1CC1 643481917 352961889 /nfs/dbraw/zinc/96/18/89/352961889.db2.gz ZAKLHEAHMICVAK-HBNTYKKESA-N 2 0 198.354 2.281 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)CCC1CC1 643481915 352962003 /nfs/dbraw/zinc/96/20/03/352962003.db2.gz ZAKLHEAHMICVAK-DCAQKATOSA-N 2 0 198.354 2.281 20 0 AEADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CC(C)(C)C1 643483105 352962032 /nfs/dbraw/zinc/96/20/32/352962032.db2.gz CRMNAZNHRXWZPC-NXEZZACHSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)=CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] 643484494 352962518 /nfs/dbraw/zinc/96/25/18/352962518.db2.gz GAVWWVTYCZWXGD-QWRGUYRKSA-N 2 0 184.327 2.058 20 0 AEADRP CCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643485178 352962655 /nfs/dbraw/zinc/96/26/55/352962655.db2.gz OMHLTWORMYYWOU-ZJUUUORDSA-N 2 0 186.343 2.138 20 0 AEADRP CCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 643485176 352962688 /nfs/dbraw/zinc/96/26/88/352962688.db2.gz OMHLTWORMYYWOU-UWVGGRQHSA-N 2 0 186.343 2.138 20 0 AEADRP CCC(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+] 643485177 352962707 /nfs/dbraw/zinc/96/27/07/352962707.db2.gz OMHLTWORMYYWOU-VHSXEESVSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)=CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] 643484492 352962783 /nfs/dbraw/zinc/96/27/83/352962783.db2.gz GAVWWVTYCZWXGD-GHMZBOCLSA-N 2 0 184.327 2.058 20 0 AEADRP CC(C)=CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643484493 352962866 /nfs/dbraw/zinc/96/28/66/352962866.db2.gz GAVWWVTYCZWXGD-MNOVXSKESA-N 2 0 184.327 2.058 20 0 AEADRP CC(C)=CCC[NH2+][C@H](C)C[C@H](C)[NH3+] 643484495 352962908 /nfs/dbraw/zinc/96/29/08/352962908.db2.gz GAVWWVTYCZWXGD-WDEREUQCSA-N 2 0 184.327 2.058 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]CCC1(C)CC1 643486517 352963374 /nfs/dbraw/zinc/96/33/74/352963374.db2.gz UNRVQKUICLUMDR-LLVKDONJSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)C1 643487022 352963386 /nfs/dbraw/zinc/96/33/86/352963386.db2.gz WRZVHVVCRDCJFD-RHYQMDGZSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC[C@H]1C 643487873 352963488 /nfs/dbraw/zinc/96/34/88/352963488.db2.gz SZWKXPCKVWDQBH-NOOOWODRSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1C 643487871 352963536 /nfs/dbraw/zinc/96/35/36/352963536.db2.gz SZWKXPCKVWDQBH-BJDJZHNGSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]CCC1(C)CC1 643486518 352963569 /nfs/dbraw/zinc/96/35/69/352963569.db2.gz UNRVQKUICLUMDR-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1C 643487874 352963591 /nfs/dbraw/zinc/96/35/91/352963591.db2.gz SZWKXPCKVWDQBH-RHYQMDGZSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)C1 643487020 352963651 /nfs/dbraw/zinc/96/36/51/352963651.db2.gz WRZVHVVCRDCJFD-FIQHERPVSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@H](C)C1 643487019 352963654 /nfs/dbraw/zinc/96/36/54/352963654.db2.gz WRZVHVVCRDCJFD-BJDJZHNGSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)C1([NH2+][C@@H](C)CCCC[NH3+])CC1 643490973 352964296 /nfs/dbraw/zinc/96/42/96/352964296.db2.gz FJCKZTKSZAQKNI-NSHDSACASA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)C1([NH2+][C@H](C)CCCC[NH3+])CC1 643490972 352964687 /nfs/dbraw/zinc/96/46/87/352964687.db2.gz FJCKZTKSZAQKNI-LLVKDONJSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 643492022 352965175 /nfs/dbraw/zinc/96/51/75/352965175.db2.gz JVOXRXOYIYFBAL-NEPJUHHUSA-N 2 0 196.338 2.073 20 0 AEADRP C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CC1 643492066 352965230 /nfs/dbraw/zinc/96/52/30/352965230.db2.gz OQSYDFHHGRIVAO-USWWRNFRSA-N 2 0 196.338 2.035 20 0 AEADRP CCC1([NH2+]C2CCC(C[NH3+])CC2)CC1 643491946 352965301 /nfs/dbraw/zinc/96/53/01/352965301.db2.gz QIVGDISBXZOCBH-UHFFFAOYSA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 643492027 352965308 /nfs/dbraw/zinc/96/53/08/352965308.db2.gz JVOXRXOYIYFBAL-RYUDHWBXSA-N 2 0 196.338 2.073 20 0 AEADRP C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 643492061 352965322 /nfs/dbraw/zinc/96/53/22/352965322.db2.gz OQSYDFHHGRIVAO-ADEWGFFLSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CC1=CCCCC1 643491476 352965440 /nfs/dbraw/zinc/96/54/40/352965440.db2.gz GKWAYTNJCCNREP-MNOVXSKESA-N 2 0 196.338 2.202 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1=CCCCC1 643491477 352965450 /nfs/dbraw/zinc/96/54/50/352965450.db2.gz GKWAYTNJCCNREP-QWRGUYRKSA-N 2 0 196.338 2.202 20 0 AEADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1=CCCCC1 643491475 352965495 /nfs/dbraw/zinc/96/54/95/352965495.db2.gz GKWAYTNJCCNREP-GHMZBOCLSA-N 2 0 196.338 2.202 20 0 AEADRP CCC1([NH2+][C@H](C)CCCC[NH3+])CC1 643491964 352965549 /nfs/dbraw/zinc/96/55/49/352965549.db2.gz RUTBTRYRBLHZCS-SNVBAGLBSA-N 2 0 184.327 2.036 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]CC1=CCCCC1 643491478 352965613 /nfs/dbraw/zinc/96/56/13/352965613.db2.gz GKWAYTNJCCNREP-WDEREUQCSA-N 2 0 196.338 2.202 20 0 AEADRP CCC1([NH2+][C@@H](C)CCCC[NH3+])CC1 643491963 352965637 /nfs/dbraw/zinc/96/56/37/352965637.db2.gz RUTBTRYRBLHZCS-JTQLQIEISA-N 2 0 184.327 2.036 20 0 AEADRP C[C@@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CC1 643492065 352965639 /nfs/dbraw/zinc/96/56/39/352965639.db2.gz OQSYDFHHGRIVAO-JLLWLGSASA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CC1 643492068 352965651 /nfs/dbraw/zinc/96/56/51/352965651.db2.gz OQSYDFHHGRIVAO-YUSALJHKSA-N 2 0 196.338 2.035 20 0 AEADRP CCC[C@H]([NH2+][C@H]1CC[NH2+]C1)C(C)(C)C 643492405 352966434 /nfs/dbraw/zinc/96/64/34/352966434.db2.gz NCTXADHGWOQJPV-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C(C)(C)C 643492406 352966450 /nfs/dbraw/zinc/96/64/50/352966450.db2.gz NCTXADHGWOQJPV-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)(C)C 643492403 352966533 /nfs/dbraw/zinc/96/65/33/352966533.db2.gz NCTXADHGWOQJPV-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)(C)C 643492404 352966640 /nfs/dbraw/zinc/96/66/40/352966640.db2.gz NCTXADHGWOQJPV-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+][C@H](C)C1C[NH2+]C1 643493960 352967890 /nfs/dbraw/zinc/96/78/90/352967890.db2.gz RYGYLTHJBQFJSF-NXEZZACHSA-N 2 0 198.354 2.009 20 0 AEADRP C[C@@H](CC(C)(C)C)[NH2+][C@H](C)C1C[NH2+]C1 643493962 352967931 /nfs/dbraw/zinc/96/79/31/352967931.db2.gz RYGYLTHJBQFJSF-VHSXEESVSA-N 2 0 198.354 2.009 20 0 AEADRP C[C@H]([NH2+][C@H](C)CC(C)(C)C)C1C[NH2+]C1 643493963 352967943 /nfs/dbraw/zinc/96/79/43/352967943.db2.gz RYGYLTHJBQFJSF-ZJUUUORDSA-N 2 0 198.354 2.009 20 0 AEADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643494441 352968105 /nfs/dbraw/zinc/96/81/05/352968105.db2.gz ACQCYXCYOPPECQ-WRWGMCAJSA-N 2 0 198.354 2.136 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@H]1[NH3+] 643493918 352968188 /nfs/dbraw/zinc/96/81/88/352968188.db2.gz KZRBCFJAFOTSME-MXWKQRLJSA-N 2 0 198.354 2.281 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@@H]1[NH3+] 643493920 352968357 /nfs/dbraw/zinc/96/83/57/352968357.db2.gz KZRBCFJAFOTSME-VWYCJHECSA-N 2 0 198.354 2.281 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1[NH3+] 643493917 352968294 /nfs/dbraw/zinc/96/82/94/352968294.db2.gz KZRBCFJAFOTSME-GMTAPVOTSA-N 2 0 198.354 2.281 20 0 AEADRP C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)C1C[NH2+]C1 643493961 352968301 /nfs/dbraw/zinc/96/83/01/352968301.db2.gz RYGYLTHJBQFJSF-UWVGGRQHSA-N 2 0 198.354 2.009 20 0 AEADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] 643494439 352968308 /nfs/dbraw/zinc/96/83/08/352968308.db2.gz ACQCYXCYOPPECQ-IRCOFANPSA-N 2 0 198.354 2.136 20 0 AEADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] 643494438 352968531 /nfs/dbraw/zinc/96/85/31/352968531.db2.gz ACQCYXCYOPPECQ-DDHJBXDOSA-N 2 0 198.354 2.136 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] 643493919 352968576 /nfs/dbraw/zinc/96/85/76/352968576.db2.gz KZRBCFJAFOTSME-OUAUKWLOSA-N 2 0 198.354 2.281 20 0 AEADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] 643494440 352968627 /nfs/dbraw/zinc/96/86/27/352968627.db2.gz ACQCYXCYOPPECQ-NNYUYHANSA-N 2 0 198.354 2.136 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH2+]CC1 643496256 352970173 /nfs/dbraw/zinc/97/01/73/352970173.db2.gz GVZACCLAUHNFPE-SNVBAGLBSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH2+]CC1 643496255 352970239 /nfs/dbraw/zinc/97/02/39/352970239.db2.gz GVZACCLAUHNFPE-JTQLQIEISA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 643498353 352970946 /nfs/dbraw/zinc/97/09/46/352970946.db2.gz BAKLFTZNALVSIL-GDNZZTSVSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+]C1[C@@H](C)CCC[C@@H]1C 643498355 352971008 /nfs/dbraw/zinc/97/10/08/352971008.db2.gz BAKLFTZNALVSIL-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+]C1[C@H](C)CCC[C@H]1C 643498354 352971120 /nfs/dbraw/zinc/97/11/20/352971120.db2.gz BAKLFTZNALVSIL-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@H]([NH2+]CCC[NH2+]C)C1CCC1 643498607 352972000 /nfs/dbraw/zinc/97/20/00/352972000.db2.gz LBYFTEUGSKMHHX-LBPRGKRZSA-N 2 0 198.354 2.154 20 0 AEADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCC[NH2+]C 643498490 352972037 /nfs/dbraw/zinc/97/20/37/352972037.db2.gz JQAJYRHZAISRAD-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CCCC(C)(C)C1 643498484 352972051 /nfs/dbraw/zinc/97/20/51/352972051.db2.gz IYDDVSSCQLFGJM-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C 643498598 352972100 /nfs/dbraw/zinc/97/21/00/352972100.db2.gz JGFHSVMRSWEYTD-QJPTWQEYSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 643498526 352972143 /nfs/dbraw/zinc/97/21/43/352972143.db2.gz QPTXPDHINOPFJB-WDEREUQCSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C 643498523 352972154 /nfs/dbraw/zinc/97/21/54/352972154.db2.gz QPTXPDHINOPFJB-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C 643498599 352972170 /nfs/dbraw/zinc/97/21/70/352972170.db2.gz JGFHSVMRSWEYTD-SDDRHHMPSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@H]1CC(C)(C)C[C@H]1C 643498524 352972196 /nfs/dbraw/zinc/97/21/96/352972196.db2.gz QPTXPDHINOPFJB-MNOVXSKESA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 643498597 352972206 /nfs/dbraw/zinc/97/22/06/352972206.db2.gz JGFHSVMRSWEYTD-IJLUTSLNSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]CCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C 643498525 352972333 /nfs/dbraw/zinc/97/23/33/352972333.db2.gz QPTXPDHINOPFJB-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[NH2+]C 643498491 352972313 /nfs/dbraw/zinc/97/23/13/352972313.db2.gz JQAJYRHZAISRAD-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+]CCC[NH2+][C@H]1CCCC(C)(C)C1 643498485 352972362 /nfs/dbraw/zinc/97/23/62/352972362.db2.gz IYDDVSSCQLFGJM-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H](C(C)C)C1CC1 643499108 352972769 /nfs/dbraw/zinc/97/27/69/352972769.db2.gz UZSGCPCIAPDTRR-LBPRGKRZSA-N 2 0 198.354 2.010 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]1C 643498811 352972775 /nfs/dbraw/zinc/97/27/75/352972775.db2.gz CEBYFHYAZXFWTC-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H]1CCCC[C@@H]1C 643498812 352972793 /nfs/dbraw/zinc/97/27/93/352972793.db2.gz CEBYFHYAZXFWTC-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]1C 643498813 352972828 /nfs/dbraw/zinc/97/28/28/352972828.db2.gz CEBYFHYAZXFWTC-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H]1CCCC1(C)C 643498913 352972852 /nfs/dbraw/zinc/97/28/52/352972852.db2.gz VSRSARITYHYZTR-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CCC[C@H](CC)[NH2+]CCC[NH2+]CC 643499058 352972858 /nfs/dbraw/zinc/97/28/58/352972858.db2.gz PSOBHKZGHPIJDG-NSHDSACASA-N 2 0 186.343 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1CC 643499088 352972869 /nfs/dbraw/zinc/97/28/69/352972869.db2.gz SIXSRVYRHKTTNN-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H](C(C)C)C1CC1 643499107 352972908 /nfs/dbraw/zinc/97/29/08/352972908.db2.gz UZSGCPCIAPDTRR-GFCCVEGCSA-N 2 0 198.354 2.010 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H](C)C1CCCC1 643498851 352972933 /nfs/dbraw/zinc/97/29/33/352972933.db2.gz LVBWZBWHHVOIRJ-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H](C)C1CCCC1 643498852 352972945 /nfs/dbraw/zinc/97/29/45/352972945.db2.gz LVBWZBWHHVOIRJ-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H]1CCCC[C@H]1C 643498810 352972948 /nfs/dbraw/zinc/97/29/48/352972948.db2.gz CEBYFHYAZXFWTC-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H](CC)C(C)C 643498733 352972955 /nfs/dbraw/zinc/97/29/55/352972955.db2.gz MQFOFLIRDFKIIR-LLVKDONJSA-N 2 0 186.343 2.010 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H](C)CC1CCC1 643498884 352972963 /nfs/dbraw/zinc/97/29/63/352972963.db2.gz QRQSFQVTUVWYKB-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1CC 643499090 352972977 /nfs/dbraw/zinc/97/29/77/352972977.db2.gz SIXSRVYRHKTTNN-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+]CCC[NH2+]C 643498638 352972996 /nfs/dbraw/zinc/97/29/96/352972996.db2.gz PENSAXIHTCKLFI-JTQLQIEISA-N 2 0 186.343 2.010 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H](C)C(C)(C)C 643498940 352973002 /nfs/dbraw/zinc/97/30/02/352973002.db2.gz YJKPXRDDRYVFAV-SNVBAGLBSA-N 2 0 186.343 2.010 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H](C)CC1CCC1 643498883 352973030 /nfs/dbraw/zinc/97/30/30/352973030.db2.gz QRQSFQVTUVWYKB-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@H]1CC 643499087 352973035 /nfs/dbraw/zinc/97/30/35/352973035.db2.gz SIXSRVYRHKTTNN-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H]1CCCC1(C)C 643498912 352973079 /nfs/dbraw/zinc/97/30/79/352973079.db2.gz VSRSARITYHYZTR-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H](C)C1 643498905 352973093 /nfs/dbraw/zinc/97/30/93/352973093.db2.gz UVIWCAUXOQGFAT-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+]CCC[NH2+]C 643498639 352973109 /nfs/dbraw/zinc/97/31/09/352973109.db2.gz PENSAXIHTCKLFI-SNVBAGLBSA-N 2 0 186.343 2.010 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H](C)C(C)(C)C 643498939 352973123 /nfs/dbraw/zinc/97/31/23/352973123.db2.gz YJKPXRDDRYVFAV-JTQLQIEISA-N 2 0 186.343 2.010 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H](C)C1 643498903 352973131 /nfs/dbraw/zinc/97/31/31/352973131.db2.gz UVIWCAUXOQGFAT-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[C@@H](CC)[NH2+]CCC[NH2+]CC 643499057 352973138 /nfs/dbraw/zinc/97/31/38/352973138.db2.gz PSOBHKZGHPIJDG-LLVKDONJSA-N 2 0 186.343 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H](CC)C(C)C 643498734 352973174 /nfs/dbraw/zinc/97/31/74/352973174.db2.gz MQFOFLIRDFKIIR-NSHDSACASA-N 2 0 186.343 2.010 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@H](C)C1 643498904 352973230 /nfs/dbraw/zinc/97/32/30/352973230.db2.gz UVIWCAUXOQGFAT-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@@H](C)C1 643498902 352973279 /nfs/dbraw/zinc/97/32/79/352973279.db2.gz UVIWCAUXOQGFAT-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H](CC)[C@@H]1C[C@H]1C 643499280 352973701 /nfs/dbraw/zinc/97/37/01/352973701.db2.gz VKULZLYSGLWKKH-IJLUTSLNSA-N 2 0 198.354 2.010 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C 643499281 352973757 /nfs/dbraw/zinc/97/37/57/352973757.db2.gz VKULZLYSGLWKKH-QJPTWQEYSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CC[NH2+]C1 643499801 352973976 /nfs/dbraw/zinc/97/39/76/352973976.db2.gz PQJBMHGDQGCODL-SDDRHHMPSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[NH2+]C1 643499802 352973997 /nfs/dbraw/zinc/97/39/97/352973997.db2.gz PQJBMHGDQGCODL-SRVKXCTJSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H](CC)[C@H]1C[C@H]1C 643499279 352974036 /nfs/dbraw/zinc/97/40/36/352974036.db2.gz VKULZLYSGLWKKH-GRYCIOLGSA-N 2 0 198.354 2.010 20 0 AEADRP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C1 643499677 352974050 /nfs/dbraw/zinc/97/40/50/352974050.db2.gz 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AEADRP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 643506386 352979727 /nfs/dbraw/zinc/97/97/27/352979727.db2.gz UQMBDPSZEYTZDE-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 643506385 352979812 /nfs/dbraw/zinc/97/98/12/352979812.db2.gz UQMBDPSZEYTZDE-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](C)[NH2+]CCC[NH2+]C(C)C 643508028 352980183 /nfs/dbraw/zinc/98/01/83/352980183.db2.gz AUTQCZNJEIXDKF-NSHDSACASA-N 2 0 186.343 2.153 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCC[C@H]1C 643508088 352980223 /nfs/dbraw/zinc/98/02/23/352980223.db2.gz IZEYJBIEGSAUAB-NEPJUHHUSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+]CCC[NH2+]C(C)C 643508513 352980842 /nfs/dbraw/zinc/98/08/42/352980842.db2.gz WNXQGZAODGSADE-NEPJUHHUSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C(C)C 643509146 352980515 /nfs/dbraw/zinc/98/05/15/352980515.db2.gz WJPXADJCXJPXKK-NWDGAFQWSA-N 2 0 198.354 2.010 20 0 AEADRP 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643508170 352980786 /nfs/dbraw/zinc/98/07/86/352980786.db2.gz QBOHWIFJIBCNOF-LLVKDONJSA-N 2 0 186.343 2.009 20 0 AEADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C(C)C 643509148 352980839 /nfs/dbraw/zinc/98/08/39/352980839.db2.gz WJPXADJCXJPXKK-VXGBXAGGSA-N 2 0 198.354 2.010 20 0 AEADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C(C)(C)C 643509220 352980854 /nfs/dbraw/zinc/98/08/54/352980854.db2.gz JIYPRDQRMCMAPN-MNOVXSKESA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H]1CC[C@@H]1[NH2+]CCC[NH2+]C(C)C 643508515 352980877 /nfs/dbraw/zinc/98/08/77/352980877.db2.gz WNXQGZAODGSADE-RYUDHWBXSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1C 643508089 352980984 /nfs/dbraw/zinc/98/09/84/352980984.db2.gz IZEYJBIEGSAUAB-NWDGAFQWSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC1CC1 643508380 352980992 /nfs/dbraw/zinc/98/09/92/352980992.db2.gz XOIXXDFZKNWKGM-LLVKDONJSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)C(C)C 643508171 352981007 /nfs/dbraw/zinc/98/10/07/352981007.db2.gz QBOHWIFJIBCNOF-NSHDSACASA-N 2 0 186.343 2.009 20 0 AEADRP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)C1CC1 643508323 352981026 /nfs/dbraw/zinc/98/10/26/352981026.db2.gz LJPCIPFQKQGEGS-GFCCVEGCSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H]1CC[C@H]1[NH2+]CCC[NH2+]C(C)C 643508514 352981100 /nfs/dbraw/zinc/98/11/00/352981100.db2.gz WNXQGZAODGSADE-NWDGAFQWSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC1CC1 643508381 352981112 /nfs/dbraw/zinc/98/11/12/352981112.db2.gz XOIXXDFZKNWKGM-NSHDSACASA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CC[C@H]1[NH2+]CCC[NH2+]C(C)C 643508516 352981123 /nfs/dbraw/zinc/98/11/23/352981123.db2.gz WNXQGZAODGSADE-VXGBXAGGSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H]([NH2+]CCC[NH2+]C(C)C)C1CC1 643508324 352981151 /nfs/dbraw/zinc/98/11/51/352981151.db2.gz LJPCIPFQKQGEGS-LBPRGKRZSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1C 643508091 352981202 /nfs/dbraw/zinc/98/12/02/352981202.db2.gz IZEYJBIEGSAUAB-VXGBXAGGSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)C1CCCC1 643511577 352982439 /nfs/dbraw/zinc/98/24/39/352982439.db2.gz CVVWVZVMJZSTRH-JQWIXIFHSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]([NH3+])C(C)C 643511823 352982558 /nfs/dbraw/zinc/98/25/58/352982558.db2.gz RLZUKFDWBIOCJH-WOPDTQHZSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]([NH3+])C(C)C 643511820 352982575 /nfs/dbraw/zinc/98/25/75/352982575.db2.gz RLZUKFDWBIOCJH-GRYCIOLGSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)C1CCCC1 643511578 352982753 /nfs/dbraw/zinc/98/27/53/352982753.db2.gz CVVWVZVMJZSTRH-PWSUYJOCSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]([NH3+])C(C)C 643511821 352982804 /nfs/dbraw/zinc/98/28/04/352982804.db2.gz RLZUKFDWBIOCJH-IJLUTSLNSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)C1CCCC1 643511576 352982842 /nfs/dbraw/zinc/98/28/42/352982842.db2.gz CVVWVZVMJZSTRH-CMPLNLGQSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)C1CCCC1 643511579 352982917 /nfs/dbraw/zinc/98/29/17/352982917.db2.gz CVVWVZVMJZSTRH-ZYHUDNBSSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]([NH3+])C(C)C 643511822 352982985 /nfs/dbraw/zinc/98/29/85/352982985.db2.gz RLZUKFDWBIOCJH-UTUOFQBUSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1CCC1 643511957 352983287 /nfs/dbraw/zinc/98/32/87/352983287.db2.gz WTDXAUQLJSHUJE-VXGBXAGGSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1CCC1 643511954 352983401 /nfs/dbraw/zinc/98/34/01/352983401.db2.gz WTDXAUQLJSHUJE-NEPJUHHUSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C1CCC1 643511956 352983672 /nfs/dbraw/zinc/98/36/72/352983672.db2.gz WTDXAUQLJSHUJE-RYUDHWBXSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C1CCC1 643511955 352983686 /nfs/dbraw/zinc/98/36/86/352983686.db2.gz WTDXAUQLJSHUJE-NWDGAFQWSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]1CC[C@@H]1[NH2+]CC([NH3+])(CC)CC 643513809 352984144 /nfs/dbraw/zinc/98/41/44/352984144.db2.gz QEKORYBCESOBEG-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC(C)(C)[NH3+])C1 643513354 352984189 /nfs/dbraw/zinc/98/41/89/352984189.db2.gz CATDANCGOWOHHG-GMTAPVOTSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)[NH3+] 643513357 352984221 /nfs/dbraw/zinc/98/42/21/352984221.db2.gz CATDANCGOWOHHG-VWYCJHECSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)=CCC[C@H](C)[NH2+]CC(C)(C)[NH3+] 643513052 352984239 /nfs/dbraw/zinc/98/42/39/352984239.db2.gz MGJYVWZCQWDTPV-NSHDSACASA-N 2 0 198.354 2.448 20 0 AEADRP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)C1CC1 643513545 352984300 /nfs/dbraw/zinc/98/43/00/352984300.db2.gz MCXGLEVOTUVVLW-LLVKDONJSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC(C)(C)[NH3+])C1 643513355 352984319 /nfs/dbraw/zinc/98/43/19/352984319.db2.gz CATDANCGOWOHHG-MXWKQRLJSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1CC[C@H]1[NH2+]CC([NH3+])(CC)CC 643513807 352984470 /nfs/dbraw/zinc/98/44/70/352984470.db2.gz QEKORYBCESOBEG-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+]CC(C)(C)[NH3+] 643513458 352984512 /nfs/dbraw/zinc/98/45/12/352984512.db2.gz WRAIUTKBAGANLT-SECBINFHSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H]1CC[C@H]1[NH2+]CC([NH3+])(CC)CC 643513810 352984680 /nfs/dbraw/zinc/98/46/80/352984680.db2.gz QEKORYBCESOBEG-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)=CCC[C@@H](C)[NH2+]CC(C)(C)[NH3+] 643513051 352984770 /nfs/dbraw/zinc/98/47/70/352984770.db2.gz MGJYVWZCQWDTPV-LLVKDONJSA-N 2 0 198.354 2.448 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+]CC([NH3+])(CC)CC 643513808 352984785 /nfs/dbraw/zinc/98/47/85/352984785.db2.gz QEKORYBCESOBEG-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(C)(C)[NH3+] 643513356 352984817 /nfs/dbraw/zinc/98/48/17/352984817.db2.gz CATDANCGOWOHHG-OUAUKWLOSA-N 2 0 198.354 2.138 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+]CC(C)(C)[NH3+] 643513459 352984904 /nfs/dbraw/zinc/98/49/04/352984904.db2.gz WRAIUTKBAGANLT-VIFPVBQESA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H]([NH2+]CC([NH3+])(CC)CC)C1CC1 643513546 352984916 /nfs/dbraw/zinc/98/49/16/352984916.db2.gz MCXGLEVOTUVVLW-NSHDSACASA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] 643514665 352985398 /nfs/dbraw/zinc/98/53/98/352985398.db2.gz MTRYDPHIBXDSRS-NWDGAFQWSA-N 2 0 198.354 2.306 20 0 AEADRP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] 643514666 352985721 /nfs/dbraw/zinc/98/57/21/352985721.db2.gz MTRYDPHIBXDSRS-RYUDHWBXSA-N 2 0 198.354 2.306 20 0 AEADRP CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)C[NH3+] 643514664 352985819 /nfs/dbraw/zinc/98/58/19/352985819.db2.gz MTRYDPHIBXDSRS-NEPJUHHUSA-N 2 0 198.354 2.306 20 0 AEADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] 643514667 352985881 /nfs/dbraw/zinc/98/58/81/352985881.db2.gz MTRYDPHIBXDSRS-VXGBXAGGSA-N 2 0 198.354 2.306 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H](C(C)C)C1CC1 643515199 352986229 /nfs/dbraw/zinc/98/62/29/352986229.db2.gz CPTAQKDTWXNWEH-LBPRGKRZSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](CC)[C@H]1C[C@@H]1C 643515137 352986273 /nfs/dbraw/zinc/98/62/73/352986273.db2.gz HMCHWMRENNORNT-SDDRHHMPSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](CC)[C@@H]1C[C@H]1C 643515135 352986323 /nfs/dbraw/zinc/98/63/23/352986323.db2.gz HMCHWMRENNORNT-IJLUTSLNSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H](CC)C(C)C 643515314 352986394 /nfs/dbraw/zinc/98/63/94/352986394.db2.gz LWWOJDQRZIDKIN-NSHDSACASA-N 2 0 186.343 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H](CC)C1CCC1 643515094 352986442 /nfs/dbraw/zinc/98/64/42/352986442.db2.gz BSMQOSPBIOPWEX-LBPRGKRZSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H](C)C1CCCC1 643515240 352986450 /nfs/dbraw/zinc/98/64/50/352986450.db2.gz OVRTUPMNTDKIHA-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](CC)[C@H]1C[C@H]1C 643515134 352986459 /nfs/dbraw/zinc/98/64/59/352986459.db2.gz HMCHWMRENNORNT-GRYCIOLGSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](C(C)C)C1CC1 643515198 352986489 /nfs/dbraw/zinc/98/64/89/352986489.db2.gz CPTAQKDTWXNWEH-GFCCVEGCSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1CC 643515259 352986498 /nfs/dbraw/zinc/98/64/98/352986498.db2.gz VTYKFGHOEGMGOU-RYUDHWBXSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C 643515136 352986596 /nfs/dbraw/zinc/98/65/96/352986596.db2.gz HMCHWMRENNORNT-QJPTWQEYSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](C)C1CCCC1 643515239 352986648 /nfs/dbraw/zinc/98/66/48/352986648.db2.gz OVRTUPMNTDKIHA-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](C)C(C)(C)C 643515231 352986657 /nfs/dbraw/zinc/98/66/57/352986657.db2.gz LWUYRMIKYYYMEA-SNVBAGLBSA-N 2 0 186.343 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](CC)C(C)C 643515313 352986672 /nfs/dbraw/zinc/98/66/72/352986672.db2.gz LWWOJDQRZIDKIN-LLVKDONJSA-N 2 0 186.343 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H](C)C(C)(C)C 643515230 352986680 /nfs/dbraw/zinc/98/66/80/352986680.db2.gz LWUYRMIKYYYMEA-JTQLQIEISA-N 2 0 186.343 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1CC 643515260 352986763 /nfs/dbraw/zinc/98/67/63/352986763.db2.gz VTYKFGHOEGMGOU-VXGBXAGGSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](CC)C1CCC1 643515093 352986802 /nfs/dbraw/zinc/98/68/02/352986802.db2.gz BSMQOSPBIOPWEX-GFCCVEGCSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H]1CC 643515257 352986894 /nfs/dbraw/zinc/98/68/94/352986894.db2.gz VTYKFGHOEGMGOU-NEPJUHHUSA-N 2 0 198.354 2.154 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1CC 643515258 352986910 /nfs/dbraw/zinc/98/69/10/352986910.db2.gz VTYKFGHOEGMGOU-NWDGAFQWSA-N 2 0 198.354 2.154 20 0 AEADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CC1C[NH2+]C1 643516064 352987206 /nfs/dbraw/zinc/98/72/06/352987206.db2.gz UOIGVXKRMOBVMF-ZYHUDNBSSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)CCC[C@@H](C)[NH2+]CC1C[NH2+]C1 643515997 352987244 /nfs/dbraw/zinc/98/72/44/352987244.db2.gz KAODGAXNZNCKPB-LLVKDONJSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)C[C@@H](CC)[NH2+]CC1C[NH2+]C1 643516061 352987299 /nfs/dbraw/zinc/98/72/99/352987299.db2.gz UOIGVXKRMOBVMF-CMPLNLGQSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@@H](C[C@H](C)CC)[NH2+]CC1C[NH2+]C1 643516063 352987456 /nfs/dbraw/zinc/98/74/56/352987456.db2.gz UOIGVXKRMOBVMF-PWSUYJOCSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CC1C[NH2+]C1 643516033 352987556 /nfs/dbraw/zinc/98/75/56/352987556.db2.gz PHKQXURUYDGKJQ-ZYHUDNBSSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@H](C)[C@@H](CC)[NH2+]CC1C[NH2+]C1 643516030 352987590 /nfs/dbraw/zinc/98/75/90/352987590.db2.gz PHKQXURUYDGKJQ-CMPLNLGQSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)C[C@H](CC)[NH2+]CC1C[NH2+]C1 643516062 352987603 /nfs/dbraw/zinc/98/76/03/352987603.db2.gz UOIGVXKRMOBVMF-JQWIXIFHSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@@H](C)[C@H](CC)[NH2+]CC1C[NH2+]C1 643516032 352987660 /nfs/dbraw/zinc/98/76/60/352987660.db2.gz PHKQXURUYDGKJQ-PWSUYJOCSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@H](C)[C@H](CC)[NH2+]CC1C[NH2+]C1 643516031 352987762 /nfs/dbraw/zinc/98/77/62/352987762.db2.gz PHKQXURUYDGKJQ-JQWIXIFHSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)CCC[C@H](C)[NH2+]CC1C[NH2+]C1 643515998 352987813 /nfs/dbraw/zinc/98/78/13/352987813.db2.gz KAODGAXNZNCKPB-NSHDSACASA-N 2 0 198.354 2.010 20 0 AEADRP CCCC[C@H](C)[C@H](C)[NH2+]CC1C[NH2+]C1 643516577 352988284 /nfs/dbraw/zinc/98/82/84/352988284.db2.gz UOSLHFKBECWIFW-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP CCCC[C@@H](C)[C@H](C)[NH2+]CC1C[NH2+]C1 643516576 352988328 /nfs/dbraw/zinc/98/83/28/352988328.db2.gz UOSLHFKBECWIFW-MNOVXSKESA-N 2 0 198.354 2.010 20 0 AEADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CC1C[NH2+]C1 643516575 352988456 /nfs/dbraw/zinc/98/84/56/352988456.db2.gz UOSLHFKBECWIFW-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP CCCC[C@H](C)[C@@H](C)[NH2+]CC1C[NH2+]C1 643516578 352988616 /nfs/dbraw/zinc/98/86/16/352988616.db2.gz UOSLHFKBECWIFW-WDEREUQCSA-N 2 0 198.354 2.010 20 0 AEADRP C[C@H]([NH2+]CC1([NH3+])CCC1)C1CCCC1 643517878 352989049 /nfs/dbraw/zinc/98/90/49/352989049.db2.gz STVQKEGIGNQARI-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 643516730 352989164 /nfs/dbraw/zinc/98/91/64/352989164.db2.gz OXGZECZUUVNCJI-GXSJLCMTSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH2+]CC1([NH3+])CCC1)C1CCC1 643517925 352989187 /nfs/dbraw/zinc/98/91/87/352989187.db2.gz BLKASUJJNIHBDZ-NSHDSACASA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCC1 643517838 352989204 /nfs/dbraw/zinc/98/92/04/352989204.db2.gz ISXICIRCIVJXSM-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCC1 643517839 352989303 /nfs/dbraw/zinc/98/93/03/352989303.db2.gz ISXICIRCIVJXSM-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+]CC1([NH3+])CCC1 643518005 352989340 /nfs/dbraw/zinc/98/93/40/352989340.db2.gz QHESGQQSPZMAGC-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]([NH2+]CC1([NH3+])CCC1)C1CCCC1 643517879 352989414 /nfs/dbraw/zinc/98/94/14/352989414.db2.gz STVQKEGIGNQARI-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+]CC1([NH3+])CCC1 643518004 352989431 /nfs/dbraw/zinc/98/94/31/352989431.db2.gz QHESGQQSPZMAGC-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 643516731 352989435 /nfs/dbraw/zinc/98/94/35/352989435.db2.gz OXGZECZUUVNCJI-KOLCDFICSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCC1 643517837 352989502 /nfs/dbraw/zinc/98/95/02/352989502.db2.gz ISXICIRCIVJXSM-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 643516733 352989556 /nfs/dbraw/zinc/98/95/56/352989556.db2.gz OXGZECZUUVNCJI-ONGXEEELSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCC1 643517836 352989567 /nfs/dbraw/zinc/98/95/67/352989567.db2.gz ISXICIRCIVJXSM-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 643516732 352989577 /nfs/dbraw/zinc/98/95/77/352989577.db2.gz OXGZECZUUVNCJI-MWLCHTKSSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]([NH2+]CC1([NH3+])CCC1)C1CCC1 643517924 352989581 /nfs/dbraw/zinc/98/95/81/352989581.db2.gz BLKASUJJNIHBDZ-LLVKDONJSA-N 2 0 196.338 2.036 20 0 AEADRP CCCC[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 643520088 352991149 /nfs/dbraw/zinc/99/11/49/352991149.db2.gz WYIWNYNYFMMVIZ-LLVKDONJSA-N 2 0 196.338 2.074 20 0 AEADRP CCCC[C@H](C)[NH2+]CC1=CC[NH2+]CC1 643520089 352991182 /nfs/dbraw/zinc/99/11/82/352991182.db2.gz WYIWNYNYFMMVIZ-NSHDSACASA-N 2 0 196.338 2.074 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 643524078 352991912 /nfs/dbraw/zinc/99/19/12/352991912.db2.gz GPYLAFIHXVGYIX-KXNHARMFSA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 643524080 352991974 /nfs/dbraw/zinc/99/19/74/352991974.db2.gz GPYLAFIHXVGYIX-WYUUTHIRSA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 643524079 352991981 /nfs/dbraw/zinc/99/19/81/352991981.db2.gz GPYLAFIHXVGYIX-RHYQMDGZSA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 643524077 352992025 /nfs/dbraw/zinc/99/20/25/352992025.db2.gz GPYLAFIHXVGYIX-KKOKHZNYSA-N 2 0 196.338 2.035 20 0 AEADRP CCC[C@H](CC)[NH2+]CC1=CC[NH2+]CC1 643520264 352992036 /nfs/dbraw/zinc/99/20/36/352992036.db2.gz AITDUCFCOXPTFP-LBPRGKRZSA-N 2 0 196.338 2.074 20 0 AEADRP CCC[C@@H](CC)[NH2+]CC1=CC[NH2+]CC1 643520263 352992056 /nfs/dbraw/zinc/99/20/56/352992056.db2.gz AITDUCFCOXPTFP-GFCCVEGCSA-N 2 0 196.338 2.074 20 0 AEADRP CCCC1CCC([NH2+]C[C@H](C)[NH3+])CC1 643526024 352992371 /nfs/dbraw/zinc/99/23/71/352992371.db2.gz NVRVHOAYDNLZQB-UNXYVOJBSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]1C[C@H]([NH2+][C@H](C)C(C)(C)C)CC[NH2+]1 643525841 352992377 /nfs/dbraw/zinc/99/23/77/352992377.db2.gz UQVMWJNOFVYGSP-GMTAPVOTSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C)[NH3+] 643526132 352992418 /nfs/dbraw/zinc/99/24/18/352992418.db2.gz QMIAPENHERKXRU-AXFHLTTASA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](C)[NH3+] 643526133 352992446 /nfs/dbraw/zinc/99/24/46/352992446.db2.gz QMIAPENHERKXRU-DCAQKATOSA-N 2 0 186.343 2.138 20 0 AEADRP C[C@@H]1C[C@@H]([NH2+][C@H](C)C(C)(C)C)CC[NH2+]1 643525842 352992476 /nfs/dbraw/zinc/99/24/76/352992476.db2.gz UQVMWJNOFVYGSP-MXWKQRLJSA-N 2 0 198.354 2.151 20 0 AEADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C(C)(C)C 643525844 352992534 /nfs/dbraw/zinc/99/25/34/352992534.db2.gz UQVMWJNOFVYGSP-VWYCJHECSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(C)C 643525452 352992627 /nfs/dbraw/zinc/99/26/27/352992627.db2.gz UCBOWTAOGJMFRX-SRVKXCTJSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@H](C)C[C@@H](CC)[NH2+]C[C@@H](C)[NH3+] 643526135 352992674 /nfs/dbraw/zinc/99/26/74/352992674.db2.gz QMIAPENHERKXRU-HBNTYKKESA-N 2 0 186.343 2.138 20 0 AEADRP CCCC1CCC([NH2+]C[C@@H](C)[NH3+])CC1 643526025 352992730 /nfs/dbraw/zinc/99/27/30/352992730.db2.gz NVRVHOAYDNLZQB-VOMCLLRMSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(C)(C)C 643525843 352992816 /nfs/dbraw/zinc/99/28/16/352992816.db2.gz UQVMWJNOFVYGSP-OUAUKWLOSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C(C)C 643525453 352992979 /nfs/dbraw/zinc/99/29/79/352992979.db2.gz UCBOWTAOGJMFRX-TUAOUCFPSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@H](C)C[C@@H](CC)[NH2+]C[C@H](C)[NH3+] 643526134 352993059 /nfs/dbraw/zinc/99/30/59/352993059.db2.gz QMIAPENHERKXRU-GARJFASQSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(C)C 643525454 352993104 /nfs/dbraw/zinc/99/31/04/352993104.db2.gz UCBOWTAOGJMFRX-UTUOFQBUSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C(C)C 643525455 352993288 /nfs/dbraw/zinc/99/32/88/352993288.db2.gz UCBOWTAOGJMFRX-WOPDTQHZSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](C)[NH3+] 643526683 352993537 /nfs/dbraw/zinc/99/35/37/352993537.db2.gz DRYJTTJDBLSDSN-YFKTTZPYSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH3+])C1 643526697 352993541 /nfs/dbraw/zinc/99/35/41/352993541.db2.gz DXQQGMXQCHKMBO-SDDRHHMPSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](C)[NH3+] 643526588 352993562 /nfs/dbraw/zinc/99/35/62/352993562.db2.gz BNVOBYDEJXWRNQ-WRWGMCAJSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](C)[NH3+] 643526585 352993822 /nfs/dbraw/zinc/99/38/22/352993822.db2.gz BNVOBYDEJXWRNQ-DDHJBXDOSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C)[NH3+] 643526682 352993934 /nfs/dbraw/zinc/99/39/34/352993934.db2.gz DRYJTTJDBLSDSN-QCNOEVLYSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C)[NH3+] 643526680 352993960 /nfs/dbraw/zinc/99/39/60/352993960.db2.gz DRYJTTJDBLSDSN-IRCOFANPSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[NH3+])C1 643526699 352994078 /nfs/dbraw/zinc/99/40/78/352994078.db2.gz DXQQGMXQCHKMBO-TUAOUCFPSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH3+])C1 643526696 352994063 /nfs/dbraw/zinc/99/40/63/352994063.db2.gz DXQQGMXQCHKMBO-QJPTWQEYSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](C)[NH3+] 643526587 352994067 /nfs/dbraw/zinc/99/40/67/352994067.db2.gz BNVOBYDEJXWRNQ-KXNHARMFSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@H](C)[NH3+])C1 643526698 352994231 /nfs/dbraw/zinc/99/42/31/352994231.db2.gz DXQQGMXQCHKMBO-SRVKXCTJSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)[NH3+] 643526681 352994195 /nfs/dbraw/zinc/99/41/95/352994195.db2.gz DRYJTTJDBLSDSN-NNYUYHANSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](C)[NH3+] 643526586 352994226 /nfs/dbraw/zinc/99/42/26/352994226.db2.gz BNVOBYDEJXWRNQ-KKOKHZNYSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@@H](C)CCC1CCCC1 643528142 352994477 /nfs/dbraw/zinc/99/44/77/352994477.db2.gz DKHKRPLHXHDYAZ-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CCC1(C)CCC([NH2+]C[C@H](C)[NH3+])CC1 643528200 352994491 /nfs/dbraw/zinc/99/44/91/352994491.db2.gz FJGPMKOPFSSXFS-UNXYVOJBSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)[NH3+] 643528450 352994521 /nfs/dbraw/zinc/99/45/21/352994521.db2.gz JFZQUWWFPKLRTQ-SRVKXCTJSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)CC[C@H]([NH2+]C[C@@H](C)[NH3+])C1CC1 643527208 352994600 /nfs/dbraw/zinc/99/46/00/352994600.db2.gz KSADBGCRWDHCNA-PWSUYJOCSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[NH3+] 643527571 352994608 /nfs/dbraw/zinc/99/46/08/352994608.db2.gz OPLJLUBTGCAANP-AXFHLTTASA-N 2 0 186.343 2.138 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@H]1CCCC12CCCC2 643527952 352994633 /nfs/dbraw/zinc/99/46/33/352994633.db2.gz WBMRVOLKFVCLGQ-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@H](C)CCC1CCCC1 643528143 352994642 /nfs/dbraw/zinc/99/46/42/352994642.db2.gz DKHKRPLHXHDYAZ-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CC[C@@H]([NH2+]C[C@@H](C)[NH3+])C1CC1 643527209 352994649 /nfs/dbraw/zinc/99/46/49/352994649.db2.gz KSADBGCRWDHCNA-ZYHUDNBSSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@H](C)[NH3+] 643528451 352994658 /nfs/dbraw/zinc/99/46/58/352994658.db2.gz JFZQUWWFPKLRTQ-TUAOUCFPSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)CC[C@H]([NH2+]C[C@H](C)[NH3+])C1CC1 643527207 352994734 /nfs/dbraw/zinc/99/47/34/352994734.db2.gz KSADBGCRWDHCNA-JQWIXIFHSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[NH3+] 643527572 352994778 /nfs/dbraw/zinc/99/47/78/352994778.db2.gz OPLJLUBTGCAANP-DCAQKATOSA-N 2 0 186.343 2.138 20 0 AEADRP C[C@@H]([NH3+])C[NH2+][C@H](C)CCC1CCCC1 643528140 352994790 /nfs/dbraw/zinc/99/47/90/352994790.db2.gz DKHKRPLHXHDYAZ-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCC12CCCC2 643527950 352994800 /nfs/dbraw/zinc/99/48/00/352994800.db2.gz WBMRVOLKFVCLGQ-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCCC12CCCC2 643527953 352994815 /nfs/dbraw/zinc/99/48/15/352994815.db2.gz WBMRVOLKFVCLGQ-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H](CCC1CCCC1)[NH2+]C[C@@H](C)[NH3+] 643528141 352994825 /nfs/dbraw/zinc/99/48/25/352994825.db2.gz DKHKRPLHXHDYAZ-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)CC[C@@H]([NH2+]C[C@H](C)[NH3+])C1CC1 643527206 352994879 /nfs/dbraw/zinc/99/48/79/352994879.db2.gz KSADBGCRWDHCNA-CMPLNLGQSA-N 2 0 198.354 2.138 20 0 AEADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)[NH3+] 643527573 352994905 /nfs/dbraw/zinc/99/49/05/352994905.db2.gz OPLJLUBTGCAANP-GARJFASQSA-N 2 0 186.343 2.138 20 0 AEADRP CCC1(C)CCC([NH2+]C[C@@H](C)[NH3+])CC1 643528201 352994933 /nfs/dbraw/zinc/99/49/33/352994933.db2.gz FJGPMKOPFSSXFS-VOMCLLRMSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[NH3+] 643527574 352994939 /nfs/dbraw/zinc/99/49/39/352994939.db2.gz OPLJLUBTGCAANP-HBNTYKKESA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@H](C)[NH3+] 643528448 352994943 /nfs/dbraw/zinc/99/49/43/352994943.db2.gz JFZQUWWFPKLRTQ-QJPTWQEYSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@@H]([NH3+])C[NH2+][C@H]1CCCC12CCCC2 643527951 352994984 /nfs/dbraw/zinc/99/49/84/352994984.db2.gz WBMRVOLKFVCLGQ-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C)[NH3+] 643528613 352995517 /nfs/dbraw/zinc/99/55/17/352995517.db2.gz LZJSBGVFNYLGBX-AXFHLTTASA-N 2 0 186.343 2.138 20 0 AEADRP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[NH3+] 643528760 352995348 /nfs/dbraw/zinc/99/53/48/352995348.db2.gz OIORUCRDVWIOGB-QJPTWQEYSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)C1CCC([NH2+]C[C@H](C)[NH3+])CC1 643529041 352995368 /nfs/dbraw/zinc/99/53/68/352995368.db2.gz TWZWUHSQOHYSDB-UNXYVOJBSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)C1CCC([NH2+]C[C@@H](C)[NH3+])CC1 643529042 352995397 /nfs/dbraw/zinc/99/53/97/352995397.db2.gz TWZWUHSQOHYSDB-VOMCLLRMSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)CCC[C@@H](C)[NH2+]C[C@H](C)[NH3+] 643529104 352995402 /nfs/dbraw/zinc/99/54/02/352995402.db2.gz VEXZUWTYVRIOAW-WDEREUQCSA-N 2 0 186.343 2.138 20 0 AEADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C)[NH3+] 643528616 352995489 /nfs/dbraw/zinc/99/54/89/352995489.db2.gz LZJSBGVFNYLGBX-HBNTYKKESA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)[NH3+] 643528996 352995600 /nfs/dbraw/zinc/99/56/00/352995600.db2.gz SKUZYMBKNNPJGC-MNOVXSKESA-N 2 0 184.327 2.058 20 0 AEADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](C)[NH3+] 643528615 352995620 /nfs/dbraw/zinc/99/56/20/352995620.db2.gz LZJSBGVFNYLGBX-GARJFASQSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)[NH3+] 643528998 352995722 /nfs/dbraw/zinc/99/57/22/352995722.db2.gz SKUZYMBKNNPJGC-WDEREUQCSA-N 2 0 184.327 2.058 20 0 AEADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)[NH3+] 643528995 352995746 /nfs/dbraw/zinc/99/57/46/352995746.db2.gz SKUZYMBKNNPJGC-GHMZBOCLSA-N 2 0 184.327 2.058 20 0 AEADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](C)[NH3+] 643528614 352995791 /nfs/dbraw/zinc/99/57/91/352995791.db2.gz LZJSBGVFNYLGBX-DCAQKATOSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)CCC[C@H](C)[NH2+]C[C@@H](C)[NH3+] 643529102 352995799 /nfs/dbraw/zinc/99/57/99/352995799.db2.gz VEXZUWTYVRIOAW-MNOVXSKESA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)CCC[C@H](C)[NH2+]C[C@H](C)[NH3+] 643529103 352995806 /nfs/dbraw/zinc/99/58/06/352995806.db2.gz VEXZUWTYVRIOAW-QWRGUYRKSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)CCC[C@@H](C)[NH2+]C[C@@H](C)[NH3+] 643529101 352995817 /nfs/dbraw/zinc/99/58/17/352995817.db2.gz VEXZUWTYVRIOAW-GHMZBOCLSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)[NH3+] 643528997 352995830 /nfs/dbraw/zinc/99/58/30/352995830.db2.gz SKUZYMBKNNPJGC-QWRGUYRKSA-N 2 0 184.327 2.058 20 0 AEADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[NH3+] 643528762 352995878 /nfs/dbraw/zinc/99/58/78/352995878.db2.gz OIORUCRDVWIOGB-UTUOFQBUSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[NH3+] 643528761 352995882 /nfs/dbraw/zinc/99/58/82/352995882.db2.gz OIORUCRDVWIOGB-TUAOUCFPSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)[NH3+] 643528759 352995893 /nfs/dbraw/zinc/99/58/93/352995893.db2.gz OIORUCRDVWIOGB-IJLUTSLNSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C 643529552 352996373 /nfs/dbraw/zinc/99/63/73/352996373.db2.gz ABHONBIZHZXXKY-WRWGMCAJSA-N 2 0 198.354 2.138 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H]1CC 643529623 352996379 /nfs/dbraw/zinc/99/63/79/352996379.db2.gz GYYGYLSGTITYEQ-IJLUTSLNSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C(C)C)C1CC1 643529588 352996412 /nfs/dbraw/zinc/99/64/12/352996412.db2.gz DSMSCSVCDCFTRU-PWSUYJOCSA-N 2 0 198.354 2.009 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C 643529550 352996425 /nfs/dbraw/zinc/99/64/25/352996425.db2.gz ABHONBIZHZXXKY-KXNHARMFSA-N 2 0 198.354 2.138 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](C(C)C)C1CC1 643529589 352996460 /nfs/dbraw/zinc/99/64/60/352996460.db2.gz DSMSCSVCDCFTRU-ZYHUDNBSSA-N 2 0 198.354 2.009 20 0 AEADRP CCC[C@@H]([NH2+]C[C@@H](C)[NH3+])C1CCCC1 643529643 352996469 /nfs/dbraw/zinc/99/64/69/352996469.db2.gz IHRNFNHPSDLATF-ZYHUDNBSSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C 643529308 352996539 /nfs/dbraw/zinc/99/65/39/352996539.db2.gz YLBIPCCBLKPRCN-GARJFASQSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC(C)(C)C[C@H]1C 643529310 352996546 /nfs/dbraw/zinc/99/65/46/352996546.db2.gz YLBIPCCBLKPRCN-VWYCJHECSA-N 2 0 198.354 2.138 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@@H](C)CC 643529660 352996555 /nfs/dbraw/zinc/99/65/55/352996555.db2.gz KKNRKEHYNBDMMX-AXFHLTTASA-N 2 0 186.343 2.009 20 0 AEADRP CCC[C@H]([NH2+]C[C@@H](C)[NH3+])C1CCCC1 643529642 352996564 /nfs/dbraw/zinc/99/65/64/352996564.db2.gz IHRNFNHPSDLATF-PWSUYJOCSA-N 2 0 198.354 2.282 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@H](C)CC 643529663 352996579 /nfs/dbraw/zinc/99/65/79/352996579.db2.gz KKNRKEHYNBDMMX-MXWKQRLJSA-N 2 0 186.343 2.009 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@H](C)CC 643529661 352996610 /nfs/dbraw/zinc/99/66/10/352996610.db2.gz KKNRKEHYNBDMMX-GMTAPVOTSA-N 2 0 186.343 2.009 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)C(C)C 643529733 352996629 /nfs/dbraw/zinc/99/66/29/352996629.db2.gz QUGQCYSERYLSOL-MNOVXSKESA-N 2 0 186.343 2.009 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](CC)C(C)C 643529732 352996633 /nfs/dbraw/zinc/99/66/33/352996633.db2.gz QUGQCYSERYLSOL-GHMZBOCLSA-N 2 0 186.343 2.009 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C 643529307 352996645 /nfs/dbraw/zinc/99/66/45/352996645.db2.gz YLBIPCCBLKPRCN-DCAQKATOSA-N 2 0 198.354 2.138 20 0 AEADRP CCC[C@H]([NH2+]C[C@H](C)[NH3+])C1CCCC1 643529641 352996685 /nfs/dbraw/zinc/99/66/85/352996685.db2.gz IHRNFNHPSDLATF-JQWIXIFHSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C 643529553 352996712 /nfs/dbraw/zinc/99/67/12/352996712.db2.gz ABHONBIZHZXXKY-YFKTTZPYSA-N 2 0 198.354 2.138 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)C1CCCC1 643529702 352996716 /nfs/dbraw/zinc/99/67/16/352996716.db2.gz PFFOGFOMLDDOFN-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H]1CC 643529624 352996736 /nfs/dbraw/zinc/99/67/36/352996736.db2.gz GYYGYLSGTITYEQ-UTUOFQBUSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)C1CCCC1 643529703 352996818 /nfs/dbraw/zinc/99/68/18/352996818.db2.gz PFFOGFOMLDDOFN-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C 643529309 352996845 /nfs/dbraw/zinc/99/68/45/352996845.db2.gz YLBIPCCBLKPRCN-OUAUKWLOSA-N 2 0 198.354 2.138 20 0 AEADRP C[C@H]([NH3+])C[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C 643529551 352996869 /nfs/dbraw/zinc/99/68/69/352996869.db2.gz ABHONBIZHZXXKY-NNYUYHANSA-N 2 0 198.354 2.138 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CC 643529622 352996875 /nfs/dbraw/zinc/99/68/75/352996875.db2.gz GYYGYLSGTITYEQ-GRYCIOLGSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@@H]([NH2+]C[C@H](C)[NH3+])C1CCCC1 643529640 352996894 /nfs/dbraw/zinc/99/68/94/352996894.db2.gz IHRNFNHPSDLATF-CMPLNLGQSA-N 2 0 198.354 2.282 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@@H]1CC 643529625 352996920 /nfs/dbraw/zinc/99/69/20/352996920.db2.gz GYYGYLSGTITYEQ-WOPDTQHZSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@@H](C)CC 643529662 352996937 /nfs/dbraw/zinc/99/69/37/352996937.db2.gz KKNRKEHYNBDMMX-HBNTYKKESA-N 2 0 186.343 2.009 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)C1CCC1 643529794 352997448 /nfs/dbraw/zinc/99/74/48/352997448.db2.gz FMILIDGDNQMYPR-PWSUYJOCSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](CC)[C@@H]1C[C@@H]1C 643530031 352997461 /nfs/dbraw/zinc/99/74/61/352997461.db2.gz YKKCBVNFZBOUEV-IRCOFANPSA-N 2 0 198.354 2.009 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)C(C)(C)C 643529919 352997473 /nfs/dbraw/zinc/99/74/73/352997473.db2.gz XGBQFAQLPMBUTC-NXEZZACHSA-N 2 0 186.343 2.009 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](CC)[C@@H]1C[C@H]1C 643530030 352997550 /nfs/dbraw/zinc/99/75/50/352997550.db2.gz YKKCBVNFZBOUEV-DDHJBXDOSA-N 2 0 198.354 2.009 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)C(C)(C)C 643529920 352997598 /nfs/dbraw/zinc/99/75/98/352997598.db2.gz XGBQFAQLPMBUTC-ZJUUUORDSA-N 2 0 186.343 2.009 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](CC)C1CCC1 643529795 352997652 /nfs/dbraw/zinc/99/76/52/352997652.db2.gz FMILIDGDNQMYPR-ZYHUDNBSSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+][C@H](CC)[C@H]1C[C@@H]1C 643530032 352997746 /nfs/dbraw/zinc/99/77/46/352997746.db2.gz YKKCBVNFZBOUEV-WHOHXGKFSA-N 2 0 198.354 2.009 20 0 AEADRP CC[NH2+][C@H](C)C[NH2+]C1CC(C(C)C)C1 643530014 352997783 /nfs/dbraw/zinc/99/77/83/352997783.db2.gz WUIJCQFAPJFBFD-VOMCLLRMSA-N 2 0 198.354 2.009 20 0 AEADRP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] 643533208 353000112 /nfs/dbraw/zinc/00/01/12/353000112.db2.gz PDYXHMCBSWUOMV-QJPTWQEYSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)CCCC[NH3+] 643533207 353000193 /nfs/dbraw/zinc/00/01/93/353000193.db2.gz PDYXHMCBSWUOMV-IJLUTSLNSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCCC[NH3+] 643533210 353000258 /nfs/dbraw/zinc/00/02/58/353000258.db2.gz PDYXHMCBSWUOMV-UTUOFQBUSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CCCC[NH3+] 643533209 353000262 /nfs/dbraw/zinc/00/02/62/353000262.db2.gz PDYXHMCBSWUOMV-TUAOUCFPSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H]1C[C@H]1C 643539333 353000733 /nfs/dbraw/zinc/00/07/33/353000733.db2.gz ORLLWIKPNPRTQH-KKOKHZNYSA-N 2 0 198.354 2.138 20 0 AEADRP 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C[C@H](CCC[NH3+])[NH2+][C@H]1CCC12CCC2 643539230 353000951 /nfs/dbraw/zinc/00/09/51/353000951.db2.gz KSEZUASENIKKQM-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCC=C(C)C 643540263 353002180 /nfs/dbraw/zinc/00/21/80/353002180.db2.gz NIXQMVPDVPJMNN-NEPJUHHUSA-N 2 0 198.354 2.448 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 643540260 353002232 /nfs/dbraw/zinc/00/22/32/353002232.db2.gz NHYIUDBXQQKJCX-KXNHARMFSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCC=C(C)C 643540265 353002265 /nfs/dbraw/zinc/00/22/65/353002265.db2.gz NIXQMVPDVPJMNN-RYUDHWBXSA-N 2 0 198.354 2.448 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C1CCC2(CC1)CC2 643540382 353002271 /nfs/dbraw/zinc/00/22/71/353002271.db2.gz ASGNROSVHHAXML-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCCC[C@@H]1CC 643540509 353002273 /nfs/dbraw/zinc/00/22/73/353002273.db2.gz NCAMPCVKRPKWAG-SRVKXCTJSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC12CCCC2 643540449 353002294 /nfs/dbraw/zinc/00/22/94/353002294.db2.gz IPJHRTFWDIRKPP-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC12CCCC2 643540450 353002318 /nfs/dbraw/zinc/00/23/18/353002318.db2.gz IPJHRTFWDIRKPP-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCC=C(C)C 643540264 353002343 /nfs/dbraw/zinc/00/23/43/353002343.db2.gz NIXQMVPDVPJMNN-NWDGAFQWSA-N 2 0 198.354 2.448 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCC12CCCC2 643540447 353002367 /nfs/dbraw/zinc/00/23/67/353002367.db2.gz IPJHRTFWDIRKPP-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCC12CCCC2 643540448 353002394 /nfs/dbraw/zinc/00/23/94/353002394.db2.gz IPJHRTFWDIRKPP-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 643540262 353002426 /nfs/dbraw/zinc/00/24/26/353002426.db2.gz NHYIUDBXQQKJCX-WHOHXGKFSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)C[C@H]1C 643540426 353002451 /nfs/dbraw/zinc/00/24/51/353002451.db2.gz FIDPWEGBQAGLAM-OUAUKWLOSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C1[C@H](C)CCC[C@H]1C 643540261 353002499 /nfs/dbraw/zinc/00/24/99/353002499.db2.gz NHYIUDBXQQKJCX-MXWKQRLJSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1CC 643540507 353002547 /nfs/dbraw/zinc/00/25/47/353002547.db2.gz NCAMPCVKRPKWAG-GRYCIOLGSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H]1CC(C)(C)C[C@H]1C 643540427 353002525 /nfs/dbraw/zinc/00/25/25/353002525.db2.gz FIDPWEGBQAGLAM-VWYCJHECSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H]1CC(C)(C)C[C@@H]1C 643540424 353002577 /nfs/dbraw/zinc/00/25/77/353002577.db2.gz FIDPWEGBQAGLAM-DCAQKATOSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 643540425 353002598 /nfs/dbraw/zinc/00/25/98/353002598.db2.gz FIDPWEGBQAGLAM-GARJFASQSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+]C1[C@@H](C)CCC[C@@H]1C 643540259 353002615 /nfs/dbraw/zinc/00/26/15/353002615.db2.gz NHYIUDBXQQKJCX-DCAQKATOSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1CC 643540508 353002659 /nfs/dbraw/zinc/00/26/59/353002659.db2.gz NCAMPCVKRPKWAG-SDDRHHMPSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCC=C(C)C 643540266 353002666 /nfs/dbraw/zinc/00/26/66/353002666.db2.gz NIXQMVPDVPJMNN-VXGBXAGGSA-N 2 0 198.354 2.448 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCCC[C@H]1CC 643540510 353003011 /nfs/dbraw/zinc/00/30/11/353003011.db2.gz NCAMPCVKRPKWAG-WOPDTQHZSA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@H]([NH2+]C[C@@H]([NH3+])CC)C1CCC1 643540788 353003014 /nfs/dbraw/zinc/00/30/14/353003014.db2.gz OUHFFJZMTKBVMJ-RYUDHWBXSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCC(C)(C)C1 643540628 353003017 /nfs/dbraw/zinc/00/30/17/353003017.db2.gz ZAHZQBOBLHRFDW-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C 643540784 353003029 /nfs/dbraw/zinc/00/30/29/353003029.db2.gz OSDLCUJMXPOJDU-WHOHXGKFSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H](C)C(C)(C)CC 643540740 353003033 /nfs/dbraw/zinc/00/30/33/353003033.db2.gz HEWAFIURPKLNIM-ZJUUUORDSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 643540783 353003046 /nfs/dbraw/zinc/00/30/46/353003046.db2.gz OSDLCUJMXPOJDU-NOOOWODRSA-N 2 0 198.354 2.138 20 0 AEADRP CCC[C@H]([NH2+]C[C@H]([NH3+])CC)C1CCC1 643540786 353003050 /nfs/dbraw/zinc/00/30/50/353003050.db2.gz OUHFFJZMTKBVMJ-NEPJUHHUSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H](CC)C1CCCC1 643540713 353003057 /nfs/dbraw/zinc/00/30/57/353003057.db2.gz DPMCCFZTJNIZLB-RYUDHWBXSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC12CCC2 643540803 353003088 /nfs/dbraw/zinc/00/30/88/353003088.db2.gz VDHBDADGZKDOLY-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP 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CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 643540785 353003279 /nfs/dbraw/zinc/00/32/79/353003279.db2.gz OSDLCUJMXPOJDU-WISYIIOYSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@H](CC)C1CCCC1 643540714 353003316 /nfs/dbraw/zinc/00/33/16/353003316.db2.gz DPMCCFZTJNIZLB-VXGBXAGGSA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@@H]([NH2+]C[C@@H]([NH3+])CC)C1CCC1 643540787 353003368 /nfs/dbraw/zinc/00/33/68/353003368.db2.gz OUHFFJZMTKBVMJ-NWDGAFQWSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH3+])C[NH2+][C@H](CC)C1CCCC1 643540712 353003445 /nfs/dbraw/zinc/00/34/45/353003445.db2.gz DPMCCFZTJNIZLB-NWDGAFQWSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)C(C)(C)CC 643540737 353003474 /nfs/dbraw/zinc/00/34/74/353003474.db2.gz HEWAFIURPKLNIM-NXEZZACHSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)C(C)C 643542591 353003885 /nfs/dbraw/zinc/00/38/85/353003885.db2.gz AVRHPESXHMIOBR-TUAOUCFPSA-N 2 0 198.354 2.138 20 0 AEADRP 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CC(C)[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 318991584 371785472 /nfs/dbraw/zinc/78/54/72/371785472.db2.gz KPEWWCBQYGZCIX-RYUDHWBXSA-N 2 0 198.354 2.010 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H](C)[C@H](C)CC 319127420 371785488 /nfs/dbraw/zinc/78/54/88/371785488.db2.gz IOEDQHFUMSEEOQ-MNOVXSKESA-N 2 0 186.343 2.010 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H](C)[C@H](C)CC 319127404 371785546 /nfs/dbraw/zinc/78/55/46/371785546.db2.gz IOEDQHFUMSEEOQ-GHMZBOCLSA-N 2 0 186.343 2.010 20 0 AEADRP CC(C)[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 318991587 371785654 /nfs/dbraw/zinc/78/56/54/371785654.db2.gz KPEWWCBQYGZCIX-VXGBXAGGSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] 319114209 371785663 /nfs/dbraw/zinc/78/56/63/371785663.db2.gz HGFQXQWGENSOIZ-VLEAKVRGSA-N 2 0 186.343 2.136 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 318995790 371785677 /nfs/dbraw/zinc/78/56/77/371785677.db2.gz LQCTYPDKHKDTBY-BJDJZHNGSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 318995791 371785682 /nfs/dbraw/zinc/78/56/82/371785682.db2.gz LQCTYPDKHKDTBY-FIQHERPVSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 319030077 371785686 /nfs/dbraw/zinc/78/56/86/371785686.db2.gz SBGSUOKVISHDJG-NSHDSACASA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 319030065 371785737 /nfs/dbraw/zinc/78/57/37/371785737.db2.gz SBDDTVOOZMNZQL-TUAOUCFPSA-N 2 0 198.354 2.009 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H](C)[C@@H](C)CC 319127458 371785789 /nfs/dbraw/zinc/78/57/89/371785789.db2.gz IOEDQHFUMSEEOQ-WDEREUQCSA-N 2 0 186.343 2.010 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] 319114221 371785796 /nfs/dbraw/zinc/78/57/96/371785796.db2.gz HGFQXQWGENSOIZ-ZDCRXTMVSA-N 2 0 186.343 2.136 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H](C)[C@H](C)CC 319267434 371786533 /nfs/dbraw/zinc/78/65/33/371786533.db2.gz ZNYYPKMLHFJQPJ-MNOVXSKESA-N 2 0 186.343 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](C)[C@H](C)CC 319266797 371787209 /nfs/dbraw/zinc/78/72/09/371787209.db2.gz ZNYYPKMLHFJQPJ-GHMZBOCLSA-N 2 0 186.343 2.010 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@H](C)C(C)C 319506857 371787287 /nfs/dbraw/zinc/78/72/87/371787287.db2.gz JOPWINSURZTMBC-SNVBAGLBSA-N 2 0 186.343 2.138 20 0 AEADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)C(C)C 319506856 371787422 /nfs/dbraw/zinc/78/74/22/371787422.db2.gz JOPWINSURZTMBC-JTQLQIEISA-N 2 0 186.343 2.138 20 0 AEADRP CCC[NH2+]CC[NH2+][C@H](C)[C@@H](C)CC 319267437 371787488 /nfs/dbraw/zinc/78/74/88/371787488.db2.gz ZNYYPKMLHFJQPJ-WDEREUQCSA-N 2 0 186.343 2.010 20 0 AEADRP CCC[NH2+]CC[NH2+][C@@H](C)[C@@H](C)CC 319267436 371787831 /nfs/dbraw/zinc/78/78/31/371787831.db2.gz ZNYYPKMLHFJQPJ-QWRGUYRKSA-N 2 0 186.343 2.010 20 0 AEADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCCCCC1 320496820 371788611 /nfs/dbraw/zinc/78/86/11/371788611.db2.gz IZOSXLWVNOULAA-GHMZBOCLSA-N 2 0 198.354 2.425 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 319536740 371788628 /nfs/dbraw/zinc/78/86/28/371788628.db2.gz NAUHYVVIZVAIOD-SDDRHHMPSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 319549461 371788696 /nfs/dbraw/zinc/78/86/96/371788696.db2.gz OIILDFWYDLMXCB-FIQHERPVSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 319536741 371788740 /nfs/dbraw/zinc/78/87/40/371788740.db2.gz NAUHYVVIZVAIOD-SRVKXCTJSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 319549460 371788917 /nfs/dbraw/zinc/78/89/17/371788917.db2.gz OIILDFWYDLMXCB-BJDJZHNGSA-N 2 0 198.354 2.151 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCCCC1 320759975 371788948 /nfs/dbraw/zinc/78/89/48/371788948.db2.gz XCRMACGYUMQSLA-UWVGGRQHSA-N 2 0 184.327 2.035 20 0 AEADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCCCC1 320759973 371789018 /nfs/dbraw/zinc/78/90/18/371789018.db2.gz XCRMACGYUMQSLA-NXEZZACHSA-N 2 0 184.327 2.035 20 0 AEADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]C1CCCCCC1 320496821 371789079 /nfs/dbraw/zinc/78/90/79/371789079.db2.gz IZOSXLWVNOULAA-MNOVXSKESA-N 2 0 198.354 2.425 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCCCCC1 320496822 371789157 /nfs/dbraw/zinc/78/91/57/371789157.db2.gz IZOSXLWVNOULAA-QWRGUYRKSA-N 2 0 198.354 2.425 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 319549462 371789294 /nfs/dbraw/zinc/78/92/94/371789294.db2.gz OIILDFWYDLMXCB-USZNOCQGSA-N 2 0 198.354 2.151 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 319549463 371789329 /nfs/dbraw/zinc/78/93/29/371789329.db2.gz OIILDFWYDLMXCB-WHOHXGKFSA-N 2 0 198.354 2.151 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] 320603021 371789372 /nfs/dbraw/zinc/78/93/72/371789372.db2.gz XJAHKBKSGDYNGM-DCAQKATOSA-N 2 0 186.343 2.136 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]C1CCCCCC1 320496823 371789404 /nfs/dbraw/zinc/78/94/04/371789404.db2.gz IZOSXLWVNOULAA-WDEREUQCSA-N 2 0 198.354 2.425 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] 320603026 371789612 /nfs/dbraw/zinc/78/96/12/371789612.db2.gz XJAHKBKSGDYNGM-VWYCJHECSA-N 2 0 186.343 2.136 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 319536742 371789643 /nfs/dbraw/zinc/78/96/43/371789643.db2.gz NAUHYVVIZVAIOD-TUAOUCFPSA-N 2 0 198.354 2.010 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] 320603023 371789778 /nfs/dbraw/zinc/78/97/78/371789778.db2.gz XJAHKBKSGDYNGM-GARJFASQSA-N 2 0 186.343 2.136 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] 320603025 371789799 /nfs/dbraw/zinc/78/97/99/371789799.db2.gz XJAHKBKSGDYNGM-OUAUKWLOSA-N 2 0 186.343 2.136 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 319536739 371789826 /nfs/dbraw/zinc/78/98/26/371789826.db2.gz NAUHYVVIZVAIOD-QJPTWQEYSA-N 2 0 198.354 2.010 20 0 AEADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]C1CCCCC1 320760817 371790675 /nfs/dbraw/zinc/79/06/75/371790675.db2.gz XCRMACGYUMQSLA-ZJUUUORDSA-N 2 0 184.327 2.035 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]C1CCCCC1 320760816 371791079 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/nfs/dbraw/zinc/87/21/56/371872156.db2.gz IQGOYBTZDGZVOB-QJPTWQEYSA-N 2 0 198.354 2.425 20 0 AEADRP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] 643973515 371872167 /nfs/dbraw/zinc/87/21/67/371872167.db2.gz WAZCWWKOAVHECM-VXGBXAGGSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CC1CC1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 643973352 371872184 /nfs/dbraw/zinc/87/21/84/371872184.db2.gz OJEHKQVNCLEOHC-MVWJERBFSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] 643973522 371872222 /nfs/dbraw/zinc/87/22/22/371872222.db2.gz ZOHDCHZEAGXRGJ-IRCOFANPSA-N 2 0 196.338 2.035 20 0 AEADRP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166424 371877805 /nfs/dbraw/zinc/87/78/05/371877805.db2.gz ARJLSEVTQIDIJH-MXWKQRLJSA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166481 371877926 /nfs/dbraw/zinc/87/79/26/371877926.db2.gz NMPZMBWAHAQJCK-WISYIIOYSA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166480 371878598 /nfs/dbraw/zinc/87/85/98/371878598.db2.gz NMPZMBWAHAQJCK-WHOHXGKFSA-N 2 0 196.338 2.035 20 0 AEADRP CC1(C)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166423 371878748 /nfs/dbraw/zinc/87/87/48/371878748.db2.gz ARJLSEVTQIDIJH-GMTAPVOTSA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166478 371879048 /nfs/dbraw/zinc/87/90/48/371879048.db2.gz NMPZMBWAHAQJCK-DDHJBXDOSA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@H]1CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166479 371879124 /nfs/dbraw/zinc/87/91/24/371879124.db2.gz NMPZMBWAHAQJCK-IRCOFANPSA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CC1 644166693 371879937 /nfs/dbraw/zinc/87/99/37/371879937.db2.gz ZAOUEICTRUMUKO-IJLUTSLNSA-N 2 0 196.338 2.035 20 0 AEADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C1CC1 644166692 371880097 /nfs/dbraw/zinc/88/00/97/371880097.db2.gz ZAOUEICTRUMUKO-GRYCIOLGSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 70643952 375335890 /nfs/dbraw/zinc/33/58/90/375335890.db2.gz UKUFFXWKHRQYQJ-XKGSQUFQSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 70643957 375336037 /nfs/dbraw/zinc/33/60/37/375336037.db2.gz UKUFFXWKHRQYQJ-WNYYMSAVSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 70643955 375336138 /nfs/dbraw/zinc/33/61/38/375336138.db2.gz UKUFFXWKHRQYQJ-HBIQZDMRSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 70643951 375336405 /nfs/dbraw/zinc/33/64/05/375336405.db2.gz UKUFFXWKHRQYQJ-YYJSSNLHSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]1CCC[C@H]1[NH2+]C1CCC([NH3+])CC1 83391228 375376276 /nfs/dbraw/zinc/37/62/76/375376276.db2.gz KPPDSQYBXJVEMJ-WNYYMSAVSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 83391223 375375917 /nfs/dbraw/zinc/37/59/17/375375917.db2.gz KPPDSQYBXJVEMJ-XKGSQUFQSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 83391221 375376079 /nfs/dbraw/zinc/37/60/79/375376079.db2.gz KPPDSQYBXJVEMJ-YYJSSNLHSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH3+])CC1 83391226 375376308 /nfs/dbraw/zinc/37/63/08/375376308.db2.gz KPPDSQYBXJVEMJ-HBIQZDMRSA-N 2 0 196.338 2.035 20 0 AEADRP CC(C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 201765685 375409028 /nfs/dbraw/zinc/40/90/28/375409028.db2.gz JHQAATTZGPSYFO-IJLUTSLNSA-N 2 0 198.354 2.281 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 201765706 375409353 /nfs/dbraw/zinc/40/93/53/375409353.db2.gz JHQAATTZGPSYFO-QJPTWQEYSA-N 2 0 198.354 2.281 20 0 AEADRP CCC[C@H]([NH2+]C[C@@H](C)C[NH3+])C1CCC1 324794772 375478527 /nfs/dbraw/zinc/47/85/27/375478527.db2.gz LBGIFTXGAAQRMO-JQWIXIFHSA-N 2 0 198.354 2.140 20 0 AEADRP CCC[C@H]([NH2+]CC(C)(C)[NH3+])C1CCC1 324826728 375478660 /nfs/dbraw/zinc/47/86/60/375478660.db2.gz UGBYYPGCOBIDGV-NSHDSACASA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)[C@H](C)[NH2+]CC1([NH3+])CCCCC1 318950220 375478817 /nfs/dbraw/zinc/47/88/17/375478817.db2.gz CUYZWXGFVUJGSN-NSHDSACASA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@@H]([NH2+]C[C@H](C)C[NH3+])C1CCC1 324794774 375478838 /nfs/dbraw/zinc/47/88/38/375478838.db2.gz LBGIFTXGAAQRMO-ZYHUDNBSSA-N 2 0 198.354 2.140 20 0 AEADRP CCC[C@H]([NH2+]C[C@H](C)C[NH3+])C1CCC1 324794773 375479006 /nfs/dbraw/zinc/47/90/06/375479006.db2.gz LBGIFTXGAAQRMO-PWSUYJOCSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 318950218 375479023 /nfs/dbraw/zinc/47/90/23/375479023.db2.gz CUYZWXGFVUJGSN-LLVKDONJSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1CCC1 324832855 375479077 /nfs/dbraw/zinc/47/90/77/375479077.db2.gz VKCSUHRWTAVVQM-JQWIXIFHSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])C1CCC1 324832856 375479112 /nfs/dbraw/zinc/47/91/12/375479112.db2.gz VKCSUHRWTAVVQM-PWSUYJOCSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1CCC1 324832853 375479118 /nfs/dbraw/zinc/47/91/18/375479118.db2.gz VKCSUHRWTAVVQM-CMPLNLGQSA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1CCC1 324794771 375479140 /nfs/dbraw/zinc/47/91/40/375479140.db2.gz LBGIFTXGAAQRMO-CMPLNLGQSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1CCC1 324832858 375479171 /nfs/dbraw/zinc/47/91/71/375479171.db2.gz VKCSUHRWTAVVQM-ZYHUDNBSSA-N 2 0 198.354 2.282 20 0 AEADRP CCC[C@@H]([NH2+]CC(C)(C)[NH3+])C1CCC1 324826726 375479176 /nfs/dbraw/zinc/47/91/76/375479176.db2.gz UGBYYPGCOBIDGV-LLVKDONJSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCC[NH2+]1 400525511 375507411 /nfs/dbraw/zinc/50/74/11/375507411.db2.gz PXQNSXNKPLAMRX-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCC[NH2+]1 400525517 375507468 /nfs/dbraw/zinc/50/74/68/375507468.db2.gz PXQNSXNKPLAMRX-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)=CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400470971 375507532 /nfs/dbraw/zinc/50/75/32/375507532.db2.gz XWHYMOZBWGDICF-NWDGAFQWSA-N 2 0 196.338 2.073 20 0 AEADRP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400479325 375507583 /nfs/dbraw/zinc/50/75/83/375507583.db2.gz FCWGBOVJDRUGCG-NWDGAFQWSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400522512 375507625 /nfs/dbraw/zinc/50/76/25/375507625.db2.gz OUFRRNYXAKNYLP-YFKTTZPYSA-N 2 0 198.354 2.151 20 0 AEADRP CC(C)CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400479323 375507643 /nfs/dbraw/zinc/50/76/43/375507643.db2.gz FCWGBOVJDRUGCG-NEPJUHHUSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400495135 375507676 /nfs/dbraw/zinc/50/76/76/375507676.db2.gz HFHPFOOQSRMMCU-WOPDTQHZSA-N 2 0 198.354 2.295 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400522509 375507694 /nfs/dbraw/zinc/50/76/94/375507694.db2.gz OUFRRNYXAKNYLP-NNYUYHANSA-N 2 0 198.354 2.151 20 0 AEADRP CC(C)CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400479331 375507785 /nfs/dbraw/zinc/50/77/85/375507785.db2.gz FCWGBOVJDRUGCG-VXGBXAGGSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)=CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400470972 375507820 /nfs/dbraw/zinc/50/78/20/375507820.db2.gz XWHYMOZBWGDICF-RYUDHWBXSA-N 2 0 196.338 2.073 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400522072 375507844 /nfs/dbraw/zinc/50/78/44/375507844.db2.gz OUFRRNYXAKNYLP-BJDJZHNGSA-N 2 0 198.354 2.151 20 0 AEADRP CC(C)=CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400470974 375507863 /nfs/dbraw/zinc/50/78/63/375507863.db2.gz XWHYMOZBWGDICF-VXGBXAGGSA-N 2 0 196.338 2.073 20 0 AEADRP CCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400495130 375507967 /nfs/dbraw/zinc/50/79/67/375507967.db2.gz HFHPFOOQSRMMCU-SDDRHHMPSA-N 2 0 198.354 2.295 20 0 AEADRP CC(C)=CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400470970 375508023 /nfs/dbraw/zinc/50/80/23/375508023.db2.gz XWHYMOZBWGDICF-NEPJUHHUSA-N 2 0 196.338 2.073 20 0 AEADRP C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCC[NH2+]1 400525514 375508032 /nfs/dbraw/zinc/50/80/32/375508032.db2.gz PXQNSXNKPLAMRX-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](CC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400495127 375508228 /nfs/dbraw/zinc/50/82/28/375508228.db2.gz HFHPFOOQSRMMCU-GRYCIOLGSA-N 2 0 198.354 2.295 20 0 AEADRP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400479327 375508246 /nfs/dbraw/zinc/50/82/46/375508246.db2.gz FCWGBOVJDRUGCG-RYUDHWBXSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400522074 375508255 /nfs/dbraw/zinc/50/82/55/375508255.db2.gz OUFRRNYXAKNYLP-FIQHERPVSA-N 2 0 198.354 2.151 20 0 AEADRP CCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400495134 375508281 /nfs/dbraw/zinc/50/82/81/375508281.db2.gz HFHPFOOQSRMMCU-SRVKXCTJSA-N 2 0 198.354 2.295 20 0 AEADRP CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400528636 375508967 /nfs/dbraw/zinc/50/89/67/375508967.db2.gz QYLAIJYFSFLRFM-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400552522 375508983 /nfs/dbraw/zinc/50/89/83/375508983.db2.gz YCWORTMTIQBZGI-SDDRHHMPSA-N 2 0 198.354 2.151 20 0 AEADRP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400535475 375509022 /nfs/dbraw/zinc/50/90/22/375509022.db2.gz TUMUDNKKTWADQR-JQWIXIFHSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400552523 375509042 /nfs/dbraw/zinc/50/90/42/375509042.db2.gz YCWORTMTIQBZGI-SRVKXCTJSA-N 2 0 198.354 2.151 20 0 AEADRP CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400528635 375509068 /nfs/dbraw/zinc/50/90/68/375509068.db2.gz QYLAIJYFSFLRFM-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(CC)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400535478 375509160 /nfs/dbraw/zinc/50/91/60/375509160.db2.gz TUMUDNKKTWADQR-ZYHUDNBSSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400552521 375509212 /nfs/dbraw/zinc/50/92/12/375509212.db2.gz YCWORTMTIQBZGI-QJPTWQEYSA-N 2 0 198.354 2.151 20 0 AEADRP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400535474 375509309 /nfs/dbraw/zinc/50/93/09/375509309.db2.gz TUMUDNKKTWADQR-CMPLNLGQSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400528633 375509349 /nfs/dbraw/zinc/50/93/49/375509349.db2.gz QYLAIJYFSFLRFM-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CCC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400528632 375509528 /nfs/dbraw/zinc/50/95/28/375509528.db2.gz QYLAIJYFSFLRFM-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400552524 375509670 /nfs/dbraw/zinc/50/96/70/375509670.db2.gz YCWORTMTIQBZGI-TUAOUCFPSA-N 2 0 198.354 2.151 20 0 AEADRP C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCC[NH2+]1 400525519 375509751 /nfs/dbraw/zinc/50/97/51/375509751.db2.gz PXQNSXNKPLAMRX-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400535476 375509888 /nfs/dbraw/zinc/50/98/88/375509888.db2.gz TUMUDNKKTWADQR-PWSUYJOCSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(CC)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C 405394358 375536073 /nfs/dbraw/zinc/53/60/73/375536073.db2.gz NPFYDRIVRNENER-WDEREUQCSA-N 2 0 198.354 2.138 20 0 AEADRP CCC(CC)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C 405394353 375536079 /nfs/dbraw/zinc/53/60/79/375536079.db2.gz NPFYDRIVRNENER-MNOVXSKESA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)=CCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C 405401401 375536129 /nfs/dbraw/zinc/53/61/29/375536129.db2.gz QFPSVOCEJHZZDQ-QWRGUYRKSA-N 2 0 196.338 2.058 20 0 AEADRP CC(C)=CCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C 405401402 375536193 /nfs/dbraw/zinc/53/61/93/375536193.db2.gz QFPSVOCEJHZZDQ-WDEREUQCSA-N 2 0 196.338 2.058 20 0 AEADRP CCC(CC)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C 405394350 375536327 /nfs/dbraw/zinc/53/63/27/375536327.db2.gz NPFYDRIVRNENER-GHMZBOCLSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)=CCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C 405401400 375536938 /nfs/dbraw/zinc/53/69/38/375536938.db2.gz QFPSVOCEJHZZDQ-MNOVXSKESA-N 2 0 196.338 2.058 20 0 AEADRP CC(C)=CCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C 405401399 375536978 /nfs/dbraw/zinc/53/69/78/375536978.db2.gz QFPSVOCEJHZZDQ-GHMZBOCLSA-N 2 0 196.338 2.058 20 0 AEADRP CCC(CC)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C 405394356 375537177 /nfs/dbraw/zinc/53/71/77/375537177.db2.gz NPFYDRIVRNENER-QWRGUYRKSA-N 2 0 198.354 2.138 20 0 AEADRP CC1=CC[C@H]([NH2+]CCC[NH+](C)C)CC1 646116643 375576634 /nfs/dbraw/zinc/57/66/34/375576634.db2.gz UBZGTEUOGCIVBF-LBPRGKRZSA-N 2 0 196.338 2.027 20 0 AEADRP CC1=CC[C@@H]([NH2+]CCC[NH+](C)C)CC1 646116642 375576733 /nfs/dbraw/zinc/57/67/33/375576733.db2.gz UBZGTEUOGCIVBF-GFCCVEGCSA-N 2 0 196.338 2.027 20 0 AEADRP CC(C)(C)CCC[NH2+]CC1([NH3+])CCC1 647907583 375674828 /nfs/dbraw/zinc/67/48/28/375674828.db2.gz ARELUEDICRYXRE-UHFFFAOYSA-N 2 0 198.354 2.284 20 0 AEADRP CCC(C)(C)CC[N@H+](C)C1CC([NH3+])C1 647982651 375682425 /nfs/dbraw/zinc/68/24/25/375682425.db2.gz OVMZJQBWQCQWTC-UHFFFAOYSA-N 2 0 198.354 2.234 20 0 AEADRP C[NH2+]CCC[N@H+](CC1CCC1)C(C)C 647991580 375683336 /nfs/dbraw/zinc/68/33/36/375683336.db2.gz OBVFWXGRJXAWBK-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP C[N@H+](CCC(C)(C)C)C1CC[NH2+]CC1 36301353 409318770 /nfs/dbraw/zinc/31/87/70/409318770.db2.gz JFBSNQGORQTSAV-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 36790967 409319220 /nfs/dbraw/zinc/31/92/20/409319220.db2.gz DYXFMTWYJJDFLV-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[C@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 36790969 409319430 /nfs/dbraw/zinc/31/94/30/409319430.db2.gz DYXFMTWYJJDFLV-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[C@@H](C)[N@H+](C)CC1CC[NH2+]CC1 36790955 409319624 /nfs/dbraw/zinc/31/96/24/409319624.db2.gz CJIMEALDUKHDPO-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[C@H](C)[N@H+](C)CC1CC[NH2+]CC1 36790957 409320084 /nfs/dbraw/zinc/32/00/84/409320084.db2.gz CJIMEALDUKHDPO-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP CCC[N@H+](CC)CCC1CC[NH2+]CC1 37095168 409322778 /nfs/dbraw/zinc/32/27/78/409322778.db2.gz CXYLQYUZQWITCQ-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CC[C@@H](C)[N@H+](C)CCC1CC[NH2+]CC1 37110362 409324771 /nfs/dbraw/zinc/32/47/71/409324771.db2.gz DZIYDHNOLQYOKN-LLVKDONJSA-N 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/nfs/dbraw/zinc/42/50/18/409425018.db2.gz MJBZBAVBYQHUCF-GHMZBOCLSA-N 2 0 196.338 2.035 20 0 AEADRP CC(C)C1([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 656199110 409425051 /nfs/dbraw/zinc/42/50/51/409425051.db2.gz MJBZBAVBYQHUCF-MNOVXSKESA-N 2 0 196.338 2.035 20 0 AEADRP CC1(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 656198668 409425282 /nfs/dbraw/zinc/42/52/82/409425282.db2.gz CBGIUSFSVWJROA-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]1CCC[N@H+](CCC[NH2+]C)CC1 70613226 409430664 /nfs/dbraw/zinc/43/06/64/409430664.db2.gz UXEDAZIOFWAQEO-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CC[C@@H]1CCC[N@H+](CCC[NH2+]C)CC1 70613225 409431889 /nfs/dbraw/zinc/43/18/89/409431889.db2.gz UXEDAZIOFWAQEO-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CC[NH2+]C1 656788195 409451692 /nfs/dbraw/zinc/45/16/92/409451692.db2.gz SWLOKIRBDNFYTK-UTUOFQBUSA-N 2 0 198.354 2.153 20 0 AEADRP CCC1(CC)CCC[N@H+](CCC[NH3+])C1 656792418 409451629 /nfs/dbraw/zinc/45/16/29/409451629.db2.gz QAXJMRNMUMCLNI-UHFFFAOYSA-N 2 0 198.354 2.237 20 0 AEADRP CCC[C@@H](CC)[NH2+]CC1([NH3+])CCCC1 656789659 409451868 /nfs/dbraw/zinc/45/18/68/409451868.db2.gz USORQNIURBYBOI-LLVKDONJSA-N 2 0 198.354 2.426 20 0 AEADRP CC(C)CCC[NH2+]CC1([NH3+])CCCC1 656788673 409451933 /nfs/dbraw/zinc/45/19/33/409451933.db2.gz AOWIWAPPCPQHGX-UHFFFAOYSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCCC1 656789565 409451947 /nfs/dbraw/zinc/45/19/47/409451947.db2.gz RASAHBUMYLMIOQ-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP CCC[C@H](CC)[NH2+]CC1([NH3+])CCCC1 656789660 409451958 /nfs/dbraw/zinc/45/19/58/409451958.db2.gz USORQNIURBYBOI-NSHDSACASA-N 2 0 198.354 2.426 20 0 AEADRP CC(C)(C)CC[NH2+]CC1([NH3+])CCCC1 656789740 409452057 /nfs/dbraw/zinc/45/20/57/409452057.db2.gz WTSVQAQECGMANR-UHFFFAOYSA-N 2 0 198.354 2.284 20 0 AEADRP CC(C)C[C@@H](C)[NH2+]CC1([NH3+])CCCC1 656788998 409452077 /nfs/dbraw/zinc/45/20/77/409452077.db2.gz HTWHTSRFMGIKKV-LLVKDONJSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[NH2+]C1 656788193 409452140 /nfs/dbraw/zinc/45/21/40/409452140.db2.gz SWLOKIRBDNFYTK-SRVKXCTJSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCCC1 656789566 409452307 /nfs/dbraw/zinc/45/23/07/409452307.db2.gz RASAHBUMYLMIOQ-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP CCC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 656789570 409452477 /nfs/dbraw/zinc/45/24/77/409452477.db2.gz RBBWBLFMXVBMJQ-SNVBAGLBSA-N 2 0 184.327 2.036 20 0 AEADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)C1CCC1 656789398 409452506 /nfs/dbraw/zinc/45/25/06/409452506.db2.gz NYBAOJFNUSDIIO-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCCC1 656789568 409452659 /nfs/dbraw/zinc/45/26/59/409452659.db2.gz RASAHBUMYLMIOQ-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H](CC1CC1)[NH2+]CC1([NH3+])CCCC1 656789074 409452828 /nfs/dbraw/zinc/45/28/28/409452828.db2.gz IGMFMQSJWAHAFS-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H](C)C[C@@H](CC)[NH2+][C@H]1CC[NH2+]C1 656788194 409452853 /nfs/dbraw/zinc/45/28/53/409452853.db2.gz SWLOKIRBDNFYTK-TUAOUCFPSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H](C)[NH2+]CC1([NH3+])CCCC1 656789569 409452933 /nfs/dbraw/zinc/45/29/33/409452933.db2.gz RBBWBLFMXVBMJQ-JTQLQIEISA-N 2 0 184.327 2.036 20 0 AEADRP CC[C@@H](C[C@H](C)CC)[NH2+][C@H]1CC[NH2+]C1 656788196 409452997 /nfs/dbraw/zinc/45/29/97/409452997.db2.gz SWLOKIRBDNFYTK-WOPDTQHZSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)C1CCC1 656789400 409453028 /nfs/dbraw/zinc/45/30/28/409453028.db2.gz NYBAOJFNUSDIIO-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCCC1 656789567 409453153 /nfs/dbraw/zinc/45/31/53/409453153.db2.gz RASAHBUMYLMIOQ-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1C(C)(C)C 108310506 409459048 /nfs/dbraw/zinc/45/90/48/409459048.db2.gz CXOIJQGDFQNLAE-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 106869011 409456710 /nfs/dbraw/zinc/45/67/10/409456710.db2.gz ZTRVTUPKKGOOCL-VXGBXAGGSA-N 2 0 196.338 2.003 20 0 AEADRP CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 106869012 409457852 /nfs/dbraw/zinc/45/78/52/409457852.db2.gz ZTRVTUPKKGOOCL-NWDGAFQWSA-N 2 0 196.338 2.003 20 0 AEADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(C)(C)C 108310509 409459565 /nfs/dbraw/zinc/45/95/65/409459565.db2.gz CXOIJQGDFQNLAE-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C(C)C 108310503 409459734 /nfs/dbraw/zinc/45/97/34/409459734.db2.gz HWYCNUDTDZGWKO-GFCCVEGCSA-N 2 0 198.354 2.106 20 0 AEADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1C(C)C 108310501 409460198 /nfs/dbraw/zinc/46/01/98/409460198.db2.gz HWYCNUDTDZGWKO-LBPRGKRZSA-N 2 0 198.354 2.106 20 0 AEADRP CC(C)CC[N@H+](CC(C)(C)[NH3+])C1CC1 109279742 409461622 /nfs/dbraw/zinc/46/16/22/409461622.db2.gz MBGDDVAJVPPYAM-UHFFFAOYSA-N 2 0 198.354 2.234 20 0 AEADRP C[NH2+]CCC[N@H+](CCC(C)C)C1CC1 109278880 409461974 /nfs/dbraw/zinc/46/19/74/409461974.db2.gz ZNWGVLRAOXTSRF-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP CCC(C)(C)[NH2+]Cc1cnc(C)n1C 657339241 409472028 /nfs/dbraw/zinc/47/20/28/409472028.db2.gz PXEYGMDHBGODOM-UHFFFAOYSA-N 2 0 195.310 2.007 20 0 AEADRP CCC(CC)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 126772981 409474855 /nfs/dbraw/zinc/47/48/55/409474855.db2.gz RFPAQRWKDFZLJA-JQWIXIFHSA-N 2 0 198.354 2.092 20 0 AEADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(C)(C)C 126733860 409474918 /nfs/dbraw/zinc/47/49/18/409474918.db2.gz BLUBIDIDMXYTKZ-WDEREUQCSA-N 2 0 198.354 2.092 20 0 AEADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(C)(C)C 126734296 409475338 /nfs/dbraw/zinc/47/53/38/409475338.db2.gz BLUBIDIDMXYTKZ-QWRGUYRKSA-N 2 0 198.354 2.092 20 0 AEADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(C)(C)C 126734090 409475423 /nfs/dbraw/zinc/47/54/23/409475423.db2.gz BLUBIDIDMXYTKZ-MNOVXSKESA-N 2 0 198.354 2.092 20 0 AEADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(C)(C)C 126733649 409476201 /nfs/dbraw/zinc/47/62/01/409476201.db2.gz BLUBIDIDMXYTKZ-GHMZBOCLSA-N 2 0 198.354 2.092 20 0 AEADRP CCC(CC)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 126773227 409477279 /nfs/dbraw/zinc/47/72/79/409477279.db2.gz RFPAQRWKDFZLJA-CMPLNLGQSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@@H](C)C1 129379055 409479882 /nfs/dbraw/zinc/47/98/82/409479882.db2.gz FSGOOUQNSJTELS-VXGBXAGGSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@H]1CC[C@@H](C)C1 129378606 409480281 /nfs/dbraw/zinc/48/02/81/409480281.db2.gz FSGOOUQNSJTELS-NEPJUHHUSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H]1CCC(C)(C)C1 129560804 409480415 /nfs/dbraw/zinc/48/04/15/409480415.db2.gz BULYYDGIWIYHQW-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@H]1CC[C@H](C)C1 129378822 409480910 /nfs/dbraw/zinc/48/09/10/409480910.db2.gz FSGOOUQNSJTELS-RYUDHWBXSA-N 2 0 198.354 2.153 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H]1CCC(C)(C)C1 129560990 409481162 /nfs/dbraw/zinc/48/11/62/409481162.db2.gz BULYYDGIWIYHQW-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@H](C)C1 129379275 409481681 /nfs/dbraw/zinc/48/16/81/409481681.db2.gz FSGOOUQNSJTELS-NWDGAFQWSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(CC)C[N@H+](C)C1CC[NH2+]CC1 129270423 409481707 /nfs/dbraw/zinc/48/17/07/409481707.db2.gz NMTKMCZDFUPRFG-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP CCC(CC)C[NH2+]CC1([NH3+])CCCC1 130429506 409482786 /nfs/dbraw/zinc/48/27/86/409482786.db2.gz NUDZNQYPYUUKBR-UHFFFAOYSA-N 2 0 198.354 2.284 20 0 AEADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC1CCC1 133299921 409493283 /nfs/dbraw/zinc/49/32/83/409493283.db2.gz MIZATFQQJBTWDL-GFCCVEGCSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC1CCC1 133300089 409493447 /nfs/dbraw/zinc/49/34/47/409493447.db2.gz MIZATFQQJBTWDL-LBPRGKRZSA-N 2 0 198.354 2.092 20 0 AEADRP CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 134090895 409499458 /nfs/dbraw/zinc/49/94/58/409499458.db2.gz WYQVEGUUHOWXQB-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCC[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 134090694 409499915 /nfs/dbraw/zinc/49/99/15/409499915.db2.gz WYQVEGUUHOWXQB-NEPJUHHUSA-N 2 0 198.354 2.236 20 0 AEADRP CC[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C 134161800 409500112 /nfs/dbraw/zinc/50/01/12/409500112.db2.gz BWBIMQWSVBOFNN-MNOVXSKESA-N 2 0 186.343 2.090 20 0 AEADRP CC[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C 134161981 409500144 /nfs/dbraw/zinc/50/01/44/409500144.db2.gz BWBIMQWSVBOFNN-QWRGUYRKSA-N 2 0 186.343 2.090 20 0 AEADRP CCCCC[NH2+][C@H]1CC[NH2+]CC1(C)C 167919146 409504248 /nfs/dbraw/zinc/50/42/48/409504248.db2.gz DZGDZODTDPNVHH-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP CCCCC[NH2+][C@@H]1CC[NH2+]CC1(C)C 167919039 409504279 /nfs/dbraw/zinc/50/42/79/409504279.db2.gz DZGDZODTDPNVHH-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C(C)(C)C 219725862 409516627 /nfs/dbraw/zinc/51/66/27/409516627.db2.gz JXUOSSKKUVGCCM-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C(C)(C)C 219725792 409517325 /nfs/dbraw/zinc/51/73/25/409517325.db2.gz JXUOSSKKUVGCCM-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP CC(C)(C)CCC[N@@H+]1CCC[NH2+]CC1 300858772 409535887 /nfs/dbraw/zinc/53/58/87/409535887.db2.gz NGZYPOVPBWPYIN-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1[NH3+] 300839160 409537964 /nfs/dbraw/zinc/53/79/64/409537964.db2.gz JLZSFXWBKCLKQO-GHMZBOCLSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)C[C@H](C)C[NH+]1CCC([NH3+])CC1 300739941 409536208 /nfs/dbraw/zinc/53/62/08/409536208.db2.gz ASPPHNKUGIIRJT-NSHDSACASA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)(C)CCC[NH+]1CCC([NH3+])CC1 300878604 409536409 /nfs/dbraw/zinc/53/64/09/409536409.db2.gz RCNTZOGBIJCHSB-UHFFFAOYSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)C[C@@H](C)C[NH+]1CCC([NH3+])CC1 300739937 409536564 /nfs/dbraw/zinc/53/65/64/409536564.db2.gz ASPPHNKUGIIRJT-LLVKDONJSA-N 2 0 198.354 2.092 20 0 AEADRP C[N@H+](CCC[NH3+])CCCC(C)(C)C 300860518 409536626 /nfs/dbraw/zinc/53/66/26/409536626.db2.gz NNRNLDLZYUAVNU-UHFFFAOYSA-N 2 0 186.343 2.093 20 0 AEADRP CC(C)(C)CCC[N@@H+]1CC[C@H](C[NH3+])C1 300821313 409537651 /nfs/dbraw/zinc/53/76/51/409537651.db2.gz HBJGTIWGWJHATD-LLVKDONJSA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)(C)CCC[N@@H+]1CC[C@@H](C[NH3+])C1 300821316 409538301 /nfs/dbraw/zinc/53/83/01/409538301.db2.gz HBJGTIWGWJHATD-NSHDSACASA-N 2 0 198.354 2.093 20 0 AEADRP CC(C)(C)CC[NH+]1CCC(C)([NH3+])CC1 306265527 409550587 /nfs/dbraw/zinc/55/05/87/409550587.db2.gz DCRDAJATDPEYQS-UHFFFAOYSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)([NH3+])C[NH2+][C@@H]1CCCC(C)(C)C1 306260785 409551055 /nfs/dbraw/zinc/55/10/55/409551055.db2.gz VMFLPTNTHKGNCR-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)([NH3+])C[NH2+][C@H]1CCCC(C)(C)C1 306260784 409551635 /nfs/dbraw/zinc/55/16/35/409551635.db2.gz VMFLPTNTHKGNCR-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP CC(C)C[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 307811119 409672671 /nfs/dbraw/zinc/67/26/71/409672671.db2.gz NSHMMVPDQNTENB-LLVKDONJSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 307811120 409673174 /nfs/dbraw/zinc/67/31/74/409673174.db2.gz NSHMMVPDQNTENB-NSHDSACASA-N 2 0 198.354 2.092 20 0 AEADRP CCCCC[NH2+][C@@H](C)CCCC[NH3+] 308118817 409684133 /nfs/dbraw/zinc/68/41/33/409684133.db2.gz BTFVQQVNBVGIRA-NSHDSACASA-N 2 0 186.343 2.284 20 0 AEADRP CCCCC[NH2+][C@H](C)CCCC[NH3+] 308118816 409685318 /nfs/dbraw/zinc/68/53/18/409685318.db2.gz BTFVQQVNBVGIRA-LLVKDONJSA-N 2 0 186.343 2.284 20 0 AEADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(C)C 308146853 409686818 /nfs/dbraw/zinc/68/68/18/409686818.db2.gz ZONHDXPRGYHQHG-WDEREUQCSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])C(C)C 308146849 409687678 /nfs/dbraw/zinc/68/76/78/409687678.db2.gz ZONHDXPRGYHQHG-GHMZBOCLSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])C(C)C 308146852 409687764 /nfs/dbraw/zinc/68/77/64/409687764.db2.gz ZONHDXPRGYHQHG-QWRGUYRKSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])C(C)C 308146851 409688678 /nfs/dbraw/zinc/68/86/78/409688678.db2.gz ZONHDXPRGYHQHG-MNOVXSKESA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)=CCC[NH+]1CCC(C[NH3+])CC1 662235341 409701879 /nfs/dbraw/zinc/70/18/79/409701879.db2.gz QUBYUALBVNAKON-UHFFFAOYSA-N 2 0 196.338 2.013 20 0 AEADRP CC(C)=CCC[N@@H+](C)C1CC[NH2+]CC1 662238768 409703533 /nfs/dbraw/zinc/70/35/33/409703533.db2.gz VXWVTWWWTTVMLE-UHFFFAOYSA-N 2 0 196.338 2.027 20 0 AEADRP CC(C)=CCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 662267525 409704821 /nfs/dbraw/zinc/70/48/21/409704821.db2.gz WGTOXAKMOBJNQR-VXGBXAGGSA-N 2 0 196.338 2.012 20 0 AEADRP CC(C)=CCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 662265530 409704922 /nfs/dbraw/zinc/70/49/22/409704922.db2.gz QQIKXSFJFVYJSP-NWDGAFQWSA-N 2 0 196.338 2.012 20 0 AEADRP [NH3+]C1(C[NH2+]CCCC2CCC2)CCC1 662266712 409705291 /nfs/dbraw/zinc/70/52/91/409705291.db2.gz OFZZUDGSYIVQEV-UHFFFAOYSA-N 2 0 196.338 2.038 20 0 AEADRP CC(C)=CCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 662274042 409705913 /nfs/dbraw/zinc/70/59/13/409705913.db2.gz SMMNVSIAFFQLNY-LBPRGKRZSA-N 2 0 196.338 2.013 20 0 AEADRP CC(C)=CCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 662265531 409706049 /nfs/dbraw/zinc/70/60/49/409706049.db2.gz QQIKXSFJFVYJSP-RYUDHWBXSA-N 2 0 196.338 2.012 20 0 AEADRP CC(C)=CCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 662267523 409706164 /nfs/dbraw/zinc/70/61/64/409706164.db2.gz WGTOXAKMOBJNQR-NWDGAFQWSA-N 2 0 196.338 2.012 20 0 AEADRP CC(C)=CCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 662265532 409706610 /nfs/dbraw/zinc/70/66/10/409706610.db2.gz QQIKXSFJFVYJSP-VXGBXAGGSA-N 2 0 196.338 2.012 20 0 AEADRP CC(C)=CCC[NH+]1CCC(C)([NH3+])CC1 662271531 409707165 /nfs/dbraw/zinc/70/71/65/409707165.db2.gz VWUDXNDZJXKOJN-UHFFFAOYSA-N 2 0 196.338 2.156 20 0 AEADRP CC(C)=CCC[N@@H+](C)CC(C)(C)C[NH3+] 662247939 409707659 /nfs/dbraw/zinc/70/76/59/409707659.db2.gz PEMPTXVLLVOJMM-UHFFFAOYSA-N 2 0 198.354 2.259 20 0 AEADRP CC(C)=CCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C 662265528 409707788 /nfs/dbraw/zinc/70/77/88/409707788.db2.gz QQIKXSFJFVYJSP-NEPJUHHUSA-N 2 0 196.338 2.012 20 0 AEADRP CC(C)=CCC[N@@H+]1CC[C@](C)(C[NH3+])C1 662274041 409708122 /nfs/dbraw/zinc/70/81/22/409708122.db2.gz SMMNVSIAFFQLNY-GFCCVEGCSA-N 2 0 196.338 2.013 20 0 AEADRP CC(C)=CCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 662267522 409708519 /nfs/dbraw/zinc/70/85/19/409708519.db2.gz WGTOXAKMOBJNQR-NEPJUHHUSA-N 2 0 196.338 2.012 20 0 AEADRP CC(C)=CCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 662267524 409708582 /nfs/dbraw/zinc/70/85/82/409708582.db2.gz WGTOXAKMOBJNQR-RYUDHWBXSA-N 2 0 196.338 2.012 20 0 AEADRP C[NH2+]CCC[N@H+](C)CCCC1CCC1 662280923 409710523 /nfs/dbraw/zinc/71/05/23/409710523.db2.gz HTSYFFKIJQVQDT-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP CC(C)=CCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] 662282195 409710651 /nfs/dbraw/zinc/71/06/51/409710651.db2.gz DHPBHFKQNRYDTO-VXGBXAGGSA-N 2 0 196.338 2.202 20 0 AEADRP C[N@H+](CCCC1CCC1)CC(C)(C)[NH3+] 662296123 409711503 /nfs/dbraw/zinc/71/15/03/409711503.db2.gz WETLCBAVEOPBDH-UHFFFAOYSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)=CCC[N@@H+](C)CC(C)(C)[NH3+] 662296129 409712352 /nfs/dbraw/zinc/71/23/52/409712352.db2.gz WFMUWZOEGYHALH-UHFFFAOYSA-N 2 0 184.327 2.012 20 0 AEADRP CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] 662313709 409714549 /nfs/dbraw/zinc/71/45/49/409714549.db2.gz XRZKQPCCAAJQNM-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP CC[C@@H]1CCC[C@H](C)[N@@H+]1CCC[NH2+]C 662318830 409714757 /nfs/dbraw/zinc/71/47/57/409714757.db2.gz HHVNVOULDRVEIA-NWDGAFQWSA-N 2 0 198.354 2.249 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)C1CCCC1 308467184 409724812 /nfs/dbraw/zinc/72/48/12/409724812.db2.gz AHUGMBHBCDEGNO-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccco1 308549082 409732915 /nfs/dbraw/zinc/73/29/15/409732915.db2.gz QTWATMYXISEEOA-UWVGGRQHSA-N 2 0 196.294 2.058 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccco1 308549084 409733196 /nfs/dbraw/zinc/73/31/96/409733196.db2.gz QTWATMYXISEEOA-VHSXEESVSA-N 2 0 196.294 2.058 20 0 AEADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccco1 308549079 409733243 /nfs/dbraw/zinc/73/32/43/409733243.db2.gz QTWATMYXISEEOA-NXEZZACHSA-N 2 0 196.294 2.058 20 0 AEADRP C[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccco1 308549086 409733830 /nfs/dbraw/zinc/73/38/30/409733830.db2.gz QTWATMYXISEEOA-ZJUUUORDSA-N 2 0 196.294 2.058 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC1(C)C 308560595 409736137 /nfs/dbraw/zinc/73/61/37/409736137.db2.gz XCGGZTWGUICIBC-LLVKDONJSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCC1(C)C 308560596 409736454 /nfs/dbraw/zinc/73/64/54/409736454.db2.gz XCGGZTWGUICIBC-NSHDSACASA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)C[NH3+] 308560767 409736822 /nfs/dbraw/zinc/73/68/22/409736822.db2.gz FCIBXQJETHQYNA-IJLUTSLNSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)C[NH3+] 308560769 409736971 /nfs/dbraw/zinc/73/69/71/409736971.db2.gz FCIBXQJETHQYNA-TUAOUCFPSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)C[NH3+] 308560768 409737468 /nfs/dbraw/zinc/73/74/68/409737468.db2.gz FCIBXQJETHQYNA-QJPTWQEYSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)C[NH3+] 308560770 409737831 /nfs/dbraw/zinc/73/78/31/409737831.db2.gz FCIBXQJETHQYNA-UTUOFQBUSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC=CCC1 308635289 409743692 /nfs/dbraw/zinc/74/36/92/409743692.db2.gz ASDCUSQRRGKXJB-NWDGAFQWSA-N 2 0 196.338 2.202 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC=CCC1 308635286 409743732 /nfs/dbraw/zinc/74/37/32/409743732.db2.gz ASDCUSQRRGKXJB-NEPJUHHUSA-N 2 0 196.338 2.202 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC=CCC1 308635295 409744169 /nfs/dbraw/zinc/74/41/69/409744169.db2.gz ASDCUSQRRGKXJB-VXGBXAGGSA-N 2 0 196.338 2.202 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CC1(C)C 308639387 409744269 /nfs/dbraw/zinc/74/42/69/409744269.db2.gz CFRRMIMOGJTUDA-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CC1(C)C 308639389 409744499 /nfs/dbraw/zinc/74/44/99/409744499.db2.gz CFRRMIMOGJTUDA-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CC1(C)C 308639392 409744660 /nfs/dbraw/zinc/74/46/60/409744660.db2.gz CFRRMIMOGJTUDA-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC=CCC1 308635292 409744753 /nfs/dbraw/zinc/74/47/53/409744753.db2.gz ASDCUSQRRGKXJB-RYUDHWBXSA-N 2 0 196.338 2.202 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CC1(C)C 308639390 409744986 /nfs/dbraw/zinc/74/49/86/409744986.db2.gz CFRRMIMOGJTUDA-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC1(C)C 308653889 409746224 /nfs/dbraw/zinc/74/62/24/409746224.db2.gz MFLIASWBKRNEBC-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCC1(C)C 308653891 409746869 /nfs/dbraw/zinc/74/68/69/409746869.db2.gz MFLIASWBKRNEBC-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC1(C)C 308653890 409747531 /nfs/dbraw/zinc/74/75/31/409747531.db2.gz MFLIASWBKRNEBC-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCC1(C)C 308653892 409748001 /nfs/dbraw/zinc/74/80/01/409748001.db2.gz MFLIASWBKRNEBC-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[NH2+]CCC[N@@H+]1C[C@H](C)CCC[C@@H]1C 308852778 409755489 /nfs/dbraw/zinc/75/54/89/409755489.db2.gz FPEUSYGHBCSOAO-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP C[NH2+]CCC[N@@H+]1C[C@H](C)CCC[C@H]1C 308852783 409755582 /nfs/dbraw/zinc/75/55/82/409755582.db2.gz FPEUSYGHBCSOAO-VXGBXAGGSA-N 2 0 198.354 2.106 20 0 AEADRP C[NH2+]CCC[N@@H+]1C[C@@H](C)CCC[C@H]1C 308852780 409755641 /nfs/dbraw/zinc/75/56/41/409755641.db2.gz FPEUSYGHBCSOAO-NWDGAFQWSA-N 2 0 198.354 2.106 20 0 AEADRP C[NH2+]CCC[N@@H+]1C[C@@H](C)CCC[C@@H]1C 308852781 409756638 /nfs/dbraw/zinc/75/66/38/409756638.db2.gz FPEUSYGHBCSOAO-RYUDHWBXSA-N 2 0 198.354 2.106 20 0 AEADRP CCC[C@H]1CCC[N@H+](CCC[NH2+]C)C1 308908224 409759869 /nfs/dbraw/zinc/75/98/69/409759869.db2.gz QHWQOTYFZLZYAB-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CC(C)C(C)(C)[NH2+]CC1CC[NH2+]CC1 308916876 409760737 /nfs/dbraw/zinc/76/07/37/409760737.db2.gz HRQJELGJIKOTGB-UHFFFAOYSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 308908223 409761337 /nfs/dbraw/zinc/76/13/37/409761337.db2.gz QHWQOTYFZLZYAB-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP CC(C)CCC[NH+]1CCC(C)([NH3+])CC1 309144699 409770927 /nfs/dbraw/zinc/77/09/27/409770927.db2.gz UVFMTPOHVXWIPI-UHFFFAOYSA-N 2 0 198.354 2.236 20 0 AEADRP CCC(C)(C)CC[NH+]1CCC([NH3+])CC1 309102774 409772219 /nfs/dbraw/zinc/77/22/19/409772219.db2.gz GPLCDSUCBLRIJH-UHFFFAOYSA-N 2 0 198.354 2.236 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C 663509187 409787606 /nfs/dbraw/zinc/78/76/06/409787606.db2.gz IASBSYUKTJVEGI-SDDRHHMPSA-N 2 0 198.354 2.010 20 0 AEADRP CCCC(CCC)[NH2+][C@@H](C)C[NH2+]C 663509196 409788148 /nfs/dbraw/zinc/78/81/48/409788148.db2.gz IBFGCJCDKBXFPM-JTQLQIEISA-N 2 0 186.343 2.153 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C 663509186 409788470 /nfs/dbraw/zinc/78/84/70/409788470.db2.gz IASBSYUKTJVEGI-GRYCIOLGSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 663510022 409788495 /nfs/dbraw/zinc/78/84/95/409788495.db2.gz NSGSZQPNXLOGHQ-MXWKQRLJSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C 663509189 409788670 /nfs/dbraw/zinc/78/86/70/409788670.db2.gz IASBSYUKTJVEGI-WOPDTQHZSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 663509971 409789399 /nfs/dbraw/zinc/78/93/99/409789399.db2.gz BOVTUDANXOHBRR-FIQHERPVSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 663510020 409789567 /nfs/dbraw/zinc/78/95/67/409789567.db2.gz NSGSZQPNXLOGHQ-DCAQKATOSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 663509982 409789792 /nfs/dbraw/zinc/78/97/92/409789792.db2.gz BOVTUDANXOHBRR-WISYIIOYSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 663509977 409789814 /nfs/dbraw/zinc/78/98/14/409789814.db2.gz BOVTUDANXOHBRR-WHOHXGKFSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 663510023 409789900 /nfs/dbraw/zinc/78/99/00/409789900.db2.gz NSGSZQPNXLOGHQ-WHOHXGKFSA-N 2 0 198.354 2.009 20 0 AEADRP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH2+]C)C1 663509853 409789956 /nfs/dbraw/zinc/78/99/56/409789956.db2.gz MVEIBJOUEFTWPQ-UTUOFQBUSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C 663509188 409790329 /nfs/dbraw/zinc/79/03/29/409790329.db2.gz IASBSYUKTJVEGI-SRVKXCTJSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 663509974 409790472 /nfs/dbraw/zinc/79/04/72/409790472.db2.gz BOVTUDANXOHBRR-NOOOWODRSA-N 2 0 198.354 2.009 20 0 AEADRP CCCC(CCC)[NH2+][C@H](C)C[NH2+]C 663509197 409790556 /nfs/dbraw/zinc/79/05/56/409790556.db2.gz IBFGCJCDKBXFPM-SNVBAGLBSA-N 2 0 186.343 2.153 20 0 AEADRP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH2+]C)C1 663509848 409790657 /nfs/dbraw/zinc/79/06/57/409790657.db2.gz MVEIBJOUEFTWPQ-QJPTWQEYSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH2+]C)C1 663509846 409790978 /nfs/dbraw/zinc/79/09/78/409790978.db2.gz MVEIBJOUEFTWPQ-IJLUTSLNSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 663510021 409791131 /nfs/dbraw/zinc/79/11/31/409791131.db2.gz NSGSZQPNXLOGHQ-KXNHARMFSA-N 2 0 198.354 2.009 20 0 AEADRP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH2+]C)C1 663509851 409791165 /nfs/dbraw/zinc/79/11/65/409791165.db2.gz MVEIBJOUEFTWPQ-TUAOUCFPSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@H]1C(C)C 663514780 409792263 /nfs/dbraw/zinc/79/22/63/409792263.db2.gz SZFIOWMYSKUYCH-SRVKXCTJSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C(C)C 663514782 409793954 /nfs/dbraw/zinc/79/39/54/409793954.db2.gz SZFIOWMYSKUYCH-TUAOUCFPSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C(C)C 663514777 409794138 /nfs/dbraw/zinc/79/41/38/409794138.db2.gz SZFIOWMYSKUYCH-QJPTWQEYSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C(C)C 663514779 409794227 /nfs/dbraw/zinc/79/42/27/409794227.db2.gz SZFIOWMYSKUYCH-SDDRHHMPSA-N 2 0 198.354 2.009 20 0 AEADRP CC(C)=CC[NH2+][C@@H](C)CCCC[NH3+] 379346350 409828498 /nfs/dbraw/zinc/82/84/98/409828498.db2.gz WPJUPMGLIZSCGI-NSHDSACASA-N 2 0 184.327 2.060 20 0 AEADRP CC(C)[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] 379345342 409828796 /nfs/dbraw/zinc/82/87/96/409828796.db2.gz CGALRNALIYRJLY-GHMZBOCLSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)=CC[NH2+][C@H](C)CCCC[NH3+] 379346349 409829304 /nfs/dbraw/zinc/82/93/04/409829304.db2.gz WPJUPMGLIZSCGI-LLVKDONJSA-N 2 0 184.327 2.060 20 0 AEADRP CC(C)[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] 379345344 409829918 /nfs/dbraw/zinc/82/99/18/409829918.db2.gz CGALRNALIYRJLY-QWRGUYRKSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] 379345346 409830106 /nfs/dbraw/zinc/83/01/06/409830106.db2.gz CGALRNALIYRJLY-WDEREUQCSA-N 2 0 186.343 2.138 20 0 AEADRP CC(C)[C@H](C)[NH2+][C@H](C)CCCC[NH3+] 379345343 409830146 /nfs/dbraw/zinc/83/01/46/409830146.db2.gz CGALRNALIYRJLY-MNOVXSKESA-N 2 0 186.343 2.138 20 0 AEADRP C[C@H]([NH2+][C@H](C)CCC[NH3+])C1CCCC1 379485094 409846660 /nfs/dbraw/zinc/84/66/60/409846660.db2.gz AHUGMBHBCDEGNO-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)C1CCCC1 379485096 409847486 /nfs/dbraw/zinc/84/74/86/409847486.db2.gz AHUGMBHBCDEGNO-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)C1CC1 379533124 409848327 /nfs/dbraw/zinc/84/83/27/409848327.db2.gz JYGIOEBHEMVOIW-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]CCCC1CC1 379563418 409848679 /nfs/dbraw/zinc/84/86/79/409848679.db2.gz ACELMCCXPZIHSM-LLVKDONJSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]CCCC1CC1 379563419 409849251 /nfs/dbraw/zinc/84/92/51/409849251.db2.gz ACELMCCXPZIHSM-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP C[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1CC1 379533115 409849508 /nfs/dbraw/zinc/84/95/08/409849508.db2.gz JYGIOEBHEMVOIW-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)C1CC1 379533123 409849519 /nfs/dbraw/zinc/84/95/19/409849519.db2.gz JYGIOEBHEMVOIW-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](C)C1CC1 379533122 409850136 /nfs/dbraw/zinc/85/01/36/409850136.db2.gz JYGIOEBHEMVOIW-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 665237600 409851654 /nfs/dbraw/zinc/85/16/54/409851654.db2.gz FHOHCLCSWBJTDW-SDDRHHMPSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 665237994 409851889 /nfs/dbraw/zinc/85/18/89/409851889.db2.gz OGFOHJWFARILMC-QJPTWQEYSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 665237995 409852323 /nfs/dbraw/zinc/85/23/23/409852323.db2.gz OGFOHJWFARILMC-SDDRHHMPSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 665237602 409852402 /nfs/dbraw/zinc/85/24/02/409852402.db2.gz FHOHCLCSWBJTDW-TUAOUCFPSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H](C)CC[NH2+][C@H](C)C[C@@H](C)[NH3+] 665238013 409852438 /nfs/dbraw/zinc/85/24/38/409852438.db2.gz OLSINEGDNJXPFB-HBNTYKKESA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H](C)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 665237997 409852483 /nfs/dbraw/zinc/85/24/83/409852483.db2.gz OGFOHJWFARILMC-TUAOUCFPSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] 665238010 409852777 /nfs/dbraw/zinc/85/27/77/409852777.db2.gz OLSINEGDNJXPFB-AXFHLTTASA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H](C)CC[NH2+][C@H](C)C[C@H](C)[NH3+] 665238012 409852808 /nfs/dbraw/zinc/85/28/08/409852808.db2.gz OLSINEGDNJXPFB-GARJFASQSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H](C)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 665237601 409853259 /nfs/dbraw/zinc/85/32/59/409853259.db2.gz FHOHCLCSWBJTDW-SRVKXCTJSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H](C)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] 665237996 409853545 /nfs/dbraw/zinc/85/35/45/409853545.db2.gz OGFOHJWFARILMC-SRVKXCTJSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)CC[NH2+][C@@H](C)C[C@H](C)[NH3+] 665238011 409854207 /nfs/dbraw/zinc/85/42/07/409854207.db2.gz OLSINEGDNJXPFB-DCAQKATOSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 665237599 409854571 /nfs/dbraw/zinc/85/45/71/409854571.db2.gz FHOHCLCSWBJTDW-QJPTWQEYSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)[NH3+] 379613607 409855083 /nfs/dbraw/zinc/85/50/83/409855083.db2.gz WVVXZPXHNKYVGV-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[NH3+] 379613603 409855938 /nfs/dbraw/zinc/85/59/38/409855938.db2.gz WVVXZPXHNKYVGV-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H](C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 665238481 409855967 /nfs/dbraw/zinc/85/59/67/409855967.db2.gz ZHIILYCUPYRBON-UTUOFQBUSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 665238479 409856430 /nfs/dbraw/zinc/85/64/30/409856430.db2.gz ZHIILYCUPYRBON-SRVKXCTJSA-N 2 0 198.354 2.153 20 0 AEADRP CCCC[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 665241263 409856513 /nfs/dbraw/zinc/85/65/13/409856513.db2.gz GKIDLYUSVQOVAA-UTUOFQBUSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)[NH3+] 379613590 409856633 /nfs/dbraw/zinc/85/66/33/409856633.db2.gz WVVXZPXHNKYVGV-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CCCC[C@@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C1 665241264 409856664 /nfs/dbraw/zinc/85/66/64/409856664.db2.gz GKIDLYUSVQOVAA-WOPDTQHZSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 665238477 409856933 /nfs/dbraw/zinc/85/69/33/409856933.db2.gz ZHIILYCUPYRBON-QJPTWQEYSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[NH3+] 379613594 409856937 /nfs/dbraw/zinc/85/69/37/409856937.db2.gz WVVXZPXHNKYVGV-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H](C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 665238475 409857091 /nfs/dbraw/zinc/85/70/91/409857091.db2.gz ZHIILYCUPYRBON-GRYCIOLGSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 665238480 409857428 /nfs/dbraw/zinc/85/74/28/409857428.db2.gz ZHIILYCUPYRBON-TUAOUCFPSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 665238478 409858025 /nfs/dbraw/zinc/85/80/25/409858025.db2.gz ZHIILYCUPYRBON-SDDRHHMPSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H](C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 665238476 409858521 /nfs/dbraw/zinc/85/85/21/409858521.db2.gz ZHIILYCUPYRBON-IJLUTSLNSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H](C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 665238482 409858750 /nfs/dbraw/zinc/85/87/50/409858750.db2.gz ZHIILYCUPYRBON-WOPDTQHZSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC(C)(C)C1 379624086 409858926 /nfs/dbraw/zinc/85/89/26/409858926.db2.gz IOFYTDZYBFYBPU-GHMZBOCLSA-N 2 0 198.354 2.140 20 0 AEADRP C[C@H](C[NH2+]C1CCCCC1)C[NH+](C)C 379636495 409859141 /nfs/dbraw/zinc/85/91/41/409859141.db2.gz RFISWTKVNGGAOL-LLVKDONJSA-N 2 0 198.354 2.106 20 0 AEADRP C[C@@H](C[NH2+]C1CCCCC1)C[NH+](C)C 379636496 409859420 /nfs/dbraw/zinc/85/94/20/409859420.db2.gz RFISWTKVNGGAOL-NSHDSACASA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@H]1CC[C@H]1[NH2+]CC1([NH3+])CCCC1 665247300 409859725 /nfs/dbraw/zinc/85/97/25/409859725.db2.gz ZUZKHQUJTLQFFV-WDEREUQCSA-N 2 0 196.338 2.036 20 0 AEADRP CCC[C@@H](C)[C@@H](CC)[NH2+][C@H]1CC[NH2+]C1 665243659 409860175 /nfs/dbraw/zinc/86/01/75/409860175.db2.gz PQJBMHGDQGCODL-GRYCIOLGSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH3+])CCCC1 665247298 409860270 /nfs/dbraw/zinc/86/02/70/409860270.db2.gz ZUZKHQUJTLQFFV-MNOVXSKESA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCC(C)(C)C1 379624087 409860286 /nfs/dbraw/zinc/86/02/86/409860286.db2.gz IOFYTDZYBFYBPU-MNOVXSKESA-N 2 0 198.354 2.140 20 0 AEADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCC(C)(C)C1 379624096 409860843 /nfs/dbraw/zinc/86/08/43/409860843.db2.gz IOFYTDZYBFYBPU-WDEREUQCSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCCC1 665250363 409860937 /nfs/dbraw/zinc/86/09/37/409860937.db2.gz PBINKCVDEOFINE-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCC(C)(C)C1 379624094 409861038 /nfs/dbraw/zinc/86/10/38/409861038.db2.gz IOFYTDZYBFYBPU-QWRGUYRKSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)C(C)C 665250683 409861085 /nfs/dbraw/zinc/86/10/85/409861085.db2.gz ZHLJQFNCFSQXTP-LLVKDONJSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCCC1 665250360 409861120 /nfs/dbraw/zinc/86/11/20/409861120.db2.gz PBINKCVDEOFINE-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]1CC[C@@H]1[NH2+]CC1([NH3+])CCCC1 665247299 409861225 /nfs/dbraw/zinc/86/12/25/409861225.db2.gz ZUZKHQUJTLQFFV-QWRGUYRKSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CCCC1 665250362 409861366 /nfs/dbraw/zinc/86/13/66/409861366.db2.gz PBINKCVDEOFINE-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)C1CC1 665249807 409861567 /nfs/dbraw/zinc/86/15/67/409861567.db2.gz ZQUIZYCXZSNZNT-LLVKDONJSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]([NH2+]CC1([NH3+])CCCC1)C(C)C 665250684 409861690 /nfs/dbraw/zinc/86/16/90/409861690.db2.gz ZHLJQFNCFSQXTP-NSHDSACASA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH3+])CCCC1 665247297 409861744 /nfs/dbraw/zinc/86/17/44/409861744.db2.gz ZUZKHQUJTLQFFV-GHMZBOCLSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]([NH2+]CC1([NH3+])CCCC1)C1CC1 665249808 409862212 /nfs/dbraw/zinc/86/22/12/409862212.db2.gz ZQUIZYCXZSNZNT-NSHDSACASA-N 2 0 196.338 2.036 20 0 AEADRP CCC[C@@H](C)[C@H](CC)[NH2+][C@H]1CC[NH2+]C1 665243660 409862676 /nfs/dbraw/zinc/86/26/76/409862676.db2.gz PQJBMHGDQGCODL-WOPDTQHZSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CCCC1 665250361 409863079 /nfs/dbraw/zinc/86/30/79/409863079.db2.gz PBINKCVDEOFINE-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]CCCC1CCC1 665267059 409863838 /nfs/dbraw/zinc/86/38/38/409863838.db2.gz OZUVAHWDZJYRPB-WDEREUQCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]CC1=CCCC1 665274619 409864501 /nfs/dbraw/zinc/86/45/01/409864501.db2.gz UPPHBQGIERMCMC-NSHDSACASA-N 2 0 196.338 2.204 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+][C@]1(C)CC1(C)C 665275852 409865015 /nfs/dbraw/zinc/86/50/15/409865015.db2.gz UCHJLCNTYIUWOE-ZYHUDNBSSA-N 2 0 198.354 2.282 20 0 AEADRP CC1(C)C[C@]1(C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 665275241 409865023 /nfs/dbraw/zinc/86/50/23/409865023.db2.gz GEEJFZPQGOUAIA-NHCYSSNCSA-N 2 0 196.338 2.035 20 0 AEADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCC1CCC1 665267251 409865180 /nfs/dbraw/zinc/86/51/80/409865180.db2.gz SQPWIVZOUSPYDW-NEPJUHHUSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC1CCC1 665267058 409865306 /nfs/dbraw/zinc/86/53/06/409865306.db2.gz OZUVAHWDZJYRPB-QWRGUYRKSA-N 2 0 198.354 2.282 20 0 AEADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCC1CCC1 665267252 409865337 /nfs/dbraw/zinc/86/53/37/409865337.db2.gz SQPWIVZOUSPYDW-NWDGAFQWSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@@]1(C)CC1(C)C 665275850 409865426 /nfs/dbraw/zinc/86/54/26/409865426.db2.gz UCHJLCNTYIUWOE-JQWIXIFHSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCC1CCC1 665267056 409865632 /nfs/dbraw/zinc/86/56/32/409865632.db2.gz OZUVAHWDZJYRPB-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCC1CCC1 665267253 409865850 /nfs/dbraw/zinc/86/58/50/409865850.db2.gz SQPWIVZOUSPYDW-RYUDHWBXSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+][C@]1(C)CC1(C)C 665275849 409865996 /nfs/dbraw/zinc/86/59/96/409865996.db2.gz UCHJLCNTYIUWOE-CMPLNLGQSA-N 2 0 198.354 2.282 20 0 AEADRP CC1(C)C[C@]1(C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 665275242 409866112 /nfs/dbraw/zinc/86/61/12/409866112.db2.gz GEEJFZPQGOUAIA-SCVCMEIPSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+][C@@]1(C)CC1(C)C 665275851 409866240 /nfs/dbraw/zinc/86/62/40/409866240.db2.gz UCHJLCNTYIUWOE-PWSUYJOCSA-N 2 0 198.354 2.282 20 0 AEADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CCCC1CCC1 665267057 409866300 /nfs/dbraw/zinc/86/63/00/409866300.db2.gz OZUVAHWDZJYRPB-MNOVXSKESA-N 2 0 198.354 2.282 20 0 AEADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCC1CCC1 665267254 409866598 /nfs/dbraw/zinc/86/65/98/409866598.db2.gz SQPWIVZOUSPYDW-VXGBXAGGSA-N 2 0 196.338 2.036 20 0 AEADRP CC1(C)C[C@]1(C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 665275243 409866659 /nfs/dbraw/zinc/86/66/59/409866659.db2.gz GEEJFZPQGOUAIA-UMNHJUIQSA-N 2 0 196.338 2.035 20 0 AEADRP CC1(C)C[C@]1(C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 665275240 409866727 /nfs/dbraw/zinc/86/67/27/409866727.db2.gz GEEJFZPQGOUAIA-FOGDFJRCSA-N 2 0 196.338 2.035 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]CC1=CCCC1 665274618 409866855 /nfs/dbraw/zinc/86/68/55/409866855.db2.gz UPPHBQGIERMCMC-LLVKDONJSA-N 2 0 196.338 2.204 20 0 AEADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC1(C)CC1 379829367 409866917 /nfs/dbraw/zinc/86/69/17/409866917.db2.gz ZDAUZZJKGLIEOI-LLVKDONJSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC1(C)CC1 379829369 409867904 /nfs/dbraw/zinc/86/79/04/409867904.db2.gz ZDAUZZJKGLIEOI-NSHDSACASA-N 2 0 198.354 2.092 20 0 AEADRP CC[C@]1(C)CCC[N@H+](CCC[NH2+]C)C1 379959349 409869227 /nfs/dbraw/zinc/86/92/27/409869227.db2.gz WJSGBUWKMAKTBF-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP CC[C@@]1(C)CCC[N@H+](CCC[NH2+]C)C1 379959356 409869278 /nfs/dbraw/zinc/86/92/78/409869278.db2.gz WJSGBUWKMAKTBF-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CCC(CC)[N@H+](CCC[NH2+]C)C1CC1 379923499 409869985 /nfs/dbraw/zinc/86/99/85/409869985.db2.gz JNXCZUWCMMZIQS-UHFFFAOYSA-N 2 0 198.354 2.249 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C 665295240 409870772 /nfs/dbraw/zinc/87/07/72/409870772.db2.gz AQQNCGAMCRSZHU-DCAQKATOSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]CCC[N@@H+](C1CCCC1)C1CC1 380001109 409871194 /nfs/dbraw/zinc/87/11/94/409871194.db2.gz MUIQMQQRIKHLFE-UHFFFAOYSA-N 2 0 196.338 2.003 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+]C1[C@H](C)CCC[C@H]1C 665295242 409871400 /nfs/dbraw/zinc/87/14/00/409871400.db2.gz AQQNCGAMCRSZHU-MXWKQRLJSA-N 2 0 198.354 2.009 20 0 AEADRP CCC[C@H]([NH2+][C@@H](C)C[NH2+]C)C1CCC1 665297509 409871588 /nfs/dbraw/zinc/87/15/88/409871588.db2.gz HLBOBVGBDLWHGE-JQWIXIFHSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@H]([NH2+][C@H](C)C[NH2+]C)C1CCC1 665297510 409871843 /nfs/dbraw/zinc/87/18/43/409871843.db2.gz HLBOBVGBDLWHGE-PWSUYJOCSA-N 2 0 198.354 2.153 20 0 AEADRP CCC[C@@H]([NH2+][C@H](C)C[NH2+]C)C1CCC1 665297511 409871858 /nfs/dbraw/zinc/87/18/58/409871858.db2.gz HLBOBVGBDLWHGE-ZYHUDNBSSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@@H](C)[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 665295241 409871952 /nfs/dbraw/zinc/87/19/52/409871952.db2.gz AQQNCGAMCRSZHU-KXNHARMFSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C 665297958 409871996 /nfs/dbraw/zinc/87/19/96/409871996.db2.gz PAVWLHVQGHCKQH-WHOHXGKFSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 665296134 409872126 /nfs/dbraw/zinc/87/21/26/409872126.db2.gz NHUXGQKRIMZAGX-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C[NH2+]C 665297980 409872184 /nfs/dbraw/zinc/87/21/84/409872184.db2.gz PTRFZQQEDDDBDP-QJPTWQEYSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 665295243 409872515 /nfs/dbraw/zinc/87/25/15/409872515.db2.gz AQQNCGAMCRSZHU-WHOHXGKFSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 665297957 409872562 /nfs/dbraw/zinc/87/25/62/409872562.db2.gz PAVWLHVQGHCKQH-NOOOWODRSA-N 2 0 198.354 2.009 20 0 AEADRP CCC[C@@H]([NH2+][C@@H](C)C[NH2+]C)C1CCC1 665297508 409872772 /nfs/dbraw/zinc/87/27/72/409872772.db2.gz HLBOBVGBDLWHGE-CMPLNLGQSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 665296136 409872827 /nfs/dbraw/zinc/87/28/27/409872827.db2.gz NHUXGQKRIMZAGX-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C 665297956 409873004 /nfs/dbraw/zinc/87/30/04/409873004.db2.gz PAVWLHVQGHCKQH-FIQHERPVSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 665296135 409873105 /nfs/dbraw/zinc/87/31/05/409873105.db2.gz NHUXGQKRIMZAGX-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 665296137 409873957 /nfs/dbraw/zinc/87/39/57/409873957.db2.gz NHUXGQKRIMZAGX-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[NH2+]C 665297981 409874044 /nfs/dbraw/zinc/87/40/44/409874044.db2.gz PTRFZQQEDDDBDP-TUAOUCFPSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C[NH2+]C 665297979 409874159 /nfs/dbraw/zinc/87/41/59/409874159.db2.gz PTRFZQQEDDDBDP-IJLUTSLNSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 665297959 409874373 /nfs/dbraw/zinc/87/43/73/409874373.db2.gz PAVWLHVQGHCKQH-WISYIIOYSA-N 2 0 198.354 2.009 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+][C@@H](C)C[NH2+]C 665298338 409874883 /nfs/dbraw/zinc/87/48/83/409874883.db2.gz VBJQOUVAXHEKBH-UWVGGRQHSA-N 2 0 186.343 2.009 20 0 AEADRP CC[C@H]([NH2+][C@H](C)C[NH2+]C)C1CCCC1 665298110 409875393 /nfs/dbraw/zinc/87/53/93/409875393.db2.gz RWJIXQJRGWAMLU-PWSUYJOCSA-N 2 0 198.354 2.153 20 0 AEADRP CCC(C)(C)CC[NH2+]CC1([NH3+])CCC1 380272343 409875595 /nfs/dbraw/zinc/87/55/95/409875595.db2.gz WQWJVWXBNMDQOJ-UHFFFAOYSA-N 2 0 198.354 2.284 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C 665298065 409875698 /nfs/dbraw/zinc/87/56/98/409875698.db2.gz RDIAIEWXQFAAQQ-DCAQKATOSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C 665298068 409875758 /nfs/dbraw/zinc/87/57/58/409875758.db2.gz RDIAIEWXQFAAQQ-VWYCJHECSA-N 2 0 198.354 2.009 20 0 AEADRP C[NH2+]CCC[N@H+](C(C)C)C1CCCC1 380273961 409875820 /nfs/dbraw/zinc/87/58/20/409875820.db2.gz XFQWMSVXMMFRGS-UHFFFAOYSA-N 2 0 198.354 2.249 20 0 AEADRP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)C1CCCC1 665298108 409875848 /nfs/dbraw/zinc/87/58/48/409875848.db2.gz RWJIXQJRGWAMLU-CMPLNLGQSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)C1CCCC1 665298111 409875939 /nfs/dbraw/zinc/87/59/39/409875939.db2.gz RWJIXQJRGWAMLU-ZYHUDNBSSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C 665298067 409876212 /nfs/dbraw/zinc/87/62/12/409876212.db2.gz RDIAIEWXQFAAQQ-OUAUKWLOSA-N 2 0 198.354 2.009 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)C[NH2+]C 665298339 409876239 /nfs/dbraw/zinc/87/62/39/409876239.db2.gz VBJQOUVAXHEKBH-VHSXEESVSA-N 2 0 186.343 2.009 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+][C@H](C)C[NH2+]C 665298340 409876427 /nfs/dbraw/zinc/87/64/27/409876427.db2.gz VBJQOUVAXHEKBH-ZJUUUORDSA-N 2 0 186.343 2.009 20 0 AEADRP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)C1CCCC1 665298109 409876486 /nfs/dbraw/zinc/87/64/86/409876486.db2.gz RWJIXQJRGWAMLU-JQWIXIFHSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 665298066 409876814 /nfs/dbraw/zinc/87/68/14/409876814.db2.gz RDIAIEWXQFAAQQ-GARJFASQSA-N 2 0 198.354 2.009 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+][C@H](C)C[NH2+]C 665298337 409876850 /nfs/dbraw/zinc/87/68/50/409876850.db2.gz VBJQOUVAXHEKBH-NXEZZACHSA-N 2 0 186.343 2.009 20 0 AEADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[NH2+]C 665297982 409877236 /nfs/dbraw/zinc/87/72/36/409877236.db2.gz PTRFZQQEDDDBDP-UTUOFQBUSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@H](C)CCC[NH3+] 381944378 409884121 /nfs/dbraw/zinc/88/41/21/409884121.db2.gz XWPRQYDPPSIFSO-AXFHLTTASA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] 381944380 409883934 /nfs/dbraw/zinc/88/39/34/409883934.db2.gz XWPRQYDPPSIFSO-GARJFASQSA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCC[NH3+] 381944381 409884689 /nfs/dbraw/zinc/88/46/89/409884689.db2.gz XWPRQYDPPSIFSO-HBNTYKKESA-N 2 0 186.343 2.138 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCC[NH3+] 381944379 409885270 /nfs/dbraw/zinc/88/52/70/409885270.db2.gz XWPRQYDPPSIFSO-DCAQKATOSA-N 2 0 186.343 2.138 20 0 AEADRP C[N@H+](CCC[NH3+])CCCC1CCCC1 382076279 409887243 /nfs/dbraw/zinc/88/72/43/409887243.db2.gz JXIGIHYKIMVGDB-UHFFFAOYSA-N 2 0 198.354 2.237 20 0 AEADRP CC[C@@H]([NH2+]CC(C)(C)[NH3+])C1CCCC1 382801585 409905982 /nfs/dbraw/zinc/90/59/82/409905982.db2.gz ZXEUOPLFMZQDQC-LLVKDONJSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H](C)[C@H](C)[NH2+]CCC[NH2+]C1CC1 382597953 409906065 /nfs/dbraw/zinc/90/60/65/409906065.db2.gz OHAQMAXCDXUCSH-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])C1CCCC1 382773130 409906095 /nfs/dbraw/zinc/90/60/95/409906095.db2.gz AKXOCOQFXLDUGD-ZYHUDNBSSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])C1CCCC1 382773128 409906373 /nfs/dbraw/zinc/90/63/73/409906373.db2.gz AKXOCOQFXLDUGD-JQWIXIFHSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)C(C)C 382577841 409906486 /nfs/dbraw/zinc/90/64/86/409906486.db2.gz CAIHJXNAITVPTG-GFCCVEGCSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)[C@@H](C)[NH2+]CCC[NH2+]C1CC1 382597955 409906611 /nfs/dbraw/zinc/90/66/11/409906611.db2.gz OHAQMAXCDXUCSH-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1CCCC1 382773127 409907337 /nfs/dbraw/zinc/90/73/37/409907337.db2.gz AKXOCOQFXLDUGD-CMPLNLGQSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H](C)[C@@H](C)[NH2+]CCC[NH2+]C1CC1 382597952 409907351 /nfs/dbraw/zinc/90/73/51/409907351.db2.gz OHAQMAXCDXUCSH-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H](C)[C@H](C)[NH2+]CCC[NH2+]C1CC1 382597954 409907411 /nfs/dbraw/zinc/90/74/11/409907411.db2.gz OHAQMAXCDXUCSH-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)C(C)C 382577843 409907625 /nfs/dbraw/zinc/90/76/25/409907625.db2.gz CAIHJXNAITVPTG-LBPRGKRZSA-N 2 0 198.354 2.153 20 0 AEADRP CC[C@H]([NH2+]CC(C)(C)[NH3+])C1CCCC1 382801586 409907946 /nfs/dbraw/zinc/90/79/46/409907946.db2.gz ZXEUOPLFMZQDQC-NSHDSACASA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@H]([NH2+]C[C@H](C)C[NH3+])C1CCCC1 382773129 409908243 /nfs/dbraw/zinc/90/82/43/409908243.db2.gz AKXOCOQFXLDUGD-PWSUYJOCSA-N 2 0 198.354 2.140 20 0 AEADRP CC/C=C/C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 384740218 409912815 /nfs/dbraw/zinc/91/28/15/409912815.db2.gz LRKGVXWECGVHIP-CXILLOQGSA-N 2 0 196.338 2.060 20 0 AEADRP CC/C=C\C[NH2+]C1CC[NH+](CC)CC1 384795916 409913113 /nfs/dbraw/zinc/91/31/13/409913113.db2.gz WRHJSCPGWWXOAK-WAYWQWQTSA-N 2 0 196.338 2.027 20 0 AEADRP CC/C=C\C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 384740221 409913469 /nfs/dbraw/zinc/91/34/69/409913469.db2.gz LRKGVXWECGVHIP-VCUMLDNESA-N 2 0 196.338 2.060 20 0 AEADRP CC/C=C\C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 384740215 409913492 /nfs/dbraw/zinc/91/34/92/409913492.db2.gz LRKGVXWECGVHIP-BCIKPAMSSA-N 2 0 196.338 2.060 20 0 AEADRP CC/C=C/C[NH2+]C1CC[NH+](CC)CC1 384795915 409913910 /nfs/dbraw/zinc/91/39/10/409913910.db2.gz WRHJSCPGWWXOAK-AATRIKPKSA-N 2 0 196.338 2.027 20 0 AEADRP CC/C=C/C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 384740219 409914036 /nfs/dbraw/zinc/91/40/36/409914036.db2.gz LRKGVXWECGVHIP-JKNNBXRXSA-N 2 0 196.338 2.060 20 0 AEADRP CC(C)C[C@@H](C)C[N@H+](C)C1CC([NH3+])C1 384833130 409915085 /nfs/dbraw/zinc/91/50/85/409915085.db2.gz HERQXELNEHFCKE-VOMCLLRMSA-N 2 0 198.354 2.090 20 0 AEADRP CC(C)C[C@H](C)C[N@H+](C)C1CC([NH3+])C1 384833129 409915598 /nfs/dbraw/zinc/91/55/98/409915598.db2.gz HERQXELNEHFCKE-UNXYVOJBSA-N 2 0 198.354 2.090 20 0 AEADRP CC(C)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 386153464 409933514 /nfs/dbraw/zinc/93/35/14/409933514.db2.gz SOQCYUVXONNCLX-NWDGAFQWSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@H]([NH2+]CC(C)(C)C)[C@@H]1CCCC[NH2+]1 386129190 409933588 /nfs/dbraw/zinc/93/35/88/409933588.db2.gz OGFJKVGIGYCVBG-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CCCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 386109230 409933844 /nfs/dbraw/zinc/93/38/44/409933844.db2.gz LEAMCFVYWMZYMZ-NWDGAFQWSA-N 2 0 198.354 2.297 20 0 AEADRP CC(C)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 386153466 409934481 /nfs/dbraw/zinc/93/44/81/409934481.db2.gz SOQCYUVXONNCLX-VXGBXAGGSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@@H]([NH2+]CC(C)(C)C)[C@H]1CCCC[NH2+]1 386129188 409934650 /nfs/dbraw/zinc/93/46/50/409934650.db2.gz OGFJKVGIGYCVBG-GHMZBOCLSA-N 2 0 198.354 2.153 20 0 AEADRP CCCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 386109229 409934995 /nfs/dbraw/zinc/93/49/95/409934995.db2.gz LEAMCFVYWMZYMZ-NEPJUHHUSA-N 2 0 198.354 2.297 20 0 AEADRP CC(C)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 386153463 409935228 /nfs/dbraw/zinc/93/52/28/409935228.db2.gz SOQCYUVXONNCLX-NEPJUHHUSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 386153465 409935508 /nfs/dbraw/zinc/93/55/08/409935508.db2.gz SOQCYUVXONNCLX-RYUDHWBXSA-N 2 0 198.354 2.153 20 0 AEADRP C[C@@H]([NH2+]CC(C)(C)C)[C@@H]1CCCC[NH2+]1 386129189 409935744 /nfs/dbraw/zinc/93/57/44/409935744.db2.gz OGFJKVGIGYCVBG-MNOVXSKESA-N 2 0 198.354 2.153 20 0 AEADRP CCCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 386109234 409935763 /nfs/dbraw/zinc/93/57/63/409935763.db2.gz LEAMCFVYWMZYMZ-RYUDHWBXSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 386109235 409935784 /nfs/dbraw/zinc/93/57/84/409935784.db2.gz LEAMCFVYWMZYMZ-VXGBXAGGSA-N 2 0 198.354 2.297 20 0 AEADRP C[C@H]([NH2+]CC(C)(C)C)[C@H]1CCCC[NH2+]1 386129191 409935804 /nfs/dbraw/zinc/93/58/04/409935804.db2.gz OGFJKVGIGYCVBG-WDEREUQCSA-N 2 0 198.354 2.153 20 0 AEADRP C[NH+](C)CCCC(C)(C)[NH2+]CC1CC1 387334232 409943760 /nfs/dbraw/zinc/94/37/60/409943760.db2.gz OVKGFAIIPFEPQX-UHFFFAOYSA-N 2 0 198.354 2.106 20 0 AEADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] 387725088 409946425 /nfs/dbraw/zinc/94/64/25/409946425.db2.gz QKYYXVZNEVQTOD-TUAOUCFPSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]1C[C@H]1C[NH2+][C@H](C)CCCC[NH3+] 387725089 409946551 /nfs/dbraw/zinc/94/65/51/409946551.db2.gz QKYYXVZNEVQTOD-UTUOFQBUSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCC[NH3+] 388842523 409961741 /nfs/dbraw/zinc/96/17/41/409961741.db2.gz YSDUZJAYRUJSSK-QJPTWQEYSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCC[NH3+] 388842525 409961991 /nfs/dbraw/zinc/96/19/91/409961991.db2.gz YSDUZJAYRUJSSK-TUAOUCFPSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCC[NH3+] 388842527 409962511 /nfs/dbraw/zinc/96/25/11/409962511.db2.gz YSDUZJAYRUJSSK-UTUOFQBUSA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCC[NH3+] 388842521 409963613 /nfs/dbraw/zinc/96/36/13/409963613.db2.gz YSDUZJAYRUJSSK-IJLUTSLNSA-N 2 0 198.354 2.282 20 0 AEADRP [NH3+]C1(C[NH2+]CCC2CCCC2)CCC1 389967256 409973244 /nfs/dbraw/zinc/97/32/44/409973244.db2.gz YCUBSSSMQCGBMW-UHFFFAOYSA-N 2 0 196.338 2.038 20 0 AEADRP C[C@H]1CCCC[C@H]1C[N@H+](C)CCC[NH3+] 394827344 409998534 /nfs/dbraw/zinc/99/85/34/409998534.db2.gz LFWJNICEZYTOGH-RYUDHWBXSA-N 2 0 198.354 2.093 20 0 AEADRP C[C@@H]1CCCC[C@H]1C[N@H+](C)CCC[NH3+] 394827339 409998926 /nfs/dbraw/zinc/99/89/26/409998926.db2.gz LFWJNICEZYTOGH-NEPJUHHUSA-N 2 0 198.354 2.093 20 0 AEADRP C[C@H]1CCCC[C@@H]1C[N@H+](C)CCC[NH3+] 394827342 409999635 /nfs/dbraw/zinc/99/96/35/409999635.db2.gz LFWJNICEZYTOGH-NWDGAFQWSA-N 2 0 198.354 2.093 20 0 AEADRP C[C@@H]1CCCC[C@@H]1C[N@H+](C)CCC[NH3+] 394827346 410000037 /nfs/dbraw/zinc/00/00/37/410000037.db2.gz LFWJNICEZYTOGH-VXGBXAGGSA-N 2 0 198.354 2.093 20 0 AEADRP C[N@H+](CCCC(C)(C)C)C1CC([NH3+])C1 394987219 410001923 /nfs/dbraw/zinc/00/19/23/410001923.db2.gz BCPKBSKJDHOFEJ-UHFFFAOYSA-N 2 0 198.354 2.234 20 0 AEADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]1CC(C)C 397043563 410009971 /nfs/dbraw/zinc/00/99/71/410009971.db2.gz CJAMXVJMIQVQNH-GFCCVEGCSA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 397297681 410010676 /nfs/dbraw/zinc/01/06/76/410010676.db2.gz JINXISUFDJEOIB-WOPDTQHZSA-N 2 0 198.354 2.092 20 0 AEADRP CCCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 397297677 410011246 /nfs/dbraw/zinc/01/12/46/410011246.db2.gz JINXISUFDJEOIB-TUAOUCFPSA-N 2 0 198.354 2.092 20 0 AEADRP CCCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 397297675 410011297 /nfs/dbraw/zinc/01/12/97/410011297.db2.gz JINXISUFDJEOIB-SRVKXCTJSA-N 2 0 198.354 2.092 20 0 AEADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1CC(C)C 397043565 410011780 /nfs/dbraw/zinc/01/17/80/410011780.db2.gz CJAMXVJMIQVQNH-LBPRGKRZSA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 396780712 410011881 /nfs/dbraw/zinc/01/18/81/410011881.db2.gz VYSNKFZAHDDJHO-IJLUTSLNSA-N 2 0 198.354 2.425 20 0 AEADRP CCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 396764971 410012293 /nfs/dbraw/zinc/01/22/93/410012293.db2.gz VYSNKFZAHDDJHO-QJPTWQEYSA-N 2 0 198.354 2.425 20 0 AEADRP CCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 397297679 410012322 /nfs/dbraw/zinc/01/23/22/410012322.db2.gz JINXISUFDJEOIB-UTUOFQBUSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)=CCC[NH2+][C@@H](C)CCCC[NH3+] 397831131 410016690 /nfs/dbraw/zinc/01/66/90/410016690.db2.gz RIDRMSXFROPBOV-LBPRGKRZSA-N 2 0 198.354 2.450 20 0 AEADRP CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 397832495 410017661 /nfs/dbraw/zinc/01/76/61/410017661.db2.gz RWCAYTAVOOYJFN-VXGBXAGGSA-N 2 0 196.338 2.060 20 0 AEADRP CC(C)=CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] 397832493 410018564 /nfs/dbraw/zinc/01/85/64/410018564.db2.gz RWCAYTAVOOYJFN-RYUDHWBXSA-N 2 0 196.338 2.060 20 0 AEADRP CC(C)=CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 397832487 410018743 /nfs/dbraw/zinc/01/87/43/410018743.db2.gz RWCAYTAVOOYJFN-NEPJUHHUSA-N 2 0 196.338 2.060 20 0 AEADRP CC(C)=CCC[NH2+][C@H](C)CCCC[NH3+] 397831129 410018853 /nfs/dbraw/zinc/01/88/53/410018853.db2.gz RIDRMSXFROPBOV-GFCCVEGCSA-N 2 0 198.354 2.450 20 0 AEADRP CC(C)=CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 397832490 410018860 /nfs/dbraw/zinc/01/88/60/410018860.db2.gz RWCAYTAVOOYJFN-NWDGAFQWSA-N 2 0 196.338 2.060 20 0 AEADRP CC[NH2+]CCC[NH2+][C@@H](C)CCC1CC1 398240361 410019492 /nfs/dbraw/zinc/01/94/92/410019492.db2.gz YMRJHBUNAGRJKW-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)C1CC1 398213320 410020508 /nfs/dbraw/zinc/02/05/08/410020508.db2.gz TULSAGZNJDBWAX-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP C[C@H]([NH2+]CC1([NH3+])CCCCC1)C1CC1 398213318 410021228 /nfs/dbraw/zinc/02/12/28/410021228.db2.gz TULSAGZNJDBWAX-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CC[NH2+]CCC[NH2+][C@H](C)CCC1CC1 398240360 410021590 /nfs/dbraw/zinc/02/15/90/410021590.db2.gz YMRJHBUNAGRJKW-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] 404293849 410041694 /nfs/dbraw/zinc/04/16/94/410041694.db2.gz MNQYSLLSOOEWAL-RYUDHWBXSA-N 2 0 198.354 2.092 20 0 AEADRP CCCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] 404293271 410041829 /nfs/dbraw/zinc/04/18/29/410041829.db2.gz MHKNHTCCLBZIIN-NWDGAFQWSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] 404293852 410041854 /nfs/dbraw/zinc/04/18/54/410041854.db2.gz MNQYSLLSOOEWAL-VXGBXAGGSA-N 2 0 198.354 2.092 20 0 AEADRP CC(C)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] 404293845 410042015 /nfs/dbraw/zinc/04/20/15/410042015.db2.gz MNQYSLLSOOEWAL-NEPJUHHUSA-N 2 0 198.354 2.092 20 0 AEADRP CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] 404293273 410042116 /nfs/dbraw/zinc/04/21/16/410042116.db2.gz MHKNHTCCLBZIIN-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP CCCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] 404293272 410042155 /nfs/dbraw/zinc/04/21/55/410042155.db2.gz MHKNHTCCLBZIIN-RYUDHWBXSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] 404293847 410042397 /nfs/dbraw/zinc/04/23/97/410042397.db2.gz MNQYSLLSOOEWAL-NWDGAFQWSA-N 2 0 198.354 2.092 20 0 AEADRP CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] 404293270 410042692 /nfs/dbraw/zinc/04/26/92/410042692.db2.gz MHKNHTCCLBZIIN-NEPJUHHUSA-N 2 0 198.354 2.236 20 0 AEADRP CC(C)[C@H](C)[NH2+]CCC1CC[NH2+]CC1 650764389 410277782 /nfs/dbraw/zinc/27/77/82/410277782.db2.gz XJDOYWNWWJBSJX-NSHDSACASA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 650763916 410278319 /nfs/dbraw/zinc/27/83/19/410278319.db2.gz MEUQAFPOUGNTET-LLVKDONJSA-N 2 0 198.354 2.154 20 0 AEADRP CC(C)[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 650764388 410278612 /nfs/dbraw/zinc/27/86/12/410278612.db2.gz XJDOYWNWWJBSJX-LLVKDONJSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@H](C)[NH2+]CCC1CC[NH2+]CC1 650763917 410279096 /nfs/dbraw/zinc/27/90/96/410279096.db2.gz MEUQAFPOUGNTET-NSHDSACASA-N 2 0 198.354 2.154 20 0 AEADRP C[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)[NH3+] 308557279 573348616 /nfs/dbraw/zinc/34/86/16/573348616.db2.gz UTDDECYGPHQTNQ-GHMZBOCLSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCN(C)CC[NH2+][C@H]1CC[C@H]1C 308596694 573479627 /nfs/dbraw/zinc/47/96/27/573479627.db2.gz MVVSMYYXTDFTHP-NEPJUHHUSA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 40621941 573878426 /nfs/dbraw/zinc/87/84/26/573878426.db2.gz CWCRDTLOQLJAPL-LBPRGKRZSA-N 2 0 198.354 2.106 20 0 AEADRP C[N@H+](CCCCCCC[NH3+])C1CCC1 127540821 573907169 /nfs/dbraw/zinc/90/71/69/573907169.db2.gz IMQIZAIYSUJCBX-UHFFFAOYSA-N 2 0 198.354 2.380 20 0 AEADRP C1CC[NH2+][C@@H](C[NH2+]C2CCCC2)CC1 81038156 573926691 /nfs/dbraw/zinc/92/66/91/573926691.db2.gz QIGLXCPOACOWDL-GFCCVEGCSA-N 2 0 196.338 2.051 20 0 AEADRP CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 42573888 573985397 /nfs/dbraw/zinc/98/53/97/573985397.db2.gz AGBKTWOXSJDRLO-RYUDHWBXSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] 42574172 573985510 /nfs/dbraw/zinc/98/55/10/573985510.db2.gz ASWBIANPEZPQCZ-WDEREUQCSA-N 2 0 186.343 2.282 20 0 AEADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])C(C)(C)C 308220141 629848541 /nfs/dbraw/zinc/84/85/41/629848541.db2.gz NXJHKSSKFWJNHR-VIFPVBQESA-N 2 0 186.343 2.138 20 0 AEADRP C[C@H]1C[C@@H]([NH+]2CCCCCC2)CC[NH2+]1 229540396 629903452 /nfs/dbraw/zinc/90/34/52/629903452.db2.gz SSYZZEGNZVAICJ-RYUDHWBXSA-N 2 0 196.338 2.003 20 0 AEADRP C[C@@H]1C[C@@H]([NH+]2CCCCCC2)CC[NH2+]1 229540387 629909405 /nfs/dbraw/zinc/90/94/05/629909405.db2.gz SSYZZEGNZVAICJ-NEPJUHHUSA-N 2 0 196.338 2.003 20 0 AEADRP CCCCCC[NH+]1CCC(C)([NH3+])CC1 309091384 629914787 /nfs/dbraw/zinc/91/47/87/629914787.db2.gz BGOURMOVHUYTTC-UHFFFAOYSA-N 2 0 198.354 2.380 20 0 AEADRP CCC[C@H](CC)[NH2+]CCC(C)(C)[NH3+] 308233743 630003227 /nfs/dbraw/zinc/00/32/27/630003227.db2.gz UWNHHOPIOUYXTG-JTQLQIEISA-N 2 0 186.343 2.282 20 0 AEADRP C[C@H](C[NH3+])C[NH2+]C1CCCCCCC1 308581808 630016586 /nfs/dbraw/zinc/01/65/86/630016586.db2.gz PPFIRBTXAWRIHG-LLVKDONJSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@@H](C[NH3+])C[NH2+]C1CCCCCCC1 308581809 630017800 /nfs/dbraw/zinc/01/78/00/630017800.db2.gz PPFIRBTXAWRIHG-NSHDSACASA-N 2 0 198.354 2.284 20 0 AEADRP CCCCCC[NH2+][C@@H]1CC[NH2+]C1(C)C 925504392 630022998 /nfs/dbraw/zinc/02/29/98/630022998.db2.gz QNILCLLLHZPAAF-LLVKDONJSA-N 2 0 198.354 2.297 20 0 AEADRP CCCCCC[NH2+][C@H]1CC[NH2+]C1(C)C 925504393 630023895 /nfs/dbraw/zinc/02/38/95/630023895.db2.gz QNILCLLLHZPAAF-NSHDSACASA-N 2 0 198.354 2.297 20 0 AEADRP CCC[C@H](C)CC[NH2+][C@H](C)C1C[NH2+]C1 925734451 630047555 /nfs/dbraw/zinc/04/75/55/630047555.db2.gz RABDKEMQMHHMAK-WDEREUQCSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@H](C)CC[NH2+][C@@H](C)C1C[NH2+]C1 925734350 630047635 /nfs/dbraw/zinc/04/76/35/630047635.db2.gz RABDKEMQMHHMAK-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@@H](C)CC[NH2+][C@@H](C)C1C[NH2+]C1 925734349 630047825 /nfs/dbraw/zinc/04/78/25/630047825.db2.gz RABDKEMQMHHMAK-MNOVXSKESA-N 2 0 198.354 2.010 20 0 AEADRP CCC[C@@H](C)CC[NH2+][C@H](C)C1C[NH2+]C1 925734348 630048401 /nfs/dbraw/zinc/04/84/01/630048401.db2.gz RABDKEMQMHHMAK-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1C[C@H]1C 925738104 630049700 /nfs/dbraw/zinc/04/97/00/630049700.db2.gz NQQNLDKFRJJURL-MXWKQRLJSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1C[C@@H]1C 925738103 630049730 /nfs/dbraw/zinc/04/97/30/630049730.db2.gz NQQNLDKFRJJURL-DCAQKATOSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)([NH3+])CC[NH2+][C@H]1CCC12CCC2 925739557 630049737 /nfs/dbraw/zinc/04/97/37/630049737.db2.gz YTCTWDPRCLBYOH-JTQLQIEISA-N 2 0 196.338 2.036 20 0 AEADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCC12CCC2 925739558 630049967 /nfs/dbraw/zinc/04/99/67/630049967.db2.gz YTCTWDPRCLBYOH-SNVBAGLBSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1C[C@@H]1C 925738102 630050204 /nfs/dbraw/zinc/05/02/04/630050204.db2.gz NQQNLDKFRJJURL-AXFHLTTASA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1C[C@H]1C 925738105 630050265 /nfs/dbraw/zinc/05/02/65/630050265.db2.gz NQQNLDKFRJJURL-VWYCJHECSA-N 2 0 198.354 2.138 20 0 AEADRP CC[C@H](C)C[C@@H](C[NH3+])[C@H]1CCCC[NH2+]1 238856896 523898555 /nfs/dbraw/zinc/89/85/55/523898555.db2.gz XPBPZMFLTQXTQK-SDDRHHMPSA-N 2 0 198.354 2.140 20 0 AEADRP CC[C@H](C)C[C@H](C[NH3+])[C@H]1CCCC[NH2+]1 238856895 523904050 /nfs/dbraw/zinc/90/40/50/523904050.db2.gz XPBPZMFLTQXTQK-QJPTWQEYSA-N 2 0 198.354 2.140 20 0 AEADRP CC(C)([NH3+])C[NH2+]C1CCCCCCC1 306404115 630102146 /nfs/dbraw/zinc/10/21/46/630102146.db2.gz UWZOSJGGPFFWHY-UHFFFAOYSA-N 2 0 198.354 2.426 20 0 AEADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCCCC1 307265261 630155737 /nfs/dbraw/zinc/15/57/37/630155737.db2.gz FXNOTNKPDPNYEC-LLVKDONJSA-N 2 0 196.338 2.049 20 0 AEADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCCCC1 307265273 630157387 /nfs/dbraw/zinc/15/73/87/630157387.db2.gz FXNOTNKPDPNYEC-NSHDSACASA-N 2 0 196.338 2.049 20 0 AEADRP [NH3+]C1CC([NH2+]CC2CCCCCC2)C1 307374386 630163044 /nfs/dbraw/zinc/16/30/44/630163044.db2.gz XXNPSVUMUJTBOF-UHFFFAOYSA-N 2 0 196.338 2.036 20 0 AEADRP C[NH+]1CCC(C[N@@H+](C)C(C)(C)C)CC1 895117414 630204145 /nfs/dbraw/zinc/20/41/45/630204145.db2.gz QXPDKPBRLJYOLB-UHFFFAOYSA-N 2 0 198.354 2.059 20 0 AEADRP CCCCC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] 54345862 630258972 /nfs/dbraw/zinc/25/89/72/630258972.db2.gz MVVLEWJDNIXVRE-GHMZBOCLSA-N 2 0 186.343 2.140 20 0 AEADRP CCCCC[C@H](C)[NH2+]C[C@H](C)C[NH3+] 54345865 630260102 /nfs/dbraw/zinc/26/01/02/630260102.db2.gz MVVLEWJDNIXVRE-MNOVXSKESA-N 2 0 186.343 2.140 20 0 AEADRP CCCCC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] 54345858 630261513 /nfs/dbraw/zinc/26/15/13/630261513.db2.gz MVVLEWJDNIXVRE-QWRGUYRKSA-N 2 0 186.343 2.140 20 0 AEADRP CCCCC[C@H](C)[NH2+]CC1([NH3+])CCC1 88051942 630748782 /nfs/dbraw/zinc/74/87/82/630748782.db2.gz VFSOQWKCKPRNFL-NSHDSACASA-N 2 0 198.354 2.426 20 0 AEADRP CCCCCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 163262235 630749055 /nfs/dbraw/zinc/74/90/55/630749055.db2.gz PBWIAPIPJFACJP-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCC[C@@H](C)[NH2+]CC1([NH3+])CCC1 88051941 630749169 /nfs/dbraw/zinc/74/91/69/630749169.db2.gz VFSOQWKCKPRNFL-LLVKDONJSA-N 2 0 198.354 2.426 20 0 AEADRP CCCCCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 163262113 630749188 /nfs/dbraw/zinc/74/91/88/630749188.db2.gz PBWIAPIPJFACJP-NEPJUHHUSA-N 2 0 198.354 2.236 20 0 AEADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 906508747 630753408 /nfs/dbraw/zinc/75/34/08/630753408.db2.gz XXNPSVUMUJTBOF-HAQNSBGRSA-N 2 0 196.338 2.036 20 0 AEADRP CC[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 166334745 630760491 /nfs/dbraw/zinc/76/04/91/630760491.db2.gz UVQCUOPTJYKDBY-GFCCVEGCSA-N 2 0 198.354 2.237 20 0 AEADRP CC[C@H]1CC[N@H+](CCCCCC[NH3+])C1 166334863 630760737 /nfs/dbraw/zinc/76/07/37/630760737.db2.gz UVQCUOPTJYKDBY-LBPRGKRZSA-N 2 0 198.354 2.237 20 0 AEADRP CC(C)[C@@H]([NH2+]CCC(C)(C)[NH3+])C1CC1 324423127 630776805 /nfs/dbraw/zinc/77/68/05/630776805.db2.gz SHBPQQIFJAACNE-LLVKDONJSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)[C@H]([NH2+]CCC(C)(C)[NH3+])C1CC1 324423129 630777755 /nfs/dbraw/zinc/77/77/55/630777755.db2.gz SHBPQQIFJAACNE-NSHDSACASA-N 2 0 198.354 2.138 20 0 AEADRP CCCC[N@H+](C)CC1CC[NH+](C)CC1 917068926 630788009 /nfs/dbraw/zinc/78/80/09/630788009.db2.gz CYIOKSCBZMCEAR-UHFFFAOYSA-N 2 0 198.354 2.060 20 0 AEADRP C[C@H]1CC[C@@H]([NH2+]CCCCCC[NH3+])C1 129380917 630801478 /nfs/dbraw/zinc/80/14/78/630801478.db2.gz JOQVABUYQXFPHY-NWDGAFQWSA-N 2 0 198.354 2.284 20 0 AEADRP C[C@H]1CC[C@H]([NH2+]CC[NH2+]C(C)(C)C)C1 129411159 630802868 /nfs/dbraw/zinc/80/28/68/630802868.db2.gz YZLNPVXQNFGUSV-QWRGUYRKSA-N 2 0 198.354 2.153 20 0 AEADRP CCCCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 232937457 630820197 /nfs/dbraw/zinc/82/01/97/630820197.db2.gz LQUGMGRLGGXWME-LBPRGKRZSA-N 2 0 198.354 2.237 20 0 AEADRP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])C1CCC1 324776832 630821251 /nfs/dbraw/zinc/82/12/51/630821251.db2.gz FJACZNGFQXILMP-LLVKDONJSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 232937828 630821615 /nfs/dbraw/zinc/82/16/15/630821615.db2.gz LQUGMGRLGGXWME-GFCCVEGCSA-N 2 0 198.354 2.237 20 0 AEADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])C1CCC1 324776833 630823305 /nfs/dbraw/zinc/82/33/05/630823305.db2.gz FJACZNGFQXILMP-NSHDSACASA-N 2 0 198.354 2.282 20 0 AEADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C 233481271 630828547 /nfs/dbraw/zinc/82/85/47/630828547.db2.gz MHKWWUDCICUILI-NWDGAFQWSA-N 2 0 198.354 2.105 20 0 AEADRP CC[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C(C)C 233528721 630828773 /nfs/dbraw/zinc/82/87/73/630828773.db2.gz MHKWWUDCICUILI-RYUDHWBXSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)CC[N@H+](C)C1CCC([NH3+])CC1 55144499 630830147 /nfs/dbraw/zinc/83/01/47/630830147.db2.gz KGCKWDYUUCOPOY-UHFFFAOYSA-N 2 0 198.354 2.234 20 0 AEADRP CC(C)([NH3+])CC[NH2+][C@H]1CCC(C)(C)C1 129574456 630830936 /nfs/dbraw/zinc/83/09/36/630830936.db2.gz DSYJCUHQBKZOGP-JTQLQIEISA-N 2 0 198.354 2.282 20 0 AEADRP CC[C@@H](C)C[N@H+](C)C1CCC([NH3+])CC1 55144330 630831047 /nfs/dbraw/zinc/83/10/47/630831047.db2.gz DGHHOTYBJCHSID-VOMCLLRMSA-N 2 0 198.354 2.234 20 0 AEADRP CCCC[NH2+]CCC[N@H+](C)C(C)C 221791430 630831228 /nfs/dbraw/zinc/83/12/28/630831228.db2.gz BWILUNIBAMGMIX-UHFFFAOYSA-N 2 0 186.343 2.106 20 0 AEADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCC(C)(C)C1 129574677 630831271 /nfs/dbraw/zinc/83/12/71/630831271.db2.gz DSYJCUHQBKZOGP-SNVBAGLBSA-N 2 0 198.354 2.282 20 0 AEADRP CCCCC[N@H+](C)C1CCC([NH3+])CC1 55144329 630831287 /nfs/dbraw/zinc/83/12/87/630831287.db2.gz WMTYKQWHQPJJEP-UHFFFAOYSA-N 2 0 198.354 2.378 20 0 AEADRP CC[C@H](C)C[N@H+](C)C1CCC([NH3+])CC1 55144332 630832542 /nfs/dbraw/zinc/83/25/42/630832542.db2.gz DGHHOTYBJCHSID-UNXYVOJBSA-N 2 0 198.354 2.234 20 0 AEADRP CCNCC[NH2+]C1CCCCCCC1 58851778 630850221 /nfs/dbraw/zinc/85/02/21/630850221.db2.gz SITLKJZELHCUFF-UHFFFAOYSA-N 2 0 198.354 2.298 20 0 AEADRP CCCC[NH2+]CC1(C)CC[NH+](C)CC1 226345389 630850929 /nfs/dbraw/zinc/85/09/29/630850929.db2.gz CVKMPFRFKFJSOW-UHFFFAOYSA-N 2 0 198.354 2.108 20 0 AEADRP C[N@H+](CCC[NH3+])C1CCCCCCC1 227744305 630859154 /nfs/dbraw/zinc/85/91/54/630859154.db2.gz ZDFWCNYJOKXCAG-UHFFFAOYSA-N 2 0 198.354 2.380 20 0 AEADRP CCC[N@H+](CC)C[C@]1(C)CCC[NH2+]C1 62861921 630882803 /nfs/dbraw/zinc/88/28/03/630882803.db2.gz MKNWCTCMMVYTPB-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP CCC[N@H+](CC)C[C@@]1(C)CCC[NH2+]C1 62861922 630883913 /nfs/dbraw/zinc/88/39/13/630883913.db2.gz MKNWCTCMMVYTPB-LBPRGKRZSA-N 2 0 198.354 2.108 20 0 AEADRP CC[N@H+](C[C@]1(C)CCC[NH2+]C1)C(C)C 62861903 630884206 /nfs/dbraw/zinc/88/42/06/630884206.db2.gz ROOJDBJBZKKRJX-GFCCVEGCSA-N 2 0 198.354 2.106 20 0 AEADRP CC[N@H+](C[C@@]1(C)CCC[NH2+]C1)C(C)C 62861904 630884297 /nfs/dbraw/zinc/88/42/97/630884297.db2.gz ROOJDBJBZKKRJX-LBPRGKRZSA-N 2 0 198.354 2.106 20 0 AEADRP CCCC[N@H+](C)C[C@]1(C)CCC[NH2+]C1 62861703 630885307 /nfs/dbraw/zinc/88/53/07/630885307.db2.gz YCTQZRXYVNHGLO-GFCCVEGCSA-N 2 0 198.354 2.108 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C 854232001 630985999 /nfs/dbraw/zinc/98/59/99/630985999.db2.gz MUTRTVKPEZLBNM-UWVGGRQHSA-N 2 0 186.343 2.009 20 0 AEADRP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C 854232002 630986853 /nfs/dbraw/zinc/98/68/53/630986853.db2.gz MUTRTVKPEZLBNM-VHSXEESVSA-N 2 0 186.343 2.009 20 0 AEADRP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C 854232000 630988598 /nfs/dbraw/zinc/98/85/98/630988598.db2.gz MUTRTVKPEZLBNM-NXEZZACHSA-N 2 0 186.343 2.009 20 0 AEADRP C[NH2+]C[C@H](C)[NH2+][C@H](C)CC(C)(C)C 854232003 630989519 /nfs/dbraw/zinc/98/95/19/630989519.db2.gz MUTRTVKPEZLBNM-ZJUUUORDSA-N 2 0 186.343 2.009 20 0 AEADRP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 873256464 631008011 /nfs/dbraw/zinc/00/80/11/631008011.db2.gz OCKZYBLIATUIDF-GMTAPVOTSA-N 2 0 198.354 2.138 20 0 AEADRP CC(C)CC[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 873258725 631008677 /nfs/dbraw/zinc/00/86/77/631008677.db2.gz SYCMNLAIUAMULN-SRVKXCTJSA-N 2 0 198.354 2.138 20 0 AEADRP CCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1(C)C 925650329 631047285 /nfs/dbraw/zinc/04/72/85/631047285.db2.gz NYRGCKCOAZVVSQ-JTQLQIEISA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)=CCC[NH2+][C@@H]1CC[NH2+]C1(C)C 925656047 631047320 /nfs/dbraw/zinc/04/73/20/631047320.db2.gz DOXYHWYUISTJIO-LLVKDONJSA-N 2 0 196.338 2.073 20 0 AEADRP CCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1(C)C 925650330 631047402 /nfs/dbraw/zinc/04/74/02/631047402.db2.gz NYRGCKCOAZVVSQ-SNVBAGLBSA-N 2 0 198.354 2.153 20 0 AEADRP CC(C)=CCC[NH2+][C@H]1CC[NH2+]C1(C)C 925656048 631048032 /nfs/dbraw/zinc/04/80/32/631048032.db2.gz DOXYHWYUISTJIO-NSHDSACASA-N 2 0 196.338 2.073 20 0 AEADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccoc1 925740296 631054106 /nfs/dbraw/zinc/05/41/06/631054106.db2.gz HYTJDUKRFDYZDD-VIFPVBQESA-N 2 0 196.294 2.058 20 0 AEADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccoc1 925740295 631054834 /nfs/dbraw/zinc/05/48/34/631054834.db2.gz HYTJDUKRFDYZDD-SECBINFHSA-N 2 0 196.294 2.058 20 0 AEADRP CCCCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 252698267 631166022 /nfs/dbraw/zinc/16/60/22/631166022.db2.gz MCORAVKLLXOEIN-VXGBXAGGSA-N 2 0 198.354 2.236 20 0 AEADRP CCCCCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 252778175 631166448 /nfs/dbraw/zinc/16/64/48/631166448.db2.gz PBWIAPIPJFACJP-RYUDHWBXSA-N 2 0 198.354 2.236 20 0 AEADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C)CC[N@@H+]1C 90720901 524804129 /nfs/dbraw/zinc/80/41/29/524804129.db2.gz ZMNCJIIMYYPNIY-QWRGUYRKSA-N 2 0 198.354 2.105 20 0 AEADRP CC(C)[NH2+]CCC[NH2+]CC1(C)CCC1 232635400 1224235675 /nfs/dbraw/zinc/23/56/75/1224235675.db2.gz SNTUSIVYRDPYBA-UHFFFAOYSA-N 2 0 198.354 2.154 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)CC(C)C 379669838 1224317028 /nfs/dbraw/zinc/31/70/28/1224317028.db2.gz HNAXVDVVPXLSHE-WDEREUQCSA-N 2 0 186.343 2.009 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+]C1CCCCCC1 379673770 1224317203 /nfs/dbraw/zinc/31/72/03/1224317203.db2.gz RNCJXJXDPVEJCZ-NSHDSACASA-N 2 0 198.354 2.297 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)CC(C)C 379669836 1224317262 /nfs/dbraw/zinc/31/72/62/1224317262.db2.gz HNAXVDVVPXLSHE-MNOVXSKESA-N 2 0 186.343 2.009 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+]C1CCCCCC1 379673769 1224317287 /nfs/dbraw/zinc/31/72/87/1224317287.db2.gz RNCJXJXDPVEJCZ-LLVKDONJSA-N 2 0 198.354 2.297 20 0 AEADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)CC(C)C 379669834 1224317710 /nfs/dbraw/zinc/31/77/10/1224317710.db2.gz HNAXVDVVPXLSHE-GHMZBOCLSA-N 2 0 186.343 2.009 20 0 AEADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)CC(C)C 379669837 1224317927 /nfs/dbraw/zinc/31/79/27/1224317927.db2.gz HNAXVDVVPXLSHE-QWRGUYRKSA-N 2 0 186.343 2.009 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]C/C=C/C1CC1 382242967 1224322423 /nfs/dbraw/zinc/32/24/23/1224322423.db2.gz GTIQKIRTJNLCDG-MALLOTDXSA-N 2 0 196.338 2.060 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]C/C=C\C1CC1 382242970 1224323036 /nfs/dbraw/zinc/32/30/36/1224323036.db2.gz GTIQKIRTJNLCDG-VLWUPBBWSA-N 2 0 196.338 2.060 20 0 AEADRP C[C@H](CCCC[NH3+])[NH2+]C/C=C/C1CC1 382242966 1224323538 /nfs/dbraw/zinc/32/35/38/1224323538.db2.gz GTIQKIRTJNLCDG-DUMNWFOQSA-N 2 0 196.338 2.060 20 0 AEADRP C[C@@H](CCCC[NH3+])[NH2+]C/C=C\C1CC1 382242968 1224323607 /nfs/dbraw/zinc/32/36/07/1224323607.db2.gz GTIQKIRTJNLCDG-QZPNVGJNSA-N 2 0 196.338 2.060 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CCC1CC1 398105753 1224339406 /nfs/dbraw/zinc/33/94/06/1224339406.db2.gz VPSJRFJWVQPDLX-QWRGUYRKSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CCC1CC1 398105749 1224339805 /nfs/dbraw/zinc/33/98/05/1224339805.db2.gz VPSJRFJWVQPDLX-GHMZBOCLSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CCC1CC1 398105755 1224340051 /nfs/dbraw/zinc/34/00/51/1224340051.db2.gz VPSJRFJWVQPDLX-WDEREUQCSA-N 2 0 198.354 2.010 20 0 AEADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CCC1CC1 398105751 1224340619 /nfs/dbraw/zinc/34/06/19/1224340619.db2.gz VPSJRFJWVQPDLX-MNOVXSKESA-N 2 0 198.354 2.010 20 0 AEADRP CCC(C)(C)[C@H](C)[NH2+]CCCC[NH3+] 1326473643 1224433127 /nfs/dbraw/zinc/43/31/27/1224433127.db2.gz MXWZNEHFFILUFK-JTQLQIEISA-N 2 0 186.343 2.140 20 0 AEADRP CCC(C)(C)[C@@H](C)[NH2+]CCCC[NH3+] 1326473644 1224433279 /nfs/dbraw/zinc/43/32/79/1224433279.db2.gz MXWZNEHFFILUFK-SNVBAGLBSA-N 2 0 186.343 2.140 20 0 AEADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCCCC1 84217300 527216751 /nfs/dbraw/zinc/21/67/51/527216751.db2.gz PTJZOYUTSWWNMD-CMPLNLGQSA-N 2 0 196.338 2.036 20 0 AEADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 84215414 527233225 /nfs/dbraw/zinc/23/32/25/527233225.db2.gz RTUFAYPAELAHGF-ZYHUDNBSSA-N 2 0 196.338 2.036 20 0 AEADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCCCC1 84217298 527235142 /nfs/dbraw/zinc/23/51/42/527235142.db2.gz PTJZOYUTSWWNMD-PWSUYJOCSA-N 2 0 196.338 2.036 20 0 AEADRP