smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](C)C[NH2+]C(C1CC1)C1CC1 20131448 537780251 /nfs/dbraw/zinc/78/02/51/537780251.db2.gz SUQCIXCFQKRHON-SNVBAGLBSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@H](C)C[NH2+]C(C)(C)CC 20085464 537780939 /nfs/dbraw/zinc/78/09/39/537780939.db2.gz SKXIOOBJXMTOJL-JTQLQIEISA-N 1 0 171.328 3.201 10 0 AGAERO CCC[C@@H](C)C[NH2+]C(CC)CC 20132997 537780990 /nfs/dbraw/zinc/78/09/90/537780990.db2.gz RVCZJOAHQBLEBE-SNVBAGLBSA-N 1 0 171.328 3.201 10 0 AGAERO CCC[C@H](C)C[NH2+]C(C1CC1)C1CC1 20131451 537781122 /nfs/dbraw/zinc/78/11/22/537781122.db2.gz SUQCIXCFQKRHON-JTQLQIEISA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@H](C)C[NH2+]C(CC)CC 20133000 537782437 /nfs/dbraw/zinc/78/24/37/537782437.db2.gz RVCZJOAHQBLEBE-JTQLQIEISA-N 1 0 171.328 3.201 10 0 AGAERO CCC[C@@H](C)C[NH2+]C(C)(C)CC 20085463 537782502 /nfs/dbraw/zinc/78/25/02/537782502.db2.gz SKXIOOBJXMTOJL-SNVBAGLBSA-N 1 0 171.328 3.201 10 0 AGAERO CCCCC[NH+](CCC)CCC 32162010 537790165 /nfs/dbraw/zinc/79/01/65/537790165.db2.gz CQHCAESRELTRNA-UHFFFAOYSA-N 1 0 171.328 3.299 10 0 AGAERO CCC[NH+](CCC)Cc1ccccc1 33961647 537791139 /nfs/dbraw/zinc/79/11/39/537791139.db2.gz YLFDIUNVGXCCPV-UHFFFAOYSA-N 1 0 191.318 3.309 10 0 AGAERO CC[NH2+][C@H](CC(C)C)c1cccs1 35545576 537797769 /nfs/dbraw/zinc/79/77/69/537797769.db2.gz CHQLFSDQYXNLRP-SNVBAGLBSA-N 1 0 197.347 3.445 10 0 AGAERO CC[NH2+][C@@H](CC(C)C)c1cccs1 35545574 537797969 /nfs/dbraw/zinc/79/79/69/537797969.db2.gz CHQLFSDQYXNLRP-JTQLQIEISA-N 1 0 197.347 3.445 10 0 AGAERO C[C@@H]1CCC[C@H](C=C2CCCCC2)[NH2+]1 675080161 537804610 /nfs/dbraw/zinc/80/46/10/537804610.db2.gz NTIXENLWHJSKHG-DGCLKSJQSA-N 1 0 193.334 3.408 10 0 AGAERO C[C@H]1CCC[C@H](C=C2CCCCC2)[NH2+]1 675080162 537804930 /nfs/dbraw/zinc/80/49/30/537804930.db2.gz NTIXENLWHJSKHG-WCQYABFASA-N 1 0 193.334 3.408 10 0 AGAERO C[C@@H]1CCC[C@@H](C=C2CCCCC2)[NH2+]1 675080163 537805210 /nfs/dbraw/zinc/80/52/10/537805210.db2.gz NTIXENLWHJSKHG-YPMHNXCESA-N 1 0 193.334 3.408 10 0 AGAERO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)o1 36959949 537805244 /nfs/dbraw/zinc/80/52/44/537805244.db2.gz QWCHHQZLRZHILG-MWLCHTKSSA-N 1 0 195.306 3.285 10 0 AGAERO C[C@H]1CCC[C@@H](C=C2CCCCC2)[NH2+]1 675080159 537806019 /nfs/dbraw/zinc/80/60/19/537806019.db2.gz NTIXENLWHJSKHG-AAEUAGOBSA-N 1 0 193.334 3.408 10 0 AGAERO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)o1 36959948 537806360 /nfs/dbraw/zinc/80/63/60/537806360.db2.gz QWCHHQZLRZHILG-ONGXEEELSA-N 1 0 195.306 3.285 10 0 AGAERO CC[C@H](C)C[NH2+][C@H](C)c1ccc(C)o1 36959950 537806672 /nfs/dbraw/zinc/80/66/72/537806672.db2.gz QWCHHQZLRZHILG-GXSJLCMTSA-N 1 0 195.306 3.285 10 0 AGAERO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)o1 36959947 537806887 /nfs/dbraw/zinc/80/68/87/537806887.db2.gz QWCHHQZLRZHILG-KOLCDFICSA-N 1 0 195.306 3.285 10 0 AGAERO CCC[NH2+]CCCC1CCCCC1 36947870 537806983 /nfs/dbraw/zinc/80/69/83/537806983.db2.gz NZFZQCNKONTQLI-UHFFFAOYSA-N 1 0 183.339 3.347 10 0 AGAERO CC[C@@H]([NH2+][C@H](C)c1ccco1)C(C)C 37260313 537809373 /nfs/dbraw/zinc/80/93/73/537809373.db2.gz ILDLZWLBTXVUJV-GHMZBOCLSA-N 1 0 195.306 3.365 10 0 AGAERO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 37260769 537811473 /nfs/dbraw/zinc/81/14/73/537811473.db2.gz MMXKUHSFVBDELW-CHWSQXEVSA-N 1 0 195.350 3.367 10 0 AGAERO CC[C@H]([NH2+][C@@H](C)C(C)C)C(C)C 37249678 537809544 /nfs/dbraw/zinc/80/95/44/537809544.db2.gz XGYQTUVDWKTNRX-QWRGUYRKSA-N 1 0 171.328 3.055 10 0 AGAERO CCCC[C@@H](C)[NH2+][C@@H](C)C(C)C 37249670 537809640 /nfs/dbraw/zinc/80/96/40/537809640.db2.gz ZUISFAFWLZXKFK-MNOVXSKESA-N 1 0 171.328 3.199 10 0 AGAERO CCC[C@@H](C)C[NH2+][C@H](C)CC(C)C 37260659 537809798 /nfs/dbraw/zinc/80/97/98/537809798.db2.gz IYEWFTJNIOZYQM-VXGBXAGGSA-N 1 0 185.355 3.447 10 0 AGAERO CCCC[C@H](C)[NH2+][C@H](C)C(C)C 37249676 537809968 /nfs/dbraw/zinc/80/99/68/537809968.db2.gz ZUISFAFWLZXKFK-WDEREUQCSA-N 1 0 171.328 3.199 10 0 AGAERO CCC[C@@H](C)C[NH2+][C@@H](C)CC(C)C 37260655 537810068 /nfs/dbraw/zinc/81/00/68/537810068.db2.gz IYEWFTJNIOZYQM-NEPJUHHUSA-N 1 0 185.355 3.447 10 0 AGAERO CC(C)C[C@H](C)[NH2+]C[C@H]1CC=CCC1 37260767 537810133 /nfs/dbraw/zinc/81/01/33/537810133.db2.gz MMXKUHSFVBDELW-STQMWFEESA-N 1 0 195.350 3.367 10 0 AGAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC(C)C 37260572 537810203 /nfs/dbraw/zinc/81/02/03/537810203.db2.gz CQCDYPHEWIWFKY-SDDRHHMPSA-N 1 0 185.355 3.445 10 0 AGAERO CCC(CC)[NH2+][C@H](CC)C(C)C 37186977 537810486 /nfs/dbraw/zinc/81/04/86/537810486.db2.gz KDLWWQCLRUYOPZ-LLVKDONJSA-N 1 0 171.328 3.199 10 0 AGAERO CCC[C@H](C)C[NH2+][C@H](C)CC(C)C 37260661 537810662 /nfs/dbraw/zinc/81/06/62/537810662.db2.gz IYEWFTJNIOZYQM-NWDGAFQWSA-N 1 0 185.355 3.447 10 0 AGAERO CC(C)C[C@@H](C)[NH2+]CC1CCCC1 37258109 537810718 /nfs/dbraw/zinc/81/07/18/537810718.db2.gz VUWSUHHQVSUSQW-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)C[C@H](C)[NH2+]C[C@@H]1CC=CCC1 37260771 537810885 /nfs/dbraw/zinc/81/08/85/537810885.db2.gz MMXKUHSFVBDELW-QWHCGFSZSA-N 1 0 195.350 3.367 10 0 AGAERO CC[C@H]([NH2+][C@H](C)C(C)C)C(C)C 37249682 537811073 /nfs/dbraw/zinc/81/10/73/537811073.db2.gz XGYQTUVDWKTNRX-MNOVXSKESA-N 1 0 171.328 3.055 10 0 AGAERO CCCC[C@@H](C)[NH2+][C@H](C)C(C)C 37249674 537811217 /nfs/dbraw/zinc/81/12/17/537811217.db2.gz ZUISFAFWLZXKFK-GHMZBOCLSA-N 1 0 171.328 3.199 10 0 AGAERO CCCCC[NH2+][C@@H](C)CCCC 37188822 537811343 /nfs/dbraw/zinc/81/13/43/537811343.db2.gz FPEIYRAMJNBBNP-NSHDSACASA-N 1 0 171.328 3.345 10 0 AGAERO CCCC[C@H](C)[NH2+][C@@H](C)C(C)C 37249672 537811360 /nfs/dbraw/zinc/81/13/60/537811360.db2.gz ZUISFAFWLZXKFK-QWRGUYRKSA-N 1 0 171.328 3.199 10 0 AGAERO CC[C@H](C)C[NH2+]CC1CCCCC1 37259368 537811381 /nfs/dbraw/zinc/81/13/81/537811381.db2.gz LQLRLRVWUIXCNQ-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CC(C)C[C@H](C)[NH2+]Cc1ccsc1 37264386 537811432 /nfs/dbraw/zinc/81/14/32/537811432.db2.gz NGPFRSOZBKUPGI-JTQLQIEISA-N 1 0 197.347 3.272 10 0 AGAERO CCC(CC)[NH2+][C@@H](CC)C(C)C 37186976 537811560 /nfs/dbraw/zinc/81/15/60/537811560.db2.gz KDLWWQCLRUYOPZ-NSHDSACASA-N 1 0 171.328 3.199 10 0 AGAERO CCC(CC)C[NH2+][C@H](C)CC(C)C 37264384 537811625 /nfs/dbraw/zinc/81/16/25/537811625.db2.gz RDOMONWBNCYCBT-LLVKDONJSA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@@H]([NH2+][C@H](C)C(C)C)C(C)C 37249684 537811706 /nfs/dbraw/zinc/81/17/06/537811706.db2.gz XGYQTUVDWKTNRX-GHMZBOCLSA-N 1 0 171.328 3.055 10 0 AGAERO CC[C@@H](C)C[NH2+]CC1CCCCC1 37259366 537811902 /nfs/dbraw/zinc/81/19/02/537811902.db2.gz LQLRLRVWUIXCNQ-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CCC(CC)C[NH2+][C@@H](C)CC(C)C 37264383 537812073 /nfs/dbraw/zinc/81/20/73/537812073.db2.gz RDOMONWBNCYCBT-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CC(C)C 37260576 537812308 /nfs/dbraw/zinc/81/23/08/537812308.db2.gz CQCDYPHEWIWFKY-SRVKXCTJSA-N 1 0 185.355 3.445 10 0 AGAERO CC(C)C[C@@H](C)[NH2+]Cc1ccsc1 37264385 537812338 /nfs/dbraw/zinc/81/23/38/537812338.db2.gz NGPFRSOZBKUPGI-SNVBAGLBSA-N 1 0 197.347 3.272 10 0 AGAERO CCCCC[NH2+][C@H](C)CCCC 37188823 537812481 /nfs/dbraw/zinc/81/24/81/537812481.db2.gz FPEIYRAMJNBBNP-LLVKDONJSA-N 1 0 171.328 3.345 10 0 AGAERO CC(C)C[C@@H](C)[NH2+]C[C@H]1CC=CCC1 37260765 537812488 /nfs/dbraw/zinc/81/24/88/537812488.db2.gz MMXKUHSFVBDELW-OLZOCXBDSA-N 1 0 195.350 3.367 10 0 AGAERO CC[C@@H]([NH2+][C@@H](C)C(C)C)C(C)C 37249680 537812543 /nfs/dbraw/zinc/81/25/43/537812543.db2.gz XGYQTUVDWKTNRX-WDEREUQCSA-N 1 0 171.328 3.055 10 0 AGAERO CC(C)C[C@H](C)[NH2+]CC1CCCC1 37258111 537812594 /nfs/dbraw/zinc/81/25/94/537812594.db2.gz VUWSUHHQVSUSQW-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H]([NH2+][C@H](C)c1ccco1)C(C)C 37260310 537812729 /nfs/dbraw/zinc/81/27/29/537812729.db2.gz ILDLZWLBTXVUJV-MNOVXSKESA-N 1 0 195.306 3.365 10 0 AGAERO CC[C@H]([NH2+][C@@H](C)c1ccco1)C(C)C 37260306 537812736 /nfs/dbraw/zinc/81/27/36/537812736.db2.gz ILDLZWLBTXVUJV-QWRGUYRKSA-N 1 0 195.306 3.365 10 0 AGAERO CCC[C@H](C)C[NH2+][C@@H](C)CC(C)C 37260657 537812834 /nfs/dbraw/zinc/81/28/34/537812834.db2.gz IYEWFTJNIOZYQM-RYUDHWBXSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 37468778 537818458 /nfs/dbraw/zinc/81/84/58/537818458.db2.gz WQRMDDVHHNKADP-JTQLQIEISA-N 1 0 195.281 3.195 10 0 AGAERO CC[C@@H](C)C[NH2+]CC(C)(C)C1CC1 685947484 537819246 /nfs/dbraw/zinc/81/92/46/537819246.db2.gz KRRNNBRFDLSASW-SNVBAGLBSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)[C@H](C)[NH2+]CCC1CCCC1 37739395 537819635 /nfs/dbraw/zinc/81/96/35/537819635.db2.gz RMRAUJDMBKIDPX-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)[NH2+]CCC1CCCC1 37739440 537819921 /nfs/dbraw/zinc/81/99/21/537819921.db2.gz YBKYNIWINRQALX-UHFFFAOYSA-N 1 0 183.339 3.345 10 0 AGAERO CC(C)[C@@H](C)[NH2+]CCC1CCCC1 37739394 537820174 /nfs/dbraw/zinc/82/01/74/537820174.db2.gz RMRAUJDMBKIDPX-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H](C)C[NH2+]CC(C)(C)C1CC1 685947480 537820611 /nfs/dbraw/zinc/82/06/11/537820611.db2.gz KRRNNBRFDLSASW-JTQLQIEISA-N 1 0 183.339 3.058 10 0 AGAERO CCCCC[NH2+]CCC(C)(C)C 37488663 537820724 /nfs/dbraw/zinc/82/07/24/537820724.db2.gz FQGVAZXGMACDCO-UHFFFAOYSA-N 1 0 171.328 3.202 10 0 AGAERO CC[C@H](C)C[NH2+]CCC1CCCC1 37739606 537821228 /nfs/dbraw/zinc/82/12/28/537821228.db2.gz FULLNTATEKYASY-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@@H](C)C[NH2+]CCC1CCCC1 37739605 537821339 /nfs/dbraw/zinc/82/13/39/537821339.db2.gz FULLNTATEKYASY-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@H](C)[NH2+]CCCC1CCCC1 38065455 537823120 /nfs/dbraw/zinc/82/31/20/537823120.db2.gz GDFFPGAXIUWMMX-NSHDSACASA-N 1 0 183.339 3.345 10 0 AGAERO CC(C)CC[NH2+]CC(C)(C)C1CC1 685947625 537823988 /nfs/dbraw/zinc/82/39/88/537823988.db2.gz MWHHBUOCFQVFHB-UHFFFAOYSA-N 1 0 183.339 3.058 10 0 AGAERO CC[C@@H](C)[NH2+]CCCC1CCCC1 38065454 537826182 /nfs/dbraw/zinc/82/61/82/537826182.db2.gz GDFFPGAXIUWMMX-LLVKDONJSA-N 1 0 183.339 3.345 10 0 AGAERO CCC(CC)C1=CC[C@@]2(CC1)C[C@@H]2[NH3+] 685950047 537828173 /nfs/dbraw/zinc/82/81/73/537828173.db2.gz GBPNIPBBAPKIOV-QWHCGFSZSA-N 1 0 193.334 3.250 10 0 AGAERO CCC(CC)C1CCC2(CC1)C[C@H]2[NH3+] 685950498 537828353 /nfs/dbraw/zinc/82/83/53/537828353.db2.gz RRUZLNGXKNOXFE-OTTFEQOBSA-N 1 0 195.350 3.330 10 0 AGAERO CCC(CC)C1=CC[C@]2(CC1)C[C@@H]2[NH3+] 685950048 537829593 /nfs/dbraw/zinc/82/95/93/537829593.db2.gz GBPNIPBBAPKIOV-STQMWFEESA-N 1 0 193.334 3.250 10 0 AGAERO CCC(CC)C1=CC[C@]2(CC1)C[C@H]2[NH3+] 685950046 537829714 /nfs/dbraw/zinc/82/97/14/537829714.db2.gz GBPNIPBBAPKIOV-OLZOCXBDSA-N 1 0 193.334 3.250 10 0 AGAERO CCC(CC)C1=CC[C@@]2(CC1)C[C@H]2[NH3+] 685950044 537829869 /nfs/dbraw/zinc/82/98/69/537829869.db2.gz GBPNIPBBAPKIOV-CHWSQXEVSA-N 1 0 193.334 3.250 10 0 AGAERO CCC(CC)C1CCC2(CC1)C[C@@H]2[NH3+] 685950495 537829884 /nfs/dbraw/zinc/82/98/84/537829884.db2.gz RRUZLNGXKNOXFE-CPCZMJQVSA-N 1 0 195.350 3.330 10 0 AGAERO C[C@]([NH3+])(CC1CC1)C1CCCCC1 685951886 537830808 /nfs/dbraw/zinc/83/08/08/537830808.db2.gz KYFTVMMTECCSHI-LBPRGKRZSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@@]([NH3+])(CC1CC1)C1CCCCC1 685951885 537832255 /nfs/dbraw/zinc/83/22/55/537832255.db2.gz KYFTVMMTECCSHI-GFCCVEGCSA-N 1 0 181.323 3.084 10 0 AGAERO Cc1ccsc1C[NH+]1CCCCC1 39341948 537833629 /nfs/dbraw/zinc/83/36/29/537833629.db2.gz GGZCYLGNGJUHAL-UHFFFAOYSA-N 1 0 195.331 3.042 10 0 AGAERO [NH3+]CCCCCCCCCC1CC1 685951605 537833781 /nfs/dbraw/zinc/83/37/81/537833781.db2.gz COIMWJQQLZGNJA-UHFFFAOYSA-N 1 0 183.339 3.476 10 0 AGAERO CC(C)CC[C@H](C)[NH2+]CC(C)(C)C 40492649 537834002 /nfs/dbraw/zinc/83/40/02/537834002.db2.gz RGVSLWDFXHGPQL-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)C(C)C 42319834 537841086 /nfs/dbraw/zinc/84/10/86/537841086.db2.gz XPGQEPIHZIFSCJ-SRVKXCTJSA-N 1 0 185.355 3.445 10 0 AGAERO CCC[NH2+][C@H](C)CCC1CCCC1 42011497 537842405 /nfs/dbraw/zinc/84/24/05/537842405.db2.gz DTPMKUBMUHAWFF-LLVKDONJSA-N 1 0 183.339 3.345 10 0 AGAERO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cccs1 45115751 537849641 /nfs/dbraw/zinc/84/96/41/537849641.db2.gz MOXNHQJESSBLHY-WCBMZHEXSA-N 1 0 195.331 3.197 10 0 AGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC2(C)C)o1 45115303 537853782 /nfs/dbraw/zinc/85/37/82/537853782.db2.gz WZQYEJKLVUYLQH-GXSJLCMTSA-N 1 0 193.290 3.037 10 0 AGAERO CC(C)c1cc(C[NH3+])c(C(C)(C)C)o1 77078501 537871509 /nfs/dbraw/zinc/87/15/09/537871509.db2.gz ANEBXVNDVBYVDG-UHFFFAOYSA-N 1 0 195.306 3.159 10 0 AGAERO CC(C)C[NH2+][C@@H]1CCC[C@@H]2C[C@H]2CC1 725241482 537888541 /nfs/dbraw/zinc/88/85/41/537888541.db2.gz GDMDOWSHHUGVKQ-JHJVBQTASA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[NH2+][C@@H]1CCC[C@H]2C[C@@H]2CC1 725241483 537888752 /nfs/dbraw/zinc/88/87/52/537888752.db2.gz GDMDOWSHHUGVKQ-RWMBFGLXSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[NH2+][C@@H]1CCC[C@H]2C[C@H]2CC1 725241484 537889351 /nfs/dbraw/zinc/88/93/51/537889351.db2.gz GDMDOWSHHUGVKQ-YNEHKIRRSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[NH2+][C@@H]1CCC=CCCC1 725241680 537889634 /nfs/dbraw/zinc/88/96/34/537889634.db2.gz MLQWBWBAKFGSCB-GFCCVEGCSA-N 1 0 181.323 3.121 10 0 AGAERO CC(C)C[NH2+][C@H]1CCC=CCCC1 725241681 537889640 /nfs/dbraw/zinc/88/96/40/537889640.db2.gz MLQWBWBAKFGSCB-LBPRGKRZSA-N 1 0 181.323 3.121 10 0 AGAERO CC(C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]2CC1 725241480 537889656 /nfs/dbraw/zinc/88/96/56/537889656.db2.gz GDMDOWSHHUGVKQ-FRRDWIJNSA-N 1 0 195.350 3.201 10 0 AGAERO CC1(C)CCC(C(C)(C)C[NH3+])CC1 725261366 537924431 /nfs/dbraw/zinc/92/44/31/537924431.db2.gz IXCNHXVZBFFTQI-UHFFFAOYSA-N 1 0 183.339 3.188 10 0 AGAERO C[C@H]1C[C@@H](C(C)(C)C[NH3+])CC(C)(C)C1 725261305 537924761 /nfs/dbraw/zinc/92/47/61/537924761.db2.gz DSUFDKFWUCCUEX-WDEREUQCSA-N 1 0 197.366 3.434 10 0 AGAERO CC1(C)CCC[C@@H](C(C)(C)C[NH3+])C1 725261515 537925336 /nfs/dbraw/zinc/92/53/36/537925336.db2.gz XZBIYRGQLUYQFO-SNVBAGLBSA-N 1 0 183.339 3.188 10 0 AGAERO C[C@@H]1C[C@H](C(C)(C)[NH3+])CC(C)(C)C1 725261453 537925359 /nfs/dbraw/zinc/92/53/59/537925359.db2.gz PDVTXBAZFWKCBO-ZJUUUORDSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@@H]1C[C@@H](C(C)(C)[NH3+])CC(C)(C)C1 725261450 537925604 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181.323 3.073 10 0 AGAERO CC[C@H]([NH2+][C@H]1CC[C@H]1CC)C(C)C 379404867 538395581 /nfs/dbraw/zinc/39/55/81/538395581.db2.gz SABLQBPMJACHNA-WOPDTQHZSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@@H]([NH2+][C@@H]1CC[C@H]1CC)C(C)C 379404865 538397210 /nfs/dbraw/zinc/39/72/10/538397210.db2.gz SABLQBPMJACHNA-IJLUTSLNSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@@H]([NH2+][C@H]1CC[C@H]1CC)C(C)C 379404866 538398516 /nfs/dbraw/zinc/39/85/16/538398516.db2.gz SABLQBPMJACHNA-UTUOFQBUSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)C(C)C 379404864 538398613 /nfs/dbraw/zinc/39/86/13/538398613.db2.gz SABLQBPMJACHNA-GRYCIOLGSA-N 1 0 183.339 3.199 10 0 AGAERO CCC[C@H](C)C[NH2+]C(C)(C)C(F)F 379403704 538398755 /nfs/dbraw/zinc/39/87/55/538398755.db2.gz PYHQONWHCTXFJC-QMMMGPOBSA-N 1 0 193.281 3.056 10 0 AGAERO CCC[C@@H](C)C[NH2+]C(C)(C)C(F)F 379403703 538398868 /nfs/dbraw/zinc/39/88/68/538398868.db2.gz PYHQONWHCTXFJC-MRVPVSSYSA-N 1 0 193.281 3.056 10 0 AGAERO CC[C@@H]([NH2+]CC[C@H](C)F)C(C)(C)C 379408133 538399836 /nfs/dbraw/zinc/39/98/36/538399836.db2.gz AMQRLCOCJQRCCH-VHSXEESVSA-N 1 0 189.318 3.149 10 0 AGAERO CC[C@H]([NH2+]CC[C@H](C)F)C(C)(C)C 379408132 538401202 /nfs/dbraw/zinc/40/12/02/538401202.db2.gz AMQRLCOCJQRCCH-UWVGGRQHSA-N 1 0 189.318 3.149 10 0 AGAERO CC[C@@H]([NH2+]CC[C@@H](C)F)C(C)(C)C 379408131 538401265 /nfs/dbraw/zinc/40/12/65/538401265.db2.gz AMQRLCOCJQRCCH-NXEZZACHSA-N 1 0 189.318 3.149 10 0 AGAERO CC(C)[C@@H](C)C[NH2+]C1CC(C)(C)C1 379406234 538401310 /nfs/dbraw/zinc/40/13/10/538401310.db2.gz VZJAIVPRQFTTAU-JTQLQIEISA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@H]([NH2+]CC[C@@H](C)F)C(C)(C)C 379408134 538401829 /nfs/dbraw/zinc/40/18/29/538401829.db2.gz AMQRLCOCJQRCCH-ZJUUUORDSA-N 1 0 189.318 3.149 10 0 AGAERO CC(C)[C@H](C)C[NH2+]C1CC(C)(C)C1 379406235 538402185 /nfs/dbraw/zinc/40/21/85/538402185.db2.gz VZJAIVPRQFTTAU-SNVBAGLBSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@H](C)[NH2+][C@@H](CC)CC(F)(F)F 379409450 538403134 /nfs/dbraw/zinc/40/31/34/538403134.db2.gz 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CC[C@H]([NH2+]C[C@H]1C[C@H]1C)C(C)(C)C 379411924 538405869 /nfs/dbraw/zinc/40/58/69/538405869.db2.gz JDOKHPYUCNNUAW-MXWKQRLJSA-N 1 0 183.339 3.057 10 0 AGAERO CCC[C@@H](C)C[N@H+]1CC=C(C)CC1 379413409 538406030 /nfs/dbraw/zinc/40/60/30/538406030.db2.gz LVXZAWCVCMSASZ-GFCCVEGCSA-N 1 0 181.323 3.075 10 0 AGAERO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)C(C)(C)C 379411925 538406235 /nfs/dbraw/zinc/40/62/35/538406235.db2.gz JDOKHPYUCNNUAW-VWYCJHECSA-N 1 0 183.339 3.057 10 0 AGAERO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1CC 379412180 538406393 /nfs/dbraw/zinc/40/63/93/538406393.db2.gz JRXOIFCWDMBJQA-NEPJUHHUSA-N 1 0 183.339 3.297 10 0 AGAERO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)C(C)(C)C 379411922 538406469 /nfs/dbraw/zinc/40/64/69/538406469.db2.gz JDOKHPYUCNNUAW-AXFHLTTASA-N 1 0 183.339 3.057 10 0 AGAERO CC/C=C\CC[N@@H+]1CCCC1(C)C 379413588 538406655 /nfs/dbraw/zinc/40/66/55/538406655.db2.gz MBBQMMVCBCFMPC-WAYWQWQTSA-N 1 0 181.323 3.217 10 0 AGAERO CC[C@H]([NH2+]CC=C(C)C)C(C)(C)C 379412178 538406721 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AGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[C@@H]1C 388311640 538430772 /nfs/dbraw/zinc/43/07/72/538430772.db2.gz RZIVBTGSILGSKW-BJDJZHNGSA-N 1 0 183.339 3.199 10 0 AGAERO CCCCC[N@H+](CC)CC1CCC1 388333361 538431419 /nfs/dbraw/zinc/43/14/19/538431419.db2.gz GGCQRGPATGPXKD-UHFFFAOYSA-N 1 0 183.339 3.299 10 0 AGAERO CCC[C@H](C)C[N@H+](C)[C@@H](C)C1CC1 388271686 538430996 /nfs/dbraw/zinc/43/09/96/538430996.db2.gz HHZUSDGQOHANJY-QWRGUYRKSA-N 1 0 183.339 3.153 10 0 AGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[C@H]1C 388311642 538431107 /nfs/dbraw/zinc/43/11/07/538431107.db2.gz RZIVBTGSILGSKW-USZNOCQGSA-N 1 0 183.339 3.199 10 0 AGAERO CCC[C@@H](C)C[N@H+](C)[C@H](C)C1CC1 388271684 538431158 /nfs/dbraw/zinc/43/11/58/538431158.db2.gz HHZUSDGQOHANJY-GHMZBOCLSA-N 1 0 183.339 3.153 10 0 AGAERO CCC[C@@H](C)C[N@H+](C)[C@@H](C)C1CC1 388271685 538431249 /nfs/dbraw/zinc/43/12/49/538431249.db2.gz HHZUSDGQOHANJY-MNOVXSKESA-N 1 0 183.339 3.153 10 0 AGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@@H]1C 388311641 538431291 /nfs/dbraw/zinc/43/12/91/538431291.db2.gz RZIVBTGSILGSKW-FIQHERPVSA-N 1 0 183.339 3.199 10 0 AGAERO CCCC(CCC)[NH2+][C@H]1CC[C@@H]1C 388586649 538434198 /nfs/dbraw/zinc/43/41/98/538434198.db2.gz IOBPJJGFNCEMLC-JQWIXIFHSA-N 1 0 183.339 3.343 10 0 AGAERO CCC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 388624694 538435252 /nfs/dbraw/zinc/43/52/52/538435252.db2.gz IPUQGGLOCOVCBT-SDDRHHMPSA-N 1 0 183.339 3.010 10 0 AGAERO CCCC(CCC)[NH2+][C@@H]1CC[C@@H]1C 388586648 538434282 /nfs/dbraw/zinc/43/42/82/538434282.db2.gz IOBPJJGFNCEMLC-CMPLNLGQSA-N 1 0 183.339 3.343 10 0 AGAERO C[C@H]1C[C@@H]1[NH2+][C@H](C)CCC(C)(C)C 388608292 538434364 /nfs/dbraw/zinc/43/43/64/538434364.db2.gz WTVCFFFWKBZKLH-AXFHLTTASA-N 1 0 183.339 3.199 10 0 AGAERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[C@H]1C 388608295 538434434 /nfs/dbraw/zinc/43/44/34/538434434.db2.gz WTVCFFFWKBZKLH-MXWKQRLJSA-N 1 0 183.339 3.199 10 0 AGAERO CCC(CC)[NH2+]Cc1csc(C)c1 388600129 538434499 /nfs/dbraw/zinc/43/44/99/538434499.db2.gz QPZZIKZDRPFHGI-UHFFFAOYSA-N 1 0 197.347 3.335 10 0 AGAERO CC[NH+](CC)CC1CCCCCC1 388616366 538434523 /nfs/dbraw/zinc/43/45/23/538434523.db2.gz AUZOQXCIXXWRFK-UHFFFAOYSA-N 1 0 183.339 3.299 10 0 AGAERO CCCC[C@H](CC)[NH2+][C@H]1CC[C@H]1C 388606310 538434533 /nfs/dbraw/zinc/43/45/33/538434533.db2.gz VNVMUQXKVPKQGY-WOPDTQHZSA-N 1 0 183.339 3.343 10 0 AGAERO CCCC[C@H](CC)[NH2+][C@@H]1CC[C@H]1C 388606306 538434573 /nfs/dbraw/zinc/43/45/73/538434573.db2.gz VNVMUQXKVPKQGY-GRYCIOLGSA-N 1 0 183.339 3.343 10 0 AGAERO CCCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]1C 388606308 538434601 /nfs/dbraw/zinc/43/46/01/538434601.db2.gz VNVMUQXKVPKQGY-SDDRHHMPSA-N 1 0 183.339 3.343 10 0 AGAERO CCCC[C@H](CC)[NH2+][C@H]1CC[C@@H]1C 388606309 538434607 /nfs/dbraw/zinc/43/46/07/538434607.db2.gz VNVMUQXKVPKQGY-SRVKXCTJSA-N 1 0 183.339 3.343 10 0 AGAERO C[C@H]1C[C@H]1[NH2+][C@H](C)CCC(C)(C)C 388608294 538434778 /nfs/dbraw/zinc/43/47/78/538434778.db2.gz WTVCFFFWKBZKLH-HBNTYKKESA-N 1 0 183.339 3.199 10 0 AGAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@H]1C 388608293 538434797 /nfs/dbraw/zinc/43/47/97/538434797.db2.gz WTVCFFFWKBZKLH-GMTAPVOTSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@@H]([NH2+]CCC(C)C)C(C)(C)C 388632030 538434913 /nfs/dbraw/zinc/43/49/13/538434913.db2.gz LGQZIRUOKJXHBB-LLVKDONJSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@H](C)C[NH+]1C[C@@H](C)[C@H](C)C1 388624693 538434939 /nfs/dbraw/zinc/43/49/39/538434939.db2.gz IPUQGGLOCOVCBT-QJPTWQEYSA-N 1 0 183.339 3.010 10 0 AGAERO CCC[C@H](C)C[NH+]1C[C@H](C)[C@@H](C)C1 388624695 538434961 /nfs/dbraw/zinc/43/49/61/538434961.db2.gz IPUQGGLOCOVCBT-SRVKXCTJSA-N 1 0 183.339 3.010 10 0 AGAERO CCC[C@@H](C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 388624696 538435279 /nfs/dbraw/zinc/43/52/79/538435279.db2.gz IPUQGGLOCOVCBT-UTUOFQBUSA-N 1 0 183.339 3.010 10 0 AGAERO CC[C@H]([NH2+]CCC(C)C)C(C)(C)C 388632032 538435318 /nfs/dbraw/zinc/43/53/18/538435318.db2.gz LGQZIRUOKJXHBB-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)[NH2+][C@H]1CC12CCCC2 388651654 538435460 /nfs/dbraw/zinc/43/54/60/538435460.db2.gz RXYNGGFVMFQYLF-NSHDSACASA-N 1 0 181.323 3.097 10 0 AGAERO CCC(CC)[NH2+][C@@H]1CC12CCCC2 388651653 538435623 /nfs/dbraw/zinc/43/56/23/538435623.db2.gz RXYNGGFVMFQYLF-LLVKDONJSA-N 1 0 181.323 3.097 10 0 AGAERO CC(C)[C@H](C)C[NH2+]CC1(C)CCC1 388703925 538436536 /nfs/dbraw/zinc/43/65/36/538436536.db2.gz NYDQECHFEZZRCE-LLVKDONJSA-N 1 0 183.339 3.058 10 0 AGAERO CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(C)C 388683787 538436028 /nfs/dbraw/zinc/43/60/28/538436028.db2.gz JKCFMFVAYSPGQA-AXFHLTTASA-N 1 0 183.339 3.199 10 0 AGAERO CC(C)[C@@H](C)C[NH2+]CC1(C)CCC1 388703927 538436549 /nfs/dbraw/zinc/43/65/49/538436549.db2.gz NYDQECHFEZZRCE-NSHDSACASA-N 1 0 183.339 3.058 10 0 AGAERO CC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 388727755 538436552 /nfs/dbraw/zinc/43/65/52/538436552.db2.gz BVGDEESKTJZCEH-LBPRGKRZSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)CC[NH2+][C@H](C(C)C)C1CC1 388688465 538436171 /nfs/dbraw/zinc/43/61/71/538436171.db2.gz KGTHALVPRWIFJB-GFCCVEGCSA-N 1 0 183.339 3.057 10 0 AGAERO CCC[C@@H](C)[NH2+]CCC1(F)CCC1 388700344 538436225 /nfs/dbraw/zinc/43/62/25/538436225.db2.gz NBDYJWGHTUJGIL-SNVBAGLBSA-N 1 0 187.302 3.047 10 0 AGAERO CCC[C@H](C)[NH2+][C@H](C)[C@H]1CC1(C)C 388683792 538436226 /nfs/dbraw/zinc/43/62/26/538436226.db2.gz JKCFMFVAYSPGQA-HBNTYKKESA-N 1 0 183.339 3.199 10 0 AGAERO CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(C)C 388683790 538436233 /nfs/dbraw/zinc/43/62/33/538436233.db2.gz JKCFMFVAYSPGQA-GARJFASQSA-N 1 0 183.339 3.199 10 0 AGAERO CCC[C@H](C)[NH2+]CCC1(F)CCC1 388700342 538436313 /nfs/dbraw/zinc/43/63/13/538436313.db2.gz NBDYJWGHTUJGIL-JTQLQIEISA-N 1 0 187.302 3.047 10 0 AGAERO CC(C)(C)CC[NH2+]C(C)(C)C(F)F 388687731 538436314 /nfs/dbraw/zinc/43/63/14/538436314.db2.gz KAYCDRIQZVAQHY-UHFFFAOYSA-N 1 0 193.281 3.056 10 0 AGAERO CC(C)CC[NH2+][C@@H](C(C)C)C1CC1 388688466 538436334 /nfs/dbraw/zinc/43/63/34/538436334.db2.gz KGTHALVPRWIFJB-LBPRGKRZSA-N 1 0 183.339 3.057 10 0 AGAERO CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(C)C 388683788 538436450 /nfs/dbraw/zinc/43/64/50/538436450.db2.gz JKCFMFVAYSPGQA-DCAQKATOSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 388727754 538436956 /nfs/dbraw/zinc/43/69/56/538436956.db2.gz BVGDEESKTJZCEH-GFCCVEGCSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@H]([NH2+]C[C@@H]1CC1(C)C)C(C)(C)C 388763012 538437047 /nfs/dbraw/zinc/43/70/47/538437047.db2.gz WHUBWIHDWXHSCF-WDEREUQCSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H](C)C[NH2+][C@H]1CC2CCC1CC2 388766307 538437049 /nfs/dbraw/zinc/43/70/49/538437049.db2.gz YFDJPHXBDXZROU-XVSSEFHLSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@H]([NH2+]C[C@H]1CC1(C)C)C(C)(C)C 388763007 538437161 /nfs/dbraw/zinc/43/71/61/538437161.db2.gz WHUBWIHDWXHSCF-MNOVXSKESA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@H](C)C[NH2+]C1CCC2(CC1)CC2 388742354 538437187 /nfs/dbraw/zinc/43/71/87/538437187.db2.gz KGMAWSGJJUQDLK-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@H](C)C[NH2+][C@H]1CC2CCC1CC2 388766303 538437201 /nfs/dbraw/zinc/43/72/01/538437201.db2.gz YFDJPHXBDXZROU-WTIISPKJSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@H](C)C[NH2+]C1CCC2(CC1)CC2 388742351 538437256 /nfs/dbraw/zinc/43/72/56/538437256.db2.gz KGMAWSGJJUQDLK-LLVKDONJSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@H]([NH2+]C[C@@H]1CC1(C)C)C(C)(C)C 388763008 538437336 /nfs/dbraw/zinc/43/73/36/538437336.db2.gz WHUBWIHDWXHSCF-QWRGUYRKSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@H](C)C[NH2+][C@@H]1CC2CCC1CC2 388766310 538437411 /nfs/dbraw/zinc/43/74/11/538437411.db2.gz YFDJPHXBDXZROU-YWPUVAFDSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@H]([NH2+]C[C@H]1CC1(C)C)C(C)(C)C 388763004 538437519 /nfs/dbraw/zinc/43/75/19/538437519.db2.gz WHUBWIHDWXHSCF-GHMZBOCLSA-N 1 0 197.366 3.447 10 0 AGAERO CC[N@H+](C)CCCC1CCCCC1 388883114 538438128 /nfs/dbraw/zinc/43/81/28/538438128.db2.gz JGOJDMXXDUDHCW-UHFFFAOYSA-N 1 0 183.339 3.299 10 0 AGAERO C[C@H]1C[C@@H](C)[N@@H+]1CCCC(C)(C)C 388887527 538438203 /nfs/dbraw/zinc/43/82/03/538438203.db2.gz KLGFITPOLYTQOH-PHIMTYICSA-N 1 0 183.339 3.295 10 0 AGAERO C[C@@H]1C[C@@H](C)[NH+]1CCCC(C)(C)C 388887525 538438226 /nfs/dbraw/zinc/43/82/26/538438226.db2.gz KLGFITPOLYTQOH-GHMZBOCLSA-N 1 0 183.339 3.295 10 0 AGAERO C[C@H]1C[C@H](C)[NH+]1CCCC(C)(C)C 388887530 538438244 /nfs/dbraw/zinc/43/82/44/538438244.db2.gz KLGFITPOLYTQOH-QWRGUYRKSA-N 1 0 183.339 3.295 10 0 AGAERO CCC[C@H](C)C[NH+]1CCC(C)CC1 388883181 538438351 /nfs/dbraw/zinc/43/83/51/538438351.db2.gz JHSDWEHIAOJUND-LBPRGKRZSA-N 1 0 183.339 3.155 10 0 AGAERO CC(C)[C@@H](C)[N@H+](C)CCCCCF 388859470 538438424 /nfs/dbraw/zinc/43/84/24/538438424.db2.gz DMKJNILTMJQHQJ-LLVKDONJSA-N 1 0 189.318 3.103 10 0 AGAERO CCC[C@@H](C)C[NH+]1CCC(C)CC1 388883179 538438485 /nfs/dbraw/zinc/43/84/85/538438485.db2.gz JHSDWEHIAOJUND-GFCCVEGCSA-N 1 0 183.339 3.155 10 0 AGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@@H]1CC1(C)C 389195484 538438574 /nfs/dbraw/zinc/43/85/74/538438574.db2.gz AGVNQRDEWNAMCJ-USZNOCQGSA-N 1 0 195.350 3.199 10 0 AGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H]1CC1(C)C 389195485 538438688 /nfs/dbraw/zinc/43/86/88/538438688.db2.gz AGVNQRDEWNAMCJ-WYUUTHIRSA-N 1 0 195.350 3.199 10 0 AGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@H]1CC1(C)C 389195181 538438781 /nfs/dbraw/zinc/43/87/81/538438781.db2.gz AGVNQRDEWNAMCJ-QCNOEVLYSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@@H]1C 388898630 538438818 /nfs/dbraw/zinc/43/88/18/538438818.db2.gz MXUNXZSQEJVDQV-SDDRHHMPSA-N 1 0 181.323 3.119 10 0 AGAERO CC(C)=CCC[C@H](C)[NH2+][C@H]1C[C@H]1C 388898635 538438851 /nfs/dbraw/zinc/43/88/51/538438851.db2.gz MXUNXZSQEJVDQV-WOPDTQHZSA-N 1 0 181.323 3.119 10 0 AGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H]1CC1(C)C 389195180 538438943 /nfs/dbraw/zinc/43/89/43/538438943.db2.gz AGVNQRDEWNAMCJ-KKOKHZNYSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)CCC[NH2+][C@H]1CC12CCCC2 389199011 538439417 /nfs/dbraw/zinc/43/94/17/538439417.db2.gz CGWQYJFBUAHRSR-LBPRGKRZSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@H]1CCC[C@H]1[NH2+]CC1CCC1 389225381 538439129 /nfs/dbraw/zinc/43/91/29/538439129.db2.gz PRYVZGQVKZVQDP-QWHCGFSZSA-N 1 0 195.350 3.345 10 0 AGAERO C[C@H](CCC1CCCC1)[NH2+]C1CCC1 389207478 538439164 /nfs/dbraw/zinc/43/91/64/538439164.db2.gz HEVXNXUDAUAQAI-LLVKDONJSA-N 1 0 195.350 3.487 10 0 AGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C 389198985 538439176 /nfs/dbraw/zinc/43/91/76/538439176.db2.gz CGRCVNRZKTZLLG-RNJOBUHISA-N 1 0 195.350 3.343 10 0 AGAERO CC(C)[C@H]1CCC[C@H]1[NH2+]CC1(C)CC1 389240528 538439597 /nfs/dbraw/zinc/43/95/97/538439597.db2.gz YBCVKDHIYVQCRO-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO CCCC1(C[NH2+]CC2(F)CC2)CCC1 389221012 538439204 /nfs/dbraw/zinc/43/92/04/538439204.db2.gz NESUSCYMZHVEOI-UHFFFAOYSA-N 1 0 199.313 3.049 10 0 AGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H]1C 389198984 538439272 /nfs/dbraw/zinc/43/92/72/538439272.db2.gz CGRCVNRZKTZLLG-NDBYEHHHSA-N 1 0 195.350 3.343 10 0 AGAERO CC(C)CCC[NH2+][C@@H]1CC12CCCC2 389199007 538439339 /nfs/dbraw/zinc/43/93/39/538439339.db2.gz CGWQYJFBUAHRSR-GFCCVEGCSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C 389198981 538439341 /nfs/dbraw/zinc/43/93/41/538439341.db2.gz CGRCVNRZKTZLLG-LPWJVIDDSA-N 1 0 195.350 3.343 10 0 AGAERO CC1(C[NH2+]CC2(F)CC2)CCCCC1 389227261 538439392 /nfs/dbraw/zinc/43/93/92/538439392.db2.gz RCNFNBXIXYXWEQ-UHFFFAOYSA-N 1 0 199.313 3.049 10 0 AGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C 389198980 538439435 /nfs/dbraw/zinc/43/94/35/538439435.db2.gz CGRCVNRZKTZLLG-LOWDOPEQSA-N 1 0 195.350 3.343 10 0 AGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCC1 389225380 538439446 /nfs/dbraw/zinc/43/94/46/538439446.db2.gz PRYVZGQVKZVQDP-OLZOCXBDSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1CCC1 389225379 538439447 /nfs/dbraw/zinc/43/94/47/538439447.db2.gz PRYVZGQVKZVQDP-CHWSQXEVSA-N 1 0 195.350 3.345 10 0 AGAERO C[C@@H](CCC1CCCC1)[NH2+]C1CCC1 389207480 538439497 /nfs/dbraw/zinc/43/94/97/538439497.db2.gz HEVXNXUDAUAQAI-NSHDSACASA-N 1 0 195.350 3.487 10 0 AGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1CCC1 389225382 538439512 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183.339 3.188 10 0 AGAERO Cc1ccc(C)c([C@@H](C)[C@@H](C)C[NH3+])c1 87938972 573017461 /nfs/dbraw/zinc/01/74/61/573017461.db2.gz XCNVELWWDSJLII-RYUDHWBXSA-N 1 0 191.318 3.002 10 0 AGAERO C[C@@H](CC[NH3+])C1C[C@H](C)C[C@@H](C)C1 87937170 573017740 /nfs/dbraw/zinc/01/77/40/573017740.db2.gz GSUPIRAMUKQANN-MXWKQRLJSA-N 1 0 183.339 3.044 10 0 AGAERO C[C@H](c1cccc(Cl)c1)[C@@H](C)C[NH3+] 87938876 573017789 /nfs/dbraw/zinc/01/77/89/573017789.db2.gz XMLNHUTZXAVEIA-IUCAKERBSA-N 1 0 197.709 3.038 10 0 AGAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](C(C)(C)C)C1 87936494 573017825 /nfs/dbraw/zinc/01/78/25/573017825.db2.gz DYHVSQRIPGXEBO-UTUOFQBUSA-N 1 0 197.366 3.432 10 0 AGAERO C[C@H]1C[C@H](C(C)(C)CC[NH3+])CC[C@H]1C 87937272 573019124 /nfs/dbraw/zinc/01/91/24/573019124.db2.gz OFSZLIDRAJNFLF-GRYCIOLGSA-N 1 0 197.366 3.434 10 0 AGAERO CCCC/C(C)=C\CC[NH2+]CC 211794195 573019127 /nfs/dbraw/zinc/01/91/27/573019127.db2.gz UUUYIHGEIOOOQF-LUAWRHEFSA-N 1 0 169.312 3.123 10 0 AGAERO CCCC[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 87936638 573019146 /nfs/dbraw/zinc/01/91/46/573019146.db2.gz ITCGOWOIRFKCNM-MNOVXSKESA-N 1 0 183.339 3.330 10 0 AGAERO C[C@H](c1cccc(C[NH3+])c1)C(C)(C)C 259595673 573020827 /nfs/dbraw/zinc/02/08/27/573020827.db2.gz CWWHEVAXTQCHLL-SNVBAGLBSA-N 1 0 191.318 3.295 10 0 AGAERO CC(C)CC[NH2+]C[C@@]1(C)C[C@@H]2C[C@@H]2C1 1118884367 757719769 /nfs/dbraw/zinc/71/97/69/757719769.db2.gz GOYDVIIQTYHOCS-CLLJXQQHSA-N 1 0 195.350 3.058 10 0 AGAERO C[C@H]1C[C@@H]([C@@H]2CC[C@@H]2C[NH3+])CC[C@H]1C 87942331 573023056 /nfs/dbraw/zinc/02/30/56/573023056.db2.gz AWCIHCMWYJQDHL-SJHCENCUSA-N 1 0 195.350 3.044 10 0 AGAERO C/C(=C\CC[NH2+]C(C)C)CC1CC1 211798913 573023080 /nfs/dbraw/zinc/02/30/80/573023080.db2.gz USXLXTPNYQYGBZ-VZUCSPMQSA-N 1 0 181.323 3.121 10 0 AGAERO C[NH2+][C@H](C[C@H]1CCC[C@@H](C)C1)C1CC1 308485008 573023192 /nfs/dbraw/zinc/02/31/92/573023192.db2.gz MZIUDKTUDFGNRW-NTZNESFSSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@H]([NH3+])c1cccc(Cl)c1C 104574978 573023235 /nfs/dbraw/zinc/02/32/35/573023235.db2.gz IDCAVKNEIRPDGK-JTQLQIEISA-N 1 0 183.682 3.058 10 0 AGAERO CCC1CCC([C@@H]2CC[C@H]2C[NH3+])CC1 87942632 573023247 /nfs/dbraw/zinc/02/32/47/573023247.db2.gz DVSOGOUFWYWVOI-TYUFSLCMSA-N 1 0 195.350 3.188 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@@H]1C[NH3+] 87942432 573023253 /nfs/dbraw/zinc/02/32/53/573023253.db2.gz VXUKEFVAHAXTHV-FVCCEPFGSA-N 1 0 195.350 3.188 10 0 AGAERO C[C@@H]1CCCc2[nH]c3cc[nH+]cc3c21 113688839 573023293 /nfs/dbraw/zinc/02/32/93/573023293.db2.gz RNCILUBONOVIFN-MRVPVSSYSA-N 1 0 186.258 3.003 10 0 AGAERO CCCC1([C@H]([NH2+]C)c2ccco2)CC1 308483089 573023350 /nfs/dbraw/zinc/02/33/50/573023350.db2.gz HVMKBGSXUARPLL-LLVKDONJSA-N 1 0 193.290 3.120 10 0 AGAERO [NH3+]C[C@@H]1CCCC[C@@H]1CC1CCCC1 87940836 573023372 /nfs/dbraw/zinc/02/33/72/573023372.db2.gz BBHQTBRBCJPJQJ-OLZOCXBDSA-N 1 0 195.350 3.332 10 0 AGAERO CCCC1([C@@H]([NH2+]C)c2ccco2)CC1 308483090 573023394 /nfs/dbraw/zinc/02/33/94/573023394.db2.gz HVMKBGSXUARPLL-NSHDSACASA-N 1 0 193.290 3.120 10 0 AGAERO CC(C)CCCC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 308482830 573023511 /nfs/dbraw/zinc/02/35/11/573023511.db2.gz NNUWOJVCFCEKDN-FRRDWIJNSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[C@@H]1CC(C)(C)CC[C@@H]1C[NH3+] 87946425 573026107 /nfs/dbraw/zinc/02/61/07/573026107.db2.gz YWFUHTIANHMHKV-VXGBXAGGSA-N 1 0 197.366 3.434 10 0 AGAERO C[C@@H](C[NH2+]C1CC1)[C@@H](C)C(C)(C)C 87953367 573026114 /nfs/dbraw/zinc/02/61/14/573026114.db2.gz MPEZJBZITJRLQR-VHSXEESVSA-N 1 0 183.339 3.057 10 0 AGAERO CC(C)C1([C@H]2CC[NH2+]C[C@H]2C)CCC1 686130586 573026122 /nfs/dbraw/zinc/02/61/22/573026122.db2.gz VPMRSDQRGNIYQX-NEPJUHHUSA-N 1 0 195.350 3.058 10 0 AGAERO CC(C)C[C@H]([NH2+]C(C)C)C(C)(C)C 308227942 573026284 /nfs/dbraw/zinc/02/62/84/573026284.db2.gz FOEHJAKHJJZPCT-NSHDSACASA-N 1 0 185.355 3.445 10 0 AGAERO C[NH2+]C[C@@H]1CC[C@H]1C1CCC(C)CC1 87954381 573026286 /nfs/dbraw/zinc/02/62/86/573026286.db2.gz SXZZDZQULTXZER-TYUFSLCMSA-N 1 0 195.350 3.058 10 0 AGAERO C[C@H]1CC(C)(C)CC[C@@H]1C[NH2+]C1CC1 87966837 573031562 /nfs/dbraw/zinc/03/15/62/573031562.db2.gz NKUODWVSAJDCMF-WDEREUQCSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+]C[C@H]1CCCC[C@H]1C1CCCC1 87960627 573032360 /nfs/dbraw/zinc/03/23/60/573032360.db2.gz WYUMSQVKPLICEY-OLZOCXBDSA-N 1 0 195.350 3.202 10 0 AGAERO CC[NH2+]C[C@H](CC)CC(CC)CC 128397876 573032446 /nfs/dbraw/zinc/03/24/46/573032446.db2.gz PTZLESAIVXSJEU-GFCCVEGCSA-N 1 0 185.355 3.448 10 0 AGAERO CC[NH2+][C@H](C)[C@H](C)CC(CC)CC 128460340 573042277 /nfs/dbraw/zinc/04/22/77/573042277.db2.gz FZVSMVAVRPHFSG-GHMZBOCLSA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])c1sc(C)cc1C 88047403 573049912 /nfs/dbraw/zinc/04/99/12/573049912.db2.gz XVVGYVBZXDLOJB-XVKPBYJWSA-N 1 0 197.347 3.411 10 0 AGAERO CC(C)c1c(C[NH3+])oc2ccccc12 77068068 573050230 /nfs/dbraw/zinc/05/02/30/573050230.db2.gz QHJQTYFHYUYGFL-UHFFFAOYSA-N 1 0 189.258 3.015 10 0 AGAERO [NH3+][C@H]1CCCC2(CCCCC2)CC1 114000032 573052857 /nfs/dbraw/zinc/05/28/57/573052857.db2.gz ANKSNCOWZMOMMH-NSHDSACASA-N 1 0 181.323 3.228 10 0 AGAERO Cc1ccccc1[C@H]1CCC(C)(C)[NH2+]1 257938097 573054949 /nfs/dbraw/zinc/05/49/49/573054949.db2.gz CPSAYFJGCVRMSY-GFCCVEGCSA-N 1 0 189.302 3.198 10 0 AGAERO [NH3+][C@@H]1CCCC2(CCCCC2)CC1 114000030 573054982 /nfs/dbraw/zinc/05/49/82/573054982.db2.gz ANKSNCOWZMOMMH-LLVKDONJSA-N 1 0 181.323 3.228 10 0 AGAERO CCCC[C@H](CCC)[NH2+][C@@H]1C[C@H]1C 308244248 573061334 /nfs/dbraw/zinc/06/13/34/573061334.db2.gz UKHINRGGTUXTGL-GRYCIOLGSA-N 1 0 183.339 3.343 10 0 AGAERO C[C@H]1C[C@@H](C2CCCCCC2)CC[NH2+]1 235696739 573061371 /nfs/dbraw/zinc/06/13/71/573061371.db2.gz LSZODMVYROWYCC-AAEUAGOBSA-N 1 0 195.350 3.345 10 0 AGAERO C[C@@H]([NH3+])c1ccc(C(C)(C)C)s1 88077720 573065383 /nfs/dbraw/zinc/06/53/83/573065383.db2.gz BCWXCCOOVPHYOZ-SSDOTTSWSA-N 1 0 183.320 3.065 10 0 AGAERO CC(C)CC[NH2+][C@H]1CCC[C@@H]1C(C)C 308489046 573070610 /nfs/dbraw/zinc/07/06/10/573070610.db2.gz AWIJGADSJHUTIQ-OLZOCXBDSA-N 1 0 197.366 3.447 10 0 AGAERO [NH2+]=C(Nc1ccsc1)C1CCCC1 85535973 573070831 /nfs/dbraw/zinc/07/08/31/573070831.db2.gz FAVQPJWZFWNJGL-UHFFFAOYSA-N 1 0 194.303 3.327 10 0 AGAERO CCC[NH2+]C/C=C\c1ccccc1C 211118090 573071952 /nfs/dbraw/zinc/07/19/52/573071952.db2.gz NRCNUOPBDSEGHE-TWGQIWQCSA-N 1 0 189.302 3.008 10 0 AGAERO CC/C(=C\C1(CC)CCC1)C[NH2+]C 686134102 573072060 /nfs/dbraw/zinc/07/20/60/573072060.db2.gz TXHKELMTHCPQAM-PKNBQFBNSA-N 1 0 181.323 3.123 10 0 AGAERO CC/C(=C/C1(CC)CCC1)C[NH2+]C 686134100 573073894 /nfs/dbraw/zinc/07/38/94/573073894.db2.gz TXHKELMTHCPQAM-LUAWRHEFSA-N 1 0 181.323 3.123 10 0 AGAERO C[NH2+][C@@H]1CC[C@H]([C@@H](C)CC(C)C)[C@H]1C 308492064 573076782 /nfs/dbraw/zinc/07/67/82/573076782.db2.gz RGAVLMKVXBKQIR-UMSGYPCISA-N 1 0 197.366 3.303 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])CC(C)(C)CC 224890106 573076841 /nfs/dbraw/zinc/07/68/41/573076841.db2.gz RFWDVIIZSJTWEV-VHSXEESVSA-N 1 0 171.328 3.186 10 0 AGAERO [NH3+][C@@H](CCC1CCCCCC1)C1CC1 128614791 573080009 /nfs/dbraw/zinc/08/00/09/573080009.db2.gz XZTINFKFDNBCTQ-ZDUSSCGKSA-N 1 0 195.350 3.474 10 0 AGAERO C[C@@H]1CC[C@@H](CC2CCCCC2)[NH2+]C1 88136870 573080023 /nfs/dbraw/zinc/08/00/23/573080023.db2.gz FXKFOFNITOGPMH-YPMHNXCESA-N 1 0 195.350 3.345 10 0 AGAERO C[C@H]1C[C@@]1(C)C[NH2+][C@H](C)C1CCCC1 714628188 573089767 /nfs/dbraw/zinc/08/97/67/573089767.db2.gz AECWGFLARAJYNF-LOWVWBTDSA-N 1 0 195.350 3.201 10 0 AGAERO C=C/C(=C/C)[C@H]([NH2+]C)c1ccccc1 308258129 573093883 /nfs/dbraw/zinc/09/38/83/573093883.db2.gz SOFBZIUNNJQVRA-PTJCHJMSSA-N 1 0 187.286 3.079 10 0 AGAERO [NH3+][C@@H](CCC1CCCCC1)CC1CC1 128634633 573093935 /nfs/dbraw/zinc/09/39/35/573093935.db2.gz LXINVMZYFBXJOX-ZDUSSCGKSA-N 1 0 195.350 3.474 10 0 AGAERO CCC(CC)C[C@@H](C)C[C@@H](C)[NH2+]C 128658943 573100564 /nfs/dbraw/zinc/10/05/64/573100564.db2.gz HJXCNOFAKJRHEZ-WDEREUQCSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@H](C)[C@H](C)c1cc(C)ccc1C 85660033 573105666 /nfs/dbraw/zinc/10/56/66/573105666.db2.gz CNDJGAAJZMMMOK-NWDGAFQWSA-N 1 0 191.318 3.015 10 0 AGAERO C[NH2+][C@@H](C)[C@H](C)c1ccc(C)cc1C 85660107 573105744 /nfs/dbraw/zinc/10/57/44/573105744.db2.gz YGYOQXCNJLRORL-RYUDHWBXSA-N 1 0 191.318 3.015 10 0 AGAERO CC(C)c1ccc([C@@H](C)[C@@H](C)[NH3+])cc1 85659449 573105787 /nfs/dbraw/zinc/10/57/87/573105787.db2.gz RJJHDDGCZZWPDY-WDEREUQCSA-N 1 0 191.318 3.261 10 0 AGAERO CC[C@H](C)[C@@H]([NH3+])c1cccc(Cl)c1 82570138 573105807 /nfs/dbraw/zinc/10/58/07/573105807.db2.gz PBQZZPXEYMJGHS-GZMMTYOYSA-N 1 0 197.709 3.386 10 0 AGAERO CCC[NH2+][C@H]1C[C@@H](C(C)(C)C)[C@@H]1C 88182134 573105866 /nfs/dbraw/zinc/10/58/66/573105866.db2.gz LKRLDLALLZHTOV-AXFHLTTASA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+][C@@H](C)[C@H](C)c1cccc(Cl)c1 85659928 573105872 /nfs/dbraw/zinc/10/58/72/573105872.db2.gz KRPTUPXFCKPAEF-IUCAKERBSA-N 1 0 197.709 3.051 10 0 AGAERO CC[C@H](c1cccc(Cl)c1)[C@H](C)[NH3+] 85659136 573105954 /nfs/dbraw/zinc/10/59/54/573105954.db2.gz BMHSHZCGCDEQFJ-KWQFWETISA-N 1 0 197.709 3.181 10 0 AGAERO CC[NH2+][C@H](C)C1CCCCCCC1 85661416 573105961 /nfs/dbraw/zinc/10/59/61/573105961.db2.gz ZFQUQSXOZQBNRB-LLVKDONJSA-N 1 0 183.339 3.345 10 0 AGAERO C[NH2+][C@H](C)[C@@H](C)c1cc(C)ccc1C 85660035 573105971 /nfs/dbraw/zinc/10/59/71/573105971.db2.gz CNDJGAAJZMMMOK-VXGBXAGGSA-N 1 0 191.318 3.015 10 0 AGAERO CC[C@@H]1CCC[C@@H]([C@@H](C)[NH2+]C)CC1 85660289 573105978 /nfs/dbraw/zinc/10/59/78/573105978.db2.gz UNOFXDFVQSZGGU-IJLUTSLNSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+]C[C@@H]1CCC[C@@H]1[C@H](C)CC(C)C 308496219 573109515 /nfs/dbraw/zinc/10/95/15/573109515.db2.gz SVXGKFJBAZFKGA-FRRDWIJNSA-N 1 0 197.366 3.304 10 0 AGAERO CCC[NH2+][C@@H]1C[C@@H]2CCCCCC[C@@H]21 88185548 573109536 /nfs/dbraw/zinc/10/95/36/573109536.db2.gz GCWGBJQFMITKAR-RWMBFGLXSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H]1[NH+]=C(C)Nc2ccc(C)cc21 238286509 573112414 /nfs/dbraw/zinc/11/24/14/573112414.db2.gz VLEKCTCFUDQFNM-NSHDSACASA-N 1 0 188.274 3.099 10 0 AGAERO CC[NH2+][C@H]1[C@H]2CCCCC[C@H]2[C@H]1CC 88185769 573112449 /nfs/dbraw/zinc/11/24/49/573112449.db2.gz HMILOWRCGJMWIH-MROQNXINSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@@H](C)[C@H](CC1CC1)[NH2+]CC 128714837 573112512 /nfs/dbraw/zinc/11/25/12/573112512.db2.gz NLKJRYFQDSAUHZ-PWSUYJOCSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@H]1CCC[C@@H](C)C1[NH2+]CC(C)(C)C 40492346 573112619 /nfs/dbraw/zinc/11/26/19/573112619.db2.gz YOZWRQCJVHLPDU-FOSCPWQOSA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@@H]1[C@@H]2CCCCC[C@@H]2C1(C)C 88186275 573112671 /nfs/dbraw/zinc/11/26/71/573112671.db2.gz CZFCYUXOMQABHZ-GRYCIOLGSA-N 1 0 195.350 3.201 10 0 AGAERO CCCC(CCC)[C@H]([NH3+])CC1CC1 128711171 573112676 /nfs/dbraw/zinc/11/26/76/573112676.db2.gz MVBCNSARQXODPB-GFCCVEGCSA-N 1 0 183.339 3.330 10 0 AGAERO CC[NH2+][C@@H]1[C@H]2CCCCC[C@@H]2C1(C)C 88186280 573112678 /nfs/dbraw/zinc/11/26/78/573112678.db2.gz CZFCYUXOMQABHZ-SDDRHHMPSA-N 1 0 195.350 3.201 10 0 AGAERO CCC1CCC([C@]2(C)CCC[NH2+]2)CC1 85698018 573113647 /nfs/dbraw/zinc/11/36/47/573113647.db2.gz PIIAMLMAUFUREY-BPCQOVAHSA-N 1 0 195.350 3.345 10 0 AGAERO CC[NH2+][C@H](CC1CC1)[C@@H](C)C(C)C 128738126 573117799 /nfs/dbraw/zinc/11/77/99/573117799.db2.gz VQWLLNBUGQKQCP-CMPLNLGQSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@@H]1CCCC[C@H]1[C@]1(C)CCC[NH2+]1 85698394 573117816 /nfs/dbraw/zinc/11/78/16/573117816.db2.gz YPLUJBOJHCYZMN-UPJWGTAASA-N 1 0 195.350 3.345 10 0 AGAERO [NH3+][C@@H](CC1CCCCCC1)CC1CC1 128722053 573117820 /nfs/dbraw/zinc/11/78/20/573117820.db2.gz QYBCTZLGOGGEMA-ZDUSSCGKSA-N 1 0 195.350 3.474 10 0 AGAERO CCC[C@@]1(C2CCCCC2)CCC[NH2+]1 85700025 573121633 /nfs/dbraw/zinc/12/16/33/573121633.db2.gz RMRVLRCYSLGHFC-ZDUSSCGKSA-N 1 0 195.350 3.489 10 0 AGAERO CC(C)C[C@@]1(C2CCCC2)CCC[NH2+]1 85702997 573121799 /nfs/dbraw/zinc/12/17/99/573121799.db2.gz KYIZFBQDFQPTSF-CYBMUJFWSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@@]1(c2ccsc2)CCC[NH2+]1 85699951 573121918 /nfs/dbraw/zinc/12/19/18/573121918.db2.gz TWGZJBLZAQOWBH-NSHDSACASA-N 1 0 195.331 3.127 10 0 AGAERO CC(C)[C@@H]1CC[C@@H]([NH2+]CC2(C)CC2)C1 308507966 573146831 /nfs/dbraw/zinc/14/68/31/573146831.db2.gz JNBBCJNFDDOFBE-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H](Cc1cccs1)[NH2+]C(C)(C)C 308287365 573148198 /nfs/dbraw/zinc/14/81/98/573148198.db2.gz ZPODUGSRCLBSPB-VIFPVBQESA-N 1 0 197.347 3.067 10 0 AGAERO CC[C@H]1CCCC[C@@H]1C1([NH3+])CCCC1 82658119 573148234 /nfs/dbraw/zinc/14/82/34/573148234.db2.gz ZUGSGYKVQOQRJN-RYUDHWBXSA-N 1 0 195.350 3.474 10 0 AGAERO CC[C@@H]([NH3+])C[C@@H]1CC=C(C)C1(C)C 238290188 573148275 /nfs/dbraw/zinc/14/82/75/573148275.db2.gz KQIFGDFIMUMWLL-WDEREUQCSA-N 1 0 181.323 3.106 10 0 AGAERO CC[C@H](C)C[NH2+]C1[C@@H](C)CC[C@@H]1C 308287990 573148325 /nfs/dbraw/zinc/14/83/25/573148325.db2.gz FGKJOMONKGPWLG-DCAQKATOSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[C@](C)([NH3+])CC 82658134 573148360 /nfs/dbraw/zinc/14/83/60/573148360.db2.gz SIZLRXGMSYQXRW-GRYCIOLGSA-N 1 0 183.339 3.330 10 0 AGAERO CC(C)C([NH2+][C@@H](C)CC1CC1)C(C)C 308505840 573153844 /nfs/dbraw/zinc/15/38/44/573153844.db2.gz YVBJRRYPRHXFHF-NSHDSACASA-N 1 0 197.366 3.445 10 0 AGAERO CCCC[C@H](C)[NH2+]C[C@@H](C)CC 50887250 573157194 /nfs/dbraw/zinc/15/71/94/573157194.db2.gz OQMBGVCGYASVGN-QWRGUYRKSA-N 1 0 171.328 3.201 10 0 AGAERO C[C@H](CCC(F)(F)F)[NH2+]C(C)(C)C 308285525 573162806 /nfs/dbraw/zinc/16/28/06/573162806.db2.gz YVDNPWRRFVZTSV-SSDOTTSWSA-N 1 0 197.244 3.106 10 0 AGAERO CC[C@@H](c1ccc(F)cc1)C(C)(C)[NH3+] 238296634 573162824 /nfs/dbraw/zinc/16/28/24/573162824.db2.gz IRGUMYCLDNJRNZ-NSHDSACASA-N 1 0 195.281 3.057 10 0 AGAERO CCC[C@H]1CCCC[N@@H+]1[C@H](C)CC 308285546 573162894 /nfs/dbraw/zinc/16/28/94/573162894.db2.gz ASRFIYVBJGKZPW-NEPJUHHUSA-N 1 0 183.339 3.440 10 0 AGAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]C(C)(C)C(C)C 308511623 573166568 /nfs/dbraw/zinc/16/65/68/573166568.db2.gz LEMDFCRJJUKFHY-RYUDHWBXSA-N 1 0 197.366 3.445 10 0 AGAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(C)C 308512147 573166381 /nfs/dbraw/zinc/16/63/81/573166381.db2.gz CPSYMMKPTUSXFT-MROQNXINSA-N 1 0 195.350 3.199 10 0 AGAERO 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/nfs/dbraw/zinc/22/70/46/573227046.db2.gz WVSKVAUBTNFHDP-NTZNESFSSA-N 1 0 195.350 3.330 10 0 AGAERO CC[C@@H](C)[N@H+](CC=C(C)C)C1CC1 308312019 573229454 /nfs/dbraw/zinc/22/94/54/573229454.db2.gz RYPZCMXDBXZRPH-LLVKDONJSA-N 1 0 181.323 3.216 10 0 AGAERO C[NH2+][C@H](C(C)C)[C@@H]1CC[C@H](C)[C@@H](C)C1 82843713 573229511 /nfs/dbraw/zinc/22/95/11/573229511.db2.gz CTWCSCOQMPRCHP-WUHRBBMRSA-N 1 0 197.366 3.303 10 0 AGAERO CCC[C@H](C)[C@@]1(C)CC[C@@H]([NH2+]C)C1 233343139 573229652 /nfs/dbraw/zinc/22/96/52/573229652.db2.gz SGBFUVSLTQXDGI-TUAOUCFPSA-N 1 0 183.339 3.201 10 0 AGAERO Cc1ccc([C@@H](C)C(C)(C)[NH3+])c(C)c1 258599285 573229715 /nfs/dbraw/zinc/22/97/15/573229715.db2.gz NDXYHSQQQFBKLR-LLVKDONJSA-N 1 0 191.318 3.144 10 0 AGAERO CCC(CC)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308520166 573229757 /nfs/dbraw/zinc/22/97/57/573229757.db2.gz OLHRNTSVILGPPO-ITGUQSILSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@@H]1C[NH2+]CC[C@@H]1[C@@H](C)C(C)C 308525131 573234235 /nfs/dbraw/zinc/23/42/35/573234235.db2.gz WXRQRRDYFYKZSS-YNEHKIRRSA-N 1 0 197.366 3.304 10 0 AGAERO CCC[C@H](C)C[C@@H]([NH3+])[C@H]1C[C@@H]2C[C@@H]2C1 253024117 573234276 /nfs/dbraw/zinc/23/42/76/573234276.db2.gz COTQZOXUKSAXID-IEECTRCBSA-N 1 0 195.350 3.186 10 0 AGAERO CC1CCC([C@]2([NH3+])CC[C@@H](C)C2)CC1 82849175 573234277 /nfs/dbraw/zinc/23/42/77/573234277.db2.gz DKKCHZXHZPEIJC-KPFVRQRISA-N 1 0 195.350 3.330 10 0 AGAERO CC1CCC([C@@](C)([NH3+])C(C)C)CC1 82849126 573234376 /nfs/dbraw/zinc/23/43/76/573234376.db2.gz ASACUFVJJSFBJL-MCIGGMRASA-N 1 0 183.339 3.186 10 0 AGAERO CCC1CCC([C@](C)([NH3+])CC)CC1 82849121 573234397 /nfs/dbraw/zinc/23/43/97/573234397.db2.gz VFBMXKYCVBFSCL-HTAVTVPLSA-N 1 0 183.339 3.330 10 0 AGAERO C[NH2+][C@H](C)C(C)(C)C1CCCCC1 238322491 573234468 /nfs/dbraw/zinc/23/44/68/573234468.db2.gz XMCPCIICLKHVPY-SNVBAGLBSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@@H]1C[NH2+]CC[C@@H]1[C@H](C)C(C)C 308525123 573234529 /nfs/dbraw/zinc/23/45/29/573234529.db2.gz WXRQRRDYFYKZSS-JHJVBQTASA-N 1 0 197.366 3.304 10 0 AGAERO CC1CCC([C@@]2([NH3+])CC[C@H](C)C2)CC1 82849174 573235068 /nfs/dbraw/zinc/23/50/68/573235068.db2.gz DKKCHZXHZPEIJC-PYNQCMFNSA-N 1 0 195.350 3.330 10 0 AGAERO CC1CCC([C@H]2CCCC[C@@H]2[NH3+])CC1 82856354 573235073 /nfs/dbraw/zinc/23/50/73/573235073.db2.gz FEHZLPIVOLHDTL-TUUUFIMRSA-N 1 0 195.350 3.330 10 0 AGAERO CCC1CCC([C@H]2CCC[C@H]2[NH3+])CC1 82856360 573235085 /nfs/dbraw/zinc/23/50/85/573235085.db2.gz NKEKAQDZUFTATR-FIYWTHMPSA-N 1 0 195.350 3.330 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1ccc(C)c(F)c1 86025433 573235282 /nfs/dbraw/zinc/23/52/82/573235282.db2.gz LDYTUFSIPSMTCB-LBPRGKRZSA-N 1 0 193.265 3.100 10 0 AGAERO C[NH2+][C@@H](C=C(C)C)c1cccc(F)c1 86024641 573235462 /nfs/dbraw/zinc/23/54/62/573235462.db2.gz MOLLVOXCOJXVQB-LBPRGKRZSA-N 1 0 193.265 3.052 10 0 AGAERO CCC1CCC(C2([NH3+])CCCC2)CC1 82849103 573235482 /nfs/dbraw/zinc/23/54/82/573235482.db2.gz ADPLVYGOEQXESB-UHFFFAOYSA-N 1 0 195.350 3.474 10 0 AGAERO CCc1ccc([C@@H]([NH3+])C=C(C)C)cc1 86025193 573235493 /nfs/dbraw/zinc/23/54/93/573235493.db2.gz LCYINTDXCVUBSN-ZDUSSCGKSA-N 1 0 189.302 3.215 10 0 AGAERO CC[C@@H](F)C[N@H+](C)[C@H](C)C(C)(C)C 308323670 573235495 /nfs/dbraw/zinc/23/54/95/573235495.db2.gz DASFINLDAUAOSC-NXEZZACHSA-N 1 0 189.318 3.101 10 0 AGAERO C[NH2+][C@H](C=C(C)C)[C@@H]1CCC[C@@H](C)C1 86028925 573235626 /nfs/dbraw/zinc/23/56/26/573235626.db2.gz QDWDRPIZEPNGOS-JHJVBQTASA-N 1 0 195.350 3.367 10 0 AGAERO C[NH2+][C@@H](C)c1cc(C)c(Cl)c(C)c1 238323580 573235681 /nfs/dbraw/zinc/23/56/81/573235681.db2.gz ZXXHPITYKGKSIK-VIFPVBQESA-N 1 0 197.709 3.237 10 0 AGAERO CC[C@@H](F)C[N@H+](C)[C@@H](C)C(C)(C)C 308323673 573235830 /nfs/dbraw/zinc/23/58/30/573235830.db2.gz DASFINLDAUAOSC-VHSXEESVSA-N 1 0 189.318 3.101 10 0 AGAERO CCC[NH2+][C@@H](C=C(C)C)CC(C)C 86026475 573235846 /nfs/dbraw/zinc/23/58/46/573235846.db2.gz CNEZSKICLKMCJZ-LBPRGKRZSA-N 1 0 183.339 3.367 10 0 AGAERO C[NH2+][C@H](C=C(C)C)[C@@H]1CCC[C@H](C)C1 86028930 573235876 /nfs/dbraw/zinc/23/58/76/573235876.db2.gz QDWDRPIZEPNGOS-YNEHKIRRSA-N 1 0 195.350 3.367 10 0 AGAERO C[NH2+][C@@H](C=C(C)C)C1CCCCC1 86026935 573235896 /nfs/dbraw/zinc/23/58/96/573235896.db2.gz NZGJVDQJAVKVNW-LBPRGKRZSA-N 1 0 181.323 3.121 10 0 AGAERO CC(C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C1CC1 308527198 573235932 /nfs/dbraw/zinc/23/59/32/573235932.db2.gz QYSOKJMGHJMMEU-CYZMBNFOSA-N 1 0 195.350 3.057 10 0 AGAERO CC1CCC(C[NH2+]C(C)(C)C)CC1 82849583 573235950 /nfs/dbraw/zinc/23/59/50/573235950.db2.gz UEXNFKBWWIVKBX-UHFFFAOYSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@H](C=C(C)C)C1CCC(C)CC1 86029077 573235966 /nfs/dbraw/zinc/23/59/66/573235966.db2.gz OPGUGJSDVADHTN-WXRRBKDZSA-N 1 0 195.350 3.367 10 0 AGAERO Cc1ccc(Br)cc1[N+]#N 115972234 573236051 /nfs/dbraw/zinc/23/60/51/573236051.db2.gz ABKKYMXLNBEZIB-UHFFFAOYSA-N 1 0 198.043 3.242 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1ccc(F)c(C)c1 86027374 573236083 /nfs/dbraw/zinc/23/60/83/573236083.db2.gz RNDLOIGYMHIGCJ-GFCCVEGCSA-N 1 0 193.265 3.100 10 0 AGAERO CC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C(C)C 125963816 573238828 /nfs/dbraw/zinc/23/88/28/573238828.db2.gz RRHWYUXBNFZVGU-JHJVBQTASA-N 1 0 197.366 3.447 10 0 AGAERO C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C 82858892 573238914 /nfs/dbraw/zinc/23/89/14/573238914.db2.gz QVKIEKBTHHXOKX-GRYCIOLGSA-N 1 0 197.366 3.447 10 0 AGAERO C[C@@H]1CCC[C@@]([NH3+])(C2CCCC2)[C@@H]1C 82857768 573238919 /nfs/dbraw/zinc/23/89/19/573238919.db2.gz MZTHXWZRZVFXAX-WZRBSPASSA-N 1 0 195.350 3.330 10 0 AGAERO CC1CCC([C@H]2C[C@H](C)CC[NH2+]2)CC1 82856522 573238946 /nfs/dbraw/zinc/23/89/46/573238946.db2.gz WFFWWNOWJVGSEQ-POOIEITISA-N 1 0 195.350 3.201 10 0 AGAERO CCCC[C@]1([NH3+])CCC[C@@H](C)[C@@H]1C 82857736 573238953 /nfs/dbraw/zinc/23/89/53/573238953.db2.gz IZVIRALEXZAWFH-WOPDTQHZSA-N 1 0 183.339 3.330 10 0 AGAERO CC1CCC([C@@H]2C[C@H](C)CC[NH2+]2)CC1 82856521 573238992 /nfs/dbraw/zinc/23/89/92/573238992.db2.gz WFFWWNOWJVGSEQ-KPFVRQRISA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C(C(C)C)[C@@H]([NH3+])C1CCCC1 308528825 573238994 /nfs/dbraw/zinc/23/89/94/573238994.db2.gz JNGDLRODBPZNIT-ZDUSSCGKSA-N 1 0 197.366 3.432 10 0 AGAERO [NH3+]CC1([C@@H]2C=CCCCCC2)CCC1 308526570 573239011 /nfs/dbraw/zinc/23/90/11/573239011.db2.gz IXRGTFGKQDNCKH-GFCCVEGCSA-N 1 0 193.334 3.252 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1cc(F)ccc1C 86029332 573239020 /nfs/dbraw/zinc/23/90/20/573239020.db2.gz XQOGWTLRJQYZLZ-LBPRGKRZSA-N 1 0 193.265 3.100 10 0 AGAERO C[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC1(C)C 82859176 573239058 /nfs/dbraw/zinc/23/90/58/573239058.db2.gz KUVWWWAGXUZWSN-WRWGMCAJSA-N 1 0 195.350 3.199 10 0 AGAERO CC[C@H]([NH2+]C)[C@@H]1CCCC[C@@H]1C(C)C 125965872 573239087 /nfs/dbraw/zinc/23/90/87/573239087.db2.gz DGYFQNQCGWLVQG-UPJWGTAASA-N 1 0 197.366 3.447 10 0 AGAERO CCCC[C@]1([NH3+])C[C@H](C)CC[C@@H]1C 82858260 573239103 /nfs/dbraw/zinc/23/91/03/573239103.db2.gz FNPIULWNECMCQO-WOPDTQHZSA-N 1 0 183.339 3.330 10 0 AGAERO CCCCCC1=C[C@H]([NH3+])C[C@H](C)C1 308323474 573239138 /nfs/dbraw/zinc/23/91/38/573239138.db2.gz CXMLECWAJMTPAP-ZYHUDNBSSA-N 1 0 181.323 3.250 10 0 AGAERO C[C@@H]1CC[C@]([NH3+])(C2CCCC2)[C@H](C)C1 82858034 573239175 /nfs/dbraw/zinc/23/91/75/573239175.db2.gz RIXNDOIDIDGJOY-NQBHXWOUSA-N 1 0 195.350 3.330 10 0 AGAERO CC1CCC([C@@H]2CCC[C@@H]([NH3+])C2)CC1 82856605 573238653 /nfs/dbraw/zinc/23/86/53/573238653.db2.gz OGAVDIAGCAHCKG-FIYWTHMPSA-N 1 0 195.350 3.330 10 0 AGAERO C[NH2+][C@H](C)CC/C=C\c1ccccc1 219548380 573240472 /nfs/dbraw/zinc/24/04/72/573240472.db2.gz XLEMOLZMBZXUIX-SEVUFMINSA-N 1 0 189.302 3.088 10 0 AGAERO CC(C)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 82857080 573240570 /nfs/dbraw/zinc/24/05/70/573240570.db2.gz PWKTWFTUIRFNMY-IJLUTSLNSA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+][C@H]1CCC[C@H]1C1CCC(C)CC1 82856399 573240628 /nfs/dbraw/zinc/24/06/28/573240628.db2.gz QJHUQVIRLVIGAD-TYUFSLCMSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[C@]1([NH3+])C[C@H](C)CC[C@H]1C 82858150 573240687 /nfs/dbraw/zinc/24/06/87/573240687.db2.gz SBQSIEIRLLREFI-UTUOFQBUSA-N 1 0 183.339 3.186 10 0 AGAERO CC1CCC([C@H]2C[C@@H](C)CC[NH2+]2)CC1 82856524 573240691 /nfs/dbraw/zinc/24/06/91/573240691.db2.gz WFFWWNOWJVGSEQ-PYNQCMFNSA-N 1 0 195.350 3.201 10 0 AGAERO CC1CCC([C@H]2CCC[C@@H]([NH3+])C2)CC1 82856606 573240713 /nfs/dbraw/zinc/24/07/13/573240713.db2.gz OGAVDIAGCAHCKG-IFWUJCSASA-N 1 0 195.350 3.330 10 0 AGAERO C[NH2+][C@@H]1CC[C@@H](C2CCC(C)CC2)C1 82856669 573240746 /nfs/dbraw/zinc/24/07/46/573240746.db2.gz VWYILCSYYISXCS-FIYWTHMPSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CCCC2)C1 82857084 573240767 /nfs/dbraw/zinc/24/07/67/573240767.db2.gz BANUNOBKIFDSGG-NQBHXWOUSA-N 1 0 195.350 3.343 10 0 AGAERO C[NH2+][C@@H]1CCC[C@@H]1C1CCC(C)CC1 82856402 573240772 /nfs/dbraw/zinc/24/07/72/573240772.db2.gz QJHUQVIRLVIGAD-FIYWTHMPSA-N 1 0 195.350 3.201 10 0 AGAERO CCC1CCC([C@@H]2CC[C@@H]([NH3+])C2)CC1 82856593 573240837 /nfs/dbraw/zinc/24/08/37/573240837.db2.gz LTSWITDDUFUDAO-FIYWTHMPSA-N 1 0 195.350 3.330 10 0 AGAERO CC(C)C[C@]1([NH3+])CC[C@H](C)C[C@H]1C 82857861 573240864 /nfs/dbraw/zinc/24/08/64/573240864.db2.gz ZOVPABCVLZBYNN-QJPTWQEYSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)C[C@]1([NH3+])C[C@@H](C)CC[C@@H]1C 82858149 573240977 /nfs/dbraw/zinc/24/09/77/573240977.db2.gz SBQSIEIRLLREFI-SRVKXCTJSA-N 1 0 183.339 3.186 10 0 AGAERO CCC1CCC([C@H]2CCCC[NH2+]2)CC1 82856478 573240981 /nfs/dbraw/zinc/24/09/81/573240981.db2.gz NVRXWBACQCIQME-WXRRBKDZSA-N 1 0 195.350 3.345 10 0 AGAERO C[NH2+][C@@H]1CC[C@H](C2CCC(C)CC2)C1 82856670 573240996 /nfs/dbraw/zinc/24/09/96/573240996.db2.gz VWYILCSYYISXCS-IFWUJCSASA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@]1(C=C(C)C)CCCCC[NH2+]1 86059253 573241019 /nfs/dbraw/zinc/24/10/19/573241019.db2.gz ZRFKTXKEMLGOQU-LBPRGKRZSA-N 1 0 181.323 3.265 10 0 AGAERO C[NH2+][C@H]1CC[C@H](C2CCC(C)CC2)C1 82856668 573241057 /nfs/dbraw/zinc/24/10/57/573241057.db2.gz VWYILCSYYISXCS-TYUFSLCMSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)=C[C@@H]([NH3+])C1CCC(C)(C)CC1 86057678 573241429 /nfs/dbraw/zinc/24/14/29/573241429.db2.gz PACKDYYKTJSDIX-GFCCVEGCSA-N 1 0 195.350 3.496 10 0 AGAERO CC(C)=C[C@H]([NH3+])C1CCC(C)(C)CC1 86057677 573241484 /nfs/dbraw/zinc/24/14/84/573241484.db2.gz PACKDYYKTJSDIX-LBPRGKRZSA-N 1 0 195.350 3.496 10 0 AGAERO C/C=C\C[N@@H+](C1CC1)[C@@H](C)C(C)C 308320328 573241548 /nfs/dbraw/zinc/24/15/48/573241548.db2.gz YBQNKMLXOIYXMK-GZTOBOFZSA-N 1 0 181.323 3.071 10 0 AGAERO CC1CCC([C@@H]2C[C@@H](C)CC[NH2+]2)CC1 82856523 573241603 /nfs/dbraw/zinc/24/16/03/573241603.db2.gz WFFWWNOWJVGSEQ-MVKMKZAISA-N 1 0 195.350 3.201 10 0 AGAERO CCC1CCC([C@H]([NH3+])C=C(C)C)CC1 86057641 573242015 /nfs/dbraw/zinc/24/20/15/573242015.db2.gz CDFIHFQQGMZNNZ-WXRRBKDZSA-N 1 0 195.350 3.496 10 0 AGAERO CCC[NH2+][C@@H](C=C(C)C)C1CCC1 86056628 573242023 /nfs/dbraw/zinc/24/20/23/573242023.db2.gz CONZKWNITITCJS-LBPRGKRZSA-N 1 0 181.323 3.121 10 0 AGAERO CC(C)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C 82857079 573242057 /nfs/dbraw/zinc/24/20/57/573242057.db2.gz PWKTWFTUIRFNMY-SDDRHHMPSA-N 1 0 183.339 3.057 10 0 AGAERO CC1CCC([C@@H](C)C[C@H](C)[NH3+])CC1 82856765 573242111 /nfs/dbraw/zinc/24/21/11/573242111.db2.gz YCMLCAAMTHVODE-YECOWLKZSA-N 1 0 183.339 3.186 10 0 AGAERO CC1CCC([C@H]2CCC[C@H]([NH3+])C2)CC1 82856604 573242150 /nfs/dbraw/zinc/24/21/50/573242150.db2.gz OGAVDIAGCAHCKG-TYUFSLCMSA-N 1 0 195.350 3.330 10 0 AGAERO C[NH2+][C@@]1(C)CCCCC[C@H](C)CC1 238315148 573242237 /nfs/dbraw/zinc/24/22/37/573242237.db2.gz CLJNNKMEMWDSSG-RYUDHWBXSA-N 1 0 183.339 3.345 10 0 AGAERO CC[C@@H]1CCC[C@@H]([C@H]([NH3+])C=C(C)C)C1 86057853 573242260 /nfs/dbraw/zinc/24/22/60/573242260.db2.gz FTKSUJVXZUDZDI-JHJVBQTASA-N 1 0 195.350 3.496 10 0 AGAERO CC[C@H](C)C[N@H+](CC)CC[C@@H](C)F 308320743 573242542 /nfs/dbraw/zinc/24/25/42/573242542.db2.gz YNKDUGHESLNRAK-WDEREUQCSA-N 1 0 189.318 3.103 10 0 AGAERO C[C@@H](CCC1CC[NH2+]CC1)C(C)(C)C 308521589 573242557 /nfs/dbraw/zinc/24/25/57/573242557.db2.gz HXJKDTIMKHSHGR-NSHDSACASA-N 1 0 197.366 3.448 10 0 AGAERO Cc1ccc([C@@H](C)F)cc1C(C)(C)[NH3+] 257977034 573242672 /nfs/dbraw/zinc/24/26/72/573242672.db2.gz DIKRCJLBKIEAFV-SECBINFHSA-N 1 0 195.281 3.219 10 0 AGAERO CC[C@]1(C=C(C)C)CCCCC[NH2+]1 86059251 573242730 /nfs/dbraw/zinc/24/27/30/573242730.db2.gz ZRFKTXKEMLGOQU-GFCCVEGCSA-N 1 0 181.323 3.265 10 0 AGAERO CC[C@@H](C)[N@H+](C[Si](C)(C)C)C1CC1 308320425 573242836 /nfs/dbraw/zinc/24/28/36/573242836.db2.gz YEHSLERYTBBHFZ-SNVBAGLBSA-N 1 0 199.414 3.127 10 0 AGAERO CC[C@@H]1CC[C@@H]([C@H]([NH3+])C=C(C)C)C1 86058026 573242871 /nfs/dbraw/zinc/24/28/71/573242871.db2.gz GDBGTIIKVMBTQZ-IJLUTSLNSA-N 1 0 181.323 3.106 10 0 AGAERO CC[C@H](C)[C@H](C)[NH2+]CC=C1CCC1 308320436 573242875 /nfs/dbraw/zinc/24/28/75/573242875.db2.gz YFFKQYZOITYRJH-QWRGUYRKSA-N 1 0 181.323 3.121 10 0 AGAERO C/C=C/C[N@@H+](C1CC1)[C@@H](C)C(C)C 308320333 573242891 /nfs/dbraw/zinc/24/28/91/573242891.db2.gz YBQNKMLXOIYXMK-QRGHLMKCSA-N 1 0 181.323 3.071 10 0 AGAERO C[NH2+][C@@H](C1CC1)[C@H]1CC[C@@H](C)[C@@H](C)C1 221203978 573242985 /nfs/dbraw/zinc/24/29/85/573242985.db2.gz GZWPMTOEYKBFJQ-URBCHYCLSA-N 1 0 195.350 3.057 10 0 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/nfs/dbraw/zinc/58/82/19/573588219.db2.gz CFDZTRQNKIXYRJ-JTQLQIEISA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@@H]1c2cccc(C)c2[C@@H](C)[C@@H]1C 86719199 573588226 /nfs/dbraw/zinc/58/82/26/573588226.db2.gz GRDPQEKTHSRLJI-KWBADKCTSA-N 1 0 189.302 3.009 10 0 AGAERO Cc1ccc(C)c([C@@H](C)[C@H](C)C[NH3+])c1 87938975 573019918 /nfs/dbraw/zinc/01/99/18/573019918.db2.gz XCNVELWWDSJLII-NEPJUHHUSA-N 1 0 191.318 3.002 10 0 AGAERO CCCC(=[NH2+])N1C[C@H](CC)CC[C@H]1C 308477542 573024925 /nfs/dbraw/zinc/02/49/25/573024925.db2.gz LOXRVHAFEXSJMP-GHMZBOCLSA-N 1 0 196.338 3.274 10 0 AGAERO CCCC(=[NH2+])N1C[C@@H](CC)CC[C@H]1C 308477545 573024947 /nfs/dbraw/zinc/02/49/47/573024947.db2.gz LOXRVHAFEXSJMP-MNOVXSKESA-N 1 0 196.338 3.274 10 0 AGAERO CC1CCC([C@@H](C)[C@@H](C)C[NH3+])CC1 87938485 573020167 /nfs/dbraw/zinc/02/01/67/573020167.db2.gz XKBGHPAGCJABOB-YECOWLKZSA-N 1 0 183.339 3.044 10 0 AGAERO C[C@H](CCC1CCCC1)[NH+]1CCC1 308227436 573024964 /nfs/dbraw/zinc/02/49/64/573024964.db2.gz 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SXZZDZQULTXZER-IFWUJCSASA-N 1 0 195.350 3.058 10 0 AGAERO CCC(CC)CC[NH2+]C[C@@H]1C[C@@H]1C 308227993 573027649 /nfs/dbraw/zinc/02/76/49/573027649.db2.gz NRIIGTOEGYLNCX-JQWIXIFHSA-N 1 0 183.339 3.058 10 0 AGAERO C/C(=C/CC[NH3+])C[C@@H]1CCC[C@@H](C)C1 308477595 573025061 /nfs/dbraw/zinc/02/50/61/573025061.db2.gz KAZBFJCSRJTGOU-VWVDBLKVSA-N 1 0 195.350 3.498 10 0 AGAERO CC1CCC([C@@H]2CCC[C@@H]2C[NH3+])CC1 87940084 573025112 /nfs/dbraw/zinc/02/51/12/573025112.db2.gz PGWKNILSJHZNEU-TUUUFIMRSA-N 1 0 195.350 3.188 10 0 AGAERO CCCC(=[NH2+])N1C[C@@H](CC)CC[C@@H]1C 308477546 573025119 /nfs/dbraw/zinc/02/51/19/573025119.db2.gz LOXRVHAFEXSJMP-QWRGUYRKSA-N 1 0 196.338 3.274 10 0 AGAERO Cc1ccc(C)c2c1[C@@H]([NH3+])[C@@H](C)[C@H]2C 86718444 573591432 /nfs/dbraw/zinc/59/14/32/573591432.db2.gz GMCIRHHHSXSCJD-NRUUGDAUSA-N 1 0 189.302 3.056 10 0 AGAERO CC(C)C[C@@H]1C[C@@H](C)CC[C@H]1C[NH3+] 87944549 573027144 /nfs/dbraw/zinc/02/71/44/573027144.db2.gz WHUWRPNIZIKTNO-SDDRHHMPSA-N 1 0 183.339 3.044 10 0 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/nfs/dbraw/zinc/62/83/81/573628381.db2.gz URCQUWGUZKBZKR-LDYMZIIASA-N 1 0 195.693 3.153 10 0 AGAERO Cc1cc(C)c2c(c1)[C@@H]([NH3+])CC[C@H]2C 96551201 573628382 /nfs/dbraw/zinc/62/83/82/573628382.db2.gz PWGJVVRBFHYLQQ-SKDRFNHKSA-N 1 0 189.302 3.201 10 0 AGAERO C[C@H]1CC[C@@](C[NH3+])(CC2CCCC2)C1 83782806 573628509 /nfs/dbraw/zinc/62/85/09/573628509.db2.gz GNVVBJITHQYBHA-AAEUAGOBSA-N 1 0 195.350 3.332 10 0 AGAERO CCC[C@H]([NH3+])c1coc2ccccc12 96554492 573628523 /nfs/dbraw/zinc/62/85/23/573628523.db2.gz AHIFRBOHIXRRTL-NSHDSACASA-N 1 0 189.258 3.233 10 0 AGAERO C[C@@H]1CC[C@@H](c2ccccc2Cl)[NH2+]1 258072586 573629810 /nfs/dbraw/zinc/62/98/10/573629810.db2.gz URCQUWGUZKBZKR-KCJUWKMLSA-N 1 0 195.693 3.153 10 0 AGAERO C[C@H]1CC[C@](C[NH3+])(CC2CCCC2)C1 83782803 573629841 /nfs/dbraw/zinc/62/98/41/573629841.db2.gz GNVVBJITHQYBHA-WCQYABFASA-N 1 0 195.350 3.332 10 0 AGAERO C[C@H]1[NH2+]Cc2cccc3cccc1c23 75576318 573629972 /nfs/dbraw/zinc/62/99/72/573629972.db2.gz GHOWPWHHGCHXNQ-SECBINFHSA-N 1 0 183.254 3.004 10 0 AGAERO C[NH2+][C@H](C1CC1)C1CCC(C)(C)CC1 83778812 573630073 /nfs/dbraw/zinc/63/00/73/573630073.db2.gz WSXUMVPPTPGUCX-GFCCVEGCSA-N 1 0 195.350 3.201 10 0 AGAERO CCC1CCC(C(=[NH2+])NC(C)C)CC1 83778420 573630170 /nfs/dbraw/zinc/63/01/70/573630170.db2.gz NGOCKNSAHLNONT-UHFFFAOYSA-N 1 0 196.338 3.178 10 0 AGAERO Cc1ccc(C)c2c1[C@@H](C)CC[C@@H]2[NH3+] 96551189 573630200 /nfs/dbraw/zinc/63/02/00/573630200.db2.gz YNQDHDPHKZQVTN-ONGXEEELSA-N 1 0 189.302 3.201 10 0 AGAERO CCCC1(C[NH3+])CCCCCC1 83779031 573630219 /nfs/dbraw/zinc/63/02/19/573630219.db2.gz ZAROIVVINMEMQC-UHFFFAOYSA-N 1 0 169.312 3.086 10 0 AGAERO CC(C)[C@@H]([NH3+])c1coc2ccccc12 96554491 573630221 /nfs/dbraw/zinc/63/02/21/573630221.db2.gz PMLCQZSWDUCAOO-GFCCVEGCSA-N 1 0 189.258 3.089 10 0 AGAERO Cc1cscc1[C@H]1CCCCC[NH2+]1 86815145 573630224 /nfs/dbraw/zinc/63/02/24/573630224.db2.gz LCUZTGKPWZHQQP-LLVKDONJSA-N 1 0 195.331 3.261 10 0 AGAERO CC[C@@H]([NH2+]C)C1CCC(C)(C)CC1 83778767 573630231 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3.036 10 0 AGAERO CC[NH2+][C@@H](C)/C=C\C1CCC(C)CC1 308409808 573634685 /nfs/dbraw/zinc/63/46/85/573634685.db2.gz CKBXPLGACPPKGD-IMOVRQTLSA-N 1 0 195.350 3.367 10 0 AGAERO C[NH2+][C@H](C1CCCC1)[C@@H]1CC[C@H](C)C1 83787974 573634711 /nfs/dbraw/zinc/63/47/11/573634711.db2.gz PNYWWVKBPMGTIM-CYZMBNFOSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H]1CC[C@H]([C@H]([NH3+])C2CCCCC2)C1 83787726 573634782 /nfs/dbraw/zinc/63/47/82/573634782.db2.gz AHAFEIDMMLFSBY-KGYLQXTDSA-N 1 0 195.350 3.330 10 0 AGAERO C[NH2+][C@H](C1CCCC1)[C@H]1CC[C@@H](C)C1 83787968 573636036 /nfs/dbraw/zinc/63/60/36/573636036.db2.gz PNYWWVKBPMGTIM-KGYLQXTDSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+][C@H](C)C1CCC(C(C)(C)C)CC1 83786506 573636082 /nfs/dbraw/zinc/63/60/82/573636082.db2.gz AJOHEXJNWJBCQM-VOMCLLRMSA-N 1 0 197.366 3.447 10 0 AGAERO C[C@H]([NH2+]CCC1CCC1)C(C)(C)C 130647480 573636093 /nfs/dbraw/zinc/63/60/93/573636093.db2.gz GKQVNTJOPJGJCD-JTQLQIEISA-N 1 0 183.339 3.201 10 0 AGAERO C[C@@H]([NH3+])C1CCC(C(C)(C)C)CC1 83786459 573636146 /nfs/dbraw/zinc/63/61/46/573636146.db2.gz XEOPXSKFGSGXBK-KPPDAEKUSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@@H]1CCC[C@H](C(=[NH2+])NC(C)C)C1 83790811 573636232 /nfs/dbraw/zinc/63/62/32/573636232.db2.gz QIKAYNSRYZEHGT-MNOVXSKESA-N 1 0 196.338 3.178 10 0 AGAERO CCC[C@H]([NH3+])[C@@H](C)c1ccc(C)cc1 211821441 573637441 /nfs/dbraw/zinc/63/74/41/573637441.db2.gz KFCXQJDQWKZESC-AAEUAGOBSA-N 1 0 191.318 3.226 10 0 AGAERO CC[C@@H]1CC[C@@H]([C@H]([NH3+])C2CCCC2)C1 83800330 573637623 /nfs/dbraw/zinc/63/76/23/573637623.db2.gz GLMXOXCVXDMWQJ-RAIGVLPGSA-N 1 0 195.350 3.330 10 0 AGAERO CC1=[NH+][C@H](c2cc(C)c(C)[nH]2)C[C@@H]1C 238460217 573637658 /nfs/dbraw/zinc/63/76/58/573637658.db2.gz DKQWWTGZXSYEGP-UFBFGSQYSA-N 1 0 190.290 3.173 10 0 AGAERO CC[C@@H]1CC[C@H]([C@H]([NH3+])c2ccoc2)C1 83800730 573637874 /nfs/dbraw/zinc/63/78/74/573637874.db2.gz DQMGKNPLZOHQIO-SCVCMEIPSA-N 1 0 193.290 3.106 10 0 AGAERO CC[C@@H]1CC[C@H]([C@H]([NH3+])C2CCCC2)C1 83800327 573640488 /nfs/dbraw/zinc/64/04/88/573640488.db2.gz GLMXOXCVXDMWQJ-KGYLQXTDSA-N 1 0 195.350 3.330 10 0 AGAERO CCC1([C@H]([NH3+])CC2(C)CCCC2)CC1 308651445 573640492 /nfs/dbraw/zinc/64/04/92/573640492.db2.gz KLPLXEVVOXVSPX-LLVKDONJSA-N 1 0 195.350 3.474 10 0 AGAERO CCCCC[C@@H]1CC[NH2+]CC1(C)C 393545618 573640579 /nfs/dbraw/zinc/64/05/79/573640579.db2.gz FPUVHOUNZOECGY-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CCC[C@H]([NH2+]C)[C@H]1CC[C@H](CC)C1 83801128 573640663 /nfs/dbraw/zinc/64/06/63/573640663.db2.gz OAVNDDRDRNLKAI-SRVKXCTJSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCC12CCC2 308650930 573640681 /nfs/dbraw/zinc/64/06/81/573640681.db2.gz KJWCYEWJMHTGKS-ZYHUDNBSSA-N 1 0 193.334 3.097 10 0 AGAERO CC[C@H](C)[C@@]1([NH3+])CCCCC1(C)C 86845426 573643014 /nfs/dbraw/zinc/64/30/14/573643014.db2.gz OACKQQPKHNODGM-JQWIXIFHSA-N 1 0 183.339 3.330 10 0 AGAERO C[C@H]([NH2+]CC1(F)CCC1)C1CCCC1 308654629 573647564 /nfs/dbraw/zinc/64/75/64/573647564.db2.gz NGGXLVWWGHIZEY-JTQLQIEISA-N 1 0 199.313 3.047 10 0 AGAERO C/C(=C\c1ccccc1)CCCC[NH3+] 308653816 573647664 /nfs/dbraw/zinc/64/76/64/573647664.db2.gz MDMJUNZQMUPGIC-VAWYXSNFSA-N 1 0 189.302 3.219 10 0 AGAERO C[NH2+][C@H](C(C)C)[C@H]1CCCCC1(C)C 86849540 573647669 /nfs/dbraw/zinc/64/76/69/573647669.db2.gz UJHPVIROLGMSBD-VXGBXAGGSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)[C@H]([NH3+])[C@@H]1CCCCC1(C)C 86849523 573648679 /nfs/dbraw/zinc/64/86/79/573648679.db2.gz HEJIEDCYCMSNPH-QWRGUYRKSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@@H]([NH2+]C)[C@H]1CCCCC1(C)C 86849504 573648786 /nfs/dbraw/zinc/64/87/86/573648786.db2.gz YMUGGGJVAJZKNN-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[C@H]([NH3+])[C@@H]1C[C@@H]1C 83808346 573648911 /nfs/dbraw/zinc/64/89/11/573648911.db2.gz IKIJBKJGNKLNKA-OFTGVCEQSA-N 1 0 195.350 3.186 10 0 AGAERO CC(C)[C@H]([NH3+])[C@H]1CCCCC1(C)C 86849526 573649047 /nfs/dbraw/zinc/64/90/47/573649047.db2.gz HEJIEDCYCMSNPH-MNOVXSKESA-N 1 0 183.339 3.186 10 0 AGAERO C[NH2+][C@H](C1CCC(C)CC1)[C@@H]1C[C@@H]1C 83808974 573651478 /nfs/dbraw/zinc/65/14/78/573651478.db2.gz ZTZLDWHPWYIOJR-BEZKJRAVSA-N 1 0 195.350 3.057 10 0 AGAERO C[NH2+][C@H](C1CCC(C)CC1)[C@H]1C[C@@H]1C 83808976 573651490 /nfs/dbraw/zinc/65/14/90/573651490.db2.gz ZTZLDWHPWYIOJR-NPBHJFFNSA-N 1 0 195.350 3.057 10 0 AGAERO C[C@@H]1C[NH2+]CC[C@]12CCCCC2(C)C 86850634 573651505 /nfs/dbraw/zinc/65/15/05/573651505.db2.gz AOHHHKWUIYTAAX-DGCLKSJQSA-N 1 0 195.350 3.202 10 0 AGAERO C[C@@H](CCC1CC1)[NH2+]CC1(F)CCC1 308657100 573652894 /nfs/dbraw/zinc/65/28/94/573652894.db2.gz OQCZSWWTVNJGAN-JTQLQIEISA-N 1 0 199.313 3.047 10 0 AGAERO CC1(C)CCC[C@]1([NH3+])c1ccccc1 86865700 573658662 /nfs/dbraw/zinc/65/86/62/573658662.db2.gz GNNPKZMSBNIQGF-ZDUSSCGKSA-N 1 0 189.302 3.051 10 0 AGAERO C[NH2+][C@H](C)c1cc2cc(C)ccc2o1 83820113 573658690 /nfs/dbraw/zinc/65/86/90/573658690.db2.gz UGOBQSUXQURSIV-SECBINFHSA-N 1 0 189.258 3.022 10 0 AGAERO CC1(C)CCC[C@@]1([NH3+])c1ccsc1 86865847 573658760 /nfs/dbraw/zinc/65/87/60/573658760.db2.gz HEIFSASWDVUBDF-LLVKDONJSA-N 1 0 195.331 3.112 10 0 AGAERO CC1(C)CCC[C@@]1([NH3+])C1CCCC1 86865719 573658990 /nfs/dbraw/zinc/65/89/90/573658990.db2.gz NRFVOYKYYFJAGL-GFCCVEGCSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@H]([NH3+])c1cc2cc(C)ccc2o1 83821176 573659094 /nfs/dbraw/zinc/65/90/94/573659094.db2.gz UYQGMRYVVUUJHU-JTQLQIEISA-N 1 0 189.258 3.151 10 0 AGAERO C[NH2+][C@@H](C)c1cc2cc(C)ccc2o1 83820114 573659229 /nfs/dbraw/zinc/65/92/29/573659229.db2.gz UGOBQSUXQURSIV-VIFPVBQESA-N 1 0 189.258 3.022 10 0 AGAERO CC1(C)CCC[C@]1([NH3+])C1CCCC1 86865718 573659281 /nfs/dbraw/zinc/65/92/81/573659281.db2.gz NRFVOYKYYFJAGL-LBPRGKRZSA-N 1 0 181.323 3.084 10 0 AGAERO CCCC[C@@]1([NH3+])CCCC1(C)C 86865735 573659545 /nfs/dbraw/zinc/65/95/45/573659545.db2.gz SFBGALUWYPIAPG-LLVKDONJSA-N 1 0 169.312 3.084 10 0 AGAERO CC1(C)CCC[C@@]1([NH3+])C1CCCCC1 86865697 573659606 /nfs/dbraw/zinc/65/96/06/573659606.db2.gz VUOCFOUCKMXTNN-CYBMUJFWSA-N 1 0 195.350 3.474 10 0 AGAERO Cc1ccc2cc([C@H](C)[NH3+])oc2c1C 83820460 573659726 /nfs/dbraw/zinc/65/97/26/573659726.db2.gz VKVKTAQZDRQQJR-VIFPVBQESA-N 1 0 189.258 3.069 10 0 AGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CF 308664283 573662659 /nfs/dbraw/zinc/66/26/59/573662659.db2.gz ROJUYSSRANGIGE-GHMZBOCLSA-N 1 0 195.281 3.004 10 0 AGAERO CC(C)CC[C@]1([NH3+])CCCC1(C)C 86865730 573662666 /nfs/dbraw/zinc/66/26/66/573662666.db2.gz GGJLZGGUUJACOQ-GFCCVEGCSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H]([NH3+])c1cc2cccc(C)c2o1 83821204 573662760 /nfs/dbraw/zinc/66/27/60/573662760.db2.gz ZSRREJKOQUUILI-SNVBAGLBSA-N 1 0 189.258 3.151 10 0 AGAERO C[C@H]([NH2+]CCC1CCC1)[C@H]1CC1(C)C 308666661 573662772 /nfs/dbraw/zinc/66/27/72/573662772.db2.gz STGUELSWXLOSAH-CMPLNLGQSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@H](C)C[C@]1([NH3+])CCCC1(C)C 86865945 573662777 /nfs/dbraw/zinc/66/27/77/573662777.db2.gz BRBVVHAAELDUPZ-ZYHUDNBSSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H](C)C[C@@]1([NH3+])CCCC1(C)C 86865947 573662948 /nfs/dbraw/zinc/66/29/48/573662948.db2.gz BRBVVHAAELDUPZ-PWSUYJOCSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@H](C)C[C@]1([NH3+])CCCC1(C)C 86865946 573663059 /nfs/dbraw/zinc/66/30/59/573663059.db2.gz BRBVVHAAELDUPZ-CMPLNLGQSA-N 1 0 183.339 3.330 10 0 AGAERO CCc1ccc2oc([C@@H](C)[NH3+])cc2c1 83820712 573663096 /nfs/dbraw/zinc/66/30/96/573663096.db2.gz RYDKYMPFSZURRZ-MRVPVSSYSA-N 1 0 189.258 3.015 10 0 AGAERO CC(C)C(C)(C)[NH2+][C@@H](C)[C@H]1CC1(C)C 308666024 573663139 /nfs/dbraw/zinc/66/31/39/573663139.db2.gz SNJYKUORHRLLNG-WDEREUQCSA-N 1 0 197.366 3.445 10 0 AGAERO CC1(C)CCC[C@]1([NH3+])c1ccsc1 86865846 573663169 /nfs/dbraw/zinc/66/31/69/573663169.db2.gz HEIFSASWDVUBDF-NSHDSACASA-N 1 0 195.331 3.112 10 0 AGAERO C[C@@H]([NH2+]CCC1CCC1)[C@H]1CC1(C)C 308666664 573663170 /nfs/dbraw/zinc/66/31/70/573663170.db2.gz STGUELSWXLOSAH-ZYHUDNBSSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+][C@H](C)c1cc2cccc(C)c2o1 83820138 573663218 /nfs/dbraw/zinc/66/32/18/573663218.db2.gz PXCFWTHENDIFNE-SECBINFHSA-N 1 0 189.258 3.022 10 0 AGAERO Cc1ccc(C)c2oc([C@H](C)[NH3+])cc12 83820426 573663232 /nfs/dbraw/zinc/66/32/32/573663232.db2.gz KBDFBSRMICXXFZ-VIFPVBQESA-N 1 0 189.258 3.069 10 0 AGAERO CC(C)C(C)(C)[NH2+][C@H](C)[C@@H]1CC1(C)C 308666022 573663247 /nfs/dbraw/zinc/66/32/47/573663247.db2.gz SNJYKUORHRLLNG-MNOVXSKESA-N 1 0 197.366 3.445 10 0 AGAERO CC[C@@H]([NH3+])c1cc2cc(C)ccc2o1 83821178 573663250 /nfs/dbraw/zinc/66/32/50/573663250.db2.gz UYQGMRYVVUUJHU-SNVBAGLBSA-N 1 0 189.258 3.151 10 0 AGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CF 308664286 573663307 /nfs/dbraw/zinc/66/33/07/573663307.db2.gz ROJUYSSRANGIGE-WDEREUQCSA-N 1 0 195.281 3.004 10 0 AGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CF 308664284 573663346 /nfs/dbraw/zinc/66/33/46/573663346.db2.gz ROJUYSSRANGIGE-MNOVXSKESA-N 1 0 195.281 3.004 10 0 AGAERO C[NH2+][C@H](C(C)C)[C@H]1CCCC1(C)C 86869396 573665172 /nfs/dbraw/zinc/66/51/72/573665172.db2.gz ACOGWUXWMGUIMN-GHMZBOCLSA-N 1 0 183.339 3.057 10 0 AGAERO C[C@H]([NH2+]CCC1CCC1)[C@@H]1CC1(C)C 308666662 573665308 /nfs/dbraw/zinc/66/53/08/573665308.db2.gz 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NGANXVWSWFBWTG-NSHDSACASA-N 1 0 183.339 3.345 10 0 AGAERO C[C@H]1[NH2+]C2(CCCCC2)SC1(C)C 238494219 573718823 /nfs/dbraw/zinc/71/88/23/573718823.db2.gz UCUJQQYCWATFMH-SECBINFHSA-N 1 0 199.363 3.150 10 0 AGAERO C[C@H](C[NH2+][C@@H]1C[C@@H]1C1CC1)C(C)(C)C 308679717 573719130 /nfs/dbraw/zinc/71/91/30/573719130.db2.gz XHWKFFMHICJRIL-YUSALJHKSA-N 1 0 195.350 3.057 10 0 AGAERO CCCC[C@@]1(CC)CCCC[NH2+]1 258097690 573719318 /nfs/dbraw/zinc/71/93/18/573719318.db2.gz XMABFTZMWGXCBK-NSHDSACASA-N 1 0 169.312 3.099 10 0 AGAERO CC(C)([NH3+])[C@](C)(F)C1CCCCC1 257855875 573719342 /nfs/dbraw/zinc/71/93/42/573719342.db2.gz PWNZGPCYSYCNNO-LLVKDONJSA-N 1 0 187.302 3.032 10 0 AGAERO CC(C)([NH3+])[C@@](C)(F)C1CCCCC1 257855876 573720834 /nfs/dbraw/zinc/72/08/34/573720834.db2.gz PWNZGPCYSYCNNO-NSHDSACASA-N 1 0 187.302 3.032 10 0 AGAERO Cc1cccc([C@@H]2CC(C)(C)C[NH2+]2)c1 83966443 573720858 /nfs/dbraw/zinc/72/08/58/573720858.db2.gz ZWOAXJHUGBDSJM-LBPRGKRZSA-N 1 0 189.302 3.056 10 0 AGAERO C1CCCC([C@@H]2CC[NH2+]C23CC3)CC1 257855949 573720871 /nfs/dbraw/zinc/72/08/71/573720871.db2.gz PZODZMATHFTURZ-LBPRGKRZSA-N 1 0 193.334 3.099 10 0 AGAERO CCc1ccccc1[C@H]1CCCC[NH2+]1 75869412 573721113 /nfs/dbraw/zinc/72/11/13/573721113.db2.gz KQQLYHPTOLIWKA-CYBMUJFWSA-N 1 0 189.302 3.064 10 0 AGAERO [NH3+]C1([C@H](F)CC2CCCCCC2)CC1 257856183 573721401 /nfs/dbraw/zinc/72/14/01/573721401.db2.gz NQOKZIHQKJEBBT-LLVKDONJSA-N 1 0 199.313 3.176 10 0 AGAERO Cc1ccccc1[C@H]1CC(C)(C)C[NH2+]1 83966438 573721434 /nfs/dbraw/zinc/72/14/34/573721434.db2.gz OOAZXHNPTKEXJS-GFCCVEGCSA-N 1 0 189.302 3.056 10 0 AGAERO [NH3+]C1([C@H](CF)C2CCCCCC2)CC1 257851458 573725550 /nfs/dbraw/zinc/72/55/50/573725550.db2.gz MTHCNPQKSGVSEE-LLVKDONJSA-N 1 0 199.313 3.034 10 0 AGAERO C[C@H]1CC=C(C[NH2+]C2CCCC2)[C@@H]1C 238488394 573728458 /nfs/dbraw/zinc/72/84/58/573728458.db2.gz DBGGRPCATVTLHI-WDEREUQCSA-N 1 0 193.334 3.121 10 0 AGAERO [NH3+]C1([C@@H](CF)C2CCCCCC2)CC1 257851460 573727714 /nfs/dbraw/zinc/72/77/14/573727714.db2.gz MTHCNPQKSGVSEE-NSHDSACASA-N 1 0 199.313 3.034 10 0 AGAERO Cc1ccc2ccc([C@H](C)C[NH3+])cc2c1 257852782 573730628 /nfs/dbraw/zinc/73/06/28/573730628.db2.gz NARJYLXBNHCKSU-LLVKDONJSA-N 1 0 199.297 3.210 10 0 AGAERO Cc1c(Cl)cccc1[C@H](C)CC[NH3+] 83983622 573730667 /nfs/dbraw/zinc/73/06/67/573730667.db2.gz BGCVCNZPGFBSIJ-MRVPVSSYSA-N 1 0 197.709 3.101 10 0 AGAERO Cc1ccc(Cl)cc1[C@@H](C)CC[NH3+] 83983623 573730693 /nfs/dbraw/zinc/73/06/93/573730693.db2.gz JHMNZZLBBPNIFH-VIFPVBQESA-N 1 0 197.709 3.101 10 0 AGAERO C[C@H]1C[C@@H](C2CC[NH2+]CC2)CC[C@H]1C 75904750 573730713 /nfs/dbraw/zinc/73/07/13/573730713.db2.gz QYYFOOOXFHZYQS-MDZLAQPJSA-N 1 0 195.350 3.058 10 0 AGAERO CC(C)[NH2+]C[C@@]1(C(C)C)CC[C@H](C)C1 317817338 573730763 /nfs/dbraw/zinc/73/07/63/573730763.db2.gz BSHXRZNAKGZXMC-QWHCGFSZSA-N 1 0 197.366 3.447 10 0 AGAERO CCCC1(/C=C\C[NH2+]CC)CCC1 686125937 573731056 /nfs/dbraw/zinc/73/10/56/573731056.db2.gz KXXBVOCSNXTLCJ-POHAHGRESA-N 1 0 181.323 3.123 10 0 AGAERO Cc1ccc(Cl)cc1[C@H](C)CC[NH3+] 83983624 573731114 /nfs/dbraw/zinc/73/11/14/573731114.db2.gz JHMNZZLBBPNIFH-SECBINFHSA-N 1 0 197.709 3.101 10 0 AGAERO C[C@]1(F)CCC[C@@H](CCC2([NH3+])CC2)C1 257853673 573735198 /nfs/dbraw/zinc/73/51/98/573735198.db2.gz NEHAWDKBTSEKPW-QWRGUYRKSA-N 1 0 199.313 3.176 10 0 AGAERO C1CCC2=C(C1)CC[C@@H]1CCCC[N@@H+]21 223427749 573735431 /nfs/dbraw/zinc/73/54/31/573735431.db2.gz WWCDOBQRYUQUEU-LBPRGKRZSA-N 1 0 191.318 3.463 10 0 AGAERO C[C@]1(F)CCC[C@H](CCC2([NH3+])CC2)C1 257853671 573735576 /nfs/dbraw/zinc/73/55/76/573735576.db2.gz NEHAWDKBTSEKPW-MNOVXSKESA-N 1 0 199.313 3.176 10 0 AGAERO Cc1ccc(C(F)F)cc1C(C)(C)[NH3+] 258113588 573736257 /nfs/dbraw/zinc/73/62/57/573736257.db2.gz LOYNJACVGNXOPA-UHFFFAOYSA-N 1 0 199.244 3.126 10 0 AGAERO C[C@@]1(F)CCC[C@@H](CCC2([NH3+])CC2)C1 257853675 573736314 /nfs/dbraw/zinc/73/63/14/573736314.db2.gz NEHAWDKBTSEKPW-WDEREUQCSA-N 1 0 199.313 3.176 10 0 AGAERO CCCC1([C@@H]2C[C@H](C)[NH2+][C@H]2C)CCC1 686124634 573736335 /nfs/dbraw/zinc/73/63/35/573736335.db2.gz AQWXQEUVKMUNGK-SDDRHHMPSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@H]1CC=CC[C@@H](c2ccccc2)[NH2+]1 238489035 573736417 /nfs/dbraw/zinc/73/64/17/573736417.db2.gz ATGAJWMLEBXZHV-AAEUAGOBSA-N 1 0 187.286 3.056 10 0 AGAERO CCC/C=C\C[NH2+]CCC1=CCCC1 308696471 573738794 /nfs/dbraw/zinc/73/87/94/573738794.db2.gz REKYYEZADRTYFG-DAXSKMNVSA-N 1 0 193.334 3.433 10 0 AGAERO CC[C@H](C)[C@](C)([NH3+])c1sccc1C 87021104 573743140 /nfs/dbraw/zinc/74/31/40/573743140.db2.gz XHNQGMOEHHFCCE-ONGXEEELSA-N 1 0 197.347 3.277 10 0 AGAERO C[NH2+][C@@H]1CC[C@H](C)c2ccc(C)cc21 108300596 573743175 /nfs/dbraw/zinc/74/31/75/573743175.db2.gz UAEWBNQBMUVVFZ-GXFFZTMASA-N 1 0 189.302 3.153 10 0 AGAERO C[C@]1(C2CCCCC2)C[C@@H](F)CC[NH2+]1 258103610 573742450 /nfs/dbraw/zinc/74/24/50/573742450.db2.gz OCDRAHJXYDXDBQ-NWDGAFQWSA-N 1 0 199.313 3.047 10 0 AGAERO CC[C@@H]([NH2+][C@H](C)CC(F)F)C(C)C 308428428 573742599 /nfs/dbraw/zinc/74/25/99/573742599.db2.gz YGYWYOODJKKAPB-RKDXNWHRSA-N 1 0 193.281 3.054 10 0 AGAERO Cc1cc(C(C)C)cc([C@H](C)[NH3+])c1C 258103667 573742616 /nfs/dbraw/zinc/74/26/16/573742616.db2.gz OZGKIRSFXUDUOE-NSHDSACASA-N 1 0 191.318 3.447 10 0 AGAERO Cc1ccsc1[C@H]1CCC[C@H]([NH3+])C1 87023049 573742618 /nfs/dbraw/zinc/74/26/18/573742618.db2.gz LKFLGQZAMHFWFC-UWVGGRQHSA-N 1 0 195.331 3.041 10 0 AGAERO CC[C@H]([NH2+][C@H](C)CC(F)F)C(C)C 308428417 573742633 /nfs/dbraw/zinc/74/26/33/573742633.db2.gz YGYWYOODJKKAPB-BDAKNGLRSA-N 1 0 193.281 3.054 10 0 AGAERO Cc1ccc([C@H]2C[C@H](C)CC[NH2+]2)s1 84020397 573742704 /nfs/dbraw/zinc/74/27/04/573742704.db2.gz GKGXJNSTHQATGX-PSASIEDQSA-N 1 0 195.331 3.117 10 0 AGAERO Cc1ccsc1C(C)(C)C[C@H](C)[NH3+] 87023304 573742714 /nfs/dbraw/zinc/74/27/14/573742714.db2.gz RBFXMGONELXDGY-VIFPVBQESA-N 1 0 197.347 3.071 10 0 AGAERO CC[C@@]1(c2sccc2C)CCC[NH2+]1 87022190 573742722 /nfs/dbraw/zinc/74/27/22/573742722.db2.gz AAAMVUXICZHNPY-NSHDSACASA-N 1 0 195.331 3.045 10 0 AGAERO C[NH2+][C@@H]1CC[C@@H](C)c2ccc(C)cc21 108300600 573742860 /nfs/dbraw/zinc/74/28/60/573742860.db2.gz UAEWBNQBMUVVFZ-ZWNOBZJWSA-N 1 0 189.302 3.153 10 0 AGAERO CC[C@@]([NH3+])(c1ccc(C)s1)C(C)C 84007394 573742980 /nfs/dbraw/zinc/74/29/80/573742980.db2.gz HQUTYSDSTWRTLA-NSHDSACASA-N 1 0 197.347 3.277 10 0 AGAERO Cc1ccsc1[C@H]1C[C@@H](C)CC[NH2+]1 87022939 573743036 /nfs/dbraw/zinc/74/30/36/573743036.db2.gz RVVFJWSJDNILCE-WCBMZHEXSA-N 1 0 195.331 3.117 10 0 AGAERO CC[C@]([NH3+])(c1ccc(C)s1)C(C)C 84007395 573743037 /nfs/dbraw/zinc/74/30/37/573743037.db2.gz HQUTYSDSTWRTLA-LLVKDONJSA-N 1 0 197.347 3.277 10 0 AGAERO Cc1ccsc1[C@@H]1CCCC[C@@H]1[NH3+] 87022773 573743090 /nfs/dbraw/zinc/74/30/90/573743090.db2.gz NGSOSTAAPSXZHU-ZJUUUORDSA-N 1 0 195.331 3.041 10 0 AGAERO C[C@@H](C[C@@H]([NH3+])C(C)(C)C)C(C)(C)C 126985344 573745576 /nfs/dbraw/zinc/74/55/76/573745576.db2.gz VPNFBDUFBZNHNE-VHSXEESVSA-N 1 0 185.355 3.432 10 0 AGAERO CCC(CC)[NH2+]C/C=C/c1ccco1 127001976 573745593 /nfs/dbraw/zinc/74/55/93/573745593.db2.gz PBZMHSHCTCESAL-FNORWQNLSA-N 1 0 193.290 3.071 10 0 AGAERO CC[C@H](C)[C@@](C)([NH3+])c1sccc1C 87021109 573745763 /nfs/dbraw/zinc/74/57/63/573745763.db2.gz XHNQGMOEHHFCCE-GXSJLCMTSA-N 1 0 197.347 3.277 10 0 AGAERO C[C@H]1CC[C@@H](CC[NH3+])c2ccccc21 108300623 573747055 /nfs/dbraw/zinc/74/70/55/573747055.db2.gz OILOZJUKQXGYLP-QWRGUYRKSA-N 1 0 189.302 3.016 10 0 AGAERO CCC[C@@H](C)[C@H]([NH2+]CC)C(C)(C)C 127023615 573747615 /nfs/dbraw/zinc/74/76/15/573747615.db2.gz MHHRSLPBSIZJIU-MNOVXSKESA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@@H](C)[NH2+]C/C=C/c1ccco1 126999075 573747726 /nfs/dbraw/zinc/74/77/26/573747726.db2.gz APJVTCAHIPYNMU-TZOMUSMUSA-N 1 0 193.290 3.071 10 0 AGAERO CCC[C@@H]1C[NH2+]CC[C@@H]1[C@@]1(C)C[C@@H]1C 714742556 573750156 /nfs/dbraw/zinc/75/01/56/573750156.db2.gz HSJVUMKDFJIIRN-RNJOBUHISA-N 1 0 195.350 3.058 10 0 AGAERO C[C@@](F)(C1CCC1)[C@@H]1CCCCC[NH2+]1 257864338 573750364 /nfs/dbraw/zinc/75/03/64/573750364.db2.gz PHOLSHCYVYLHBD-NWDGAFQWSA-N 1 0 199.313 3.047 10 0 AGAERO Cc1ccccc1C1=[NH+][C@H]2CCC[C@H]2C1 214844524 573750534 /nfs/dbraw/zinc/75/05/34/573750534.db2.gz LXGKETNUJPTPFY-AAEUAGOBSA-N 1 0 199.297 3.357 10 0 AGAERO CCC[C@@H]1C[NH2+]CC[C@@H]1[C@@]1(C)C[C@H]1C 714742547 573750614 /nfs/dbraw/zinc/75/06/14/573750614.db2.gz HSJVUMKDFJIIRN-NDBYEHHHSA-N 1 0 195.350 3.058 10 0 AGAERO C[C@H]([NH3+])c1cc2c(F)cccc2s1 257865771 573753276 /nfs/dbraw/zinc/75/32/76/573753276.db2.gz HOEBKVYDTYYTIH-LURJTMIESA-N 1 0 195.262 3.060 10 0 AGAERO CC(C)c1ccc2occ(C[NH3+])c2c1 84061787 573753309 /nfs/dbraw/zinc/75/33/09/573753309.db2.gz DLKIDICRCQXRHV-UHFFFAOYSA-N 1 0 189.258 3.015 10 0 AGAERO CC(C)c1cccc2c(C[NH3+])coc12 84061821 573753934 /nfs/dbraw/zinc/75/39/34/573753934.db2.gz YQYWNCOKGPPCRD-UHFFFAOYSA-N 1 0 189.258 3.015 10 0 AGAERO CC[NH2+][C@@H]([C@@H](C)C(C)C)C(C)(C)C 127048370 573754021 /nfs/dbraw/zinc/75/40/21/573754021.db2.gz SFYSGEGNLJRQRJ-QWRGUYRKSA-N 1 0 185.355 3.303 10 0 AGAERO C/C(=C/c1ccccc1C)CCC[NH3+] 308708241 573760304 /nfs/dbraw/zinc/76/03/04/573760304.db2.gz XNSANYUYJNAOBY-KHPPLWFESA-N 1 0 189.302 3.137 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CC=CCC2)C1 84066284 573763615 /nfs/dbraw/zinc/76/36/15/573763615.db2.gz DFYRLRWXTJCAHH-AGIUHOORSA-N 1 0 193.334 3.263 10 0 AGAERO CCCC[C@H](CC)[C@@H]([NH3+])C=C(C)C 131015709 573764133 /nfs/dbraw/zinc/76/41/33/573764133.db2.gz QRBXNXJTFSEVHR-RYUDHWBXSA-N 1 0 183.339 3.496 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC=CCC2)C1 84066286 573764221 /nfs/dbraw/zinc/76/42/21/573764221.db2.gz DFYRLRWXTJCAHH-FRRDWIJNSA-N 1 0 193.334 3.263 10 0 AGAERO CC[NH2+][C@H](C=C(C)C)c1ccc(C)o1 131127138 573764326 /nfs/dbraw/zinc/76/43/26/573764326.db2.gz BEANEZDFGMQKAQ-LLVKDONJSA-N 1 0 193.290 3.205 10 0 AGAERO [NH3+]C1(CCC23CCCC2CCC3)CC1 257870366 573767297 /nfs/dbraw/zinc/76/72/97/573767297.db2.gz SXVNJTYQDGBCBY-UHFFFAOYSA-N 1 0 193.334 3.228 10 0 AGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]1CC 308718512 573773007 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CC[C@@H](C[NH2+]CC1CCCC1)C(C)C 308732478 573800036 /nfs/dbraw/zinc/80/00/36/573800036.db2.gz KCQYTEDDCDFZCL-ZDUSSCGKSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@H]1CC[C@H]([NH2+]C2(C3CC3)CC2)C1 308732495 573800247 /nfs/dbraw/zinc/80/02/47/573800247.db2.gz KDIPQWSBEPIDHA-JQWIXIFHSA-N 1 0 193.334 3.097 10 0 AGAERO Cc1ccc2c(c1)nc(C)n2C(C)C 76210373 573800872 /nfs/dbraw/zinc/80/08/72/573800872.db2.gz NHNJFBJWAQAFDX-UHFFFAOYSA-N 1 0 188.274 3.234 10 0 AGAERO CCC[C@H](C)[NH2+]CC1(C2CC2)CCC1 131254345 573800889 /nfs/dbraw/zinc/80/08/89/573800889.db2.gz VNZDFOOEPUVUKF-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH2+]C2(C3CC3)CC2)C1 308732497 573800894 /nfs/dbraw/zinc/80/08/94/573800894.db2.gz KDIPQWSBEPIDHA-ZYHUDNBSSA-N 1 0 193.334 3.097 10 0 AGAERO CC/C=C\CC[N@H+](C)C(CC)CC 308438072 573801273 /nfs/dbraw/zinc/80/12/73/573801273.db2.gz XQSUGIVNFVREPJ-HJWRWDBZSA-N 1 0 183.339 3.463 10 0 AGAERO CCSCCCCC[C@H]([NH3+])CC 131247927 573801425 /nfs/dbraw/zinc/80/14/25/573801425.db2.gz 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127290484 573806599 /nfs/dbraw/zinc/80/65/99/573806599.db2.gz BMWBUAOTZGJITF-ZYHUDNBSSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(CC)[C@@H]([NH2+]C)[C@H](C)CC 87170348 573806695 /nfs/dbraw/zinc/80/66/95/573806695.db2.gz FFCDQGMMGWNDID-KOLCDFICSA-N 1 0 171.328 3.057 10 0 AGAERO CCC(CC)[C@]1([NH3+])CCCC[C@H]1C 87159051 573806701 /nfs/dbraw/zinc/80/67/01/573806701.db2.gz XXTDQRPJPXLDBD-PWSUYJOCSA-N 1 0 183.339 3.330 10 0 AGAERO Cc1cc([C@H](C)CC[NH3+])cc(C)c1C 258138689 573809400 /nfs/dbraw/zinc/80/94/00/573809400.db2.gz SGNJIVPBIKRBIR-SECBINFHSA-N 1 0 191.318 3.064 10 0 AGAERO CCC[C@@H](C[NH2+]C)C(CC)CC 87172090 573809444 /nfs/dbraw/zinc/80/94/44/573809444.db2.gz OAGRJFRZBJGHSU-NSHDSACASA-N 1 0 171.328 3.058 10 0 AGAERO CCC(CC)C1([NH3+])CCC(C)CC1 87159025 573809554 /nfs/dbraw/zinc/80/95/54/573809554.db2.gz YWXDWILTZYLOMB-UHFFFAOYSA-N 1 0 183.339 3.330 10 0 AGAERO CCCC[C@H]([NH2+]CC)c1cc(C)co1 716200397 573809613 /nfs/dbraw/zinc/80/96/13/573809613.db2.gz LWFLWDGJUZSKEP-NSHDSACASA-N 1 0 195.306 3.429 10 0 AGAERO C[NH2+][C@@H](C)C[C@H](F)c1ccccc1C 257882231 573809727 /nfs/dbraw/zinc/80/97/27/573809727.db2.gz VPLGCKRSVZIALI-JQWIXIFHSA-N 1 0 195.281 3.004 10 0 AGAERO CCC(CC)[C@@]([NH3+])(CC)C(C)C 87168992 573809913 /nfs/dbraw/zinc/80/99/13/573809913.db2.gz ZBFQSAWSRWYMQR-LLVKDONJSA-N 1 0 171.328 3.186 10 0 AGAERO CCC[C@](C)(C[NH2+]CC)[C@@H](C)CC 87172673 573809937 /nfs/dbraw/zinc/80/99/37/573809937.db2.gz KFEFLYVLFJZDKQ-NWDGAFQWSA-N 1 0 185.355 3.448 10 0 AGAERO CCC(CC)[C@H]1CCCCC[C@H]1[NH3+] 87173625 573809982 /nfs/dbraw/zinc/80/99/82/573809982.db2.gz GEYRUFXYZPIOPP-VXGBXAGGSA-N 1 0 183.339 3.330 10 0 AGAERO C[C@@](F)(C1CCCCCC1)[C@@H]1CC[NH2+]1 257879179 573810065 /nfs/dbraw/zinc/81/00/65/573810065.db2.gz RTCHCUIZMRETKF-NWDGAFQWSA-N 1 0 199.313 3.047 10 0 AGAERO CCC(CC)[C@H]1CCCCC[C@@H]1[NH3+] 87173619 573810086 /nfs/dbraw/zinc/81/00/86/573810086.db2.gz GEYRUFXYZPIOPP-NEPJUHHUSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H](C)CC[C@H]([NH3+])C1CCCC1 127290017 573810098 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SVIAGDVYQHDOPO-UHFFFAOYSA-N 1 0 191.318 3.114 10 0 AGAERO CCC(CC)=C1CCC[C@@H]([NH3+])C1 87177894 573811962 /nfs/dbraw/zinc/81/19/62/573811962.db2.gz KPMWCAVYVCTFCE-LLVKDONJSA-N 1 0 167.296 3.004 10 0 AGAERO CC(C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 41047303 573812054 /nfs/dbraw/zinc/81/20/54/573812054.db2.gz SQWXQDYASDYHMR-YNEHKIRRSA-N 1 0 195.350 3.201 10 0 AGAERO Cc1coc([C@H]([NH3+])C2CCCCC2)c1 716198654 573812064 /nfs/dbraw/zinc/81/20/64/573812064.db2.gz HDYAHZVUOOYKQN-GFCCVEGCSA-N 1 0 193.290 3.168 10 0 AGAERO CCCC[C@@H](CC)CC(C)(C)[NH3+] 43456146 573812122 /nfs/dbraw/zinc/81/21/22/573812122.db2.gz BHBNUSHOWFLQDA-SNVBAGLBSA-N 1 0 171.328 3.330 10 0 AGAERO CC/C(=C1\CCC[C@@H](C)C1)C1C[NH2+]C1 716207106 573812265 /nfs/dbraw/zinc/81/22/65/573812265.db2.gz COBMXTNHHOSDIK-QGDAWOFLSA-N 1 0 193.334 3.123 10 0 AGAERO CC(C)[NH2+]C[C@@H](C)C1CC2(CCC2)C1 717558548 573812346 /nfs/dbraw/zinc/81/23/46/573812346.db2.gz AAHGDSGLYMOTML-LLVKDONJSA-N 1 0 195.350 3.201 10 0 AGAERO 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DOOZLOKUWBGJFK-UHFFFAOYSA-N 1 0 183.339 3.297 10 0 AGAERO C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)[C@H](C)C1 84327451 573829590 /nfs/dbraw/zinc/82/95/90/573829590.db2.gz OCDAULCZEVVNCY-IJLUTSLNSA-N 1 0 197.366 3.447 10 0 AGAERO CCCCCC[C@H]([NH3+])c1nccs1 41059828 573829651 /nfs/dbraw/zinc/82/96/51/573829651.db2.gz OXQUONNJBYZAKJ-VIFPVBQESA-N 1 0 198.335 3.113 10 0 AGAERO C[Si](C)(C)C[C@@H]([NH3+])c1cccs1 238526516 573829785 /nfs/dbraw/zinc/82/97/85/573829785.db2.gz ZXHZNYGQKQPLEC-MRVPVSSYSA-N 1 0 199.395 3.086 10 0 AGAERO C[C@@H]1[NH2+][C@H](C)C[C@H]1C1CCCCCC1 84329010 573829873 /nfs/dbraw/zinc/82/98/73/573829873.db2.gz HDLTYTVQGGYUNT-NTZNESFSSA-N 1 0 195.350 3.343 10 0 AGAERO C[NH2+][C@@H]([C@@H](C)C1CC1)[C@H](C)CC(C)C 308446385 573829962 /nfs/dbraw/zinc/82/99/62/573829962.db2.gz ASGDVRXOKDHAKS-NTZNESFSSA-N 1 0 197.366 3.303 10 0 AGAERO C[C@H]1C[C@@H](C[NH2+]C2CC2)CC(C)(C)C1 84326883 573829995 /nfs/dbraw/zinc/82/99/95/573829995.db2.gz QXGGXOUUKQYVAN-WDEREUQCSA-N 1 0 195.350 3.201 10 0 AGAERO 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/nfs/dbraw/zinc/00/49/37/574004937.db2.gz WTPSGSFSMGWKAL-NEPJUHHUSA-N 1 0 199.313 3.047 10 0 AGAERO CCCc1ccccc1[C@@H]1CCC[NH2+]1 104487001 574005139 /nfs/dbraw/zinc/00/51/39/574005139.db2.gz KNTAWLISJBAUHE-ZDUSSCGKSA-N 1 0 189.302 3.064 10 0 AGAERO C[C@H](CC[NH3+])c1cccc(C(F)F)c1 258200875 574005183 /nfs/dbraw/zinc/00/51/83/574005183.db2.gz SNZFVLBDGPKYDS-MRVPVSSYSA-N 1 0 199.244 3.077 10 0 AGAERO C[C@]1(C2CCCCCC2)C[C@H](F)C[NH2+]1 258200102 574005282 /nfs/dbraw/zinc/00/52/82/574005282.db2.gz WTPSGSFSMGWKAL-NWDGAFQWSA-N 1 0 199.313 3.047 10 0 AGAERO CCCCC[C@H](C)[NH2+]Cc1ccc[nH]1 48408932 574005387 /nfs/dbraw/zinc/00/53/87/574005387.db2.gz PYNYAOQMHWXGAR-NSHDSACASA-N 1 0 194.322 3.073 10 0 AGAERO C[C@@H]([NH3+])c1ccc(CC(C)(C)C)cc1 258198820 574007050 /nfs/dbraw/zinc/00/70/50/574007050.db2.gz YECMRGSQXIKJDL-SNVBAGLBSA-N 1 0 191.318 3.295 10 0 AGAERO CC(C)[C@@H]([NH3+])c1ccsc1Cl 104494574 574007501 /nfs/dbraw/zinc/00/75/01/574007501.db2.gz OYOGEDWHDINAMC-SSDOTTSWSA-N 1 0 189.711 3.057 10 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/nfs/dbraw/zinc/01/10/70/574011070.db2.gz OYOGEDWHDINAMC-ZETCQYMHSA-N 1 0 189.711 3.057 10 0 AGAERO CC1=C(C)C[C@@H](c2ccccc2)[NH2+]C1 238246067 574011197 /nfs/dbraw/zinc/01/11/97/574011197.db2.gz DGFLBXXENSIVCB-ZDUSSCGKSA-N 1 0 187.286 3.057 10 0 AGAERO CC[C@@H]([NH3+])c1csc(C(F)F)c1 104491936 574011343 /nfs/dbraw/zinc/01/13/43/574011343.db2.gz IVNGWINCTXBCJM-ZCFIWIBFSA-N 1 0 191.246 3.096 10 0 AGAERO CC[C@H]([NH3+])c1cccc(C(F)F)c1 104492806 574010740 /nfs/dbraw/zinc/01/07/40/574010740.db2.gz LIEDNFBFZIDZEK-VIFPVBQESA-N 1 0 185.217 3.034 10 0 AGAERO CCC[C@H]1C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C1 238247592 574011592 /nfs/dbraw/zinc/01/15/92/574011592.db2.gz FIHAXLOFDXVORI-NDBYEHHHSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@H]([NH3+])c1cc(F)cc(F)c1C 104496624 574012053 /nfs/dbraw/zinc/01/20/53/574012053.db2.gz CPYHOGDGUQUWFP-NSHDSACASA-N 1 0 199.244 3.073 10 0 AGAERO CC(C)(C)c1cccc([C@@H]2CC[NH2+]2)c1 104499397 574012176 /nfs/dbraw/zinc/01/21/76/574012176.db2.gz LCNQFYIADGQWBB-LBPRGKRZSA-N 1 0 189.302 3.019 10 0 AGAERO Cc1ccc(C(C)C)cc1[C@H]1CC[NH2+]1 104499372 574012913 /nfs/dbraw/zinc/01/29/13/574012913.db2.gz XUOFXQFRNCKVMI-CYBMUJFWSA-N 1 0 189.302 3.153 10 0 AGAERO CCc1ccc(Cl)cc1[C@@H]([NH3+])CC 104498741 574014527 /nfs/dbraw/zinc/01/45/27/574014527.db2.gz HENJGYFSMNVIAS-NSHDSACASA-N 1 0 197.709 3.312 10 0 AGAERO CC[NH2+][C@@H](CC)CC(CC)CC 128062162 574014656 /nfs/dbraw/zinc/01/46/56/574014656.db2.gz IGKWGPJSLLECMJ-NSHDSACASA-N 1 0 171.328 3.201 10 0 AGAERO CC[NH2+][C@@H](CC(CC)CC)C(C)C 128059174 574014790 /nfs/dbraw/zinc/01/47/90/574014790.db2.gz YABWAIZHUDBDCH-LBPRGKRZSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)C[C@H]([NH3+])CC(F)(F)F 128070890 574014852 /nfs/dbraw/zinc/01/48/52/574014852.db2.gz FFKDYWXMKMXXBK-QMMMGPOBSA-N 1 0 197.244 3.092 10 0 AGAERO CCC[C@H](CC(CC)CC)[NH2+]C 128065370 574014983 /nfs/dbraw/zinc/01/49/83/574014983.db2.gz PASSEOLLLSTNFL-LLVKDONJSA-N 1 0 171.328 3.201 10 0 AGAERO CC(C)[C@H]([NH3+])c1cccc(C(F)F)c1 104503104 574016287 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CCC(CC)C[C@@H]([NH3+])CC(F)(F)F 128071127 574016584 /nfs/dbraw/zinc/01/65/84/574016584.db2.gz FFKDYWXMKMXXBK-MRVPVSSYSA-N 1 0 197.244 3.092 10 0 AGAERO CC[NH2+]CC(C)(C)CCCC(C)C 128059973 574016665 /nfs/dbraw/zinc/01/66/65/574016665.db2.gz KNICFPMWJPJVHA-UHFFFAOYSA-N 1 0 185.355 3.448 10 0 AGAERO CCc1c(Cl)cccc1[C@@H]([NH3+])CC 104499829 574016698 /nfs/dbraw/zinc/01/66/98/574016698.db2.gz ADTMSMSTNHQNEX-NSHDSACASA-N 1 0 197.709 3.312 10 0 AGAERO CC[C@H]([NH3+])c1oc2ccccc2c1C 104500464 574016756 /nfs/dbraw/zinc/01/67/56/574016756.db2.gz PPZUHQPKZBGNFL-JTQLQIEISA-N 1 0 189.258 3.151 10 0 AGAERO CCC(CC)C[C@H]([NH2+]C)C(C)C 128058728 574016787 /nfs/dbraw/zinc/01/67/87/574016787.db2.gz VFEZOMCYKKVPAN-NSHDSACASA-N 1 0 171.328 3.057 10 0 AGAERO CC(C)(C)c1ccccc1[C@@H]1CC[NH2+]1 104502513 574016795 /nfs/dbraw/zinc/01/67/95/574016795.db2.gz UQLMOXPWQQWRLV-LBPRGKRZSA-N 1 0 189.302 3.019 10 0 AGAERO Cc1ccc(C(C)C)cc1[C@@H]1CC[NH2+]1 104500487 574016989 /nfs/dbraw/zinc/01/69/89/574016989.db2.gz XUOFXQFRNCKVMI-ZDUSSCGKSA-N 1 0 189.302 3.153 10 0 AGAERO C[C@H]1C[C@@]1([NH3+])C1CCCCCCC1 87690640 574017719 /nfs/dbraw/zinc/01/77/19/574017719.db2.gz GDDKGUNWMATBFF-JQWIXIFHSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@@H]1C[C@@]1([NH3+])C1CCCCCCC1 87690643 574017736 /nfs/dbraw/zinc/01/77/36/574017736.db2.gz HZOMNBOGTJFAMO-YPMHNXCESA-N 1 0 195.350 3.474 10 0 AGAERO CCC[C@@H]([NH3+])c1cc(Cl)ccc1C 104501846 574017749 /nfs/dbraw/zinc/01/77/49/574017749.db2.gz DSUQWUKCVIAWAQ-LLVKDONJSA-N 1 0 197.709 3.448 10 0 AGAERO [NH3+][C@H](c1ccccc1C(F)F)C1CC1 104501731 574017820 /nfs/dbraw/zinc/01/78/20/574017820.db2.gz WGZBDHCYGGIXFG-JTQLQIEISA-N 1 0 197.228 3.034 10 0 AGAERO C=Cc1ccccc1[C@@H]1CCCC[NH2+]1 104501403 574017920 /nfs/dbraw/zinc/01/79/20/574017920.db2.gz RCQFHIIBNIZVDT-ZDUSSCGKSA-N 1 0 187.286 3.144 10 0 AGAERO CC(C)CC1([NH3+])CCCCCCC1 87690177 574018084 /nfs/dbraw/zinc/01/80/84/574018084.db2.gz VMFZODHMXZFGJS-UHFFFAOYSA-N 1 0 183.339 3.474 10 0 AGAERO [NH3+][C@H](CC1CC1)C1CCCCCCC1 87690323 574018104 /nfs/dbraw/zinc/01/81/04/574018104.db2.gz SVEDOADJZYILJC-CYBMUJFWSA-N 1 0 195.350 3.474 10 0 AGAERO C[NH2+][C@H](C1CCCCCCC1)C1CC1 87690462 574018143 /nfs/dbraw/zinc/01/81/43/574018143.db2.gz YQADVMDZOGZILK-CYBMUJFWSA-N 1 0 195.350 3.345 10 0 AGAERO [NH3+][C@@H](C1CCCCCCC1)C1CC1 87690325 574018230 /nfs/dbraw/zinc/01/82/30/574018230.db2.gz ANWGPNDXPOUCKS-LBPRGKRZSA-N 1 0 181.323 3.084 10 0 AGAERO [NH3+][C@H](C1CCCCCCC1)C1CC1 87690326 574018240 /nfs/dbraw/zinc/01/82/40/574018240.db2.gz ANWGPNDXPOUCKS-GFCCVEGCSA-N 1 0 181.323 3.084 10 0 AGAERO CCC(CC)C[C@@H]([NH2+]C)c1ccco1 128091724 574018245 /nfs/dbraw/zinc/01/82/45/574018245.db2.gz TZWDKYQZKJADLY-LLVKDONJSA-N 1 0 195.306 3.366 10 0 AGAERO CC(C)NC(=[NH2+])C1CCCCCCC1 87690687 574018276 /nfs/dbraw/zinc/01/82/76/574018276.db2.gz QSOUPQHRYSYMDC-UHFFFAOYSA-N 1 0 196.338 3.322 10 0 AGAERO CCCNC(=[NH2+])C1CCCCCCC1 87690684 574018310 /nfs/dbraw/zinc/01/83/10/574018310.db2.gz NBZVZROAMSLJJN-UHFFFAOYSA-N 1 0 196.338 3.324 10 0 AGAERO CC[C@H]1C[C@]1([NH3+])C1CCCCCCC1 87690642 574018318 /nfs/dbraw/zinc/01/83/18/574018318.db2.gz HZOMNBOGTJFAMO-WCQYABFASA-N 1 0 195.350 3.474 10 0 AGAERO [NH2+]=C(NC1CC1)C1CCCCCCC1 87690690 574018340 /nfs/dbraw/zinc/01/83/40/574018340.db2.gz OKULGNCYQHGQCD-UHFFFAOYSA-N 1 0 194.322 3.076 10 0 AGAERO Cc1cccc([C@H]([NH3+])C(C)C)c1Cl 104515677 574021668 /nfs/dbraw/zinc/02/16/68/574021668.db2.gz YSHYCYWMXQVKPT-LLVKDONJSA-N 1 0 197.709 3.304 10 0 AGAERO CC(C)c1ccc2c(c1)CCC[C@H]2[NH3+] 104515145 574022239 /nfs/dbraw/zinc/02/22/39/574022239.db2.gz RRTSLBPKEZOCDJ-CYBMUJFWSA-N 1 0 189.302 3.146 10 0 AGAERO Cc1cccc([C@H]([NH3+])C2CC2)c1Cl 104512924 574022255 /nfs/dbraw/zinc/02/22/55/574022255.db2.gz ZCKUUKKXVGFSAR-LLVKDONJSA-N 1 0 195.693 3.058 10 0 AGAERO C[NH2+][C@@H](C(C)C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 221197138 574022338 /nfs/dbraw/zinc/02/23/38/574022338.db2.gz CTWCSCOQMPRCHP-XQHKEYJVSA-N 1 0 197.366 3.303 10 0 AGAERO C[NH2+][C@@H](C(C)C)[C@H]1CC[C@@H](C)[C@@H](C)C1 221197207 574022484 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574038675 /nfs/dbraw/zinc/03/86/75/574038675.db2.gz SLDKGSFPTNTEAK-UHFFFAOYSA-N 1 0 197.328 3.072 10 0 AGAERO CCCC1([C@H]2[NH2+]C[C@]2(C)CC)CCC1 686133948 574038748 /nfs/dbraw/zinc/03/87/48/574038748.db2.gz SCWPGYZJPMUOFX-RYUDHWBXSA-N 1 0 195.350 3.345 10 0 AGAERO CC1(C)C[C@@]1(C)C[NH2+][C@]1(C)CC1(C)C 716984528 574038752 /nfs/dbraw/zinc/03/87/52/574038752.db2.gz HFMGDSAWUCQTAX-QWHCGFSZSA-N 1 0 195.350 3.201 10 0 AGAERO CCCC1([C@H]2[NH2+]C[C@@]2(C)CC)CCC1 686133945 574039114 /nfs/dbraw/zinc/03/91/14/574039114.db2.gz SCWPGYZJPMUOFX-NWDGAFQWSA-N 1 0 195.350 3.345 10 0 AGAERO C[C@@H]1CC[NH2+][C@H](C2CCCCC2)S1 85342673 574042013 /nfs/dbraw/zinc/04/20/13/574042013.db2.gz FYQBVUPWCKSEJQ-KOLCDFICSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@H]1CC[NH2+][C@@H](C2CCCCC2)S1 85342678 574042209 /nfs/dbraw/zinc/04/22/09/574042209.db2.gz FYQBVUPWCKSEJQ-GXSJLCMTSA-N 1 0 199.363 3.008 10 0 AGAERO CCCCC[C@H](C)N1CCCCC1=[NH2+] 49584288 574043291 /nfs/dbraw/zinc/04/32/91/574043291.db2.gz 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QRPHXILBDLOWKU-JTQLQIEISA-N 1 0 183.682 3.058 10 0 AGAERO C[NH+](C)C1CCC(C(C)(C)C)CC1 107082153 1169141097 /nfs/dbraw/zinc/14/10/97/1169141097.db2.gz DTFQGYQYVSRQIS-UHFFFAOYSA-N 1 0 183.339 3.153 10 0 AGAERO C[NH2+]Cc1cccc(C2CCCC2)c1 107174935 1169144453 /nfs/dbraw/zinc/14/44/53/1169144453.db2.gz JOSQPDNFLFTOIY-UHFFFAOYSA-N 1 0 189.302 3.064 10 0 AGAERO FCCCC[NH+]1CCCCCCC1 308155427 673926741 /nfs/dbraw/zinc/92/67/41/673926741.db2.gz AMDQBPPEINGSLU-UHFFFAOYSA-N 1 0 187.302 3.002 10 0 AGAERO CCC(CC)[N@H+](C)CCC(C)C 113246577 1169147909 /nfs/dbraw/zinc/14/79/09/1169147909.db2.gz TVNQNYSRESIZBO-UHFFFAOYSA-N 1 0 171.328 3.153 10 0 AGAERO C1=CCC([NH2+][C@H]2CCCC3(CC3)C2)C1 723560030 673929156 /nfs/dbraw/zinc/92/91/56/673929156.db2.gz OSQGOEWDURTFLF-LBPRGKRZSA-N 1 0 191.318 3.017 10 0 AGAERO C1=CCC([NH2+][C@@H]2CCCC3(CC3)C2)C1 723560029 673929292 /nfs/dbraw/zinc/92/92/92/673929292.db2.gz OSQGOEWDURTFLF-GFCCVEGCSA-N 1 0 191.318 3.017 10 0 AGAERO C[C@@H](F)CC[NH2+][C@H]1CCCC2(CC2)C1 723575171 673929688 /nfs/dbraw/zinc/92/96/88/673929688.db2.gz FHVOCVGCCUBNLZ-MNOVXSKESA-N 1 0 199.313 3.047 10 0 AGAERO C1=C[C@H]([NH2+][C@H]2CCCC3(CC3)C2)CC1 723561561 673929697 /nfs/dbraw/zinc/92/96/97/673929697.db2.gz GEGNWCWPAJDAFS-RYUDHWBXSA-N 1 0 191.318 3.017 10 0 AGAERO C[C@@H](F)CC[NH2+][C@@H]1CCCC2(CC2)C1 723575170 673929718 /nfs/dbraw/zinc/92/97/18/673929718.db2.gz FHVOCVGCCUBNLZ-GHMZBOCLSA-N 1 0 199.313 3.047 10 0 AGAERO C[C@H](F)CC[NH2+][C@H]1CCCC2(CC2)C1 723575172 673929721 /nfs/dbraw/zinc/92/97/21/673929721.db2.gz FHVOCVGCCUBNLZ-QWRGUYRKSA-N 1 0 199.313 3.047 10 0 AGAERO C1=C[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)CC1 723561558 673929789 /nfs/dbraw/zinc/92/97/89/673929789.db2.gz GEGNWCWPAJDAFS-NWDGAFQWSA-N 1 0 191.318 3.017 10 0 AGAERO C[C@H](F)CC[NH2+][C@@H]1CCCC2(CC2)C1 723575173 673929841 /nfs/dbraw/zinc/92/98/41/673929841.db2.gz FHVOCVGCCUBNLZ-WDEREUQCSA-N 1 0 199.313 3.047 10 0 AGAERO C1=C[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)CC1 723561556 673929938 /nfs/dbraw/zinc/92/99/38/673929938.db2.gz GEGNWCWPAJDAFS-NEPJUHHUSA-N 1 0 191.318 3.017 10 0 AGAERO C1=C[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)CC1 723561563 673929958 /nfs/dbraw/zinc/92/99/58/673929958.db2.gz GEGNWCWPAJDAFS-VXGBXAGGSA-N 1 0 191.318 3.017 10 0 AGAERO CC[C@@H]([NH2+]CCC1CC=CC1)C1CC1 724188199 673934377 /nfs/dbraw/zinc/93/43/77/673934377.db2.gz XOKLBUKSWVMMIK-CYBMUJFWSA-N 1 0 193.334 3.121 10 0 AGAERO CC[NH+](CC)C1CCCCCCC1 114218932 1169151370 /nfs/dbraw/zinc/15/13/70/1169151370.db2.gz SVCZQFNJMKAWAD-UHFFFAOYSA-N 1 0 183.339 3.441 10 0 AGAERO C[C@H](CC1CC1)[NH2+]CCC1CC=CC1 724184502 673934533 /nfs/dbraw/zinc/93/45/33/673934533.db2.gz JNLFVEXMXGVEQA-LLVKDONJSA-N 1 0 193.334 3.121 10 0 AGAERO C[C@H]([NH2+]CCC1CC=CC1)C1CCC1 724188602 673934732 /nfs/dbraw/zinc/93/47/32/673934732.db2.gz ZIXMPGGNRHCBRH-NSHDSACASA-N 1 0 193.334 3.121 10 0 AGAERO C[C@@H](CC1CC1)[NH2+]CCC1CC=CC1 724184503 673934801 /nfs/dbraw/zinc/93/48/01/673934801.db2.gz JNLFVEXMXGVEQA-NSHDSACASA-N 1 0 193.334 3.121 10 0 AGAERO CC[C@H]([NH2+]CCC1CC=CC1)C1CC1 724188200 673934880 /nfs/dbraw/zinc/93/48/80/673934880.db2.gz XOKLBUKSWVMMIK-ZDUSSCGKSA-N 1 0 193.334 3.121 10 0 AGAERO C[C@@H]([NH2+]CCC1CC=CC1)C1CCC1 724188601 673935120 /nfs/dbraw/zinc/93/51/20/673935120.db2.gz ZIXMPGGNRHCBRH-LLVKDONJSA-N 1 0 193.334 3.121 10 0 AGAERO CC(C)=CCC[NH2+]C1(C2CC2)CCC1 717819398 673938492 /nfs/dbraw/zinc/93/84/92/673938492.db2.gz JDLGBXFCGVIYEV-UHFFFAOYSA-N 1 0 193.334 3.265 10 0 AGAERO C[N@@H+](C1CCCCCCC1)C1CC1 116838917 1169158599 /nfs/dbraw/zinc/15/85/99/1169158599.db2.gz PKRXMPVJDSZKSX-UHFFFAOYSA-N 1 0 181.323 3.194 10 0 AGAERO CC(C)(F)C[NH2+][C@H]1CCCC2(CC2)C1 725610551 673941683 /nfs/dbraw/zinc/94/16/83/673941683.db2.gz NWVGEKZBJYPUFY-JTQLQIEISA-N 1 0 199.313 3.047 10 0 AGAERO CCCCC[NH2+]CCCC(F)(F)F 123551622 1169166190 /nfs/dbraw/zinc/16/61/90/1169166190.db2.gz PUBMXPVLVIXVHR-UHFFFAOYSA-N 1 0 197.244 3.109 10 0 AGAERO CCC[C@H](C)C[NH2+]CCC1CCC1 162706603 673947351 /nfs/dbraw/zinc/94/73/51/673947351.db2.gz JVPKJTZKUCYLFY-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CCC(C)(C)[NH2+]CCCC(F)(F)F 123550032 1169167217 /nfs/dbraw/zinc/16/72/17/1169167217.db2.gz HZVHZVKNJDSZNP-UHFFFAOYSA-N 1 0 197.244 3.107 10 0 AGAERO CC(C)[NH2+]Cc1cccc(C(F)F)c1 124733801 1169171527 /nfs/dbraw/zinc/17/15/27/1169171527.db2.gz GDQGHZXBAAAVOH-UHFFFAOYSA-N 1 0 199.244 3.122 10 0 AGAERO CC(C)[NH2+]C(C)(C)c1ccc(F)cc1 125499787 1169173497 /nfs/dbraw/zinc/17/34/97/1169173497.db2.gz ZPSRTPRCEYYEQZ-UHFFFAOYSA-N 1 0 195.281 3.059 10 0 AGAERO CC1(C)CC[C@@H](NC(=[NH2+])C(C)(C)C)C1 128023048 1169179222 /nfs/dbraw/zinc/17/92/22/1169179222.db2.gz ZFIQWMPMJYQMTP-SECBINFHSA-N 1 0 196.338 3.178 10 0 AGAERO CC1(C)CC[C@H](NC(=[NH2+])C(C)(C)C)C1 128022832 1169179651 /nfs/dbraw/zinc/17/96/51/1169179651.db2.gz ZFIQWMPMJYQMTP-VIFPVBQESA-N 1 0 196.338 3.178 10 0 AGAERO CCCCCC[N@@H+]1C[C@@H](C)C[C@@H]1C 144572725 673959292 /nfs/dbraw/zinc/95/92/92/673959292.db2.gz FNCBWLZGETVZCP-RYUDHWBXSA-N 1 0 183.339 3.297 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2C=CCCC2)C1 130723100 1169180890 /nfs/dbraw/zinc/18/08/90/1169180890.db2.gz GUCJJZOFOYXAIE-AGIUHOORSA-N 1 0 193.334 3.263 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH2+][C@H]2C=CCCC2)C1 130723506 1169181265 /nfs/dbraw/zinc/18/12/65/1169181265.db2.gz GUCJJZOFOYXAIE-FRRDWIJNSA-N 1 0 193.334 3.263 10 0 AGAERO CC[C@H]1CC[C@@H]([NH2+]CCC2CCC2)C1 130346845 1169182634 /nfs/dbraw/zinc/18/26/34/1169182634.db2.gz PZAQRLHWHZXMEQ-WCQYABFASA-N 1 0 195.350 3.345 10 0 AGAERO CC1(C)CC[C@@H](Nc2cc[nH+]cc2)C1 129685969 1169183456 /nfs/dbraw/zinc/18/34/56/1169183456.db2.gz VRNCVBIHOXBXRS-LLVKDONJSA-N 1 0 190.290 3.072 10 0 AGAERO CC1(C)CC[C@H](Nc2cc[nH+]cc2)C1 129685762 1169183718 /nfs/dbraw/zinc/18/37/18/1169183718.db2.gz VRNCVBIHOXBXRS-NSHDSACASA-N 1 0 190.290 3.072 10 0 AGAERO CC(C)(C)C[NH2+][C@H]1CC[C@@H]1C1CCC1 379665601 673962698 /nfs/dbraw/zinc/96/26/98/673962698.db2.gz WFFVWKBBXPGYRT-NEPJUHHUSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H]1CCC[C@H]([NH2+]C2CC=CC2)CC1 132558881 1169185598 /nfs/dbraw/zinc/18/55/98/1169185598.db2.gz JXIYGVYFXLHSRC-YPMHNXCESA-N 1 0 193.334 3.263 10 0 AGAERO CC(C)[NH2+]C(C)(C)c1cccc(F)c1 132386762 1169186029 /nfs/dbraw/zinc/18/60/29/1169186029.db2.gz NNOZJAIEGBRBQI-UHFFFAOYSA-N 1 0 195.281 3.059 10 0 AGAERO C[C@@H]1CCC[C@@H]([NH2+]C2CC=CC2)CC1 132559261 1169186253 /nfs/dbraw/zinc/18/62/53/1169186253.db2.gz JXIYGVYFXLHSRC-DGCLKSJQSA-N 1 0 193.334 3.263 10 0 AGAERO CCC(CC)[NH2+][C@@H](C)C(C)(C)C 133354264 1169186629 /nfs/dbraw/zinc/18/66/29/1169186629.db2.gz VQIUCQCPHNKKKE-VIFPVBQESA-N 1 0 171.328 3.199 10 0 AGAERO C[C@H]1CCC[C@H]([NH2+]C2CC=CC2)CC1 132559068 1169186777 /nfs/dbraw/zinc/18/67/77/1169186777.db2.gz JXIYGVYFXLHSRC-AAEUAGOBSA-N 1 0 193.334 3.263 10 0 AGAERO C[C@H]1CCC[C@@H]([NH2+]C2CC=CC2)CC1 132559455 1169187104 /nfs/dbraw/zinc/18/71/04/1169187104.db2.gz JXIYGVYFXLHSRC-WCQYABFASA-N 1 0 193.334 3.263 10 0 AGAERO C[C@@H]1C[C@H]1C[NH2+]C1CCCCCCC1 132779460 1169187113 /nfs/dbraw/zinc/18/71/13/1169187113.db2.gz QZHGSFJENCKXBJ-NEPJUHHUSA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)[NH2+]CC1(C)CCCCCC1 133656556 1169188096 /nfs/dbraw/zinc/18/80/96/1169188096.db2.gz WLQAKXGXFTXFQD-UHFFFAOYSA-N 1 0 183.339 3.345 10 0 AGAERO CC(C)CCCC[NH2+][C@@H](C)C(F)F 228518803 673970518 /nfs/dbraw/zinc/97/05/18/673970518.db2.gz FKIVAPCKAZVMJD-VIFPVBQESA-N 1 0 193.281 3.056 10 0 AGAERO CC(C)CCCC[NH2+][C@H](C)C(F)F 228518809 673970532 /nfs/dbraw/zinc/97/05/32/673970532.db2.gz FKIVAPCKAZVMJD-SECBINFHSA-N 1 0 193.281 3.056 10 0 AGAERO CCCCC[C@H](C)[NH+](CC)CC 137216884 1169193195 /nfs/dbraw/zinc/19/31/95/1169193195.db2.gz OJRWQFMJFFCMNV-NSHDSACASA-N 1 0 171.328 3.297 10 0 AGAERO CC(C)CCC[NH2+][C@@H](C)C1(C)CC1 38093565 673973951 /nfs/dbraw/zinc/97/39/51/673973951.db2.gz NTDJHSGKFIPQQX-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO CCCCC[C@@H](C)[NH+](CC)CC 137216845 1169195367 /nfs/dbraw/zinc/19/53/67/1169195367.db2.gz OJRWQFMJFFCMNV-LLVKDONJSA-N 1 0 171.328 3.297 10 0 AGAERO CCCCC[C@H]1CCCC[N@@H+]1CC 140739214 1169199040 /nfs/dbraw/zinc/19/90/40/1169199040.db2.gz OGHRIHSJXCGTKE-LBPRGKRZSA-N 1 0 183.339 3.441 10 0 AGAERO CCCCC[C@@H]1CCCC[N@@H+]1CC 140739050 1169201093 /nfs/dbraw/zinc/20/10/93/1169201093.db2.gz OGHRIHSJXCGTKE-GFCCVEGCSA-N 1 0 183.339 3.441 10 0 AGAERO CCCCCC[C@@H](C)[NH+]1CCCC1 141190383 1169205236 /nfs/dbraw/zinc/20/52/36/1169205236.db2.gz DSLWJIYRDPATDD-GFCCVEGCSA-N 1 0 183.339 3.441 10 0 AGAERO Cc1cc(Nc2ccccc2)cc[nH+]1 142426396 1169205621 /nfs/dbraw/zinc/20/56/21/1169205621.db2.gz UXRQBUCXOXQYDV-UHFFFAOYSA-N 1 0 184.242 3.134 10 0 AGAERO CCC[C@@H](C)[N@H+](C)C(CC)CC 141752823 1169207939 /nfs/dbraw/zinc/20/79/39/1169207939.db2.gz NUDBLXKNGRTMQF-SNVBAGLBSA-N 1 0 171.328 3.295 10 0 AGAERO C1CC(CC[NH2+][C@@H]2CCCC23CC3)C1 706593084 673988026 /nfs/dbraw/zinc/98/80/26/673988026.db2.gz CAVSDMCHEJVCBB-GFCCVEGCSA-N 1 0 193.334 3.099 10 0 AGAERO C1CCCC([NH+]2CCCC2)CCC1 141864161 1169208240 /nfs/dbraw/zinc/20/82/40/1169208240.db2.gz BSSACIAVNSQTOE-UHFFFAOYSA-N 1 0 181.323 3.195 10 0 AGAERO CCCCCC[NH2+][C@@H]1CCCC12CC2 706604136 673988102 /nfs/dbraw/zinc/98/81/02/673988102.db2.gz ZBOILIIUHBTNLV-GFCCVEGCSA-N 1 0 195.350 3.489 10 0 AGAERO CCC[C@H](C)[N@H+](C)C(CC)CC 141753028 1169208403 /nfs/dbraw/zinc/20/84/03/1169208403.db2.gz NUDBLXKNGRTMQF-JTQLQIEISA-N 1 0 171.328 3.295 10 0 AGAERO CCCCCC[NH2+][C@H]1CCCC12CC2 706604139 673988461 /nfs/dbraw/zinc/98/84/61/673988461.db2.gz ZBOILIIUHBTNLV-LBPRGKRZSA-N 1 0 195.350 3.489 10 0 AGAERO C1CC(CC[NH2+][C@H]2CCCC23CC3)C1 706593085 673988644 /nfs/dbraw/zinc/98/86/44/673988644.db2.gz CAVSDMCHEJVCBB-LBPRGKRZSA-N 1 0 193.334 3.099 10 0 AGAERO CC[C@H]([NH2+][C@H](C)C1(C)CC1)[C@H]1C[C@H]1C 706936085 673989010 /nfs/dbraw/zinc/98/90/10/673989010.db2.gz NQDRAJUKQGKDFG-WYUUTHIRSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@@H]1CC[C@H]1[NH2+]CC[C@H]1CC=CCC1 706901414 673989091 /nfs/dbraw/zinc/98/90/91/673989091.db2.gz CEXPMTOKCPBXGT-FRRDWIJNSA-N 1 0 193.334 3.121 10 0 AGAERO CC[C@H]([NH2+][C@H](C)C1(C)CC1)[C@@H]1C[C@H]1C 706936079 673989319 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10 0 AGAERO CC1CC([NH2+][C@@H]2CCCC3(CC3)C2)C1 709965741 673995590 /nfs/dbraw/zinc/99/55/90/673995590.db2.gz HCSBBAFPFOCADW-MOENNCHZSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@@H]([NH2+]CC1CCC=CCC1)C1CC1 922966097 673998920 /nfs/dbraw/zinc/99/89/20/673998920.db2.gz FQUOOJMWROVDCI-LLVKDONJSA-N 1 0 193.334 3.121 10 0 AGAERO C[C@H]([NH2+]CC1CCC=CCC1)C1CC1 922966098 673998947 /nfs/dbraw/zinc/99/89/47/673998947.db2.gz FQUOOJMWROVDCI-NSHDSACASA-N 1 0 193.334 3.121 10 0 AGAERO CCCCCC[NH+]1C[C@@H](C)[C@H](C)C1 144572503 1169220476 /nfs/dbraw/zinc/22/04/76/1169220476.db2.gz RWXHPCMPNJGOTI-VXGBXAGGSA-N 1 0 183.339 3.155 10 0 AGAERO CCCCCC[NH+]1[C@@H](C)CC[C@@H]1C 144573121 1169220540 /nfs/dbraw/zinc/22/05/40/1169220540.db2.gz XRRYERQJROMTHL-RYUDHWBXSA-N 1 0 183.339 3.440 10 0 AGAERO CCCCCC[N@@H+]1[C@@H](C)CC[C@H]1C 144573288 1169221120 /nfs/dbraw/zinc/22/11/20/1169221120.db2.gz XRRYERQJROMTHL-TXEJJXNPSA-N 1 0 183.339 3.440 10 0 AGAERO CC[C@H](c1ccccc1)[N@H+](C)CC 144405329 1169221826 /nfs/dbraw/zinc/22/18/26/1169221826.db2.gz WFQIIEYATFJNOI-GFCCVEGCSA-N 1 0 177.291 3.089 10 0 AGAERO CC[C@@H](c1ccccc1)[N@H+](C)CC 144405535 1169221934 /nfs/dbraw/zinc/22/19/34/1169221934.db2.gz WFQIIEYATFJNOI-LBPRGKRZSA-N 1 0 177.291 3.089 10 0 AGAERO CCCCCC[NH+]1[C@H](C)CC[C@H]1C 144573461 1169222356 /nfs/dbraw/zinc/22/23/56/1169222356.db2.gz XRRYERQJROMTHL-VXGBXAGGSA-N 1 0 183.339 3.440 10 0 AGAERO CCCCCC[NH+]1C[C@H](C)[C@@H](C)C1 144572308 1169222613 /nfs/dbraw/zinc/22/26/13/1169222613.db2.gz RWXHPCMPNJGOTI-RYUDHWBXSA-N 1 0 183.339 3.155 10 0 AGAERO CCCCCC[N@H+]1C[C@@H](C)[C@@H](C)C1 144572102 1169222849 /nfs/dbraw/zinc/22/28/49/1169222849.db2.gz RWXHPCMPNJGOTI-TXEJJXNPSA-N 1 0 183.339 3.155 10 0 AGAERO CC(C)[NH2+]C(C)(C)C1CCCCC1 145256193 1169224025 /nfs/dbraw/zinc/22/40/25/1169224025.db2.gz HVESKUAUXLKAKK-UHFFFAOYSA-N 1 0 183.339 3.343 10 0 AGAERO CC[C@@H](C)C[C@@H](CC)[NH+]1CCCC1 145901449 1169229333 /nfs/dbraw/zinc/22/93/33/1169229333.db2.gz NOJUIGIXHDVCKZ-VXGBXAGGSA-N 1 0 183.339 3.297 10 0 AGAERO CC[C@H](C)C[C@@H](CC)[NH+]1CCCC1 145901675 1169229370 /nfs/dbraw/zinc/22/93/70/1169229370.db2.gz NOJUIGIXHDVCKZ-NWDGAFQWSA-N 1 0 183.339 3.297 10 0 AGAERO CC[C@H](C)C[C@H](CC)[NH+]1CCCC1 145902059 1169229845 /nfs/dbraw/zinc/22/98/45/1169229845.db2.gz NOJUIGIXHDVCKZ-RYUDHWBXSA-N 1 0 183.339 3.297 10 0 AGAERO CC[C@@H](C[C@H](C)CC)[NH+]1CCCC1 145901870 1169229856 /nfs/dbraw/zinc/22/98/56/1169229856.db2.gz NOJUIGIXHDVCKZ-NEPJUHHUSA-N 1 0 183.339 3.297 10 0 AGAERO CCC1CC[NH+](CC(C)(C)C)CC1 145935537 1169229978 /nfs/dbraw/zinc/22/99/78/1169229978.db2.gz UBFASEGSUSWZLK-UHFFFAOYSA-N 1 0 183.339 3.155 10 0 AGAERO C=C/C=C\CC[NH2+][C@@H]1CCCC12CC2 713751911 674015951 /nfs/dbraw/zinc/01/59/51/674015951.db2.gz YWPGRRLQXVXQNH-VSQXVHSFSA-N 1 0 191.318 3.041 10 0 AGAERO CCC[NH+]([C@@H](C)CC)[C@@H](C)CC 146993483 1169232623 /nfs/dbraw/zinc/23/26/23/1169232623.db2.gz MXSZFEIZRQDYQR-QWRGUYRKSA-N 1 0 171.328 3.295 10 0 AGAERO CCC[N@H+]([C@@H](C)CC)[C@H](C)CC 146993674 1169232761 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AGAERO C=C/C=C/CC[NH2+][C@H]1CCCC12CC2 713751909 674016172 /nfs/dbraw/zinc/01/61/72/674016172.db2.gz YWPGRRLQXVXQNH-PCAWENJQSA-N 1 0 191.318 3.041 10 0 AGAERO CCCCC[N@H+](CC)[C@@H](C)CC 147141950 1169234786 /nfs/dbraw/zinc/23/47/86/1169234786.db2.gz PMLOLGLZRSWIJV-NSHDSACASA-N 1 0 171.328 3.297 10 0 AGAERO CC(C)[N@@H+]1CCCC2(CCCC2)CC1 147494404 1169236326 /nfs/dbraw/zinc/23/63/26/1169236326.db2.gz SGBXCKPNXNBIAK-UHFFFAOYSA-N 1 0 195.350 3.441 10 0 AGAERO CC[C@H](C)C[NH2+]CCCCC(C)C 147391643 1169236946 /nfs/dbraw/zinc/23/69/46/1169236946.db2.gz SNTXGWZFNJPVOP-LBPRGKRZSA-N 1 0 185.355 3.448 10 0 AGAERO CC[C@@H](C)C[NH2+]CCCCC(C)C 147391420 1169237311 /nfs/dbraw/zinc/23/73/11/1169237311.db2.gz SNTXGWZFNJPVOP-GFCCVEGCSA-N 1 0 185.355 3.448 10 0 AGAERO CCCCC[C@H](C)[NH2+][C@@H]1CC12CC2 715330078 674022487 /nfs/dbraw/zinc/02/24/87/674022487.db2.gz QJHXVECHUFWCHT-WDEREUQCSA-N 1 0 181.323 3.097 10 0 AGAERO CC(C)=CCC[C@H](C)[NH+]1CCCC1 147965265 1169240847 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CCCCCC[C@H](C)[NH2+][C@@H]1CC12CC2 715353961 674022198 /nfs/dbraw/zinc/02/21/98/674022198.db2.gz FNTWHHIZEAJZOU-NWDGAFQWSA-N 1 0 195.350 3.487 10 0 AGAERO CCCCCC[C@@H](C)[NH2+][C@@H]1CC12CC2 715353966 674022226 /nfs/dbraw/zinc/02/22/26/674022226.db2.gz FNTWHHIZEAJZOU-VXGBXAGGSA-N 1 0 195.350 3.487 10 0 AGAERO C[C@@H]([NH2+]CC1CCCCC1)C1(C)CC1 37259261 674024943 /nfs/dbraw/zinc/02/49/43/674024943.db2.gz WMSCMDQHTTXNGG-LLVKDONJSA-N 1 0 195.350 3.345 10 0 AGAERO CCCCCC[C@H](C)[NH2+][C@H]1CC12CC2 715353964 674022400 /nfs/dbraw/zinc/02/24/00/674022400.db2.gz FNTWHHIZEAJZOU-RYUDHWBXSA-N 1 0 195.350 3.487 10 0 AGAERO CCCCCC[C@@H](C)[NH2+][C@H]1CC12CC2 715353960 674022416 /nfs/dbraw/zinc/02/24/16/674022416.db2.gz FNTWHHIZEAJZOU-NEPJUHHUSA-N 1 0 195.350 3.487 10 0 AGAERO CCCCC[C@H](C)[NH2+][C@H]1CC12CC2 715330073 674022432 /nfs/dbraw/zinc/02/24/32/674022432.db2.gz QJHXVECHUFWCHT-QWRGUYRKSA-N 1 0 181.323 3.097 10 0 AGAERO C1CCCC([NH2+][C@@H]2CC23CC3)CCC1 715345604 674022504 /nfs/dbraw/zinc/02/25/04/674022504.db2.gz VASAQSZNNNVNMP-GFCCVEGCSA-N 1 0 193.334 3.241 10 0 AGAERO CCCCC[C@@H](C)[NH2+][C@H]1CC12CC2 715330069 674022523 /nfs/dbraw/zinc/02/25/23/674022523.db2.gz QJHXVECHUFWCHT-MNOVXSKESA-N 1 0 181.323 3.097 10 0 AGAERO CC(C)=CCC[C@@H](C)[NH+]1CCCC1 147965484 1169242190 /nfs/dbraw/zinc/24/21/90/1169242190.db2.gz IZQFJDVUSINQKY-GFCCVEGCSA-N 1 0 181.323 3.217 10 0 AGAERO C[C@H]([NH2+]CC1CCCCC1)C1(C)CC1 37259259 674024620 /nfs/dbraw/zinc/02/46/20/674024620.db2.gz WMSCMDQHTTXNGG-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)(C)C[NH+]1CCC(C)(C)CC1 148624852 1169243241 /nfs/dbraw/zinc/24/32/41/1169243241.db2.gz KXTSYOYALZHFMO-UHFFFAOYSA-N 1 0 183.339 3.155 10 0 AGAERO CC[C@H](C)[NH+]1C2CCCC1CCC2 148308824 1169243579 /nfs/dbraw/zinc/24/35/79/1169243579.db2.gz HCYMUCXUFGJGFF-UNXYVOJBSA-N 1 0 181.323 3.192 10 0 AGAERO CC[C@@H](C)[NH+]1C2CCCC1CCC2 148308625 1169244483 /nfs/dbraw/zinc/24/44/83/1169244483.db2.gz HCYMUCXUFGJGFF-VOMCLLRMSA-N 1 0 181.323 3.192 10 0 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CC(C)=CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C 300396167 1169460926 /nfs/dbraw/zinc/46/09/26/1169460926.db2.gz APHOQEULOIBPSX-YNEHKIRRSA-N 1 0 195.350 3.367 10 0 AGAERO CC(C)=CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 300396166 1169461583 /nfs/dbraw/zinc/46/15/83/1169461583.db2.gz APHOQEULOIBPSX-JHJVBQTASA-N 1 0 195.350 3.367 10 0 AGAERO CCC[N@H+](C)[C@H]1CCCC(C)(C)C1 306150354 1169463244 /nfs/dbraw/zinc/46/32/44/1169463244.db2.gz FUMVMKMZKQYOLL-NSHDSACASA-N 1 0 183.339 3.297 10 0 AGAERO CCC[N@H+](C)[C@@H]1CCCC(C)(C)C1 306150352 1169463641 /nfs/dbraw/zinc/46/36/41/1169463641.db2.gz FUMVMKMZKQYOLL-LLVKDONJSA-N 1 0 183.339 3.297 10 0 AGAERO C[C@H]1CC[C@@H]1[NH2+]C1CCCCCCC1 306179821 1169465192 /nfs/dbraw/zinc/46/51/92/1169465192.db2.gz IOSAJNXBWSCLNR-AAEUAGOBSA-N 1 0 195.350 3.487 10 0 AGAERO C[C@@H]1CC[C@@H]1[NH2+]C1CCCCCCC1 306179825 1169465374 /nfs/dbraw/zinc/46/53/74/1169465374.db2.gz IOSAJNXBWSCLNR-YPMHNXCESA-N 1 0 195.350 3.487 10 0 AGAERO Cc1cc(NCC(C)(C)C)cc(C)[nH+]1 306177499 1169465451 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CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1C[C@H]1C 382348295 1169601997 /nfs/dbraw/zinc/60/19/97/1169601997.db2.gz FYMYFUZMKISBNO-DDHJBXDOSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@@H](C[C@H](C)CC)[NH2+][C@@H]1C[C@H]1C 382348299 1169602976 /nfs/dbraw/zinc/60/29/76/1169602976.db2.gz FYMYFUZMKISBNO-WISYIIOYSA-N 1 0 183.339 3.199 10 0 AGAERO CC/C=C\C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 384763660 1169607177 /nfs/dbraw/zinc/60/71/77/1169607177.db2.gz QNMRBMMUGYDPRM-QUFGHOJKSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C/C[NH2+]CC1(C)CCCC1 384891454 1169607267 /nfs/dbraw/zinc/60/72/67/1169607267.db2.gz LARKSTJQYFZVAQ-QPJJXVBHSA-N 1 0 181.323 3.123 10 0 AGAERO CC/C=C\C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 384735991 1169607295 /nfs/dbraw/zinc/60/72/95/1169607295.db2.gz KVKCJPGNDURVCT-MKVKLZLISA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C/C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C 384732977 1169607299 /nfs/dbraw/zinc/60/72/99/1169607299.db2.gz KCNNIJKCSATGGN-NEFWEQRUSA-N 1 0 195.350 3.367 10 0 AGAERO CC(C)CC[NH2+]CC(C)(C)C1CCC1 384864172 1169607306 /nfs/dbraw/zinc/60/73/06/1169607306.db2.gz PBZRURCKYDUBEG-UHFFFAOYSA-N 1 0 197.366 3.448 10 0 AGAERO CC/C=C/C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 384763661 1169607792 /nfs/dbraw/zinc/60/77/92/1169607792.db2.gz QNMRBMMUGYDPRM-XDQHSUTASA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C/C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 384735980 1169607849 /nfs/dbraw/zinc/60/78/49/1169607849.db2.gz KVKCJPGNDURVCT-LXXZJSEWSA-N 1 0 195.350 3.367 10 0 AGAERO CCCC[NH2+]CC(C)(C)C1CCC1 384866129 1169607910 /nfs/dbraw/zinc/60/79/10/1169607910.db2.gz PRUIPOZZFMVOLR-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO CC/C=C/C[NH2+]C[C@@H]1CCC[C@H](C)C1 384900342 1169607922 /nfs/dbraw/zinc/60/79/22/1169607922.db2.gz NREHVUWDLUYEDR-QITAHTHBSA-N 1 0 195.350 3.369 10 0 AGAERO CC/C=C\C[NH2+]CC(C(C)C)C(C)C 384704044 1169608124 /nfs/dbraw/zinc/60/81/24/1169608124.db2.gz BQQIZAZDQSKWPM-FPLPWBNLSA-N 1 0 197.366 3.470 10 0 AGAERO CC/C=C\C[NH2+]CC1(C)CCCC1 384891453 1169608150 /nfs/dbraw/zinc/60/81/50/1169608150.db2.gz LARKSTJQYFZVAQ-DAXSKMNVSA-N 1 0 181.323 3.123 10 0 AGAERO CC/C=C/C[NH2+][C@@H](C)CC(C)(C)C 384845235 1169608192 /nfs/dbraw/zinc/60/81/92/1169608192.db2.gz BEOPKWAVVMZOEC-AEZGRPFRSA-N 1 0 183.339 3.367 10 0 AGAERO CC/C=C\C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 384735976 1169608256 /nfs/dbraw/zinc/60/82/56/1169608256.db2.gz KVKCJPGNDURVCT-GRCFVLPDSA-N 1 0 195.350 3.367 10 0 AGAERO C[C@@H](CC(C)(C)C)[NH2+]CCC(F)F 384845806 1169608306 /nfs/dbraw/zinc/60/83/06/1169608306.db2.gz DYURVTGHGKRQEO-QMMMGPOBSA-N 1 0 193.281 3.056 10 0 AGAERO CC/C=C\C[NH2+]C[C@@H]1CCC[C@@H](C)C1 384900339 1169608331 /nfs/dbraw/zinc/60/83/31/1169608331.db2.gz NREHVUWDLUYEDR-DIABFLQPSA-N 1 0 195.350 3.369 10 0 AGAERO C[C@H](CC(C)(C)C)[NH2+]CCC(F)F 384845805 1169608343 /nfs/dbraw/zinc/60/83/43/1169608343.db2.gz DYURVTGHGKRQEO-MRVPVSSYSA-N 1 0 193.281 3.056 10 0 AGAERO CC/C=C\C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C 384732976 1169608369 /nfs/dbraw/zinc/60/83/69/1169608369.db2.gz KCNNIJKCSATGGN-MKVKLZLISA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C\C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 384763659 1169608388 /nfs/dbraw/zinc/60/83/88/1169608388.db2.gz QNMRBMMUGYDPRM-BDTQGIJQSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C/C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 384763663 1169608395 /nfs/dbraw/zinc/60/83/95/1169608395.db2.gz QNMRBMMUGYDPRM-ZAGQHCIPSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C/C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 384782625 1169608444 /nfs/dbraw/zinc/60/84/44/1169608444.db2.gz UGQALFLWKRAPNS-LXXZJSEWSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C\C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 384782624 1169608589 /nfs/dbraw/zinc/60/85/89/1169608589.db2.gz UGQALFLWKRAPNS-GRCFVLPDSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C/C[NH2+][C@H](C)CC(C)(C)C 384845238 1169608752 /nfs/dbraw/zinc/60/87/52/1169608752.db2.gz BEOPKWAVVMZOEC-WSKFYRRCSA-N 1 0 183.339 3.367 10 0 AGAERO CC/C=C/C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C 384732975 1169608810 /nfs/dbraw/zinc/60/88/10/1169608810.db2.gz KCNNIJKCSATGGN-LXXZJSEWSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C\C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 384782626 1169608817 /nfs/dbraw/zinc/60/88/17/1169608817.db2.gz UGQALFLWKRAPNS-MKVKLZLISA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C/C[NH2+]CC(C(C)C)C(C)C 384704043 1169608943 /nfs/dbraw/zinc/60/89/43/1169608943.db2.gz BQQIZAZDQSKWPM-BQYQJAHWSA-N 1 0 197.366 3.470 10 0 AGAERO CC/C=C/C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 384782627 1169608996 /nfs/dbraw/zinc/60/89/96/1169608996.db2.gz UGQALFLWKRAPNS-NEFWEQRUSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C\C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C 384732974 1169609058 /nfs/dbraw/zinc/60/90/58/1169609058.db2.gz KCNNIJKCSATGGN-GRCFVLPDSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C/C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 384735994 1169609079 /nfs/dbraw/zinc/60/90/79/1169609079.db2.gz KVKCJPGNDURVCT-NEFWEQRUSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C\C[NH2+][C@@H](C)CC(C)(C)C 384845237 1169609083 /nfs/dbraw/zinc/60/90/83/1169609083.db2.gz BEOPKWAVVMZOEC-TVRMLOFPSA-N 1 0 183.339 3.367 10 0 AGAERO CC/C=C\C[NH2+][C@H](C)CC(C)(C)C 384845236 1169609089 /nfs/dbraw/zinc/60/90/89/1169609089.db2.gz BEOPKWAVVMZOEC-SKVAFPRGSA-N 1 0 183.339 3.367 10 0 AGAERO CC/C=C\C[NH2+]C[C@@H]1CCC[C@H](C)C1 384900341 1169609103 /nfs/dbraw/zinc/60/91/03/1169609103.db2.gz NREHVUWDLUYEDR-OEFFGFFESA-N 1 0 195.350 3.369 10 0 AGAERO CC/C=C/C[NH2+]C[C@@H]1CCC[C@@H](C)C1 384900340 1169609127 /nfs/dbraw/zinc/60/91/27/1169609127.db2.gz NREHVUWDLUYEDR-IJWDBEHRSA-N 1 0 195.350 3.369 10 0 AGAERO CC/C=C/C[NH2+]C[C@@H](C)C(C)(C)C 385152868 1169609568 /nfs/dbraw/zinc/60/95/68/1169609568.db2.gz KIYZZZJWLRHQLQ-WSKFYRRCSA-N 1 0 183.339 3.224 10 0 AGAERO CC(C)C[C@@H]1C[C@H]1[NH2+]CC1(C)CCC1 385140961 1169609748 /nfs/dbraw/zinc/60/97/48/1169609748.db2.gz HMXZDKUCGJDCTR-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO CC/C=C\C[NH2+]C[C@H](C)C(C)(C)C 385152867 1169610051 /nfs/dbraw/zinc/61/00/51/1169610051.db2.gz KIYZZZJWLRHQLQ-TVRMLOFPSA-N 1 0 183.339 3.224 10 0 AGAERO CC/C=C/C[NH2+][C@@H](C)CCC(C)C 385109511 1169610106 /nfs/dbraw/zinc/61/01/06/1169610106.db2.gz CQUTWHCOPYYTEK-SYTKJHMZSA-N 1 0 183.339 3.367 10 0 AGAERO CC(C)C[C@@H]1C[C@H]1[NH2+]C1CCCCC1 385573268 1169610125 /nfs/dbraw/zinc/61/01/25/1169610125.db2.gz AEIADXRIQYUSMA-DGCLKSJQSA-N 1 0 195.350 3.343 10 0 AGAERO CC/C=C/C[NH2+]C[C@H](C)CC(C)C 385189198 1169610356 /nfs/dbraw/zinc/61/03/56/1169610356.db2.gz OGKZMTKSOBBNOA-NNNHXZLVSA-N 1 0 183.339 3.224 10 0 AGAERO CC/C=C\C[NH2+]C[C@@H](C)C(C)(C)C 385152866 1169610435 /nfs/dbraw/zinc/61/04/35/1169610435.db2.gz KIYZZZJWLRHQLQ-SKVAFPRGSA-N 1 0 183.339 3.224 10 0 AGAERO CC/C=C/C[NH2+]C[C@H](C)C(C)(C)C 385152864 1169610906 /nfs/dbraw/zinc/61/09/06/1169610906.db2.gz KIYZZZJWLRHQLQ-AEZGRPFRSA-N 1 0 183.339 3.224 10 0 AGAERO CC/C=C/C[NH2+][C@H](C)CCC(C)C 385109510 1169611240 /nfs/dbraw/zinc/61/12/40/1169611240.db2.gz CQUTWHCOPYYTEK-NNNHXZLVSA-N 1 0 183.339 3.367 10 0 AGAERO CC/C=C\C[NH2+]C[C@@H](C)CC(C)C 385189195 1169611437 /nfs/dbraw/zinc/61/14/37/1169611437.db2.gz OGKZMTKSOBBNOA-DGMVEKRQSA-N 1 0 183.339 3.224 10 0 AGAERO CC/C=C\C[NH2+][C@@H](C)CCC(C)C 385109509 1169611834 /nfs/dbraw/zinc/61/18/34/1169611834.db2.gz CQUTWHCOPYYTEK-DGMVEKRQSA-N 1 0 183.339 3.367 10 0 AGAERO CC(C)CCC[NH2+][C@@H]1C[C@H]1CC(C)C 385267180 1169612004 /nfs/dbraw/zinc/61/20/04/1169612004.db2.gz YGKOGQJGKVUPAQ-CHWSQXEVSA-N 1 0 197.366 3.447 10 0 AGAERO CC/C=C\C[NH2+]C[C@H](C)CC(C)C 385189200 1169612145 /nfs/dbraw/zinc/61/21/45/1169612145.db2.gz OGKZMTKSOBBNOA-ZHRWSRJISA-N 1 0 183.339 3.224 10 0 AGAERO CC/C=C\C[NH2+][C@H](C)CCC(C)C 385109513 1169612307 /nfs/dbraw/zinc/61/23/07/1169612307.db2.gz CQUTWHCOPYYTEK-ZHRWSRJISA-N 1 0 183.339 3.367 10 0 AGAERO CCC[C@H](C)[NH2+][C@H]1CC12CCCCC2 386868600 1169613006 /nfs/dbraw/zinc/61/30/06/1169613006.db2.gz GQUWQAJXBSJCFP-RYUDHWBXSA-N 1 0 195.350 3.487 10 0 AGAERO CCC[C@@H](C)[NH2+][C@@H]1CC12CCCCC2 386868602 1169613690 /nfs/dbraw/zinc/61/36/90/1169613690.db2.gz GQUWQAJXBSJCFP-VXGBXAGGSA-N 1 0 195.350 3.487 10 0 AGAERO CCC[C@@H](C)[NH2+][C@H]1CC12CCCCC2 386868598 1169613948 /nfs/dbraw/zinc/61/39/48/1169613948.db2.gz GQUWQAJXBSJCFP-NEPJUHHUSA-N 1 0 195.350 3.487 10 0 AGAERO CCC[C@H](C)[NH2+][C@@H]1CC12CCCCC2 386868599 1169614687 /nfs/dbraw/zinc/61/46/87/1169614687.db2.gz GQUWQAJXBSJCFP-NWDGAFQWSA-N 1 0 195.350 3.487 10 0 AGAERO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC(C)(C)C1 387655221 1169616372 /nfs/dbraw/zinc/61/63/72/1169616372.db2.gz FRCGMFCBUIVBRY-GRYCIOLGSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC(C)(C)C1 387655226 1169616668 /nfs/dbraw/zinc/61/66/68/1169616668.db2.gz FRCGMFCBUIVBRY-WOPDTQHZSA-N 1 0 195.350 3.201 10 0 AGAERO CCC(CC)[NH2+][C@@H]1CC12CCCCC2 386987144 1169617333 /nfs/dbraw/zinc/61/73/33/1169617333.db2.gz JLQKQHNEXBYNAJ-GFCCVEGCSA-N 1 0 195.350 3.487 10 0 AGAERO CC[C@@H]1C[C@H]1C[NH2+]CCCC(C)C 387656145 1169617343 /nfs/dbraw/zinc/61/73/43/1169617343.db2.gz FYAWEIVPFSQOHY-NEPJUHHUSA-N 1 0 183.339 3.058 10 0 AGAERO CCC(CC)[NH2+][C@H]1CC12CCCCC2 386987146 1169617770 /nfs/dbraw/zinc/61/77/70/1169617770.db2.gz JLQKQHNEXBYNAJ-LBPRGKRZSA-N 1 0 195.350 3.487 10 0 AGAERO CC[C@@H]1C[C@H]1C[NH2+]CC1(C)CCCC1 387736058 1169618575 /nfs/dbraw/zinc/61/85/75/1169618575.db2.gz UQDIFJJXYMQAIV-NEPJUHHUSA-N 1 0 195.350 3.202 10 0 AGAERO CCC[C@@H](C)[NH2+]C(C(C)C)C(C)C 388123179 1169618956 /nfs/dbraw/zinc/61/89/56/1169618956.db2.gz YBCKIJXTZJWRLK-LLVKDONJSA-N 1 0 185.355 3.445 10 0 AGAERO CCC[C@H](C)[NH2+]C(C(C)C)C(C)C 388123193 1169618966 /nfs/dbraw/zinc/61/89/66/1169618966.db2.gz YBCKIJXTZJWRLK-NSHDSACASA-N 1 0 185.355 3.445 10 0 AGAERO CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H](F)C1 388280038 1169621509 /nfs/dbraw/zinc/62/15/09/1169621509.db2.gz LRDGEMTVKJJRFY-OUAUKWLOSA-N 1 0 187.302 3.045 10 0 AGAERO CCC[C@H](CC)[NH2+][C@H]1CC[C@@H](F)C1 388280061 1169621530 /nfs/dbraw/zinc/62/15/30/1169621530.db2.gz LRDGEMTVKJJRFY-VWYCJHECSA-N 1 0 187.302 3.045 10 0 AGAERO CCC[C@H](C)[N@H+](CC1CC1)C(C)C 388320395 1169622156 /nfs/dbraw/zinc/62/21/56/1169622156.db2.gz WVTKOUALNPUHEA-NSHDSACASA-N 1 0 183.339 3.295 10 0 AGAERO CCCC[C@@H](CC)[NH2+]CCC(F)F 388294090 1169622292 /nfs/dbraw/zinc/62/22/92/1169622292.db2.gz YOJIORFTTKOKKQ-SECBINFHSA-N 1 0 193.281 3.200 10 0 AGAERO CCC[C@@H](C)[N@H+](CC1CC1)C(C)C 388320394 1169623651 /nfs/dbraw/zinc/62/36/51/1169623651.db2.gz WVTKOUALNPUHEA-LLVKDONJSA-N 1 0 183.339 3.295 10 0 AGAERO CCCC[C@H](CC)[NH2+]CCC(F)F 388294091 1169623755 /nfs/dbraw/zinc/62/37/55/1169623755.db2.gz YOJIORFTTKOKKQ-VIFPVBQESA-N 1 0 193.281 3.200 10 0 AGAERO CCCCC[C@@H](C)[NH2+]C1(C)CCC1 388325756 1169624332 /nfs/dbraw/zinc/62/43/32/1169624332.db2.gz ZIQBWEYJOXMUBY-LLVKDONJSA-N 1 0 183.339 3.487 10 0 AGAERO CCCCC[C@H](C)[NH2+]C1(C)CCC1 388325757 1169624533 /nfs/dbraw/zinc/62/45/33/1169624533.db2.gz ZIQBWEYJOXMUBY-NSHDSACASA-N 1 0 183.339 3.487 10 0 AGAERO CCCC[C@@H](C)[N@H+](C)[C@H](C)CC 388501860 1169625948 /nfs/dbraw/zinc/62/59/48/1169625948.db2.gz MKOZEGOWTBNETD-GHMZBOCLSA-N 1 0 171.328 3.295 10 0 AGAERO CCCC[C@H](C)[N@H+](C)[C@@H](C)CC 388501869 1169626216 /nfs/dbraw/zinc/62/62/16/1169626216.db2.gz MKOZEGOWTBNETD-QWRGUYRKSA-N 1 0 171.328 3.295 10 0 AGAERO CCCC[C@H](C)[N@H+](C)[C@H](C)CC 388501865 1169626844 /nfs/dbraw/zinc/62/68/44/1169626844.db2.gz MKOZEGOWTBNETD-MNOVXSKESA-N 1 0 171.328 3.295 10 0 AGAERO CCCCC[N@H+](C)[C@H]1CC[C@@H](C)C1 388782967 1169633352 /nfs/dbraw/zinc/63/33/52/1169633352.db2.gz JWYQKWRYOPOLEZ-NEPJUHHUSA-N 1 0 183.339 3.297 10 0 AGAERO CCCC[C@@H](C)[N@H+](C)[C@@H](C)CC 388501874 1169627799 /nfs/dbraw/zinc/62/77/99/1169627799.db2.gz MKOZEGOWTBNETD-WDEREUQCSA-N 1 0 171.328 3.295 10 0 AGAERO CC(C)CCC[C@H](C)[NH2+][C@@H]1C[C@@H]1C 388589999 1169628836 /nfs/dbraw/zinc/62/88/36/1169628836.db2.gz ADLOUAZYASUNOI-SDDRHHMPSA-N 1 0 183.339 3.199 10 0 AGAERO CC(C)CCC[C@H](C)[NH2+][C@H]1C[C@@H]1C 388590000 1169628850 /nfs/dbraw/zinc/62/88/50/1169628850.db2.gz ADLOUAZYASUNOI-SRVKXCTJSA-N 1 0 183.339 3.199 10 0 AGAERO CC(C)CCC[C@H](C)[NH2+][C@H]1C[C@H]1C 388590002 1169628947 /nfs/dbraw/zinc/62/89/47/1169628947.db2.gz ADLOUAZYASUNOI-WOPDTQHZSA-N 1 0 183.339 3.199 10 0 AGAERO CCCC[C@H](CC)[NH2+]C1(C)CCC1 388615287 1169629020 /nfs/dbraw/zinc/62/90/20/1169629020.db2.gz ANDCNZYMCGRJSI-NSHDSACASA-N 1 0 183.339 3.487 10 0 AGAERO CC(C)CC[NH2+]C[C@H]1CCCC1(C)C 388532669 1169629247 /nfs/dbraw/zinc/62/92/47/1169629247.db2.gz ATPKYBPOZMHBLA-GFCCVEGCSA-N 1 0 197.366 3.448 10 0 AGAERO CCCC[C@@H](CC)[NH2+]C1(C)CCC1 388615286 1169630390 /nfs/dbraw/zinc/63/03/90/1169630390.db2.gz ANDCNZYMCGRJSI-LLVKDONJSA-N 1 0 183.339 3.487 10 0 AGAERO CCCC(CCC)[N@H+](C)CC1CC1 388634862 1169630683 /nfs/dbraw/zinc/63/06/83/1169630683.db2.gz MIXIEYSABIBTPI-UHFFFAOYSA-N 1 0 183.339 3.297 10 0 AGAERO CC(C)CC[NH2+]C[C@@H]1CCCC1(C)C 388532671 1169630705 /nfs/dbraw/zinc/63/07/05/1169630705.db2.gz ATPKYBPOZMHBLA-LBPRGKRZSA-N 1 0 197.366 3.448 10 0 AGAERO CCCCC[C@@H](C)[N@@H+]1CC[C@@H](C)C1 388784134 1169632961 /nfs/dbraw/zinc/63/29/61/1169632961.db2.gz KIGQDJIVADGECW-VXGBXAGGSA-N 1 0 183.339 3.297 10 0 AGAERO CCCCC[C@H](C)[N@@H+]1CC[C@@H](C)C1 388784129 1169632756 /nfs/dbraw/zinc/63/27/56/1169632756.db2.gz KIGQDJIVADGECW-NEPJUHHUSA-N 1 0 183.339 3.297 10 0 AGAERO CCCCC[N@H+](C)[C@@H]1CC[C@@H](C)C1 388782971 1169632798 /nfs/dbraw/zinc/63/27/98/1169632798.db2.gz JWYQKWRYOPOLEZ-VXGBXAGGSA-N 1 0 183.339 3.297 10 0 AGAERO CCCCC[N@H+](C)[C@H]1CC[C@H](C)C1 388782970 1169633840 /nfs/dbraw/zinc/63/38/40/1169633840.db2.gz JWYQKWRYOPOLEZ-RYUDHWBXSA-N 1 0 183.339 3.297 10 0 AGAERO CCCCC[C@@H](C)[N@@H+]1CC[C@H](C)C1 388784131 1169634087 /nfs/dbraw/zinc/63/40/87/1169634087.db2.gz KIGQDJIVADGECW-NWDGAFQWSA-N 1 0 183.339 3.297 10 0 AGAERO CCCCC[C@H](C)[N@@H+]1CC[C@H](C)C1 388784132 1169634309 /nfs/dbraw/zinc/63/43/09/1169634309.db2.gz KIGQDJIVADGECW-RYUDHWBXSA-N 1 0 183.339 3.297 10 0 AGAERO CCCCC[N@H+](C)[C@@H]1CC[C@H](C)C1 388782969 1169634321 /nfs/dbraw/zinc/63/43/21/1169634321.db2.gz JWYQKWRYOPOLEZ-NWDGAFQWSA-N 1 0 183.339 3.297 10 0 AGAERO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)C(C)(C)C 389239503 1169636779 /nfs/dbraw/zinc/63/67/79/1169636779.db2.gz XORSOAJFKZEQSG-GRYCIOLGSA-N 1 0 197.366 3.445 10 0 AGAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)C(C)(C)C 389239508 1169637123 /nfs/dbraw/zinc/63/71/23/1169637123.db2.gz XORSOAJFKZEQSG-WOPDTQHZSA-N 1 0 197.366 3.445 10 0 AGAERO C[C@H](CC1CC1)[NH2+]C1CCC(F)CC1 389289022 1169639806 /nfs/dbraw/zinc/63/98/06/1169639806.db2.gz XVFPKOKJJMNRPN-OIKLOGQESA-N 1 0 199.313 3.045 10 0 AGAERO CCCC[NH2+]C1(CC)CCCCC1 389770676 1169639942 /nfs/dbraw/zinc/63/99/42/1169639942.db2.gz STHZNAMIRGCBCO-UHFFFAOYSA-N 1 0 183.339 3.489 10 0 AGAERO C[C@@H](CC1CC1)[NH2+]C1CCC(F)CC1 389289021 1169640149 /nfs/dbraw/zinc/64/01/49/1169640149.db2.gz XVFPKOKJJMNRPN-GCVQQVDUSA-N 1 0 199.313 3.045 10 0 AGAERO CCC(CC)C[NH2+]CC[C@H](C)CC 394455960 1169648891 /nfs/dbraw/zinc/64/88/91/1169648891.db2.gz JPCIJANGUFXNMP-LLVKDONJSA-N 1 0 185.355 3.448 10 0 AGAERO CC/C=C/C[NH2+]C[C@@H]1CCCC[C@H]1C 394857490 1169649064 /nfs/dbraw/zinc/64/90/64/1169649064.db2.gz MRFZPKNZESYPJF-GPEUJJIWSA-N 1 0 195.350 3.369 10 0 AGAERO CCC1([NH2+]CCCC2CC2)CCCC1 394456418 1169649087 /nfs/dbraw/zinc/64/90/87/1169649087.db2.gz RMRFFCJTCXGQQC-UHFFFAOYSA-N 1 0 195.350 3.489 10 0 AGAERO CCC(CC)[NH2+][C@@H]1CCCC12CCC2 394740618 1169649103 /nfs/dbraw/zinc/64/91/03/1169649103.db2.gz QROCXGKYXHZTPN-GFCCVEGCSA-N 1 0 195.350 3.487 10 0 AGAERO CC[C@@H](C)CC[NH2+]C[C@H]1CC=CCC1 394396124 1169649181 /nfs/dbraw/zinc/64/91/81/1169649181.db2.gz BYFPZTSPMWFITL-OLZOCXBDSA-N 1 0 195.350 3.369 10 0 AGAERO CC[C@H](C)CC[NH2+]CC1(C)CCC1 394400749 1169649260 /nfs/dbraw/zinc/64/92/60/1169649260.db2.gz HHKYTIALMCWXSS-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CCC[C@H](C)[NH2+][C@@H]1CCCC12CCC2 394746793 1169649284 /nfs/dbraw/zinc/64/92/84/1169649284.db2.gz XIYBNVYCRMGZFB-NWDGAFQWSA-N 1 0 195.350 3.487 10 0 AGAERO CC/C=C/C[NH2+]C[C@@H]1CCCC[C@@H]1C 394857498 1169649478 /nfs/dbraw/zinc/64/94/78/1169649478.db2.gz MRFZPKNZESYPJF-YUZRODSESA-N 1 0 195.350 3.369 10 0 AGAERO CC/C=C\C[NH2+]C[C@@H]1CCCC[C@@H]1C 394857493 1169649498 /nfs/dbraw/zinc/64/94/98/1169649498.db2.gz MRFZPKNZESYPJF-KNUBNCPHSA-N 1 0 195.350 3.369 10 0 AGAERO CC(C)C[NH2+]CC[C@H]1CCCC[C@H]1C 394876303 1169649549 /nfs/dbraw/zinc/64/95/49/1169649549.db2.gz DNZAAQGRKKEBEQ-CHWSQXEVSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)C[NH2+]CC[C@@H]1CCCC[C@H]1C 394876304 1169649633 /nfs/dbraw/zinc/64/96/33/1169649633.db2.gz DNZAAQGRKKEBEQ-OLZOCXBDSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@H](C)CC[NH2+]C[C@@H]1CC=CCC1 394396125 1169649596 /nfs/dbraw/zinc/64/95/96/1169649596.db2.gz BYFPZTSPMWFITL-QWHCGFSZSA-N 1 0 195.350 3.369 10 0 AGAERO CCC(CC)C[NH2+]CC[C@@H](C)CC 394455962 1169649856 /nfs/dbraw/zinc/64/98/56/1169649856.db2.gz JPCIJANGUFXNMP-NSHDSACASA-N 1 0 185.355 3.448 10 0 AGAERO CC[C@H](C)CC[NH2+]CCC(C)(C)C 394457411 1169649842 /nfs/dbraw/zinc/64/98/42/1169649842.db2.gz KOXJMHSBYFJKPH-NSHDSACASA-N 1 0 185.355 3.448 10 0 AGAERO CC(C)C[NH2+]CC[C@H]1CCCC[C@@H]1C 394876305 1169650043 /nfs/dbraw/zinc/65/00/43/1169650043.db2.gz DNZAAQGRKKEBEQ-QWHCGFSZSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@H](C)[NH2+][C@H]1CCCC12CCC2 394746795 1169650215 /nfs/dbraw/zinc/65/02/15/1169650215.db2.gz XIYBNVYCRMGZFB-RYUDHWBXSA-N 1 0 195.350 3.487 10 0 AGAERO CC[C@H](C)CC[NH2+]C[C@H]1CC=CCC1 394396127 1169650687 /nfs/dbraw/zinc/65/06/87/1169650687.db2.gz BYFPZTSPMWFITL-STQMWFEESA-N 1 0 195.350 3.369 10 0 AGAERO CC(C)C1(C[NH2+]CCCC2CC2)CC1 394522001 1169650738 /nfs/dbraw/zinc/65/07/38/1169650738.db2.gz VJJYSHSMRLAXND-UHFFFAOYSA-N 1 0 195.350 3.202 10 0 AGAERO CC[C@@H](C)CC[NH2+]C[C@@H]1CC=CCC1 394396123 1169650784 /nfs/dbraw/zinc/65/07/84/1169650784.db2.gz BYFPZTSPMWFITL-CHWSQXEVSA-N 1 0 195.350 3.369 10 0 AGAERO CC/C=C\C[NH2+]C[C@@H]1CCCC[C@H]1C 394857486 1169650943 /nfs/dbraw/zinc/65/09/43/1169650943.db2.gz MRFZPKNZESYPJF-ACOKAEEESA-N 1 0 195.350 3.369 10 0 AGAERO CC[C@@H](C)CC[NH2+]CC1(C)CCC1 394400747 1169650970 /nfs/dbraw/zinc/65/09/70/1169650970.db2.gz HHKYTIALMCWXSS-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CCC[C@@H](C)[NH2+][C@H]1CCCC12CCC2 394746792 1169650983 /nfs/dbraw/zinc/65/09/83/1169650983.db2.gz XIYBNVYCRMGZFB-NEPJUHHUSA-N 1 0 195.350 3.487 10 0 AGAERO CC[C@@H](C)CC[NH2+]CC1(C(C)C)CC1 394426343 1169651008 /nfs/dbraw/zinc/65/10/08/1169651008.db2.gz RCKIUXRZGMMQCY-GFCCVEGCSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@@H](C)[NH2+][C@@H]1CCCC12CCC2 394746797 1169651123 /nfs/dbraw/zinc/65/11/23/1169651123.db2.gz XIYBNVYCRMGZFB-VXGBXAGGSA-N 1 0 195.350 3.487 10 0 AGAERO CC(C)C[NH2+]CC[C@@H]1CCCC[C@@H]1C 394876306 1169651177 /nfs/dbraw/zinc/65/11/77/1169651177.db2.gz DNZAAQGRKKEBEQ-STQMWFEESA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@@H](C)CC[NH2+]CCC(C)(C)C 394457410 1169651185 /nfs/dbraw/zinc/65/11/85/1169651185.db2.gz KOXJMHSBYFJKPH-LLVKDONJSA-N 1 0 185.355 3.448 10 0 AGAERO CCC(CC)[NH2+][C@H]1CCCC12CCC2 394740620 1169651288 /nfs/dbraw/zinc/65/12/88/1169651288.db2.gz QROCXGKYXHZTPN-LBPRGKRZSA-N 1 0 195.350 3.487 10 0 AGAERO CC(C)C[C@@H](C)C[NH2+]C1CC(C)(C)C1 395289128 1169652113 /nfs/dbraw/zinc/65/21/13/1169652113.db2.gz IUODPZVRDNQPQW-LLVKDONJSA-N 1 0 197.366 3.447 10 0 AGAERO CC/C=C/C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 395235869 1169652244 /nfs/dbraw/zinc/65/22/44/1169652244.db2.gz PAKUSLYVQPLNHU-FNSAGKMKSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C\C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 395236783 1169653212 /nfs/dbraw/zinc/65/32/12/1169653212.db2.gz PAKUSLYVQPLNHU-QHDQMSKJSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C\C[NH2+][C@@H]1CC(C)(C)C[C@H]1C 395236791 1169653413 /nfs/dbraw/zinc/65/34/13/1169653413.db2.gz PAKUSLYVQPLNHU-UXFRKABBSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C\C[NH2+]C1C[C@H](C)C[C@@H](C)C1 395223051 1169653689 /nfs/dbraw/zinc/65/36/89/1169653689.db2.gz MGFXQUZKHUEPKJ-GKKDLHFNSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C/C[NH2+]C1C[C@H](C)C[C@@H](C)C1 395223054 1169653870 /nfs/dbraw/zinc/65/38/70/1169653870.db2.gz MGFXQUZKHUEPKJ-IEVRTODYSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C/C[NH2+][C@@H]1CC(C)(C)C[C@H]1C 395235867 1169653905 /nfs/dbraw/zinc/65/39/05/1169653905.db2.gz PAKUSLYVQPLNHU-BYAJROORSA-N 1 0 195.350 3.367 10 0 AGAERO CC(C)C[C@H](C)C[NH2+]C1CC(C)(C)C1 395289130 1169654241 /nfs/dbraw/zinc/65/42/41/1169654241.db2.gz IUODPZVRDNQPQW-NSHDSACASA-N 1 0 197.366 3.447 10 0 AGAERO CC/C=C\C[NH2+]C1C[C@@H](C)C[C@@H](C)C1 395223058 1169654411 /nfs/dbraw/zinc/65/44/11/1169654411.db2.gz MGFXQUZKHUEPKJ-SVWIVYCUSA-N 1 0 195.350 3.367 10 0 AGAERO CC/C=C/C[NH2+]C1C[C@@H](C)C[C@@H](C)C1 395223056 1169654721 /nfs/dbraw/zinc/65/47/21/1169654721.db2.gz MGFXQUZKHUEPKJ-PIPZZWBRSA-N 1 0 195.350 3.367 10 0 AGAERO CC[C@@H]([NH2+]CC=C(C)C)[C@H]1CC1(C)C 397573500 1169663597 /nfs/dbraw/zinc/66/35/97/1169663597.db2.gz CTYYMCKMFIDIAF-VXGBXAGGSA-N 1 0 195.350 3.367 10 0 AGAERO CC[C@H]([NH2+]CC=C(C)C)[C@@H]1CC1(C)C 397573499 1169663508 /nfs/dbraw/zinc/66/35/08/1169663508.db2.gz CTYYMCKMFIDIAF-RYUDHWBXSA-N 1 0 195.350 3.367 10 0 AGAERO CC(C)C([NH2+][C@H]1C[C@@H]2C[C@@H]2C1)C(C)C 397766171 1169663898 /nfs/dbraw/zinc/66/38/98/1169663898.db2.gz SCCJXXPXQDDTDY-ZSBIGDGJSA-N 1 0 195.350 3.055 10 0 AGAERO CC(C)CC[NH2+]C(C)(C)C1CCC1 398223020 1169668529 /nfs/dbraw/zinc/66/85/29/1169668529.db2.gz OOMQHALTLIIZQA-UHFFFAOYSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)C1(C[NH2+]CCC2CCC2)CC1 398755107 1169669647 /nfs/dbraw/zinc/66/96/47/1169669647.db2.gz SLPHKPSSQHHVAP-UHFFFAOYSA-N 1 0 195.350 3.202 10 0 AGAERO CC[C@@H](C)[NH2+]Cc1cccc(F)c1C 398845714 1169670744 /nfs/dbraw/zinc/67/07/44/1169670744.db2.gz QIDZKUBJKBIAKD-SECBINFHSA-N 1 0 195.281 3.022 10 0 AGAERO CC[C@H](C)[NH2+]Cc1cccc(F)c1C 398845715 1169671018 /nfs/dbraw/zinc/67/10/18/1169671018.db2.gz QIDZKUBJKBIAKD-VIFPVBQESA-N 1 0 195.281 3.022 10 0 AGAERO CCCC[C@@H](C)[NH2+]C[Si](C)(C)C 401577051 1169679226 /nfs/dbraw/zinc/67/92/26/1169679226.db2.gz BKXZRMKWHCELDV-SNVBAGLBSA-N 1 0 187.403 3.032 10 0 AGAERO Cc1scc(C[NH2+]CC(C)C)c1C 399838514 1169675429 /nfs/dbraw/zinc/67/54/29/1169675429.db2.gz RQGFFZKGTSYFGU-UHFFFAOYSA-N 1 0 197.347 3.111 10 0 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181.323 3.143 10 0 AGAERO C=C/C=C/CC[NH2+][C@@H](C)CC1CCC1 713668660 1169734286 /nfs/dbraw/zinc/73/42/86/1169734286.db2.gz JVDCSORKYMTGGE-ITKZLYELSA-N 1 0 193.334 3.287 10 0 AGAERO C=C/C=C\CC[NH2+][C@@H](C)CC1CCC1 713668663 1169734309 /nfs/dbraw/zinc/73/43/09/1169734309.db2.gz JVDCSORKYMTGGE-RXNFCKPNSA-N 1 0 193.334 3.287 10 0 AGAERO C=C/C=C\CC[NH2+]CCCC(C)C 713700211 1169734635 /nfs/dbraw/zinc/73/46/35/1169734635.db2.gz MQKFNUVGZSZDTR-WAYWQWQTSA-N 1 0 181.323 3.145 10 0 AGAERO C=C/C=C\CC[NH2+][C@@H](C)C1CCCC1 713727256 1169735163 /nfs/dbraw/zinc/73/51/63/1169735163.db2.gz JFAIJCBKBWRNDA-RXNFCKPNSA-N 1 0 193.334 3.287 10 0 AGAERO C=C/C=C/CC[NH2+]CCCC(C)C 713700209 1169735381 /nfs/dbraw/zinc/73/53/81/1169735381.db2.gz MQKFNUVGZSZDTR-AATRIKPKSA-N 1 0 181.323 3.145 10 0 AGAERO C=C/C=C\CC[NH2+]C1CCCCCC1 713725590 1169735409 /nfs/dbraw/zinc/73/54/09/1169735409.db2.gz DOVJRAHQQFKCOI-ARJAWSKDSA-N 1 0 193.334 3.431 10 0 AGAERO C=C/C=C\CC[NH2+][C@H](C)CC1CCC1 713668661 1169735438 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1 0 181.323 3.194 10 0 AGAERO CCC(CC)[N@@H+]1CC[C@H](C)C[C@@H]1C 1257299261 1169993471 /nfs/dbraw/zinc/99/34/71/1169993471.db2.gz GJMLLXDJMLJKLV-QWRGUYRKSA-N 1 0 183.339 3.295 10 0 AGAERO CCC(CC)[N@@H+]1CC[C@@H](C)C[C@H]1C 1257299259 1169994110 /nfs/dbraw/zinc/99/41/10/1169994110.db2.gz GJMLLXDJMLJKLV-GHMZBOCLSA-N 1 0 183.339 3.295 10 0 AGAERO CCC(CC)[N@@H+]1CCCC[C@H]1CC 1257300793 1169994132 /nfs/dbraw/zinc/99/41/32/1169994132.db2.gz JCTSBEPGNVSVEF-GFCCVEGCSA-N 1 0 183.339 3.440 10 0 AGAERO CCC(CC)[N@@H+]1CC[C@@H](C)C[C@@H]1C 1257299260 1169994167 /nfs/dbraw/zinc/99/41/67/1169994167.db2.gz GJMLLXDJMLJKLV-MNOVXSKESA-N 1 0 183.339 3.295 10 0 AGAERO CCC(CC)[N@H+](CC1CC1)C(C)C 1257298934 1169994311 /nfs/dbraw/zinc/99/43/11/1169994311.db2.gz AIYRSSPFMYNABT-UHFFFAOYSA-N 1 0 183.339 3.295 10 0 AGAERO CCC[C@H](C)[NH2+]C1(C)CCCCC1 1257304371 1169994321 /nfs/dbraw/zinc/99/43/21/1169994321.db2.gz AVNPEGZPIZQZLJ-NSHDSACASA-N 1 0 183.339 3.487 10 0 AGAERO CCC(CC)[NH+]1CCC(C)(C)CC1 1257300550 1169994423 /nfs/dbraw/zinc/99/44/23/1169994423.db2.gz WHGKDYLHCPNGGU-UHFFFAOYSA-N 1 0 183.339 3.297 10 0 AGAERO CCC(CC)[N@@H+]1CC[C@H](C)C[C@H]1C 1257299262 1169994687 /nfs/dbraw/zinc/99/46/87/1169994687.db2.gz GJMLLXDJMLJKLV-WDEREUQCSA-N 1 0 183.339 3.295 10 0 AGAERO CCC(CC)[N@@H+]1CCC[C@H]1CC 1257300220 1169994723 /nfs/dbraw/zinc/99/47/23/1169994723.db2.gz UAEXYDIGKTYAGA-LLVKDONJSA-N 1 0 169.312 3.049 10 0 AGAERO CCC(CC)[N@@H+]1CCC2(CCC2)C1 1257301309 1169994817 /nfs/dbraw/zinc/99/48/17/1169994817.db2.gz ZUKMOJQSQZNSBV-UHFFFAOYSA-N 1 0 181.323 3.051 10 0 AGAERO CCC(CC)[N@@H+]1CCCCC12CC2 1257301104 1169994962 /nfs/dbraw/zinc/99/49/62/1169994962.db2.gz PPXRHAWXKBKHBC-UHFFFAOYSA-N 1 0 181.323 3.194 10 0 AGAERO CCC(CC)[N@@H+]1CCC[C@@H](C)[C@@H]1C 1257300529 1169994974 /nfs/dbraw/zinc/99/49/74/1169994974.db2.gz VWLWXDQYOLBUES-MNOVXSKESA-N 1 0 183.339 3.295 10 0 AGAERO CCC[C@@H](C)[NH2+]C1(C)CCCCC1 1257304370 1169995122 /nfs/dbraw/zinc/99/51/22/1169995122.db2.gz AVNPEGZPIZQZLJ-LLVKDONJSA-N 1 0 183.339 3.487 10 0 AGAERO CCC(CC)[N@@H+]1CCCCC[C@H]1C 1257299288 1169995183 /nfs/dbraw/zinc/99/51/83/1169995183.db2.gz HMQKYLCRPUGUPC-LLVKDONJSA-N 1 0 183.339 3.440 10 0 AGAERO CCC(CC)[N@@H+]1CC2CCC1CC2 1257300861 1169995321 /nfs/dbraw/zinc/99/53/21/1169995321.db2.gz KJPIXENQJGOHJT-UHFFFAOYSA-N 1 0 181.323 3.049 10 0 AGAERO CCC(CC)[N@@H+]1CCC[C@@H]1CC 1257300221 1169995356 /nfs/dbraw/zinc/99/53/56/1169995356.db2.gz UAEXYDIGKTYAGA-NSHDSACASA-N 1 0 169.312 3.049 10 0 AGAERO CCC(CC)[N@@H+]1CCC[C@H](C)[C@@H]1C 1257300530 1169995395 /nfs/dbraw/zinc/99/53/95/1169995395.db2.gz VWLWXDQYOLBUES-QWRGUYRKSA-N 1 0 183.339 3.295 10 0 AGAERO CCC(CC)[N@@H+]1CCCC[C@@H]1CC 1257300794 1169995692 /nfs/dbraw/zinc/99/56/92/1169995692.db2.gz JCTSBEPGNVSVEF-LBPRGKRZSA-N 1 0 183.339 3.440 10 0 AGAERO CCC[C@H](C)[NH2+]C1(CC2CC2)CC1 1257312522 1169996694 /nfs/dbraw/zinc/99/66/94/1169996694.db2.gz DIQCBRSIIUFQEU-JTQLQIEISA-N 1 0 181.323 3.097 10 0 AGAERO CCC[C@@H](C)[NH2+]C1(CC2CC2)CC1 1257312523 1169997420 /nfs/dbraw/zinc/99/74/20/1169997420.db2.gz DIQCBRSIIUFQEU-SNVBAGLBSA-N 1 0 181.323 3.097 10 0 AGAERO CCC[C@@H](C)[NH+]1CC2(CCCC2)C1 1257317287 1169999726 /nfs/dbraw/zinc/99/97/26/1169999726.db2.gz MPSXBTWTHUNCCR-LLVKDONJSA-N 1 0 181.323 3.051 10 0 AGAERO CCC[C@H](C)[N@@H+]1CCC12CCCC2 1257317803 1169999878 /nfs/dbraw/zinc/99/98/78/1169999878.db2.gz VEWIKNATRVSFHJ-NSHDSACASA-N 1 0 181.323 3.194 10 0 AGAERO CC(C)C[NH2+]CCC1CCC(C)CC1 70532246 566259887 /nfs/dbraw/zinc/25/98/87/566259887.db2.gz AERZLZOBUKMPMV-UHFFFAOYSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[NH2+]CCC1CCC(C)CC1 70532207 566260397 /nfs/dbraw/zinc/26/03/97/566260397.db2.gz ZPCCQGKZRQUVFS-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO CC1CCC(CC[NH2+]CC2CC2)CC1 70532241 566261016 /nfs/dbraw/zinc/26/10/16/566261016.db2.gz MHQCMBLCDHYRIQ-UHFFFAOYSA-N 1 0 195.350 3.202 10 0 AGAERO CCCC[N@H+](C)C[C@@H](C)CCC 143659923 566266234 /nfs/dbraw/zinc/26/62/34/566266234.db2.gz HDMVGGPPKCSCHW-NSHDSACASA-N 1 0 171.328 3.155 10 0 AGAERO CCCC[N@H+](C)C[C@H](C)CCC 143660146 566267238 /nfs/dbraw/zinc/26/72/38/566267238.db2.gz HDMVGGPPKCSCHW-LLVKDONJSA-N 1 0 171.328 3.155 10 0 AGAERO CC(C)C[C@H](C)[NH2+]CCCC1CC1 161719305 566272812 /nfs/dbraw/zinc/27/28/12/566272812.db2.gz MKDYCUOGCCDERJ-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H]([NH2+]CCCC1CC1)C(C)C 161716424 566272831 /nfs/dbraw/zinc/27/28/31/566272831.db2.gz PNECVHCXHXVOIZ-LBPRGKRZSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H]([NH2+]CCCC1CC1)C(C)C 161716522 566272893 /nfs/dbraw/zinc/27/28/93/566272893.db2.gz PNECVHCXHXVOIZ-GFCCVEGCSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)C[C@@H](C)[NH2+]CCCC1CC1 161719206 566272904 /nfs/dbraw/zinc/27/29/04/566272904.db2.gz MKDYCUOGCCDERJ-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@H]([NH2+]CCCC1CC1)c1ccco1 161716671 566272925 /nfs/dbraw/zinc/27/29/25/566272925.db2.gz AITWAGYYEFYSHV-JTQLQIEISA-N 1 0 193.290 3.120 10 0 AGAERO C[C@@H]([NH2+]CCCC1CC1)c1ccco1 161716781 566273015 /nfs/dbraw/zinc/27/30/15/566273015.db2.gz AITWAGYYEFYSHV-SNVBAGLBSA-N 1 0 193.290 3.120 10 0 AGAERO C[C@H]1C[C@@H](C)C[C@H]([NH2+]C[C@@H]2C[C@@H]2C)C1 252682607 566286396 /nfs/dbraw/zinc/28/63/96/566286396.db2.gz CMPSYHDMVCQXKV-FPYNETTCSA-N 1 0 195.350 3.057 10 0 AGAERO C[C@H]1C[C@@H](C)C[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 252682609 566287106 /nfs/dbraw/zinc/28/71/06/566287106.db2.gz CMPSYHDMVCQXKV-MLGHIDQZSA-N 1 0 195.350 3.057 10 0 AGAERO C[C@H]1C[C@@H](C)C[C@H]([NH2+]C[C@@H]2C[C@H]2C)C1 252682605 566287148 /nfs/dbraw/zinc/28/71/48/566287148.db2.gz CMPSYHDMVCQXKV-FHUSYTEZSA-N 1 0 195.350 3.057 10 0 AGAERO C[C@H]1C[C@@H](C)C[C@H]([NH2+]C[C@H]2C[C@@H]2C)C1 252682610 566287384 /nfs/dbraw/zinc/28/73/84/566287384.db2.gz CMPSYHDMVCQXKV-OBPIAQAESA-N 1 0 195.350 3.057 10 0 AGAERO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H]2C)c1 257363255 566289678 /nfs/dbraw/zinc/28/96/78/566289678.db2.gz XANBVPZJLJXCIL-MDZLAQPJSA-N 1 0 189.302 3.054 10 0 AGAERO Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 257363256 566290110 /nfs/dbraw/zinc/29/01/10/566290110.db2.gz XANBVPZJLJXCIL-NTZNESFSSA-N 1 0 189.302 3.054 10 0 AGAERO CC(C)=CC[NH2+][C@H]1CC=C(C)CC1 307178982 566297123 /nfs/dbraw/zinc/29/71/23/566297123.db2.gz HRLJOBAHPFUNLB-LBPRGKRZSA-N 1 0 179.307 3.041 10 0 AGAERO CC(C)=CC[NH2+][C@@H]1CC=C(C)CC1 307178978 566297209 /nfs/dbraw/zinc/29/72/09/566297209.db2.gz HRLJOBAHPFUNLB-GFCCVEGCSA-N 1 0 179.307 3.041 10 0 AGAERO CCC1(C[NH2+]CC2(F)CC2)CCCC1 379667845 566306294 /nfs/dbraw/zinc/30/62/94/566306294.db2.gz YZEAJRNSQGSJJL-UHFFFAOYSA-N 1 0 199.313 3.049 10 0 AGAERO CCC[C@@H](C)[N@@H+]1CCC12CCCC2 1257317802 1170000204 /nfs/dbraw/zinc/00/02/04/1170000204.db2.gz VEWIKNATRVSFHJ-LLVKDONJSA-N 1 0 181.323 3.194 10 0 AGAERO CCC[C@H](C)[NH+]1CC2(CCCC2)C1 1257317288 1170000488 /nfs/dbraw/zinc/00/04/88/1170000488.db2.gz MPSXBTWTHUNCCR-NSHDSACASA-N 1 0 181.323 3.051 10 0 AGAERO CCC[C@H](C)[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 1257317540 1170000506 /nfs/dbraw/zinc/00/05/06/1170000506.db2.gz QDZIRZVAMJDBDA-RWMBFGLXSA-N 1 0 195.350 3.297 10 0 AGAERO CCC[C@@H](C)[N@H+](C)C[C@@H]1CC1(C)C 1257323811 1170001708 /nfs/dbraw/zinc/00/17/08/1170001708.db2.gz DCHNUZYNIQAANC-MNOVXSKESA-N 1 0 183.339 3.153 10 0 AGAERO CCC[C@H](C)[N@H+](C)C[C@H]1CC1(C)C 1257323816 1170002056 /nfs/dbraw/zinc/00/20/56/1170002056.db2.gz DCHNUZYNIQAANC-WDEREUQCSA-N 1 0 183.339 3.153 10 0 AGAERO CCC[C@H](C)[N@H+](C)C[C@@H]1CC1(C)C 1257323814 1170002864 /nfs/dbraw/zinc/00/28/64/1170002864.db2.gz DCHNUZYNIQAANC-QWRGUYRKSA-N 1 0 183.339 3.153 10 0 AGAERO CCC[C@@H](C)[N@@H+]1CCCCC12CC2 1257325618 1170003644 /nfs/dbraw/zinc/00/36/44/1170003644.db2.gz MPBTYUWPLWNHNX-LLVKDONJSA-N 1 0 181.323 3.194 10 0 AGAERO CCC[C@H](C)[N@@H+]1CCCCC12CC2 1257325619 1170003825 /nfs/dbraw/zinc/00/38/25/1170003825.db2.gz MPBTYUWPLWNHNX-NSHDSACASA-N 1 0 181.323 3.194 10 0 AGAERO CCC[C@@H](C)[N@H+](C)C[C@H]1CC1(C)C 1257323809 1170004165 /nfs/dbraw/zinc/00/41/65/1170004165.db2.gz DCHNUZYNIQAANC-GHMZBOCLSA-N 1 0 183.339 3.153 10 0 AGAERO C1CCC([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)C1 1257350856 1170010147 /nfs/dbraw/zinc/01/01/47/1170010147.db2.gz VWHSFOXWSIAWSK-NWDGAFQWSA-N 1 0 193.334 3.051 10 0 AGAERO CC[C@H]1CCCC[N@@H+]1C1CCCC1 1257353248 1170010206 /nfs/dbraw/zinc/01/02/06/1170010206.db2.gz AQRCSXDFIVQLMI-NSHDSACASA-N 1 0 181.323 3.194 10 0 AGAERO C1CCC([N@@H+]2CC[C@@H]3CCC[C@H]3C2)C1 1257350857 1170010421 /nfs/dbraw/zinc/01/04/21/1170010421.db2.gz VWHSFOXWSIAWSK-RYUDHWBXSA-N 1 0 193.334 3.051 10 0 AGAERO C1CCC([N@@H+]2CC[C@H]3CCC[C@H]3C2)C1 1257350855 1170011617 /nfs/dbraw/zinc/01/16/17/1170011617.db2.gz VWHSFOXWSIAWSK-NEPJUHHUSA-N 1 0 193.334 3.051 10 0 AGAERO C1CCC([N@@H+]2CC[C@H]3CCC[C@@H]3C2)C1 1257350858 1170012176 /nfs/dbraw/zinc/01/21/76/1170012176.db2.gz VWHSFOXWSIAWSK-VXGBXAGGSA-N 1 0 193.334 3.051 10 0 AGAERO CC[C@@H]1CCCC[N@@H+]1C1CCCC1 1257353247 1170012381 /nfs/dbraw/zinc/01/23/81/1170012381.db2.gz AQRCSXDFIVQLMI-LLVKDONJSA-N 1 0 181.323 3.194 10 0 AGAERO CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]1F 1257363273 1170012587 /nfs/dbraw/zinc/01/25/87/1170012587.db2.gz PZIHSABONQKLTJ-HBNTYKKESA-N 1 0 187.302 3.045 10 0 AGAERO CCCC[C@H](CC)[N@H+](C)CCC 1257419446 1170016365 /nfs/dbraw/zinc/01/63/65/1170016365.db2.gz WXRSYLOKJCSXCS-NSHDSACASA-N 1 0 171.328 3.297 10 0 AGAERO CCCC[C@@H](CC)[N@H+](C)CC1CC1 1257418968 1170016864 /nfs/dbraw/zinc/01/68/64/1170016864.db2.gz QFAIVCMNISVEEF-GFCCVEGCSA-N 1 0 183.339 3.297 10 0 AGAERO CCCC[C@H](CC)[N@H+](C)CC1CC1 1257418969 1170017215 /nfs/dbraw/zinc/01/72/15/1170017215.db2.gz QFAIVCMNISVEEF-LBPRGKRZSA-N 1 0 183.339 3.297 10 0 AGAERO CCCC[C@@H](CC)[N@H+](C)CCC 1257419445 1170019220 /nfs/dbraw/zinc/01/92/20/1170019220.db2.gz WXRSYLOKJCSXCS-LLVKDONJSA-N 1 0 171.328 3.297 10 0 AGAERO CCCC[C@H](CC)[N@H+](C)C(C)C 1257417701 1170019405 /nfs/dbraw/zinc/01/94/05/1170019405.db2.gz GVDSKRYCJQAHCF-NSHDSACASA-N 1 0 171.328 3.295 10 0 AGAERO CCCC[C@@H](CC)[N@H+](C)C(C)C 1257417700 1170019919 /nfs/dbraw/zinc/01/99/19/1170019919.db2.gz GVDSKRYCJQAHCF-LLVKDONJSA-N 1 0 171.328 3.295 10 0 AGAERO CCCC[C@@H](CC)N(C)CC(F)F 1257428247 1170020273 /nfs/dbraw/zinc/02/02/73/1170020273.db2.gz TYPSXAJHQBHMEC-SECBINFHSA-N 1 0 193.281 3.152 10 0 AGAERO CCCC[C@H](CC)N(C)CC(F)F 1257428248 1170021451 /nfs/dbraw/zinc/02/14/51/1170021451.db2.gz TYPSXAJHQBHMEC-VIFPVBQESA-N 1 0 193.281 3.152 10 0 AGAERO CC[C@H](C)[NH2+]CC1(CC2CCC2)CC1 1257433219 1170024029 /nfs/dbraw/zinc/02/40/29/1170024029.db2.gz GFADMMOSFXAOAN-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@H](C)[NH2+]C1(CC)CCCCC1 1257431112 1170024260 /nfs/dbraw/zinc/02/42/60/1170024260.db2.gz VKMVJFKGSJPJLE-NSHDSACASA-N 1 0 183.339 3.487 10 0 AGAERO CC[C@@H](C)[NH2+]C1(CC)CCCCC1 1257431111 1170024389 /nfs/dbraw/zinc/02/43/89/1170024389.db2.gz VKMVJFKGSJPJLE-LLVKDONJSA-N 1 0 183.339 3.487 10 0 AGAERO CC[C@@H](C)[NH2+]CC1(CC2CCC2)CC1 1257433218 1170024927 /nfs/dbraw/zinc/02/49/27/1170024927.db2.gz GFADMMOSFXAOAN-LLVKDONJSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@H](C)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 1257445389 1170030786 /nfs/dbraw/zinc/03/07/86/1170030786.db2.gz BOEBHYRSWMXVAB-YNEHKIRRSA-N 1 0 195.350 3.297 10 0 AGAERO CC[C@H](C)[NH+]1CC2(CCCCC2)C1 1257443048 1170032038 /nfs/dbraw/zinc/03/20/38/1170032038.db2.gz JFNVBJUHIMSLNT-NSHDSACASA-N 1 0 181.323 3.051 10 0 AGAERO CC[C@H](C)[N@@H+]1CCC[C@@H]2CCCC[C@H]21 1257442076 1170032088 /nfs/dbraw/zinc/03/20/88/1170032088.db2.gz BSIWQGNPJDAYBL-RWMBFGLXSA-N 1 0 195.350 3.440 10 0 AGAERO CC[C@H](C)[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 1257442075 1170033022 /nfs/dbraw/zinc/03/30/22/1170033022.db2.gz BSIWQGNPJDAYBL-AVGNSLFASA-N 1 0 195.350 3.440 10 0 AGAERO CC[C@H](C)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 1257442072 1170034274 /nfs/dbraw/zinc/03/42/74/1170034274.db2.gz BOEBHYRSWMXVAB-XQQFMLRXSA-N 1 0 195.350 3.297 10 0 AGAERO CC[C@@H](C)[NH+]1CC2(CCCCC2)C1 1257443047 1170034401 /nfs/dbraw/zinc/03/44/01/1170034401.db2.gz JFNVBJUHIMSLNT-LLVKDONJSA-N 1 0 181.323 3.051 10 0 AGAERO C1CCC([NH2+]C2(CC3CC3)CC2)CC1 1257453182 1170037738 /nfs/dbraw/zinc/03/77/38/1170037738.db2.gz FLFONFGTKJIXRU-UHFFFAOYSA-N 1 0 193.334 3.241 10 0 AGAERO CCCCC[C@H](C)[NH2+]C1(C)CC1 1257498481 1170038712 /nfs/dbraw/zinc/03/87/12/1170038712.db2.gz FKSJOFHYGRPWRP-JTQLQIEISA-N 1 0 169.312 3.097 10 0 AGAERO CCCCC[C@@H](C)[NH2+]C1(C)CC1 1257498482 1170039420 /nfs/dbraw/zinc/03/94/20/1170039420.db2.gz FKSJOFHYGRPWRP-SNVBAGLBSA-N 1 0 169.312 3.097 10 0 AGAERO C[C@H]1CC[N@@H+]1[C@@H]1CCCC(C)(C)C1 1258284492 1170059538 /nfs/dbraw/zinc/05/95/38/1170059538.db2.gz FFSGAIAGPWJXFW-WDEREUQCSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@H]1CC[N@@H+]1[C@H]1CCCC(C)(C)C1 1258284491 1170061439 /nfs/dbraw/zinc/06/14/39/1170061439.db2.gz FFSGAIAGPWJXFW-QWRGUYRKSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@@H]1CC[N@@H+]1[C@H]1CCCC(C)(C)C1 1258284490 1170061622 /nfs/dbraw/zinc/06/16/22/1170061622.db2.gz FFSGAIAGPWJXFW-MNOVXSKESA-N 1 0 181.323 3.049 10 0 AGAERO C[C@@H]1CC[N@@H+]1[C@@H]1CCCC(C)(C)C1 1258284489 1170062332 /nfs/dbraw/zinc/06/23/32/1170062332.db2.gz FFSGAIAGPWJXFW-GHMZBOCLSA-N 1 0 181.323 3.049 10 0 AGAERO CCCCC[C@@H](CC)[NH2+]CC(F)F 1258430652 1170062507 /nfs/dbraw/zinc/06/25/07/1170062507.db2.gz RCAHKGFOIQKCCB-SECBINFHSA-N 1 0 193.281 3.200 10 0 AGAERO CCCCC[C@@H](CC)[NH2+]C1CC1 1258430177 1170062690 /nfs/dbraw/zinc/06/26/90/1170062690.db2.gz JSTGRCXUMVNDBB-SNVBAGLBSA-N 1 0 169.312 3.097 10 0 AGAERO CCCCC[C@H](CC)[NH2+][C@@H]1C[C@@H]1C 1258429865 1170063224 /nfs/dbraw/zinc/06/32/24/1170063224.db2.gz FIKRYXSXMBJIEN-SDDRHHMPSA-N 1 0 183.339 3.343 10 0 AGAERO CCCCC[C@@H](CC)[NH2+][C@@H]1C[C@H]1C 1258429864 1170063251 /nfs/dbraw/zinc/06/32/51/1170063251.db2.gz FIKRYXSXMBJIEN-IJLUTSLNSA-N 1 0 183.339 3.343 10 0 AGAERO CCCCC[C@H](CC)[NH2+]CC(F)F 1258430653 1170063430 /nfs/dbraw/zinc/06/34/30/1170063430.db2.gz RCAHKGFOIQKCCB-VIFPVBQESA-N 1 0 193.281 3.200 10 0 AGAERO CCCCC[C@H](CC)[NH2+][C@H]1C[C@H]1C 1258429867 1170063978 /nfs/dbraw/zinc/06/39/78/1170063978.db2.gz FIKRYXSXMBJIEN-WOPDTQHZSA-N 1 0 183.339 3.343 10 0 AGAERO CCCCC[C@H](CC)[NH2+][C@H]1C[C@@H]1C 1258429866 1170064655 /nfs/dbraw/zinc/06/46/55/1170064655.db2.gz FIKRYXSXMBJIEN-SRVKXCTJSA-N 1 0 183.339 3.343 10 0 AGAERO CCCCC[C@H](CC)[NH2+]C1CC1 1258430176 1170064798 /nfs/dbraw/zinc/06/47/98/1170064798.db2.gz JSTGRCXUMVNDBB-JTQLQIEISA-N 1 0 169.312 3.097 10 0 AGAERO CCCCC[C@H](CC)[NH2+][C@@H]1C[C@H]1C 1258429863 1170065180 /nfs/dbraw/zinc/06/51/80/1170065180.db2.gz FIKRYXSXMBJIEN-GRYCIOLGSA-N 1 0 183.339 3.343 10 0 AGAERO CCCCC[C@H](CC)[NH2+]CC1CC1 1258431253 1170065837 /nfs/dbraw/zinc/06/58/37/1170065837.db2.gz YUBQRZLQKRYAQJ-LBPRGKRZSA-N 1 0 183.339 3.345 10 0 AGAERO CCCCC[C@H](CC)[N@H+](C)CCF 1258448028 1170066327 /nfs/dbraw/zinc/06/63/27/1170066327.db2.gz MSFFXURLRILUIY-NSHDSACASA-N 1 0 189.318 3.247 10 0 AGAERO CCCCC[C@H](CC)[NH2+][C@@H]1C[C@H]1F 1258433016 1170066409 /nfs/dbraw/zinc/06/64/09/1170066409.db2.gz VHPPZBBHXUTFAG-HBNTYKKESA-N 1 0 187.302 3.045 10 0 AGAERO CCCCC[C@@H](CC)[NH2+]C1CCC1 1258431129 1170066660 /nfs/dbraw/zinc/06/66/60/1170066660.db2.gz XZHHNFUFZRUMBG-LLVKDONJSA-N 1 0 183.339 3.487 10 0 AGAERO CCCCC[C@@H](CC)[N@H+](C)CCF 1258448027 1170067744 /nfs/dbraw/zinc/06/77/44/1170067744.db2.gz MSFFXURLRILUIY-LLVKDONJSA-N 1 0 189.318 3.247 10 0 AGAERO CCCCC[C@@H](CC)[NH2+]CC1CC1 1258431252 1170067822 /nfs/dbraw/zinc/06/78/22/1170067822.db2.gz YUBQRZLQKRYAQJ-GFCCVEGCSA-N 1 0 183.339 3.345 10 0 AGAERO CCCCC[C@H](CC)[NH2+]C1CCC1 1258431130 1170068022 /nfs/dbraw/zinc/06/80/22/1170068022.db2.gz XZHHNFUFZRUMBG-NSHDSACASA-N 1 0 183.339 3.487 10 0 AGAERO CCC[N@H+](CC1CC1)[C@@H](C)CC1CC1 1258457176 1170068835 /nfs/dbraw/zinc/06/88/35/1170068835.db2.gz FREAUJZKGMINCB-NSHDSACASA-N 1 0 195.350 3.297 10 0 AGAERO CCC[N@H+](CC1CC1)[C@H](C)CC1CC1 1258457175 1170070071 /nfs/dbraw/zinc/07/00/71/1170070071.db2.gz FREAUJZKGMINCB-LLVKDONJSA-N 1 0 195.350 3.297 10 0 AGAERO CCC[NH+](CCC)[C@H](C)CC1CC1 1258458383 1170071842 /nfs/dbraw/zinc/07/18/42/1170071842.db2.gz UINSGPWYIPMXEF-LLVKDONJSA-N 1 0 183.339 3.297 10 0 AGAERO C[C@@H](CC1CC1)[N@@H+]1CCCC1(C)C 1258460229 1170071910 /nfs/dbraw/zinc/07/19/10/1170071910.db2.gz BQQBWLOMVUNZFF-JTQLQIEISA-N 1 0 181.323 3.049 10 0 AGAERO C[C@H]1CCCC[N@@H+]([C@H](C)CC2CC2)C1 1258465624 1170072059 /nfs/dbraw/zinc/07/20/59/1170072059.db2.gz PGFZXQDIIVDLTI-NWDGAFQWSA-N 1 0 195.350 3.297 10 0 AGAERO C[C@@H]1CCCC[N@H+]1[C@H](C)CC1CC1 1258458783 1170072207 /nfs/dbraw/zinc/07/22/07/1170072207.db2.gz ZDVDLSCOINRCPM-GHMZBOCLSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@@H]1CCCC[N@@H+]([C@H](C)CC2CC2)C1 1258465628 1170072329 /nfs/dbraw/zinc/07/23/29/1170072329.db2.gz PGFZXQDIIVDLTI-VXGBXAGGSA-N 1 0 195.350 3.297 10 0 AGAERO C[C@H](CC1CC1)[NH+]1CCC(C)(C)CC1 1258461023 1170072385 /nfs/dbraw/zinc/07/23/85/1170072385.db2.gz BIMPZACHLFBWBW-LLVKDONJSA-N 1 0 195.350 3.297 10 0 AGAERO C[C@H](CC1CC1)[N@@H+]1CCC12CCCC2 1258466054 1170072411 /nfs/dbraw/zinc/07/24/11/1170072411.db2.gz SWWMXPIQBIOVHW-LLVKDONJSA-N 1 0 193.334 3.194 10 0 AGAERO C[C@H]1CCCC[N@H+]1[C@@H](C)CC1CC1 1258458785 1170072611 /nfs/dbraw/zinc/07/26/11/1170072611.db2.gz ZDVDLSCOINRCPM-QWRGUYRKSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@H](CC1CC1)[NH+]1CCC2(CC1)CC2 1258460905 1170072866 /nfs/dbraw/zinc/07/28/66/1170072866.db2.gz GUSWMRUNQJZEPS-LLVKDONJSA-N 1 0 193.334 3.051 10 0 AGAERO C[C@H]1CCC[N@@H+]([C@H](C)CC2CC2)CC1 1258460680 1170072916 /nfs/dbraw/zinc/07/29/16/1170072916.db2.gz FFSAWXQODCRFNS-NWDGAFQWSA-N 1 0 195.350 3.297 10 0 AGAERO CC(C)[N@H+](CC1CC1)[C@@H](C)CC1CC1 1258462792 1170073016 /nfs/dbraw/zinc/07/30/16/1170073016.db2.gz KWXQGUMPQKHLAD-NSHDSACASA-N 1 0 195.350 3.295 10 0 AGAERO C[C@@H](CC1CC1)[NH+]1CCC(C)(C)CC1 1258461031 1170073077 /nfs/dbraw/zinc/07/30/77/1170073077.db2.gz BIMPZACHLFBWBW-NSHDSACASA-N 1 0 195.350 3.297 10 0 AGAERO C[C@@H](CC1CC1)[N@@H+]1CCC[C@@H](C)CC1 1258460679 1170073120 /nfs/dbraw/zinc/07/31/20/1170073120.db2.gz FFSAWXQODCRFNS-NEPJUHHUSA-N 1 0 195.350 3.297 10 0 AGAERO C[C@@H]1CCC[N@@H+]([C@H](C)CC2CC2)CC1 1258460682 1170073208 /nfs/dbraw/zinc/07/32/08/1170073208.db2.gz FFSAWXQODCRFNS-VXGBXAGGSA-N 1 0 195.350 3.297 10 0 AGAERO CCC[NH+](CCC)[C@@H](C)CC1CC1 1258458384 1170073386 /nfs/dbraw/zinc/07/33/86/1170073386.db2.gz UINSGPWYIPMXEF-NSHDSACASA-N 1 0 183.339 3.297 10 0 AGAERO C[C@H]1[C@H](C)CCC[N@H+]1[C@H](C)CC1CC1 1258463472 1170073430 /nfs/dbraw/zinc/07/34/30/1170073430.db2.gz NYAZPZAMBXPDKT-UTUOFQBUSA-N 1 0 195.350 3.295 10 0 AGAERO C[C@@H](CC1CC1)[N@@H+]1CCC[C@@H](C)[C@H]1C 1258463470 1170073511 /nfs/dbraw/zinc/07/35/11/1170073511.db2.gz NYAZPZAMBXPDKT-GRYCIOLGSA-N 1 0 195.350 3.295 10 0 AGAERO C[C@H](CC1CC1)[N@@H+]1CCCC1(C)C 1258460230 1170073538 /nfs/dbraw/zinc/07/35/38/1170073538.db2.gz BQQBWLOMVUNZFF-SNVBAGLBSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@H]1CCCCC[N@H+]1[C@@H](C)CC1CC1 1258461719 1170073731 /nfs/dbraw/zinc/07/37/31/1170073731.db2.gz DZTZWPWPSXDOHU-RYUDHWBXSA-N 1 0 195.350 3.440 10 0 AGAERO C[C@@H](CC1CC1)[N@@H+]1CCC2(CCC2)C1 1258463528 1170073759 /nfs/dbraw/zinc/07/37/59/1170073759.db2.gz AMXIOGBBUNIQGD-NSHDSACASA-N 1 0 193.334 3.051 10 0 AGAERO C[C@@H](CC1CC1)[N@@H+]1CCCC[C@@H](C)C1 1258465623 1170073904 /nfs/dbraw/zinc/07/39/04/1170073904.db2.gz PGFZXQDIIVDLTI-NEPJUHHUSA-N 1 0 195.350 3.297 10 0 AGAERO C[C@H](CC1CC1)[N@@H+]1CCC2(CCC2)C1 1258463527 1170074004 /nfs/dbraw/zinc/07/40/04/1170074004.db2.gz AMXIOGBBUNIQGD-LLVKDONJSA-N 1 0 193.334 3.051 10 0 AGAERO CCCC[N@H+](CC)[C@@H](C)CC1CC1 1258458684 1170074040 /nfs/dbraw/zinc/07/40/40/1170074040.db2.gz XWRJPVMQJQSNBV-NSHDSACASA-N 1 0 183.339 3.297 10 0 AGAERO C[C@@H](CC1CC1)[NH+]1CCC2(CC1)CC2 1258460906 1170074188 /nfs/dbraw/zinc/07/41/88/1170074188.db2.gz GUSWMRUNQJZEPS-NSHDSACASA-N 1 0 193.334 3.051 10 0 AGAERO C[C@@H]1CCC[N@@H+]([C@H](C)CC2CC2)[C@@H]1C 1258463471 1170074218 /nfs/dbraw/zinc/07/42/18/1170074218.db2.gz NYAZPZAMBXPDKT-IJLUTSLNSA-N 1 0 195.350 3.295 10 0 AGAERO C[C@@H](CC1CC1)[N@@H+]1CCC[C@@H](C)[C@@H]1C 1258463473 1170074285 /nfs/dbraw/zinc/07/42/85/1170074285.db2.gz NYAZPZAMBXPDKT-WOPDTQHZSA-N 1 0 195.350 3.295 10 0 AGAERO C[C@H](CC1CC1)[NH+]1CC2(CCCC2)C1 1258466058 1170074295 /nfs/dbraw/zinc/07/42/95/1170074295.db2.gz SXCBBZCCWRFZMX-LLVKDONJSA-N 1 0 193.334 3.051 10 0 AGAERO C[C@@H](CC1CC1)[N@@H+]1CCCC[C@H]1C 1258458784 1170074415 /nfs/dbraw/zinc/07/44/15/1170074415.db2.gz ZDVDLSCOINRCPM-MNOVXSKESA-N 1 0 181.323 3.049 10 0 AGAERO C[C@H]1CCCC[N@@H+]([C@@H](C)CC2CC2)C1 1258465627 1170074477 /nfs/dbraw/zinc/07/44/77/1170074477.db2.gz PGFZXQDIIVDLTI-RYUDHWBXSA-N 1 0 195.350 3.297 10 0 AGAERO C[C@H](CC1CC1)[NH+]1CCCCCCC1 1258463643 1170074651 /nfs/dbraw/zinc/07/46/51/1170074651.db2.gz BMABCGUKEJUJBI-GFCCVEGCSA-N 1 0 195.350 3.441 10 0 AGAERO CCC1CC[NH+]([C@@H](C)CC2CC2)CC1 1258460439 1170074684 /nfs/dbraw/zinc/07/46/84/1170074684.db2.gz DGOXHJWEKVZIAE-NSHDSACASA-N 1 0 195.350 3.297 10 0 AGAERO C[C@@H](CC1CC1)[N@@H+]1CCCCC[C@H]1C 1258461717 1170074702 /nfs/dbraw/zinc/07/47/02/1170074702.db2.gz DZTZWPWPSXDOHU-NEPJUHHUSA-N 1 0 195.350 3.440 10 0 AGAERO C[C@@H](CC1CC1)[NH+]1CC2(CCCC2)C1 1258466060 1170074870 /nfs/dbraw/zinc/07/48/70/1170074870.db2.gz SXCBBZCCWRFZMX-NSHDSACASA-N 1 0 193.334 3.051 10 0 AGAERO C[C@H]1CCCCC[N@H+]1[C@H](C)CC1CC1 1258461718 1170074880 /nfs/dbraw/zinc/07/48/80/1170074880.db2.gz DZTZWPWPSXDOHU-NWDGAFQWSA-N 1 0 195.350 3.440 10 0 AGAERO CC(C)[N@H+](CC1CC1)[C@H](C)CC1CC1 1258462790 1170074995 /nfs/dbraw/zinc/07/49/95/1170074995.db2.gz KWXQGUMPQKHLAD-LLVKDONJSA-N 1 0 195.350 3.295 10 0 AGAERO C[C@H]1CCCC[N@H+]1[C@H](C)CC1CC1 1258458786 1170075026 /nfs/dbraw/zinc/07/50/26/1170075026.db2.gz ZDVDLSCOINRCPM-WDEREUQCSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@H]1CCC[N@@H+]([C@@H](C)CC2CC2)CC1 1258460681 1170075056 /nfs/dbraw/zinc/07/50/56/1170075056.db2.gz FFSAWXQODCRFNS-RYUDHWBXSA-N 1 0 195.350 3.297 10 0 AGAERO CCCC[N@H+](CC)[C@H](C)CC1CC1 1258458683 1170075105 /nfs/dbraw/zinc/07/51/05/1170075105.db2.gz XWRJPVMQJQSNBV-LLVKDONJSA-N 1 0 183.339 3.297 10 0 AGAERO CCC1CC[NH+]([C@H](C)CC2CC2)CC1 1258460437 1170075208 /nfs/dbraw/zinc/07/52/08/1170075208.db2.gz DGOXHJWEKVZIAE-LLVKDONJSA-N 1 0 195.350 3.297 10 0 AGAERO C[C@@H](CC1CC1)[N@@H+]1CCC12CCCC2 1258466056 1170075387 /nfs/dbraw/zinc/07/53/87/1170075387.db2.gz SWWMXPIQBIOVHW-NSHDSACASA-N 1 0 193.334 3.194 10 0 AGAERO C[C@@H]1CCCCC[N@H+]1[C@H](C)CC1CC1 1258461720 1170075497 /nfs/dbraw/zinc/07/54/97/1170075497.db2.gz DZTZWPWPSXDOHU-VXGBXAGGSA-N 1 0 195.350 3.440 10 0 AGAERO C[C@@H](CC1CC1)[NH+]1CCCCCCC1 1258463645 1170075552 /nfs/dbraw/zinc/07/55/52/1170075552.db2.gz BMABCGUKEJUJBI-LBPRGKRZSA-N 1 0 195.350 3.441 10 0 AGAERO C[C@@H](CC1CC1)[N@H+](CC1CC1)C1CC1 1258470655 1170075805 /nfs/dbraw/zinc/07/58/05/1170075805.db2.gz QDGLYNXZZSVMEX-JTQLQIEISA-N 1 0 193.334 3.049 10 0 AGAERO C[C@H](CC1CC1)[N@H+](CC1CC1)C1CC1 1258470656 1170076393 /nfs/dbraw/zinc/07/63/93/1170076393.db2.gz QDGLYNXZZSVMEX-SNVBAGLBSA-N 1 0 193.334 3.049 10 0 AGAERO CC[C@@H]1CCC[N@@H+]1[C@@H](C)CC1CC1 1258468131 1170076482 /nfs/dbraw/zinc/07/64/82/1170076482.db2.gz SVQALPOTUOTEKW-CMPLNLGQSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)CC2CC2)C1 1258467834 1170076707 /nfs/dbraw/zinc/07/67/07/1170076707.db2.gz NZEIMFQKROMBKQ-TUAOUCFPSA-N 1 0 195.350 3.153 10 0 AGAERO CC[C@@H]1CCC[N@@H+]([C@H](C)CC2CC2)C1 1258467891 1170076896 /nfs/dbraw/zinc/07/68/96/1170076896.db2.gz OSUSTCOWVFCITC-VXGBXAGGSA-N 1 0 195.350 3.297 10 0 AGAERO CC[C@H]1CCC[N@@H+]1[C@@H](C)CC1CC1 1258468132 1170078703 /nfs/dbraw/zinc/07/87/03/1170078703.db2.gz SVQALPOTUOTEKW-JQWIXIFHSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@@H]1CC[N@@H+]([C@H](C)CC2CC2)[C@H](C)C1 1258467821 1170077113 /nfs/dbraw/zinc/07/71/13/1170077113.db2.gz NTQYQWSAGGMDGG-IJLUTSLNSA-N 1 0 195.350 3.295 10 0 AGAERO CC[C@@H]1CCC[N@@H+]([C@@H](C)CC2CC2)C1 1258467889 1170077166 /nfs/dbraw/zinc/07/71/66/1170077166.db2.gz OSUSTCOWVFCITC-NWDGAFQWSA-N 1 0 195.350 3.297 10 0 AGAERO CC[C@H]1CCC[N@@H+]1[C@H](C)CC1CC1 1258468133 1170077192 /nfs/dbraw/zinc/07/71/92/1170077192.db2.gz SVQALPOTUOTEKW-PWSUYJOCSA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@@H]1CCC[N@@H+]1[C@H](C)CC1CC1 1258468134 1170077439 /nfs/dbraw/zinc/07/74/39/1170077439.db2.gz SVQALPOTUOTEKW-ZYHUDNBSSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@@H](CC1CC1)[N@@H+]1CC[C@@H](C)C[C@H]1C 1258467822 1170077497 /nfs/dbraw/zinc/07/74/97/1170077497.db2.gz NTQYQWSAGGMDGG-UTUOFQBUSA-N 1 0 195.350 3.295 10 0 AGAERO C[C@H](CC1CC1)[N@@H+]1CC2CCC1CC2 1258467695 1170077512 /nfs/dbraw/zinc/07/75/12/1170077512.db2.gz KTXFVPFCTQUSGE-QFWMXSHPSA-N 1 0 193.334 3.049 10 0 AGAERO CC[C@H]1CCC[N@@H+]([C@@H](C)CC2CC2)C1 1258467890 1170077721 /nfs/dbraw/zinc/07/77/21/1170077721.db2.gz OSUSTCOWVFCITC-RYUDHWBXSA-N 1 0 195.350 3.297 10 0 AGAERO CC[C@H]1CCCC[N@@H+]1[C@H](C)CC1CC1 1258467058 1170077736 /nfs/dbraw/zinc/07/77/36/1170077736.db2.gz FHXLAHBNPCZQAE-YPMHNXCESA-N 1 0 195.350 3.440 10 0 AGAERO C[C@@H](CC1CC1)[N@@H+]1CC[C@@H](C)C[C@@H]1C 1258467823 1170077757 /nfs/dbraw/zinc/07/77/57/1170077757.db2.gz NTQYQWSAGGMDGG-WOPDTQHZSA-N 1 0 195.350 3.295 10 0 AGAERO 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XGGYZQQENSDIHX-UHFFFAOYSA-N 1 0 195.350 3.443 10 0 AGAERO CC[N@@H+]1CC[C@@]1(C)C1CCCCC1 1560096257 1170660818 /nfs/dbraw/zinc/66/08/18/1170660818.db2.gz QONWCSOEHSXHGA-LBPRGKRZSA-N 1 0 181.323 3.051 10 0 AGAERO CC(C)[N@@H+]1CCC[C@H](C2CCCC2)C1 1560225787 1170661603 /nfs/dbraw/zinc/66/16/03/1170661603.db2.gz BOKQVEAPYPXCFU-ZDUSSCGKSA-N 1 0 195.350 3.297 10 0 AGAERO C[C@H]1CCC[C@H]([NH2+][C@H]2CC2(C)C)CC1 1560502554 1170661744 /nfs/dbraw/zinc/66/17/44/1170661744.db2.gz RVZCOVVWUZOGCQ-SRVKXCTJSA-N 1 0 195.350 3.343 10 0 AGAERO CCC[C@@H]1CCC[N@@H+]1CC1=CCCC1 1560201708 1170662629 /nfs/dbraw/zinc/66/26/29/1170662629.db2.gz VJJCGPCVOQHMTE-CYBMUJFWSA-N 1 0 193.334 3.361 10 0 AGAERO C[C@H]1CCC[C@@H]([NH2+][C@H]2CC2(C)C)CC1 1560502555 1170662717 /nfs/dbraw/zinc/66/27/17/1170662717.db2.gz RVZCOVVWUZOGCQ-TUAOUCFPSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@@H]1CC=CC[C@H]1[NH2+]CCCC1CC1 1560217607 1170662994 /nfs/dbraw/zinc/66/29/94/1170662994.db2.gz ZMVFZTUAKJZOAU-DGCLKSJQSA-N 1 0 193.334 3.121 10 0 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/nfs/dbraw/zinc/80/59/15/1170805915.db2.gz LRTFKZXULSQEEW-AATRIKPKSA-N 1 0 195.350 3.465 10 0 AGAERO CC(C)=CCC[N@H+]1CC[C@H](C(C)C)C1 1615861349 1170805951 /nfs/dbraw/zinc/80/59/51/1170805951.db2.gz DJHKUHXKNWUFEY-ZDUSSCGKSA-N 1 0 195.350 3.321 10 0 AGAERO CCCCC[N@@H+]1[C@@H](C)CC[C@H]1CC 1616678145 1170806160 /nfs/dbraw/zinc/80/61/60/1170806160.db2.gz PLLWHSBEDIBNIE-NWDGAFQWSA-N 1 0 183.339 3.440 10 0 AGAERO CC(C)CCC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 1616376102 1170806183 /nfs/dbraw/zinc/80/61/83/1170806183.db2.gz UTOROSFYKWXHDB-OLZOCXBDSA-N 1 0 197.366 3.401 10 0 AGAERO C=C/C=C/CC[N@@H+]1[C@@H](C)CCC[C@H]1C 1615451112 1170806660 /nfs/dbraw/zinc/80/66/60/1170806660.db2.gz LFQDVXUNILUEDI-JARXHUJSSA-N 1 0 193.334 3.382 10 0 AGAERO C=C/C=C/CC[NH+]1[C@H](C)CCC[C@H]1C 1615451111 1170806745 /nfs/dbraw/zinc/80/67/45/1170806745.db2.gz LFQDVXUNILUEDI-FBVTZJDUSA-N 1 0 193.334 3.382 10 0 AGAERO CC(C)=CCC[N@H+]1CC[C@@H](C)[C@H](C)C1 1616376162 1170806873 /nfs/dbraw/zinc/80/68/73/1170806873.db2.gz VOCFSBFOTKJAIL-CHWSQXEVSA-N 1 0 195.350 3.321 10 0 AGAERO C=C/C=C\CC[NH+]1[C@H](C)CCC[C@H]1C 1615451113 1170806911 /nfs/dbraw/zinc/80/69/11/1170806911.db2.gz LFQDVXUNILUEDI-NTQVKLLNSA-N 1 0 193.334 3.382 10 0 AGAERO CCCC[C@@H](CC)C[N@H+]1CC=CCC1 1616601598 1170807230 /nfs/dbraw/zinc/80/72/30/1170807230.db2.gz WAWOOXJAOGEBDG-CYBMUJFWSA-N 1 0 195.350 3.465 10 0 AGAERO C[C@@H]1C[N@@H+](CC2=CCCC2)CC[C@H]1C 1616376115 1170807253 /nfs/dbraw/zinc/80/72/53/1170807253.db2.gz UWEAMEMNUAKKGV-VXGBXAGGSA-N 1 0 193.334 3.075 10 0 AGAERO C=C/C=C\CC[N@H+]1C[C@H](C)C[C@H]1CC 1615659352 1170807300 /nfs/dbraw/zinc/80/73/00/1170807300.db2.gz CQQAOMZKCCYKIX-ZSBJFDRYSA-N 1 0 193.334 3.239 10 0 AGAERO CC(C)=CCC[N@H+]1CC[C@H](C)[C@@H](C)C1 1616376165 1170807313 /nfs/dbraw/zinc/80/73/13/1170807313.db2.gz VOCFSBFOTKJAIL-STQMWFEESA-N 1 0 195.350 3.321 10 0 AGAERO CCC1CC[NH+](CCC=C(C)C)CC1 1615454241 1170807435 /nfs/dbraw/zinc/80/74/35/1170807435.db2.gz QTJXQVXQHKJCCV-UHFFFAOYSA-N 1 0 195.350 3.465 10 0 AGAERO CCCCC[N@@H+]1[C@H](C)CC[C@H]1CC 1616678148 1170807514 /nfs/dbraw/zinc/80/75/14/1170807514.db2.gz PLLWHSBEDIBNIE-VXGBXAGGSA-N 1 0 183.339 3.440 10 0 AGAERO CC(C)CCC[N@@H+]1CC[C@H](C)[C@H](C)C1 1616376103 1170807627 /nfs/dbraw/zinc/80/76/27/1170807627.db2.gz UTOROSFYKWXHDB-QWHCGFSZSA-N 1 0 197.366 3.401 10 0 AGAERO C=C/C=C\CC[N@H+](CC1CC1)C(C)C 1615953886 1170807733 /nfs/dbraw/zinc/80/77/33/1170807733.db2.gz CFJITYXRJSCTPS-WAYWQWQTSA-N 1 0 193.334 3.239 10 0 AGAERO C=C/C=C/CC[N@H+]1CC[C@H](C(C)C)C1 1615861885 1170807758 /nfs/dbraw/zinc/80/77/58/1170807758.db2.gz PXSPBENMEMWYKR-GFUIURDCSA-N 1 0 193.334 3.097 10 0 AGAERO CC(C)=CCC[N@@H+]1C[C@@H](C)CC[C@H]1C 1615644464 1170807950 /nfs/dbraw/zinc/80/79/50/1170807950.db2.gz PYQCCKOVCLKPSQ-QWHCGFSZSA-N 1 0 195.350 3.463 10 0 AGAERO C[C@H]1CC[N@H+](CC2=CCCC2)C[C@H]1C 1616376112 1170808113 /nfs/dbraw/zinc/80/81/13/1170808113.db2.gz UWEAMEMNUAKKGV-NWDGAFQWSA-N 1 0 193.334 3.075 10 0 AGAERO CC(C)=CCC[N@@H+]1C[C@@H](C)CC[C@@H]1C 1615644465 1170808168 /nfs/dbraw/zinc/80/81/68/1170808168.db2.gz PYQCCKOVCLKPSQ-STQMWFEESA-N 1 0 195.350 3.463 10 0 AGAERO C=C/C=C/CC[N@H+]1C[C@H](C)C[C@H]1CC 1615659345 1170808228 /nfs/dbraw/zinc/80/82/28/1170808228.db2.gz CQQAOMZKCCYKIX-AMRKSYTLSA-N 1 0 193.334 3.239 10 0 AGAERO CC(C)=CCC[N@H+]1CC[C@@H](C)[C@@H](C)C1 1616376163 1170808336 /nfs/dbraw/zinc/80/83/36/1170808336.db2.gz VOCFSBFOTKJAIL-OLZOCXBDSA-N 1 0 195.350 3.321 10 0 AGAERO C=C/C=C/CC[N@H+]1CC[C@@H](C(C)C)C1 1615861888 1170808463 /nfs/dbraw/zinc/80/84/63/1170808463.db2.gz PXSPBENMEMWYKR-URWSZGRFSA-N 1 0 193.334 3.097 10 0 AGAERO CC(C)=CCC[N@@H+]1C[C@H](C)CC[C@H]1C 1615644462 1170808489 /nfs/dbraw/zinc/80/84/89/1170808489.db2.gz PYQCCKOVCLKPSQ-CHWSQXEVSA-N 1 0 195.350 3.463 10 0 AGAERO CCCCC[N@H+]1[C@@H](CC)CC[C@H]1C 1616678144 1170808556 /nfs/dbraw/zinc/80/85/56/1170808556.db2.gz PLLWHSBEDIBNIE-NEPJUHHUSA-N 1 0 183.339 3.440 10 0 AGAERO CC(C)=CCC[N@@H+]1C[C@H](C)CC[C@@H]1C 1615644463 1170808576 /nfs/dbraw/zinc/80/85/76/1170808576.db2.gz PYQCCKOVCLKPSQ-OLZOCXBDSA-N 1 0 195.350 3.463 10 0 AGAERO CCCC[C@H](CC)C[N@H+]1CC=CCC1 1616601599 1170808815 /nfs/dbraw/zinc/80/88/15/1170808815.db2.gz WAWOOXJAOGEBDG-ZDUSSCGKSA-N 1 0 195.350 3.465 10 0 AGAERO C=C/C=C\CC[N@H+]1CC[C@@H](C(C)C)C1 1615861884 1170808848 /nfs/dbraw/zinc/80/88/48/1170808848.db2.gz PXSPBENMEMWYKR-CFHLNLSMSA-N 1 0 193.334 3.097 10 0 AGAERO C=C/C=C/CC[N@H+]1C[C@H](C)C[C@@H]1CC 1615659349 1170808894 /nfs/dbraw/zinc/80/88/94/1170808894.db2.gz CQQAOMZKCCYKIX-VWWYUBIBSA-N 1 0 193.334 3.239 10 0 AGAERO C=C/C=C\CC[N@H+]1C[C@H](C)C[C@@H]1CC 1615659346 1170808908 /nfs/dbraw/zinc/80/89/08/1170808908.db2.gz CQQAOMZKCCYKIX-FAVCKAPTSA-N 1 0 193.334 3.239 10 0 AGAERO CC(C)=CCC[NH+]1CCC(C)(C)CC1 1615387470 1170808970 /nfs/dbraw/zinc/80/89/70/1170808970.db2.gz IALBYUMKJFAERI-UHFFFAOYSA-N 1 0 195.350 3.465 10 0 AGAERO CC1(C)CCC[N@@H+]1CCCC1CC1 1615514785 1170809062 /nfs/dbraw/zinc/80/90/62/1170809062.db2.gz MWVBGUJYSDJNFG-UHFFFAOYSA-N 1 0 181.323 3.051 10 0 AGAERO C[C@H]1CC[N@H+](CC2=CCCC2)C[C@@H]1C 1616376113 1170809101 /nfs/dbraw/zinc/80/91/01/1170809101.db2.gz UWEAMEMNUAKKGV-RYUDHWBXSA-N 1 0 193.334 3.075 10 0 AGAERO CC(C)=CCC[N@H+]1CC[C@@H](C(C)C)C1 1615861348 1170809158 /nfs/dbraw/zinc/80/91/58/1170809158.db2.gz DJHKUHXKNWUFEY-CYBMUJFWSA-N 1 0 195.350 3.321 10 0 AGAERO CC(C)=CCC[N@H+]1CC[C@H](C)[C@H](C)C1 1616376164 1170809221 /nfs/dbraw/zinc/80/92/21/1170809221.db2.gz VOCFSBFOTKJAIL-QWHCGFSZSA-N 1 0 195.350 3.321 10 0 AGAERO CC(C)CCC[N@@H+]1CC[C@H](C)[C@@H](C)C1 1616376104 1170809238 /nfs/dbraw/zinc/80/92/38/1170809238.db2.gz UTOROSFYKWXHDB-STQMWFEESA-N 1 0 197.366 3.401 10 0 AGAERO CCCCC[N@@H+]1[C@@H](C)CC[C@@H]1CC 1616678146 1170809287 /nfs/dbraw/zinc/80/92/87/1170809287.db2.gz PLLWHSBEDIBNIE-RYUDHWBXSA-N 1 0 183.339 3.440 10 0 AGAERO C=C/C=C\CC[N@@H+]1[C@@H](C)CCC[C@H]1C 1615451114 1170809645 /nfs/dbraw/zinc/80/96/45/1170809645.db2.gz LFQDVXUNILUEDI-QXXLOIIESA-N 1 0 193.334 3.382 10 0 AGAERO C=C/C=C\CC[N@H+]1CC[C@H](C(C)C)C1 1615861886 1170809798 /nfs/dbraw/zinc/80/97/98/1170809798.db2.gz PXSPBENMEMWYKR-SZZPACECSA-N 1 0 193.334 3.097 10 0 AGAERO CC[C@@H]1C[C@H]1C[N@@H+]1CCCCC[C@@H]1C 1617338000 1170810425 /nfs/dbraw/zinc/81/04/25/1170810425.db2.gz CWNSQRYLIXISLD-XQQFMLRXSA-N 1 0 195.350 3.297 10 0 AGAERO C=C/C=C/CC[N@@H+](CC)CC1CCC1 1617482761 1170810466 /nfs/dbraw/zinc/81/04/66/1170810466.db2.gz DNARHEPOINIPQE-AATRIKPKSA-N 1 0 193.334 3.241 10 0 AGAERO CC[C@@H]1C[C@H]1C[N@@H+]1CCCCC[C@H]1C 1617337999 1170812032 /nfs/dbraw/zinc/81/20/32/1170812032.db2.gz CWNSQRYLIXISLD-UPJWGTAASA-N 1 0 195.350 3.297 10 0 AGAERO C=C/C=C\CC[N@@H+](CC)CC1CCC1 1617482762 1170813687 /nfs/dbraw/zinc/81/36/87/1170813687.db2.gz DNARHEPOINIPQE-WAYWQWQTSA-N 1 0 193.334 3.241 10 0 AGAERO CCC(C)(C)CC[NH+](C1CC1)C1CC1 1620432294 1170814997 /nfs/dbraw/zinc/81/49/97/1170814997.db2.gz YPFGYUDQAJKSLC-UHFFFAOYSA-N 1 0 195.350 3.440 10 0 AGAERO C[C@@H]1CC(C)(C)C[N@@H+]1CC1=CCCC1 1618583278 1170815931 /nfs/dbraw/zinc/81/59/31/1170815931.db2.gz ROTNIAOLNDDFJR-LLVKDONJSA-N 1 0 193.334 3.217 10 0 AGAERO C[C@H]1CC(C)(C)C[N@@H+]1CC1=CCCC1 1618583279 1170816099 /nfs/dbraw/zinc/81/60/99/1170816099.db2.gz ROTNIAOLNDDFJR-NSHDSACASA-N 1 0 193.334 3.217 10 0 AGAERO CCC(C)(C)CC[N@@H+]1CC2CC1(C)C2 1620444277 1170816344 /nfs/dbraw/zinc/81/63/44/1170816344.db2.gz YRLFBYREKLBXBE-UHFFFAOYSA-N 1 0 195.350 3.297 10 0 AGAERO CCC(C)(C)[C@H](C)[NH2+]CC1CC(C)C1 1620414070 1170816552 /nfs/dbraw/zinc/81/65/52/1170816552.db2.gz PAWAAJHYLULUQU-CXQJBGSLSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[N@@H+]1CCC[C@@H](C2CCC2)CC1 1620525363 1170817084 /nfs/dbraw/zinc/81/70/84/1170817084.db2.gz JZXDORDOABTGQM-CYBMUJFWSA-N 1 0 195.350 3.299 10 0 AGAERO CCC1(CC)CCC[N@@H+]1CC1CC1 1620555165 1170817143 /nfs/dbraw/zinc/81/71/43/1170817143.db2.gz UYHYYRAXPHQWMS-UHFFFAOYSA-N 1 0 181.323 3.051 10 0 AGAERO CC/C=C/CC[N@H+](C)C[C@H]1CC1(C)C 1620455613 1170817873 /nfs/dbraw/zinc/81/78/73/1170817873.db2.gz VPBIKXYQKUINDY-NNNHXZLVSA-N 1 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CC[C@@H]1CCCC[C@@H]1CCC[NH2+]C 70743388 571748162 /nfs/dbraw/zinc/74/81/62/571748162.db2.gz MQWGQZLEONLABM-VXGBXAGGSA-N 1 0 183.339 3.202 10 0 AGAERO CCCCC[C@H]1CC[C@@H](CC)[NH2+]1 13437506 571748164 /nfs/dbraw/zinc/74/81/64/571748164.db2.gz LJQWKQLTDIWXEV-MNOVXSKESA-N 1 0 169.312 3.097 10 0 AGAERO CCCCCC[C@H]1CC[C@H]([NH3+])C1 70740943 571748232 /nfs/dbraw/zinc/74/82/32/571748232.db2.gz KREDYGPWRZVZDE-QWRGUYRKSA-N 1 0 169.312 3.084 10 0 AGAERO CCCCCC[C@@H]1CCC[C@H]([NH3+])C1 70741366 571748242 /nfs/dbraw/zinc/74/82/42/571748242.db2.gz LBJKDVFCNSAKGZ-NEPJUHHUSA-N 1 0 183.339 3.474 10 0 AGAERO CC[C@@H]1CCC[C@@H](CCC[NH2+]C)C1 70743384 571748246 /nfs/dbraw/zinc/74/82/46/571748246.db2.gz CHUJWPZRSWVSFU-NEPJUHHUSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@H]1CCCC[C@@H]1CCC[NH2+]C 70743389 571748260 /nfs/dbraw/zinc/74/82/60/571748260.db2.gz MQWGQZLEONLABM-NWDGAFQWSA-N 1 0 183.339 3.202 10 0 AGAERO [NH3+][C@@H](CCCC1CCCCC1)C1CC1 70743221 571748297 /nfs/dbraw/zinc/74/82/97/571748297.db2.gz HMKZCIQDFWWKDI-ZDUSSCGKSA-N 1 0 195.350 3.474 10 0 AGAERO CC[C@H]([NH3+])CC[C@@H]1CCC[C@H](C)C1 70742670 571748309 /nfs/dbraw/zinc/74/83/09/571748309.db2.gz SPCOXBARVNERJT-SRVKXCTJSA-N 1 0 183.339 3.330 10 0 AGAERO CCCCCC[C@@H]1CC[C@@H]([NH3+])C1 70740944 571748322 /nfs/dbraw/zinc/74/83/22/571748322.db2.gz KREDYGPWRZVZDE-GHMZBOCLSA-N 1 0 169.312 3.084 10 0 AGAERO CC(C)[C@@H]([NH3+])CCCC1CCCC1 70742964 571748352 /nfs/dbraw/zinc/74/83/52/571748352.db2.gz BLQUXPOQLKQPCV-LBPRGKRZSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@H]([NH3+])CCCCC(C)(C)C 70742701 571748361 /nfs/dbraw/zinc/74/83/61/571748361.db2.gz AREJPZCPCZJEIN-JTQLQIEISA-N 1 0 171.328 3.330 10 0 AGAERO CCCCC[C@@H]1CC[C@@H](CC)[NH2+]1 13437503 571748362 /nfs/dbraw/zinc/74/83/62/571748362.db2.gz LJQWKQLTDIWXEV-GHMZBOCLSA-N 1 0 169.312 3.097 10 0 AGAERO CC[C@@H](C)CCC[C@@H]([NH3+])C(C)C 70742958 571748367 /nfs/dbraw/zinc/74/83/67/571748367.db2.gz VZKIJBGBFLUNTJ-GHMZBOCLSA-N 1 0 171.328 3.186 10 0 AGAERO CC[NH2+]CCC[C@@H]1CCC[C@@H](C)C1 70743428 571748376 /nfs/dbraw/zinc/74/83/76/571748376.db2.gz DSRPFTFKKNKVOT-NEPJUHHUSA-N 1 0 183.339 3.202 10 0 AGAERO CCC[C@H](C)CCC[C@H]([NH3+])C1CC1 70743228 571748398 /nfs/dbraw/zinc/74/83/98/571748398.db2.gz YECNIKWYSRWMQL-JQWIXIFHSA-N 1 0 183.339 3.330 10 0 AGAERO C[C@H]1CCC[C@@H](CCC[NH2+]C2CC2)C1 70743551 571748610 /nfs/dbraw/zinc/74/86/10/571748610.db2.gz LUIZYWFWZUOALS-RYUDHWBXSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H]1CCC[C@H](CC[C@@H](C)[NH3+])C1 70740702 571748414 /nfs/dbraw/zinc/74/84/14/571748414.db2.gz ANJMZXDWAIFIOF-IJLUTSLNSA-N 1 0 183.339 3.330 10 0 AGAERO CCCCC[C@H]1CCCC[C@@H]([NH3+])C1 70742229 571748422 /nfs/dbraw/zinc/74/84/22/571748422.db2.gz ILUBNSNNBWZDDS-NWDGAFQWSA-N 1 0 183.339 3.474 10 0 AGAERO CCCCC[C@H]1CCC[C@@H]([NH3+])C1 70741426 571748424 /nfs/dbraw/zinc/74/84/24/571748424.db2.gz HJDUSBYJYMMDAT-WDEREUQCSA-N 1 0 169.312 3.084 10 0 AGAERO C[C@@H]1CCC[C@@H](CCC[NH2+]C2CC2)C1 70743550 571748427 /nfs/dbraw/zinc/74/84/27/571748427.db2.gz LUIZYWFWZUOALS-NEPJUHHUSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@@H](C)CCC[C@H]([NH3+])C1CC1 70743227 571748428 /nfs/dbraw/zinc/74/84/28/571748428.db2.gz YECNIKWYSRWMQL-PWSUYJOCSA-N 1 0 183.339 3.330 10 0 AGAERO CC(C)CCCC[C@H]([NH3+])C(C)C 70743059 571748446 /nfs/dbraw/zinc/74/84/46/571748446.db2.gz XMCGLYWQHYNFKZ-NSHDSACASA-N 1 0 171.328 3.186 10 0 AGAERO CC(C)(C)CCCC[C@@H]([NH3+])C1CC1 70743192 571748613 /nfs/dbraw/zinc/74/86/13/571748613.db2.gz ZQQALWZDOQGRAK-LLVKDONJSA-N 1 0 183.339 3.330 10 0 AGAERO CC[NH2+]CCC[C@H]1CCC[C@H](C)C1 70743427 571748470 /nfs/dbraw/zinc/74/84/70/571748470.db2.gz DSRPFTFKKNKVOT-NWDGAFQWSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@H]([NH3+])CCCC1CCCC1 70742613 571748475 /nfs/dbraw/zinc/74/84/75/571748475.db2.gz IZZKVHPJOKHZEX-NSHDSACASA-N 1 0 169.312 3.084 10 0 AGAERO CC[C@H]1CCCC[C@H]1CCC[NH2+]C 70743391 571748500 /nfs/dbraw/zinc/74/85/00/571748500.db2.gz MQWGQZLEONLABM-RYUDHWBXSA-N 1 0 183.339 3.202 10 0 AGAERO CCCCC[C@@H]1CCC[C@H]([NH3+])C1 70741422 571748504 /nfs/dbraw/zinc/74/85/04/571748504.db2.gz HJDUSBYJYMMDAT-MNOVXSKESA-N 1 0 169.312 3.084 10 0 AGAERO CC[C@H]1CCCC[C@H]1CC[C@@H](C)[NH3+] 70740727 571748506 /nfs/dbraw/zinc/74/85/06/571748506.db2.gz ABLBZNWELAAKOZ-WOPDTQHZSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H]([NH3+])CCCc1cccc(C)c1 70742637 571748601 /nfs/dbraw/zinc/74/86/01/571748601.db2.gz KFQJUFRYQIWCFL-CYBMUJFWSA-N 1 0 191.318 3.055 10 0 AGAERO CC[C@H]1CCC[C@@H](CC[C@@H](C)[NH3+])C1 70740708 571748604 /nfs/dbraw/zinc/74/86/04/571748604.db2.gz ANJMZXDWAIFIOF-WOPDTQHZSA-N 1 0 183.339 3.330 10 0 AGAERO CCCCC[C@H]1CCCC[C@H]([NH3+])C1 70742227 571748620 /nfs/dbraw/zinc/74/86/20/571748620.db2.gz ILUBNSNNBWZDDS-RYUDHWBXSA-N 1 0 183.339 3.474 10 0 AGAERO CC[C@H]([NH3+])CCCc1ccc(C)cc1 70742628 571748665 /nfs/dbraw/zinc/74/86/65/571748665.db2.gz RPXADFSZGQCWRB-ZDUSSCGKSA-N 1 0 191.318 3.055 10 0 AGAERO CC[C@H](C)CCC[C@H]([NH3+])C(C)C 70742892 571748710 /nfs/dbraw/zinc/74/87/10/571748710.db2.gz VZKIJBGBFLUNTJ-QWRGUYRKSA-N 1 0 171.328 3.186 10 0 AGAERO CC[C@H]([NH3+])CCCC1CCCCC1 70742761 571748717 /nfs/dbraw/zinc/74/87/17/571748717.db2.gz URAOQBPUXQYIEP-LBPRGKRZSA-N 1 0 183.339 3.474 10 0 AGAERO CC[C@H]1CCC[C@@H]([C@@H]2CC[C@@H]([NH3+])C2)C1 227154130 571748795 /nfs/dbraw/zinc/74/87/95/571748795.db2.gz VOALHAKMIJBLEQ-UMSGYPCISA-N 1 0 195.350 3.330 10 0 AGAERO C[C@@H]1CCC[C@H](CCC[NH2+]C2CC2)C1 70743548 571748841 /nfs/dbraw/zinc/74/88/41/571748841.db2.gz LUIZYWFWZUOALS-VXGBXAGGSA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)(C)CCCC[C@H]([NH3+])C1CC1 70743191 571748861 /nfs/dbraw/zinc/74/88/61/571748861.db2.gz ZQQALWZDOQGRAK-NSHDSACASA-N 1 0 183.339 3.330 10 0 AGAERO CCC[C@@H](C)CCC[C@@H]([NH3+])C1CC1 70743229 571748946 /nfs/dbraw/zinc/74/89/46/571748946.db2.gz YECNIKWYSRWMQL-ZYHUDNBSSA-N 1 0 183.339 3.330 10 0 AGAERO CC(C)CCCC[C@@H]([NH3+])C(C)C 70743060 571749015 /nfs/dbraw/zinc/74/90/15/571749015.db2.gz XMCGLYWQHYNFKZ-LLVKDONJSA-N 1 0 171.328 3.186 10 0 AGAERO CCC[C@H](C)C[C@@H]1CCC[C@H]([NH3+])C1 70741677 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AAYBBHOMIBFYKS-BLFANLJRSA-N 1 0 197.366 3.432 10 0 AGAERO CC[C@@H](C)[C@H]([NH3+])C1(C)CCCCC1 233855945 571749313 /nfs/dbraw/zinc/74/93/13/571749313.db2.gz JOKLMYIBIFLSLG-MNOVXSKESA-N 1 0 183.339 3.330 10 0 AGAERO C[C@@H]1C[C@]([NH3+])(C[C@@H](C)C(C)(C)C)[C@@H]1C 710825588 571749401 /nfs/dbraw/zinc/74/94/01/571749401.db2.gz AAYBBHOMIBFYKS-UZWSLXQKSA-N 1 0 197.366 3.432 10 0 AGAERO CCC[C@@H](C)C[C@H]1CC[C@H]([NH2+]C)C1 70744307 571749442 /nfs/dbraw/zinc/74/94/42/571749442.db2.gz VFEGLPGQEMVLBV-UTUOFQBUSA-N 1 0 183.339 3.201 10 0 AGAERO CCCCC[C@@H]1CCC[C@@H]([NH2+]C)C1 70744927 571749453 /nfs/dbraw/zinc/74/94/53/571749453.db2.gz NVKKJMMKWOPYPC-VXGBXAGGSA-N 1 0 183.339 3.345 10 0 AGAERO CCC[NH2+][C@@H]1CC[C@@H](C2CCCC2)C1 70744795 571749481 /nfs/dbraw/zinc/74/94/81/571749481.db2.gz DMCXOCYOSKXQIV-CHWSQXEVSA-N 1 0 195.350 3.345 10 0 AGAERO CCCCC[C@@H]1CCC[C@H]([NH2+]C)C1 70744925 571749496 /nfs/dbraw/zinc/74/94/96/571749496.db2.gz NVKKJMMKWOPYPC-NEPJUHHUSA-N 1 0 183.339 3.345 10 0 AGAERO 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183.339 3.330 10 0 AGAERO CC(C)C[C@@H](C)C[C@@]1(C)CCC[NH2+]1 300923580 572062894 /nfs/dbraw/zinc/06/28/94/572062894.db2.gz NBIGGEPYVVSGPK-VXGBXAGGSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)[C@@H]([NH3+])CCC1CCCCC1 36684033 572062985 /nfs/dbraw/zinc/06/29/85/572062985.db2.gz XZUCZOQZQDSMID-LBPRGKRZSA-N 1 0 183.339 3.330 10 0 AGAERO CCC[C@@H]([NH3+])CCCc1cccs1 82602478 572063652 /nfs/dbraw/zinc/06/36/52/572063652.db2.gz LFBJALDEKVXOEL-SNVBAGLBSA-N 1 0 197.347 3.198 10 0 AGAERO CC(C)C[C@H](C)C[C@@H]1CC[NH2+][C@H](C)C1 300923605 572063128 /nfs/dbraw/zinc/06/31/28/572063128.db2.gz NBSJPXSAXRDAMB-XQQFMLRXSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H](CCc1cccs1)[C@@H](C)[NH3+] 82602529 572063261 /nfs/dbraw/zinc/06/32/61/572063261.db2.gz SEVOIMVNQOFQLH-ZJUUUORDSA-N 1 0 197.347 3.054 10 0 AGAERO CCC[C@H](C[NH3+])CCc1cccs1 82603467 572063375 /nfs/dbraw/zinc/06/33/75/572063375.db2.gz GHMGQFXGUOODSS-JTQLQIEISA-N 1 0 197.347 3.056 10 0 AGAERO CC[C@](C)(C[NH3+])CCc1cccs1 82603601 572063416 /nfs/dbraw/zinc/06/34/16/572063416.db2.gz IHUCALYOUGXFPN-NSHDSACASA-N 1 0 197.347 3.056 10 0 AGAERO CC[C@H](CCc1cccs1)[C@@H](C)[NH3+] 82602530 572063431 /nfs/dbraw/zinc/06/34/31/572063431.db2.gz SEVOIMVNQOFQLH-NXEZZACHSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@@H](CCc1cccs1)[C@H](C)[NH3+] 82602531 572063517 /nfs/dbraw/zinc/06/35/17/572063517.db2.gz SEVOIMVNQOFQLH-UWVGGRQHSA-N 1 0 197.347 3.054 10 0 AGAERO CCCC[C@H](C)[C@H]([NH3+])[C@H](C)CC 300924223 572063580 /nfs/dbraw/zinc/06/35/80/572063580.db2.gz LQUCAJMCWPYNIT-OUAUKWLOSA-N 1 0 171.328 3.186 10 0 AGAERO CC(C)C[C@H]([NH3+])CCc1cccs1 82602861 572063702 /nfs/dbraw/zinc/06/37/02/572063702.db2.gz DKPSHBLFTNPHHF-SNVBAGLBSA-N 1 0 197.347 3.054 10 0 AGAERO CC(C)CCC[C@H]([NH3+])C(C)(C)C 36683887 572063714 /nfs/dbraw/zinc/06/37/14/572063714.db2.gz HERRLJPNRWFGRY-JTQLQIEISA-N 1 0 171.328 3.186 10 0 AGAERO CC[C@@H](CCCc1cccs1)[NH2+]C 82602505 572063715 /nfs/dbraw/zinc/06/37/15/572063715.db2.gz GSJXLJUZTKWPAA-JTQLQIEISA-N 1 0 197.347 3.069 10 0 AGAERO CC(C)[C@@H]([NH3+])CCCc1cccs1 82602484 572063775 /nfs/dbraw/zinc/06/37/75/572063775.db2.gz MQQJGCBRMMDVFM-NSHDSACASA-N 1 0 197.347 3.054 10 0 AGAERO CCC[C@@H](C[NH3+])CCc1cccs1 82603469 572063807 /nfs/dbraw/zinc/06/38/07/572063807.db2.gz GHMGQFXGUOODSS-SNVBAGLBSA-N 1 0 197.347 3.056 10 0 AGAERO CC[C@@](C)(C[NH3+])CCc1cccs1 82603603 572063996 /nfs/dbraw/zinc/06/39/96/572063996.db2.gz IHUCALYOUGXFPN-LLVKDONJSA-N 1 0 197.347 3.056 10 0 AGAERO CC[C@H](CCCc1cccs1)[NH2+]C 82602506 572064026 /nfs/dbraw/zinc/06/40/26/572064026.db2.gz GSJXLJUZTKWPAA-SNVBAGLBSA-N 1 0 197.347 3.069 10 0 AGAERO CCCC[C@H](C)[C@H]([NH3+])[C@@H](C)CC 300924222 572064080 /nfs/dbraw/zinc/06/40/80/572064080.db2.gz LQUCAJMCWPYNIT-GARJFASQSA-N 1 0 171.328 3.186 10 0 AGAERO CCCC[C@H](C)[C@@H]([NH3+])[C@@H](C)CC 300924219 572064212 /nfs/dbraw/zinc/06/42/12/572064212.db2.gz LQUCAJMCWPYNIT-DCAQKATOSA-N 1 0 171.328 3.186 10 0 AGAERO CC(C)[C@H]([NH3+])CCCc1cccs1 82602483 572064286 /nfs/dbraw/zinc/06/42/86/572064286.db2.gz MQQJGCBRMMDVFM-LLVKDONJSA-N 1 0 197.347 3.054 10 0 AGAERO CCC([NH3+])(CC)CCc1cccs1 82602718 572064375 /nfs/dbraw/zinc/06/43/75/572064375.db2.gz PPYLXPKFCNMWFB-UHFFFAOYSA-N 1 0 197.347 3.198 10 0 AGAERO CC[C@H]([NH3+])[C@@H](C)CCc1cccs1 82602611 572064480 /nfs/dbraw/zinc/06/44/80/572064480.db2.gz ZKAMPEDBZOZUGA-ONGXEEELSA-N 1 0 197.347 3.054 10 0 AGAERO CC[NH2+][C@@H](C)CCCc1cccs1 82602491 572064497 /nfs/dbraw/zinc/06/44/97/572064497.db2.gz JIVRGEZMCPVZGJ-JTQLQIEISA-N 1 0 197.347 3.069 10 0 AGAERO [NH3+]C1CCCCCCCCCC1 34200540 572064518 /nfs/dbraw/zinc/06/45/18/572064518.db2.gz YCEFCHDUDSUVRU-UHFFFAOYSA-N 1 0 169.312 3.228 10 0 AGAERO CC[C@@H](C)[C@H]([NH3+])CCc1cccs1 82603046 572064584 /nfs/dbraw/zinc/06/45/84/572064584.db2.gz YGJPWPXLJHMYPO-MWLCHTKSSA-N 1 0 197.347 3.054 10 0 AGAERO CC(C)C[C@@H]([NH3+])CCc1cccs1 82602862 572064621 /nfs/dbraw/zinc/06/46/21/572064621.db2.gz DKPSHBLFTNPHHF-JTQLQIEISA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@H]([NH3+])[C@H](C)CCc1cccs1 82602613 572064801 /nfs/dbraw/zinc/06/48/01/572064801.db2.gz ZKAMPEDBZOZUGA-KOLCDFICSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@H](CCc1cccs1)[C@H](C)[NH3+] 82602532 572064929 /nfs/dbraw/zinc/06/49/29/572064929.db2.gz SEVOIMVNQOFQLH-VHSXEESVSA-N 1 0 197.347 3.054 10 0 AGAERO CC(C)[C@](C)([NH3+])CCc1cccs1 82602719 572065086 /nfs/dbraw/zinc/06/50/86/572065086.db2.gz SIGQGAGLELNXLP-LLVKDONJSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@H](C)[C@@H]([NH3+])CCc1cccs1 82603054 572065092 /nfs/dbraw/zinc/06/50/92/572065092.db2.gz YGJPWPXLJHMYPO-ONGXEEELSA-N 1 0 197.347 3.054 10 0 AGAERO CC[NH2+][C@H](C)CCCc1cccs1 82602492 572065107 /nfs/dbraw/zinc/06/51/07/572065107.db2.gz JIVRGEZMCPVZGJ-SNVBAGLBSA-N 1 0 197.347 3.069 10 0 AGAERO CC[C@@H]([NH3+])[C@H](C)CCc1cccs1 82602614 572065155 /nfs/dbraw/zinc/06/51/55/572065155.db2.gz ZKAMPEDBZOZUGA-MWLCHTKSSA-N 1 0 197.347 3.054 10 0 AGAERO CC(C)[C@@](C)([NH3+])CCc1cccs1 82602720 572065187 /nfs/dbraw/zinc/06/51/87/572065187.db2.gz SIGQGAGLELNXLP-NSHDSACASA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])CCc1cccs1 82603048 572065299 /nfs/dbraw/zinc/06/52/99/572065299.db2.gz YGJPWPXLJHMYPO-GXSJLCMTSA-N 1 0 197.347 3.054 10 0 AGAERO CCCC[C@H](C)[C@@H]([NH3+])[C@H](C)CC 300924224 572065315 /nfs/dbraw/zinc/06/53/15/572065315.db2.gz LQUCAJMCWPYNIT-VWYCJHECSA-N 1 0 171.328 3.186 10 0 AGAERO CC[C@@H](C)[C@@H]([NH3+])CCc1cccs1 82603052 572065397 /nfs/dbraw/zinc/06/53/97/572065397.db2.gz YGJPWPXLJHMYPO-KOLCDFICSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@@H]([NH3+])Cc1ccc2ccccc2c1 36778995 572065581 /nfs/dbraw/zinc/06/55/81/572065581.db2.gz XIQJOVQWLXXVRX-CQSZACIVSA-N 1 0 199.297 3.120 10 0 AGAERO CC[C@@H]([NH3+])Cc1ccc(C(C)C)cc1 36778840 572065598 /nfs/dbraw/zinc/06/55/98/572065598.db2.gz PAUZSYAZLMEZGU-CYBMUJFWSA-N 1 0 191.318 3.090 10 0 AGAERO CC[C@H]([NH3+])Cc1ccc(C(C)C)cc1 36778839 572067208 /nfs/dbraw/zinc/06/72/08/572067208.db2.gz PAUZSYAZLMEZGU-ZDUSSCGKSA-N 1 0 191.318 3.090 10 0 AGAERO CC[C@H]([NH3+])Cc1cccc2ccccc12 36778967 572068010 /nfs/dbraw/zinc/06/80/10/572068010.db2.gz IUILUWCKVUMDJB-ZDUSSCGKSA-N 1 0 199.297 3.120 10 0 AGAERO CCCC[C@@H](CCCC(F)F)[NH2+]C 687889646 572069557 /nfs/dbraw/zinc/06/95/57/572069557.db2.gz IHAHTWANKLIWQD-VIFPVBQESA-N 1 0 193.281 3.200 10 0 AGAERO CCCC[C@H](CCCC(F)F)[NH2+]C 687889645 572070710 /nfs/dbraw/zinc/07/07/10/572070710.db2.gz IHAHTWANKLIWQD-SECBINFHSA-N 1 0 193.281 3.200 10 0 AGAERO CC(C)([NH3+])CCCC1CCCCC1 78455644 572072228 /nfs/dbraw/zinc/07/22/28/572072228.db2.gz AUKOODTWCKZKKO-UHFFFAOYSA-N 1 0 183.339 3.474 10 0 AGAERO CCC[C@@H]([NH3+])[C@H]1CCCC[C@@H]1CC 82658439 572073645 /nfs/dbraw/zinc/07/36/45/572073645.db2.gz DWUUDLHIOJYWTM-SDDRHHMPSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[C@@H](CC)[NH2+]C 82658480 572073756 /nfs/dbraw/zinc/07/37/56/572073756.db2.gz VOXZTQVKJMUEHL-GRYCIOLGSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH2+]C)C1CC1 82658518 572073778 /nfs/dbraw/zinc/07/37/78/572073778.db2.gz SRICJVDVACQLBW-RAIGVLPGSA-N 1 0 195.350 3.201 10 0 AGAERO CC1(C[NH2+]CC2CCCC2)CCCC1 82619090 572073840 /nfs/dbraw/zinc/07/38/40/572073840.db2.gz UPWXVVKDTUZSLM-UHFFFAOYSA-N 1 0 195.350 3.347 10 0 AGAERO C[C@H]1C[C@@H]([NH3+])c2ccc3ccccc3c21 82617991 572073917 /nfs/dbraw/zinc/07/39/17/572073917.db2.gz RBAVVWUYMKRZOO-TVQRCGJNSA-N 1 0 197.281 3.347 10 0 AGAERO CCC[C@@]1(C)CCC[C@@](C)([NH3+])C1 34333920 572074086 /nfs/dbraw/zinc/07/40/86/572074086.db2.gz BADMBUCXLGEWNJ-WDEREUQCSA-N 1 0 169.312 3.084 10 0 AGAERO CC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1CC 82658499 572074080 /nfs/dbraw/zinc/07/40/80/572074080.db2.gz SDRZNIZPXSKFTP-WOPDTQHZSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1CC 82658498 572074156 /nfs/dbraw/zinc/07/41/56/572074156.db2.gz SDRZNIZPXSKFTP-UTUOFQBUSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH2+]C)C(C)C 82658470 572074227 /nfs/dbraw/zinc/07/42/27/572074227.db2.gz MGZGRZPQNHHWSY-JHJVBQTASA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1CC 82658497 572074394 /nfs/dbraw/zinc/07/43/94/572074394.db2.gz SDRZNIZPXSKFTP-GRYCIOLGSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[NH2+]C[C@@H]1[C@@H]([C@H](C)CC)C1(C)C 300926696 572074448 /nfs/dbraw/zinc/07/44/48/572074448.db2.gz FFQLMJCXJLMGDZ-IJLUTSLNSA-N 1 0 197.366 3.304 10 0 AGAERO CCC[C@]1(C)CCC[C@](C)([NH3+])C1 34333922 572074485 /nfs/dbraw/zinc/07/44/85/572074485.db2.gz BADMBUCXLGEWNJ-MNOVXSKESA-N 1 0 169.312 3.084 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[C@H]([NH2+]C)C1CC1 82658516 572074488 /nfs/dbraw/zinc/07/44/88/572074488.db2.gz SRICJVDVACQLBW-KGYLQXTDSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+]C1(C)CC(C)(C)CC(C)(C)C1 34334096 572074531 /nfs/dbraw/zinc/07/45/31/572074531.db2.gz RUUUZPJNWLBOMQ-UHFFFAOYSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@]1(C)CCC[C@@](C)([NH3+])C1 34333918 572074538 /nfs/dbraw/zinc/07/45/38/572074538.db2.gz BADMBUCXLGEWNJ-GHMZBOCLSA-N 1 0 169.312 3.084 10 0 AGAERO CC[NH2+][C@H](C)[C@H]1CCCC[C@H]1CC 82658496 572074566 /nfs/dbraw/zinc/07/45/66/572074566.db2.gz SDRZNIZPXSKFTP-IJLUTSLNSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@H](CCCC(F)F)CC(C)C 687889684 572074581 /nfs/dbraw/zinc/07/45/81/572074581.db2.gz ITCVQBUIGOANSJ-SECBINFHSA-N 1 0 193.281 3.056 10 0 AGAERO CCC[NH2+]C[C@@H]1[C@@H]([C@@H](C)CC)C1(C)C 300926698 572074648 /nfs/dbraw/zinc/07/46/48/572074648.db2.gz FFQLMJCXJLMGDZ-QJPTWQEYSA-N 1 0 197.366 3.304 10 0 AGAERO C[C@H]1C[C@H]([NH3+])c2ccc3ccccc3c21 82617989 572074660 /nfs/dbraw/zinc/07/46/60/572074660.db2.gz RBAVVWUYMKRZOO-ZANVPECISA-N 1 0 197.281 3.347 10 0 AGAERO CCC[C@@H]([NH3+])[C@@H]1CCCC[C@@H]1CC 82658437 572074589 /nfs/dbraw/zinc/07/45/89/572074589.db2.gz DWUUDLHIOJYWTM-QJPTWQEYSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[C@H]([NH2+]C)C(C)C 82658468 572074767 /nfs/dbraw/zinc/07/47/67/572074767.db2.gz MGZGRZPQNHHWSY-FRRDWIJNSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H]([NH3+])[C@H]1CCCC[C@@H]1CC 82658438 572074798 /nfs/dbraw/zinc/07/47/98/572074798.db2.gz DWUUDLHIOJYWTM-SRVKXCTJSA-N 1 0 183.339 3.330 10 0 AGAERO CCC[C@H](C)[NH2+]CC1(C)CCCC1 82619164 572074866 /nfs/dbraw/zinc/07/48/66/572074866.db2.gz JLHQQEZJJYACMD-NSHDSACASA-N 1 0 183.339 3.345 10 0 AGAERO C[C@@H]1C[C@H]([NH3+])c2ccc3ccccc3c21 82617988 572074881 /nfs/dbraw/zinc/07/48/81/572074881.db2.gz RBAVVWUYMKRZOO-RNCFNFMXSA-N 1 0 197.281 3.347 10 0 AGAERO CCC[NH2+]C[C@@H]1[C@H]([C@H](C)CC)C1(C)C 300926701 572074905 /nfs/dbraw/zinc/07/49/05/572074905.db2.gz FFQLMJCXJLMGDZ-UTUOFQBUSA-N 1 0 197.366 3.304 10 0 AGAERO CC[C@H]1CCCC[C@H]1[C@@H](CC)[NH2+]C 82658483 572075028 /nfs/dbraw/zinc/07/50/28/572075028.db2.gz VOXZTQVKJMUEHL-QJPTWQEYSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@@H]1C[C@@H]([NH3+])c2ccc3ccccc3c21 82617990 572075061 /nfs/dbraw/zinc/07/50/61/572075061.db2.gz RBAVVWUYMKRZOO-NOZJJQNGSA-N 1 0 197.281 3.347 10 0 AGAERO C[C@@H]([NH2+]CC1(C)CCCC1)C1(C)CC1 82619143 572075064 /nfs/dbraw/zinc/07/50/64/572075064.db2.gz KQHNFONSOIXBOV-LLVKDONJSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@@H](C)[NH2+]CC1(C)CCCC1 82619163 572075069 /nfs/dbraw/zinc/07/50/69/572075069.db2.gz JLHQQEZJJYACMD-LLVKDONJSA-N 1 0 183.339 3.345 10 0 AGAERO CC[C@H]1CCCC[C@@H]1[C@@H](CC)[NH2+]C 82658481 572075125 /nfs/dbraw/zinc/07/51/25/572075125.db2.gz VOXZTQVKJMUEHL-SDDRHHMPSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@H]([NH3+])[C@@H]1CCCC[C@@H]1CC 82658436 572075172 /nfs/dbraw/zinc/07/51/72/572075172.db2.gz DWUUDLHIOJYWTM-TUAOUCFPSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H]1CCCC[C@H]1[C@@H](CC)[NH2+]C 82658482 572075473 /nfs/dbraw/zinc/07/54/73/572075473.db2.gz VOXZTQVKJMUEHL-IJLUTSLNSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@H]([NH2+]CC1(C)CCCC1)C1(C)CC1 82619142 572075504 /nfs/dbraw/zinc/07/55/04/572075504.db2.gz KQHNFONSOIXBOV-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO CCC[NH2+]C[C@@H]1[C@H]([C@@H](C)CC)C1(C)C 300926699 572075572 /nfs/dbraw/zinc/07/55/72/572075572.db2.gz FFQLMJCXJLMGDZ-TUAOUCFPSA-N 1 0 197.366 3.304 10 0 AGAERO CCC[C@@]1(C)CCC[C@](C)([NH3+])C1 34333924 572075663 /nfs/dbraw/zinc/07/56/63/572075663.db2.gz BADMBUCXLGEWNJ-QWRGUYRKSA-N 1 0 169.312 3.084 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)C(C)C 82630964 572075953 /nfs/dbraw/zinc/07/59/53/572075953.db2.gz BXSDUUTXBDRYAQ-WDEREUQCSA-N 1 0 185.355 3.445 10 0 AGAERO C[C@@H](C[C@@H]([NH3+])c1ccco1)C(C)(C)C 82628215 572075955 /nfs/dbraw/zinc/07/59/55/572075955.db2.gz PBEOEMUPVFQQND-VHSXEESVSA-N 1 0 195.306 3.352 10 0 AGAERO C[NH2+][C@@H](CCCC(F)F)CC(C)C 687889686 572075956 /nfs/dbraw/zinc/07/59/56/572075956.db2.gz ITCVQBUIGOANSJ-VIFPVBQESA-N 1 0 193.281 3.056 10 0 AGAERO CC(C)[NH2+]CC[C@H](C)C(C)(C)C 82628268 572076010 /nfs/dbraw/zinc/07/60/10/572076010.db2.gz ZVXVRELQPMSGHR-JTQLQIEISA-N 1 0 171.328 3.057 10 0 AGAERO CCC(CC)[C@H](C)[NH2+][C@H](C)C1CC1 82630913 572076109 /nfs/dbraw/zinc/07/61/09/572076109.db2.gz BUQPOOIVUPTCDZ-VHSXEESVSA-N 1 0 183.339 3.199 10 0 AGAERO CCC(CC)[C@H](C)[NH2+]CCC(C)C 82630798 572076138 /nfs/dbraw/zinc/07/61/38/572076138.db2.gz WQJDBMSDNQFQJJ-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO C[C@H](C[C@@H]([NH3+])C1=CCCC1)C(C)(C)C 82628248 572076140 /nfs/dbraw/zinc/07/61/40/572076140.db2.gz WMVYUINUTUAZTG-ZYHUDNBSSA-N 1 0 195.350 3.496 10 0 AGAERO CCC(CC)[C@H](C)[NH2+]C[C@H](C)CC 82630873 572076154 /nfs/dbraw/zinc/07/61/54/572076154.db2.gz FFHDAQYJEQEKRZ-MNOVXSKESA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)CC 82630973 572076159 /nfs/dbraw/zinc/07/61/59/572076159.db2.gz HEFXPXSOIDXMIR-VHSXEESVSA-N 1 0 171.328 3.199 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)C1CC1 82630910 572076269 /nfs/dbraw/zinc/07/62/69/572076269.db2.gz BUQPOOIVUPTCDZ-ZJUUUORDSA-N 1 0 183.339 3.199 10 0 AGAERO CCCC[NH2+][C@@H](C)C(CC)CC 82630920 572076312 /nfs/dbraw/zinc/07/63/12/572076312.db2.gz LTFYUJBRBPBICF-JTQLQIEISA-N 1 0 171.328 3.201 10 0 AGAERO CC[C@@]1(C)CC(C)(C)C[C@](C)([NH3+])C1 34380825 572076564 /nfs/dbraw/zinc/07/65/64/572076564.db2.gz JINZKAFNDLFUEW-RYUDHWBXSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)CC 82630971 572076357 /nfs/dbraw/zinc/07/63/57/572076357.db2.gz HEFXPXSOIDXMIR-UWVGGRQHSA-N 1 0 171.328 3.199 10 0 AGAERO CC[C@@H](C)[NH2+]CC[C@H](C)C(C)(C)C 82628299 572076363 /nfs/dbraw/zinc/07/63/63/572076363.db2.gz KNGWWWGEFYZRKQ-WDEREUQCSA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@H](C)[NH2+]CC[C@H](C)C(C)(C)C 82628300 572076373 /nfs/dbraw/zinc/07/63/73/572076373.db2.gz KNGWWWGEFYZRKQ-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO C[C@H](C[C@H]([NH3+])C1=CCCC1)C(C)(C)C 82628246 572076459 /nfs/dbraw/zinc/07/64/59/572076459.db2.gz WMVYUINUTUAZTG-PWSUYJOCSA-N 1 0 195.350 3.496 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+]C[C@H](C)CC 82630875 572076501 /nfs/dbraw/zinc/07/65/01/572076501.db2.gz FFHDAQYJEQEKRZ-GHMZBOCLSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)C1CC1 82630912 572076533 /nfs/dbraw/zinc/07/65/33/572076533.db2.gz BUQPOOIVUPTCDZ-NXEZZACHSA-N 1 0 183.339 3.199 10 0 AGAERO CC(C)C[NH2+]CC[C@@H](C)C(C)(C)C 82628271 572076536 /nfs/dbraw/zinc/07/65/36/572076536.db2.gz UGGCIFNMBOEPRO-LLVKDONJSA-N 1 0 185.355 3.304 10 0 AGAERO CCC(CC)[C@H](C)[NH2+]C1CCCC1 82631084 572076658 /nfs/dbraw/zinc/07/66/58/572076658.db2.gz RFOITTDXIIDOCZ-JTQLQIEISA-N 1 0 183.339 3.343 10 0 AGAERO CCC(CC)[C@H](C)[NH2+][C@H](C)C(C)C 82630967 572076583 /nfs/dbraw/zinc/07/65/83/572076583.db2.gz BXSDUUTXBDRYAQ-MNOVXSKESA-N 1 0 185.355 3.445 10 0 AGAERO CCCC[NH2+]CC[C@H](C)C(C)(C)C 82628274 572076618 /nfs/dbraw/zinc/07/66/18/572076618.db2.gz OWEBDGHGKRJEHO-NSHDSACASA-N 1 0 185.355 3.448 10 0 AGAERO CC(C)[NH2+]CC[C@@H](C)C(C)(C)C 82628267 572076706 /nfs/dbraw/zinc/07/67/06/572076706.db2.gz ZVXVRELQPMSGHR-SNVBAGLBSA-N 1 0 171.328 3.057 10 0 AGAERO CCC(CC)[C@H](C)Nc1cc[nH+]cc1 82633450 572077526 /nfs/dbraw/zinc/07/75/26/572077526.db2.gz UNIWYJFQRIKZKW-JTQLQIEISA-N 1 0 192.306 3.318 10 0 AGAERO CCC([NH3+])(CC)Cc1ccc(C)cc1 16810484 572076817 /nfs/dbraw/zinc/07/68/17/572076817.db2.gz BJAUPJAQVNONNU-UHFFFAOYSA-N 1 0 191.318 3.055 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccco1 82630857 572076825 /nfs/dbraw/zinc/07/68/25/572076825.db2.gz VSYGXKOHEBRZDK-SNVBAGLBSA-N 1 0 195.306 3.194 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+]CCC(C)C 82630797 572076843 /nfs/dbraw/zinc/07/68/43/572076843.db2.gz WQJDBMSDNQFQJJ-LLVKDONJSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[NH2+]CC[C@@H](C)C(C)(C)C 82628265 572076862 /nfs/dbraw/zinc/07/68/62/572076862.db2.gz UGNGFNOSKJVMRG-SNVBAGLBSA-N 1 0 171.328 3.058 10 0 AGAERO C[C@@H](C[C@@H]([NH3+])C1=CCCC1)C(C)(C)C 82628247 572076886 /nfs/dbraw/zinc/07/68/86/572076886.db2.gz WMVYUINUTUAZTG-CMPLNLGQSA-N 1 0 195.350 3.496 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)CC 82630972 572076890 /nfs/dbraw/zinc/07/68/90/572076890.db2.gz HEFXPXSOIDXMIR-NXEZZACHSA-N 1 0 171.328 3.199 10 0 AGAERO C[NH2+][C@@H](CCC(C)C)[C@H]1CC1(C)C 234392447 572076908 /nfs/dbraw/zinc/07/69/08/572076908.db2.gz CSUOLCVQTRCXRV-MNOVXSKESA-N 1 0 183.339 3.057 10 0 AGAERO C[C@@H](CC[NH2+]C(C)(C)C)C(C)(C)C 82628269 572076930 /nfs/dbraw/zinc/07/69/30/572076930.db2.gz LLHDJOCKUJJXEF-JTQLQIEISA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)C(C)C 82630965 572076936 /nfs/dbraw/zinc/07/69/36/572076936.db2.gz BXSDUUTXBDRYAQ-QWRGUYRKSA-N 1 0 185.355 3.445 10 0 AGAERO CCCCCC[C@@H]([NH3+])C(C)(C)C 36988340 572077016 /nfs/dbraw/zinc/07/70/16/572077016.db2.gz RGDIZXCMDAJZPY-SNVBAGLBSA-N 1 0 171.328 3.330 10 0 AGAERO C[C@H](C[C@@H]([NH3+])c1ccco1)C(C)(C)C 82628216 572077028 /nfs/dbraw/zinc/07/70/28/572077028.db2.gz PBEOEMUPVFQQND-NXEZZACHSA-N 1 0 195.306 3.352 10 0 AGAERO CC[C@]1(C)CC(C)(C)C[C@@](C)([NH3+])C1 34380822 572077097 /nfs/dbraw/zinc/07/70/97/572077097.db2.gz JINZKAFNDLFUEW-VXGBXAGGSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)C(C)C 82630966 572077098 /nfs/dbraw/zinc/07/70/98/572077098.db2.gz BXSDUUTXBDRYAQ-GHMZBOCLSA-N 1 0 185.355 3.445 10 0 AGAERO CCC[NH2+]CC[C@H](C)C(C)(C)C 82628266 572077129 /nfs/dbraw/zinc/07/71/29/572077129.db2.gz UGNGFNOSKJVMRG-JTQLQIEISA-N 1 0 171.328 3.058 10 0 AGAERO CC[C@H](C)[NH2+]CC[C@@H](C)C(C)(C)C 82628298 572077141 /nfs/dbraw/zinc/07/71/41/572077141.db2.gz KNGWWWGEFYZRKQ-MNOVXSKESA-N 1 0 185.355 3.447 10 0 AGAERO CCCC[NH2+]CC[C@@H](C)C(C)(C)C 82628273 572077182 /nfs/dbraw/zinc/07/71/82/572077182.db2.gz OWEBDGHGKRJEHO-LLVKDONJSA-N 1 0 185.355 3.448 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccoc1 82631334 572077197 /nfs/dbraw/zinc/07/71/97/572077197.db2.gz KXGVBIARRPDLET-SNVBAGLBSA-N 1 0 195.306 3.194 10 0 AGAERO CCC(CC)[C@H](C)[NH2+]Cc1ccoc1 82631337 572077217 /nfs/dbraw/zinc/07/72/17/572077217.db2.gz KXGVBIARRPDLET-JTQLQIEISA-N 1 0 195.306 3.194 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+]C1CCCC1 82631081 572077312 /nfs/dbraw/zinc/07/73/12/572077312.db2.gz RFOITTDXIIDOCZ-SNVBAGLBSA-N 1 0 183.339 3.343 10 0 AGAERO CCCC[NH2+][C@H](C)C(CC)CC 82630921 572077315 /nfs/dbraw/zinc/07/73/15/572077315.db2.gz LTFYUJBRBPBICF-SNVBAGLBSA-N 1 0 171.328 3.201 10 0 AGAERO C[C@H](CC[NH2+]C(C)(C)C)C(C)(C)C 82628270 572077317 /nfs/dbraw/zinc/07/73/17/572077317.db2.gz LLHDJOCKUJJXEF-SNVBAGLBSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)[C@@H](C)Nc1cc[nH+]cc1 82633447 572077330 /nfs/dbraw/zinc/07/73/30/572077330.db2.gz UNIWYJFQRIKZKW-SNVBAGLBSA-N 1 0 192.306 3.318 10 0 AGAERO CC[C@]1(C)CC(C)(C)C[C@](C)([NH3+])C1 34380824 572077412 /nfs/dbraw/zinc/07/74/12/572077412.db2.gz JINZKAFNDLFUEW-NEPJUHHUSA-N 1 0 183.339 3.330 10 0 AGAERO CCCC[C@@H](C)[C@H]([NH3+])CCC1CC1 300926788 572077418 /nfs/dbraw/zinc/07/74/18/572077418.db2.gz LXIRXQLEUUUBBC-ZYHUDNBSSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(CC)[C@H](C)N1CCCCC1=[NH2+] 82633291 572077511 /nfs/dbraw/zinc/07/75/11/572077511.db2.gz FKBWGDSULODGDW-JTQLQIEISA-N 1 0 196.338 3.274 10 0 AGAERO CCC(CC)[C@H](C)[NH2+]C[C@@H](C)CC 82630874 572077523 /nfs/dbraw/zinc/07/75/23/572077523.db2.gz FFHDAQYJEQEKRZ-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@@H](C)[NH2+]CC[C@@H](C)C(C)(C)C 82628297 572077544 /nfs/dbraw/zinc/07/75/44/572077544.db2.gz KNGWWWGEFYZRKQ-GHMZBOCLSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)[C@H](C)[NH2+][C@H](C)CC 82630970 572077613 /nfs/dbraw/zinc/07/76/13/572077613.db2.gz HEFXPXSOIDXMIR-ZJUUUORDSA-N 1 0 171.328 3.199 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+]C[C@@H](C)CC 82630876 572077708 /nfs/dbraw/zinc/07/77/08/572077708.db2.gz FFHDAQYJEQEKRZ-WDEREUQCSA-N 1 0 185.355 3.447 10 0 AGAERO CCCC[C@@H](C)[C@@H]([NH3+])CCC1CC1 300926786 572077716 /nfs/dbraw/zinc/07/77/16/572077716.db2.gz LXIRXQLEUUUBBC-PWSUYJOCSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@]1(C)CC(C)(C)C[C@@](C)([NH3+])C1 34380823 572077729 /nfs/dbraw/zinc/07/77/29/572077729.db2.gz JINZKAFNDLFUEW-NWDGAFQWSA-N 1 0 183.339 3.330 10 0 AGAERO C[C@H](CC[NH2+]CC1CC1)C(C)(C)C 82628294 572077742 /nfs/dbraw/zinc/07/77/42/572077742.db2.gz NYIUFFWYOVURHP-SNVBAGLBSA-N 1 0 183.339 3.058 10 0 AGAERO CCC(CC)[C@@H](C)N1CCCCC1=[NH2+] 82633288 572077748 /nfs/dbraw/zinc/07/77/48/572077748.db2.gz FKBWGDSULODGDW-SNVBAGLBSA-N 1 0 196.338 3.274 10 0 AGAERO CC(C)C[NH2+]CC[C@H](C)C(C)(C)C 82628272 572077771 /nfs/dbraw/zinc/07/77/71/572077771.db2.gz UGGCIFNMBOEPRO-NSHDSACASA-N 1 0 185.355 3.304 10 0 AGAERO CCC(CC)[C@H](C)[NH2+]Cc1ccco1 82630858 572077837 /nfs/dbraw/zinc/07/78/37/572077837.db2.gz VSYGXKOHEBRZDK-JTQLQIEISA-N 1 0 195.306 3.194 10 0 AGAERO C[C@H](C[C@H]([NH3+])c1ccco1)C(C)(C)C 82628214 572077850 /nfs/dbraw/zinc/07/78/50/572077850.db2.gz PBEOEMUPVFQQND-ZJUUUORDSA-N 1 0 195.306 3.352 10 0 AGAERO CCCC[C@H](C)[C@H]([NH3+])CCC1CC1 300926783 572077890 /nfs/dbraw/zinc/07/78/90/572077890.db2.gz LXIRXQLEUUUBBC-CMPLNLGQSA-N 1 0 183.339 3.330 10 0 AGAERO C[C@@H](CC[NH2+]CC1CC1)C(C)(C)C 82628293 572077929 /nfs/dbraw/zinc/07/79/29/572077929.db2.gz NYIUFFWYOVURHP-JTQLQIEISA-N 1 0 183.339 3.058 10 0 AGAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)C1CC1 82630911 572077940 /nfs/dbraw/zinc/07/79/40/572077940.db2.gz BUQPOOIVUPTCDZ-UWVGGRQHSA-N 1 0 183.339 3.199 10 0 AGAERO CC[NH2+]CC[C@H]1CCCC[C@@H]1CC 82658885 572078191 /nfs/dbraw/zinc/07/81/91/572078191.db2.gz TWPXGKMJAPROOY-NWDGAFQWSA-N 1 0 183.339 3.202 10 0 AGAERO CCC[NH2+]C[C@@H]1CCCC[C@H]1CC 82658786 572078268 /nfs/dbraw/zinc/07/82/68/572078268.db2.gz JEENMQRIXVFULI-NEPJUHHUSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@H]1CCCC[C@H]1C[NH2+]C(C)C 82658791 572078657 /nfs/dbraw/zinc/07/86/57/572078657.db2.gz UDPCDORMTVJZKH-RYUDHWBXSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1[NH3+] 82658873 572078705 /nfs/dbraw/zinc/07/87/05/572078705.db2.gz IAGQRYNICOYCQL-CYDGBPFRSA-N 1 0 195.350 3.330 10 0 AGAERO CCC[NH2+]C[C@H]1CCCC[C@@H]1CC 82658785 572078718 /nfs/dbraw/zinc/07/87/18/572078718.db2.gz JEENMQRIXVFULI-NWDGAFQWSA-N 1 0 183.339 3.202 10 0 AGAERO CCCC(=[NH2+])N[C@@H](C)C(CC)CC 82634439 572078770 /nfs/dbraw/zinc/07/87/70/572078770.db2.gz DMVDKMUDUGLGTR-VIFPVBQESA-N 1 0 184.327 3.178 10 0 AGAERO CCC(CC)[C@@H](C)NC(=[NH2+])C(C)(C)C 82634480 572078991 /nfs/dbraw/zinc/07/89/91/572078991.db2.gz JGDQKCXDMASFEB-SECBINFHSA-N 1 0 198.354 3.424 10 0 AGAERO C[NH2+][C@@H](CCC(C)C)[C@@H]1CC1(C)C 234392132 572079134 /nfs/dbraw/zinc/07/91/34/572079134.db2.gz CSUOLCVQTRCXRV-QWRGUYRKSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@H]1CCCC[C@H]1CC[NH2+]C1CC1 82658899 572079316 /nfs/dbraw/zinc/07/93/16/572079316.db2.gz VTOWNZQCFXGXEU-RYUDHWBXSA-N 1 0 195.350 3.345 10 0 AGAERO CCC(CC)[C@@H](C)NC(=[NH2+])C(C)C 82634465 572080408 /nfs/dbraw/zinc/08/04/08/572080408.db2.gz BWRSVARGGIGQET-SECBINFHSA-N 1 0 184.327 3.034 10 0 AGAERO CC[NH+](CC)CC(C)(C)C(C)C 713209654 572079500 /nfs/dbraw/zinc/07/95/00/572079500.db2.gz WNOXRUHLWCVDFB-UHFFFAOYSA-N 1 0 171.328 3.010 10 0 AGAERO C[C@H]([NH2+]C(C)(C)C)c1ccccc1 34413795 572079545 /nfs/dbraw/zinc/07/95/45/572079545.db2.gz HRUYOTKCNSOOBK-JTQLQIEISA-N 1 0 177.291 3.136 10 0 AGAERO CC(C)[C@H]1CC(C)(C)C[C@](C)([NH3+])C1 34408368 572079707 /nfs/dbraw/zinc/07/97/07/572079707.db2.gz IMRNCENQRSBDRW-CMPLNLGQSA-N 1 0 183.339 3.186 10 0 AGAERO CCCC(=[NH2+])N[C@H](C)C(CC)CC 82634442 572079884 /nfs/dbraw/zinc/07/98/84/572079884.db2.gz DMVDKMUDUGLGTR-SECBINFHSA-N 1 0 184.327 3.178 10 0 AGAERO CC[C@H]1CCCC[C@@H]1CC[NH2+]C1CC1 82658897 572079943 /nfs/dbraw/zinc/07/99/43/572079943.db2.gz VTOWNZQCFXGXEU-NWDGAFQWSA-N 1 0 195.350 3.345 10 0 AGAERO CCCCCC[C@H]([NH3+])C(C)(C)C 36988339 572080020 /nfs/dbraw/zinc/08/00/20/572080020.db2.gz RGDIZXCMDAJZPY-JTQLQIEISA-N 1 0 171.328 3.330 10 0 AGAERO CC[C@@H]1CCCC[C@H]1[C@@H]1CCC[C@@H]1[NH3+] 82658874 572080028 /nfs/dbraw/zinc/08/00/28/572080028.db2.gz IAGQRYNICOYCQL-NDBYEHHHSA-N 1 0 195.350 3.330 10 0 AGAERO CC[C@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 82659042 572080065 /nfs/dbraw/zinc/08/00/65/572080065.db2.gz MYDWBEPYDDDBTB-XQQFMLRXSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]C(C)C 82658788 572080129 /nfs/dbraw/zinc/08/01/29/572080129.db2.gz UDPCDORMTVJZKH-VXGBXAGGSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)[C@H](C)NC(=[NH2+])C(C)C 82634467 572080154 /nfs/dbraw/zinc/08/01/54/572080154.db2.gz BWRSVARGGIGQET-VIFPVBQESA-N 1 0 184.327 3.034 10 0 AGAERO CC[C@@H]1CCCC[C@H]1C[NH2+]C(C)C 82658790 572080308 /nfs/dbraw/zinc/08/03/08/572080308.db2.gz UDPCDORMTVJZKH-NEPJUHHUSA-N 1 0 183.339 3.201 10 0 AGAERO C/C=C\CC[NH2+]CC(C)(C)C(C)C 713209655 572080323 /nfs/dbraw/zinc/08/03/23/572080323.db2.gz WOPMMRQYIZJNRP-SREVYHEPSA-N 1 0 183.339 3.224 10 0 AGAERO CCC[NH2+]C[C@@H]1CCCC[C@@H]1CC 82658784 572080340 /nfs/dbraw/zinc/08/03/40/572080340.db2.gz JEENMQRIXVFULI-RYUDHWBXSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@H]1CCCC[C@H]1[C@@H]1CCC[C@@H]1[NH3+] 82658875 572080369 /nfs/dbraw/zinc/08/03/69/572080369.db2.gz IAGQRYNICOYCQL-RNJOBUHISA-N 1 0 195.350 3.330 10 0 AGAERO CC[NH2+]CC[C@H]1CCCC[C@H]1CC 82658884 572080632 /nfs/dbraw/zinc/08/06/32/572080632.db2.gz TWPXGKMJAPROOY-VXGBXAGGSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 82659031 572080713 /nfs/dbraw/zinc/08/07/13/572080713.db2.gz MYDWBEPYDDDBTB-AVGNSLFASA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H]1CCCC[C@H]1CC[NH2+]C1CC1 82658898 572080750 /nfs/dbraw/zinc/08/07/50/572080750.db2.gz VTOWNZQCFXGXEU-NEPJUHHUSA-N 1 0 195.350 3.345 10 0 AGAERO CC[NH2+]CC[C@@H]1CCCC[C@H]1CC 82658886 572080790 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CC[C@@H](C)C[C@H]([NH3+])CC(C)(C)C 82674176 572081470 /nfs/dbraw/zinc/08/14/70/572081470.db2.gz LBZXTZJALMBLTP-ZJUUUORDSA-N 1 0 171.328 3.186 10 0 AGAERO CC[NH2+][C@@H](CC(C)(C)C)C(C)(C)C 82674593 572081564 /nfs/dbraw/zinc/08/15/64/572081564.db2.gz LEEIZXAJXNLHCI-JTQLQIEISA-N 1 0 185.355 3.447 10 0 AGAERO CCCCC[C@@H]([NH3+])CC(C)(C)C 82673963 572081569 /nfs/dbraw/zinc/08/15/69/572081569.db2.gz MIEJYWSWLUCRJR-SNVBAGLBSA-N 1 0 171.328 3.330 10 0 AGAERO [NH3+]CC/C=C\c1cccc2ccccc12 214888712 572081604 /nfs/dbraw/zinc/08/16/04/572081604.db2.gz NJVKQQNSYMEWPG-CLTKARDFSA-N 1 0 197.281 3.202 10 0 AGAERO CC[NH2+][C@H](C)c1ccccc1C(C)C 82667992 572081794 /nfs/dbraw/zinc/08/17/94/572081794.db2.gz RIMQXNKWJPYUDY-LLVKDONJSA-N 1 0 191.318 3.481 10 0 AGAERO CCCCC[C@H]([NH3+])CC(C)(C)C 82673961 572081797 /nfs/dbraw/zinc/08/17/97/572081797.db2.gz MIEJYWSWLUCRJR-JTQLQIEISA-N 1 0 171.328 3.330 10 0 AGAERO CC[C@H](C)C[C@@H](CC(C)(C)C)[NH2+]C 82674432 572081928 /nfs/dbraw/zinc/08/19/28/572081928.db2.gz AZVDTIJKCWNYFW-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@@H](C)c1cccc(CC(C)C)c1 82667927 572082080 /nfs/dbraw/zinc/08/20/80/572082080.db2.gz KMFHMKJCZLSFDD-NSHDSACASA-N 1 0 191.318 3.166 10 0 AGAERO C[NH2+][C@@H](C)c1ccccc1CC(C)C 82667925 572082204 /nfs/dbraw/zinc/08/22/04/572082204.db2.gz JAWIUWJADRGRCF-NSHDSACASA-N 1 0 191.318 3.166 10 0 AGAERO CC(C)(C)C[C@H]([NH3+])CC1CCCC1 82674185 572082245 /nfs/dbraw/zinc/08/22/45/572082245.db2.gz TYLYOJDJLBQVPX-LLVKDONJSA-N 1 0 183.339 3.330 10 0 AGAERO CC(C)C[C@H](C)C[C@@H]1CCCC[NH2+]C1 300931638 572083338 /nfs/dbraw/zinc/08/33/38/572083338.db2.gz NVIWIQOCSNLFAY-STQMWFEESA-N 1 0 197.366 3.448 10 0 AGAERO C[NH2+][C@@H](CC(C)(C)C)C(C)(C)C 82674413 572082349 /nfs/dbraw/zinc/08/23/49/572082349.db2.gz CJMGGQWUCIRVQN-VIFPVBQESA-N 1 0 171.328 3.057 10 0 AGAERO CC[C@H]([NH3+])c1cccc(CC(C)C)c1 82667935 572082563 /nfs/dbraw/zinc/08/25/63/572082563.db2.gz XXARFUWQAIUXCN-ZDUSSCGKSA-N 1 0 191.318 3.295 10 0 AGAERO C[NH2+][C@H](C)c1ccccc1CC(C)C 82667924 572082589 /nfs/dbraw/zinc/08/25/89/572082589.db2.gz JAWIUWJADRGRCF-LLVKDONJSA-N 1 0 191.318 3.166 10 0 AGAERO CC/C(=C\C[NH3+])c1ccc(Cl)cc1 214885339 572082614 /nfs/dbraw/zinc/08/26/14/572082614.db2.gz JSAWSZIDGNVHIJ-VQHVLOKHSA-N 1 0 195.693 3.092 10 0 AGAERO CC[C@@H](C)C[C@@H](CC(C)(C)C)[NH2+]C 82674430 572082660 /nfs/dbraw/zinc/08/26/60/572082660.db2.gz AZVDTIJKCWNYFW-MNOVXSKESA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@H](C)C[C@H](CC(C)(C)C)[NH2+]C 82674436 572082770 /nfs/dbraw/zinc/08/27/70/572082770.db2.gz AZVDTIJKCWNYFW-WDEREUQCSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+]Cc1ccc(C(C)C)cc1F 82667986 572082790 /nfs/dbraw/zinc/08/27/90/572082790.db2.gz PCCGDXHXNUZXNV-UHFFFAOYSA-N 1 0 195.281 3.059 10 0 AGAERO CCC[NH2+][C@@H](CC(C)(C)C)C(C)C 82674696 572082796 /nfs/dbraw/zinc/08/27/96/572082796.db2.gz MBMHQURAHOZVSP-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+][C@H](CC(C)(C)C)C(C)C 82674578 572082802 /nfs/dbraw/zinc/08/28/02/572082802.db2.gz NMYFJQNDOQQQAK-SNVBAGLBSA-N 1 0 171.328 3.057 10 0 AGAERO CC(C)C[C@H](C)C[C@H]1CC[C@@H]1C[NH3+] 300931495 572082827 /nfs/dbraw/zinc/08/28/27/572082827.db2.gz NUOKJKITUDCSPK-QJPTWQEYSA-N 1 0 183.339 3.044 10 0 AGAERO CC[NH2+][C@@H](C)c1ccccc1C(C)C 82667991 572082976 /nfs/dbraw/zinc/08/29/76/572082976.db2.gz RIMQXNKWJPYUDY-NSHDSACASA-N 1 0 191.318 3.481 10 0 AGAERO CCCC[C@@H](C)[C@H]([NH3+])c1ccco1 300930940 572082977 /nfs/dbraw/zinc/08/29/77/572082977.db2.gz MLMNIFSJRPSJLK-KOLCDFICSA-N 1 0 181.279 3.106 10 0 AGAERO CC[C@@H]([NH3+])c1cccc(CC(C)C)c1 82667936 572082987 /nfs/dbraw/zinc/08/29/87/572082987.db2.gz XXARFUWQAIUXCN-CYBMUJFWSA-N 1 0 191.318 3.295 10 0 AGAERO CC[C@@H](C)C[C@H](CC(C)(C)C)[NH2+]C 82674434 572083000 /nfs/dbraw/zinc/08/30/00/572083000.db2.gz AZVDTIJKCWNYFW-GHMZBOCLSA-N 1 0 185.355 3.447 10 0 AGAERO CCCC[C@H](C)[C@@H]([NH3+])c1ccco1 300930937 572083065 /nfs/dbraw/zinc/08/30/65/572083065.db2.gz MLMNIFSJRPSJLK-GXSJLCMTSA-N 1 0 181.279 3.106 10 0 AGAERO CC[NH2+]Cc1cc(C(C)C)ccc1F 82668009 572083132 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1 0 183.339 3.044 10 0 AGAERO C[NH2+][C@H](C)c1cccc(CC(C)C)c1 82667926 572083673 /nfs/dbraw/zinc/08/36/73/572083673.db2.gz KMFHMKJCZLSFDD-LLVKDONJSA-N 1 0 191.318 3.166 10 0 AGAERO CC[C@@H]1CC[NH2+][C@H]1[C@H](C)CC(C)C 300931609 572083678 /nfs/dbraw/zinc/08/36/78/572083678.db2.gz NVAZZWAZRCODNV-UTUOFQBUSA-N 1 0 183.339 3.057 10 0 AGAERO CCCC[C@H](CC(C)(C)C)[NH2+]C 82674264 572083766 /nfs/dbraw/zinc/08/37/66/572083766.db2.gz PFHRHZNLGJNTMY-SNVBAGLBSA-N 1 0 171.328 3.201 10 0 AGAERO CC(C)C[C@@H](C)C[C@H]1CCCC[NH2+]C1 300931625 572083772 /nfs/dbraw/zinc/08/37/72/572083772.db2.gz NVIWIQOCSNLFAY-CHWSQXEVSA-N 1 0 197.366 3.448 10 0 AGAERO C[NH2+][C@@H](CC(C)(C)C)C1CCCC1 82674445 572083868 /nfs/dbraw/zinc/08/38/68/572083868.db2.gz JRSHSPZMRDTNGX-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@H](CC(C)(C)C)C1CCCC1 82674447 572083885 /nfs/dbraw/zinc/08/38/85/572083885.db2.gz JRSHSPZMRDTNGX-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO CCCC[C@H](C)[C@H]([NH3+])c1ccco1 300930943 572083926 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QDIRLMAORXTOPP-RYUDHWBXSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[C@H](C)C[C@@H]1CC[C@H]1C[NH3+] 300931507 572084716 /nfs/dbraw/zinc/08/47/16/572084716.db2.gz NUOKJKITUDCSPK-SRVKXCTJSA-N 1 0 183.339 3.044 10 0 AGAERO CCc1ccc(/C(C)=C\CC[NH3+])s1 214897272 572084759 /nfs/dbraw/zinc/08/47/59/572084759.db2.gz UMMZLRCAIYZHEC-UITAMQMPSA-N 1 0 195.331 3.063 10 0 AGAERO CC1(C)CCC[NH2+][C@@H]1c1ccccc1 34480169 572085034 /nfs/dbraw/zinc/08/50/34/572085034.db2.gz UMJAPOQIGCAQJO-GFCCVEGCSA-N 1 0 189.302 3.137 10 0 AGAERO CC[C@H]1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 82713711 572085213 /nfs/dbraw/zinc/08/52/13/572085213.db2.gz KOLHSVZDYQEOBK-XQQFMLRXSA-N 1 0 195.350 3.345 10 0 AGAERO CCCCC[C@@H]1CC[C@@H]([NH2+]CC)C1 82730659 572085349 /nfs/dbraw/zinc/08/53/49/572085349.db2.gz POGZSVHZSSMEBO-VXGBXAGGSA-N 1 0 183.339 3.345 10 0 AGAERO CC1(C)CCC[NH2+][C@H]1c1ccccc1 34480171 572085611 /nfs/dbraw/zinc/08/56/11/572085611.db2.gz UMJAPOQIGCAQJO-LBPRGKRZSA-N 1 0 189.302 3.137 10 0 AGAERO 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Cc1cc([C@H](C)[NH3+])c2ccccc2c1 34875222 572112037 /nfs/dbraw/zinc/11/20/37/572112037.db2.gz PBGPIENZLJEABT-JTQLQIEISA-N 1 0 185.270 3.168 10 0 AGAERO C[C@H]1C[NH2+]Cc2ccc3ccccc3c21 82784363 572112053 /nfs/dbraw/zinc/11/20/53/572112053.db2.gz RBJDQVDUOSPXBH-JTQLQIEISA-N 1 0 197.281 3.047 10 0 AGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](C)CC(C)C 300942792 572113038 /nfs/dbraw/zinc/11/30/38/572113038.db2.gz OWLAIAGZWMAACI-YNEHKIRRSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)CC(C)C 300942789 572113068 /nfs/dbraw/zinc/11/30/68/572113068.db2.gz OWLAIAGZWMAACI-XQQFMLRXSA-N 1 0 197.366 3.447 10 0 AGAERO CCCC[C@@H](C)[C@H]([NH3+])C1=CCCC1 300942959 572113098 /nfs/dbraw/zinc/11/30/98/572113098.db2.gz NZTMLVLWMSMPFF-PWSUYJOCSA-N 1 0 181.323 3.250 10 0 AGAERO CC(C)[NH2+][C@H]1C[C@H]2CC[C@]1(C)C2(C)C 34994405 572113127 /nfs/dbraw/zinc/11/31/27/572113127.db2.gz KVRZYRDPADWRAG-MDZLAQPJSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@@H](CCCC(C)(C)C)[C@@H](C)C[NH3+] 300941199 572113225 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OWYHENNIQXLFHF-GHMZBOCLSA-N 1 0 183.339 3.186 10 0 AGAERO Cc1ccc2oc([C@@H](C)[NH3+])c(C)c2c1 34975059 572114067 /nfs/dbraw/zinc/11/40/67/572114067.db2.gz CAUDQLPCLQHCPP-SECBINFHSA-N 1 0 189.258 3.069 10 0 AGAERO Cc1ccc([C@@H]([NH3+])C2CCC2)cc1C 34972107 572114090 /nfs/dbraw/zinc/11/40/90/572114090.db2.gz OZNNIIVWUHSDCV-ZDUSSCGKSA-N 1 0 189.302 3.103 10 0 AGAERO CC(C)C[C@@H](C)C[C@H]([NH3+])C1(C)CC1 300942830 572114153 /nfs/dbraw/zinc/11/41/53/572114153.db2.gz OWYHENNIQXLFHF-MNOVXSKESA-N 1 0 183.339 3.186 10 0 AGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)CC(C)C 300942783 572114492 /nfs/dbraw/zinc/11/44/92/572114492.db2.gz OWLAIAGZWMAACI-JHJVBQTASA-N 1 0 197.366 3.447 10 0 AGAERO C[C@H](C[NH3+])[C@@H](C)CCCC(C)(C)C 300941200 572114501 /nfs/dbraw/zinc/11/45/01/572114501.db2.gz WDLMWHFTAQIEHF-WDEREUQCSA-N 1 0 185.355 3.434 10 0 AGAERO C[C@@H](C[NH3+])[C@H](C)CCCC(C)(C)C 300941198 572114574 /nfs/dbraw/zinc/11/45/74/572114574.db2.gz WDLMWHFTAQIEHF-MNOVXSKESA-N 1 0 185.355 3.434 10 0 AGAERO Cc1ccc2oc([C@H](C)[NH3+])c(C)c2c1 34975060 572114700 /nfs/dbraw/zinc/11/47/00/572114700.db2.gz CAUDQLPCLQHCPP-VIFPVBQESA-N 1 0 189.258 3.069 10 0 AGAERO CCCC[C@H](C)[C@@H]([NH3+])C1=CCCC1 300942955 572114860 /nfs/dbraw/zinc/11/48/60/572114860.db2.gz NZTMLVLWMSMPFF-CMPLNLGQSA-N 1 0 181.323 3.250 10 0 AGAERO CC(C)C[C@H](C)C[C@H]([NH3+])C1(C)CC1 300942833 572114909 /nfs/dbraw/zinc/11/49/09/572114909.db2.gz OWYHENNIQXLFHF-QWRGUYRKSA-N 1 0 183.339 3.186 10 0 AGAERO CC[NH2+]C[C@@H](C)CC[C@@H]1CC=CCC1 402305162 572117826 /nfs/dbraw/zinc/11/78/26/572117826.db2.gz KRQWFAZMKNVQGX-QWHCGFSZSA-N 1 0 195.350 3.369 10 0 AGAERO CC(C)CCCC[NH2+]C[C@H]1C=CCC1 711783099 572118688 /nfs/dbraw/zinc/11/86/88/572118688.db2.gz BMIQXPQLIVNAAU-ZDUSSCGKSA-N 1 0 195.350 3.369 10 0 AGAERO CC(C)[C@@H](C)[C@H]([NH3+])CCCC(F)F 687919687 572119710 /nfs/dbraw/zinc/11/97/10/572119710.db2.gz YVUXJKJNPAUXTB-RKDXNWHRSA-N 1 0 193.281 3.041 10 0 AGAERO CC(C)[C@@H](C)[C@@H]([NH3+])CCCC(F)F 687919684 572120820 /nfs/dbraw/zinc/12/08/20/572120820.db2.gz YVUXJKJNPAUXTB-BDAKNGLRSA-N 1 0 193.281 3.041 10 0 AGAERO CC(C)CCCC[NH2+]C[C@@H]1C=CCC1 711783095 572120137 /nfs/dbraw/zinc/12/01/37/572120137.db2.gz BMIQXPQLIVNAAU-CYBMUJFWSA-N 1 0 195.350 3.369 10 0 AGAERO CC(C)[C@H](C)[C@@H]([NH3+])CCCC(F)F 687919686 572121278 /nfs/dbraw/zinc/12/12/78/572121278.db2.gz YVUXJKJNPAUXTB-IUCAKERBSA-N 1 0 193.281 3.041 10 0 AGAERO CC(C)(C)[NH2+][Si](C)(C)C(C)(C)C 196197604 572121295 /nfs/dbraw/zinc/12/12/95/572121295.db2.gz XLUOEAYOBDICRA-UHFFFAOYSA-N 1 0 187.403 3.380 10 0 AGAERO CC(C)[C@H](C)[C@H]([NH3+])CCCC(F)F 687919685 572121411 /nfs/dbraw/zinc/12/14/11/572121411.db2.gz YVUXJKJNPAUXTB-DTWKUNHWSA-N 1 0 193.281 3.041 10 0 AGAERO CCC[C@@H](C)[C@H](C[NH2+]C)CC(C)C 300342984 572121970 /nfs/dbraw/zinc/12/19/70/572121970.db2.gz JDMXAHNNGHXZQQ-NEPJUHHUSA-N 1 0 185.355 3.304 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]C)[C@H]1CC[C@@H](C)C1 300345433 572124993 /nfs/dbraw/zinc/12/49/93/572124993.db2.gz VWUQJRPDKFTWPD-VOAKCMCISA-N 1 0 197.366 3.447 10 0 AGAERO CCC[NH2+][C@@H](C)C[C@H](C)CC(C)C 82811016 572125407 /nfs/dbraw/zinc/12/54/07/572125407.db2.gz GSLIMVLDIVQHJE-NEPJUHHUSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@H](C)C[C@@H]([NH3+])[C@H]1CC1(C)C 300333335 572122176 /nfs/dbraw/zinc/12/21/76/572122176.db2.gz KSAUWKIVNCSSNV-HBNTYKKESA-N 1 0 183.339 3.186 10 0 AGAERO CCCCCC[C@@H]([NH3+])CCC 37408578 572122232 /nfs/dbraw/zinc/12/22/32/572122232.db2.gz JYRWFZZKEKTMSK-JTQLQIEISA-N 1 0 157.301 3.084 10 0 AGAERO CC[NH2+][C@@H](C)C[C@H](C)c1ccccc1 82810126 572125442 /nfs/dbraw/zinc/12/54/42/572125442.db2.gz OLQQKVRMCMDISU-RYUDHWBXSA-N 1 0 191.318 3.178 10 0 AGAERO CCC[C@@H](C)[C@H](CC)C[NH2+]CC 300342915 572122343 /nfs/dbraw/zinc/12/23/43/572122343.db2.gz HZWHYYWWIWLJKJ-GHMZBOCLSA-N 1 0 171.328 3.058 10 0 AGAERO CC[NH2+][C@H](C[C@H](C)CC)[C@H]1CC1(C)C 300332943 572122379 /nfs/dbraw/zinc/12/23/79/572122379.db2.gz CLEPEUOVCYLHEA-IJLUTSLNSA-N 1 0 197.366 3.447 10 0 AGAERO C[C@H]([NH3+])C[C@H](C)CCc1ccsc1 82807560 572122391 /nfs/dbraw/zinc/12/23/91/572122391.db2.gz IIERBEWZJAUJGW-ZJUUUORDSA-N 1 0 197.347 3.054 10 0 AGAERO CCC[C@@H](C)[C@H](CC)C[NH2+]C(C)C 300342760 572122398 /nfs/dbraw/zinc/12/23/98/572122398.db2.gz FRSDCWGHIJKQAF-VXGBXAGGSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@@H](C)[C@H](C)C[NH2+]C1CCC1 300342930 572122413 /nfs/dbraw/zinc/12/24/13/572122413.db2.gz IEFGWSWQVISFFJ-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@@H](C)[C@H](C[NH3+])CC(C)C 300342614 572122418 /nfs/dbraw/zinc/12/24/18/572122418.db2.gz CYDLJIJMQLWHLG-MNOVXSKESA-N 1 0 171.328 3.044 10 0 AGAERO CCC[C@@H](C)[C@@](C)(CC)C[NH2+]C 300342660 572122430 /nfs/dbraw/zinc/12/24/30/572122430.db2.gz DMHSTZRJVWURMQ-MNOVXSKESA-N 1 0 171.328 3.058 10 0 AGAERO C[NH2+][C@H](C)C[C@H](C)[C@@H]1CCC[C@@H](C)C1 82809441 572122613 /nfs/dbraw/zinc/12/26/13/572122613.db2.gz CAWBXWHJJBVEET-YVECIDJPSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H](C)C[C@H](C)C[C@@H](C)[NH2+]C 82808949 572122632 /nfs/dbraw/zinc/12/26/32/572122632.db2.gz KJWQBAGAWFFRKW-SDDRHHMPSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]C)[C@@H]1CC[C@H](C)C1 300345432 572125456 /nfs/dbraw/zinc/12/54/56/572125456.db2.gz VWUQJRPDKFTWPD-RVMXOQNASA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H]([NH3+])CCc1ccccc1C 37408551 572122652 /nfs/dbraw/zinc/12/26/52/572122652.db2.gz WLCDLHIQXGFRFM-ZDUSSCGKSA-N 1 0 191.318 3.055 10 0 AGAERO CCc1ccc([C@@H](C)C[C@H](C)[NH3+])cc1 82807778 572122654 /nfs/dbraw/zinc/12/26/54/572122654.db2.gz HLWLGMMQSFBACS-QWRGUYRKSA-N 1 0 191.318 3.090 10 0 AGAERO CCC[C@@H](C)C[C@H](C)C[C@@H](C)[NH2+]C 82808947 572122661 /nfs/dbraw/zinc/12/26/61/572122661.db2.gz KJWQBAGAWFFRKW-GRYCIOLGSA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@H](C)C[C@@H](C)C[C@@H](C)[NH2+]C 82808712 572122676 /nfs/dbraw/zinc/12/26/76/572122676.db2.gz RNOXXKVSEHSYBQ-HBNTYKKESA-N 1 0 171.328 3.057 10 0 AGAERO C[C@H]([NH3+])C[C@H](C)CCC(C)(C)C 82807611 572122726 /nfs/dbraw/zinc/12/27/26/572122726.db2.gz QPGRFGXLNPTTMR-ZJUUUORDSA-N 1 0 171.328 3.186 10 0 AGAERO CCCCC[C@@H](C)C[C@H](C)[NH2+]C 82809027 572122742 /nfs/dbraw/zinc/12/27/42/572122742.db2.gz PNGHNAQBEONZNR-MNOVXSKESA-N 1 0 171.328 3.201 10 0 AGAERO CC[C@@H](C)C[C@@H](C)C[C@@H](C)[NH2+]C 82808711 572122750 /nfs/dbraw/zinc/12/27/50/572122750.db2.gz RNOXXKVSEHSYBQ-GMTAPVOTSA-N 1 0 171.328 3.057 10 0 AGAERO C[C@@H](CCC(C)(C)C)C[C@@H](C)[NH3+] 82807606 572122775 /nfs/dbraw/zinc/12/27/75/572122775.db2.gz QPGRFGXLNPTTMR-VHSXEESVSA-N 1 0 171.328 3.186 10 0 AGAERO C[C@@H]([NH3+])C[C@H](C)CCc1cccs1 82807675 572122778 /nfs/dbraw/zinc/12/27/78/572122778.db2.gz ACGXETCQCZPFTD-NXEZZACHSA-N 1 0 197.347 3.054 10 0 AGAERO CCC[C@H](C)C[C@@H](C)C[C@@H](C)[NH3+] 82807794 572122813 /nfs/dbraw/zinc/12/28/13/572122813.db2.gz ZHVLGTSXFXEHSZ-HBNTYKKESA-N 1 0 171.328 3.186 10 0 AGAERO CC[NH2+][C@H](C)C[C@H](C)CCC(C)C 82809804 572122836 /nfs/dbraw/zinc/12/28/36/572122836.db2.gz NAGNBHIEHWCRLC-VXGBXAGGSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@H](C)C[C@H](C)[C@@H]1CCC[C@H](C)C1 82809443 572122837 /nfs/dbraw/zinc/12/28/37/572122837.db2.gz CAWBXWHJJBVEET-WUHRBBMRSA-N 1 0 197.366 3.447 10 0 AGAERO C[NH2+][C@@H](C)C[C@H](C)c1cccc(C)c1 82809464 572122953 /nfs/dbraw/zinc/12/29/53/572122953.db2.gz KYGKUBOTRYRULW-RYUDHWBXSA-N 1 0 191.318 3.097 10 0 AGAERO C[C@H]([NH3+])C[C@@H](C)CCc1cccs1 82807676 572122967 /nfs/dbraw/zinc/12/29/67/572122967.db2.gz ACGXETCQCZPFTD-UWVGGRQHSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+]CC=C(C)C)[C@H]1C 300346434 572125472 /nfs/dbraw/zinc/12/54/72/572125472.db2.gz ZXIWFSCIJRQFTH-XQQFMLRXSA-N 1 0 195.350 3.367 10 0 AGAERO CCc1ccc([C@H](C)C[C@H](C)[NH3+])cc1 82807780 572123042 /nfs/dbraw/zinc/12/30/42/572123042.db2.gz HLWLGMMQSFBACS-MNOVXSKESA-N 1 0 191.318 3.090 10 0 AGAERO CCC[C@H](C)C[C@@H](C)C[C@@H](C)[NH2+]C 82808944 572123101 /nfs/dbraw/zinc/12/31/01/572123101.db2.gz KJWQBAGAWFFRKW-QJPTWQEYSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+][C@@H]([C@H]1CC1(C)C)[C@H](C)CC 300333203 572123102 /nfs/dbraw/zinc/12/31/02/572123102.db2.gz HWNSVMOOJNFLBQ-GMTAPVOTSA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+][C@H](C)C[C@H](C)[C@H]1CCC[C@@H](C)C1 82809437 572123134 /nfs/dbraw/zinc/12/31/34/572123134.db2.gz CAWBXWHJJBVEET-XQHKEYJVSA-N 1 0 197.366 3.447 10 0 AGAERO C[NH2+][C@H](C)C[C@H](C)c1ccc(C)cc1 82808898 572123173 /nfs/dbraw/zinc/12/31/73/572123173.db2.gz BYQHDCKENAKTBY-NWDGAFQWSA-N 1 0 191.318 3.097 10 0 AGAERO CCC[NH2+][C@H]([C@@H](C)CC)[C@H]1CC1(C)C 300333485 572123186 /nfs/dbraw/zinc/12/31/86/572123186.db2.gz NPNMAFGKELPMGX-QJPTWQEYSA-N 1 0 197.366 3.447 10 0 AGAERO C[NH2+][C@@H](C)C[C@@H](C)CCC(C)(C)C 82808797 572123201 /nfs/dbraw/zinc/12/32/01/572123201.db2.gz RZBVKIPEQUEYGU-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@H](C)C[C@@H](C)CCC(C)C 82808726 572123226 /nfs/dbraw/zinc/12/32/26/572123226.db2.gz VTXWRRBAOMDFAM-WDEREUQCSA-N 1 0 171.328 3.057 10 0 AGAERO C[NH2+][C@H](CC(C)C)[C@H]1CCC[C@H]1C 300333535 572123236 /nfs/dbraw/zinc/12/32/36/572123236.db2.gz OJBZQPHPVDAODA-GRYCIOLGSA-N 1 0 183.339 3.057 10 0 AGAERO CCC[C@H]([NH3+])CCC1CCCCC1 37408569 572123243 /nfs/dbraw/zinc/12/32/43/572123243.db2.gz GCOBOXBEIVTJSC-LBPRGKRZSA-N 1 0 183.339 3.474 10 0 AGAERO C[NH2+][C@H](C)C[C@@H](C)c1cccc(C)c1 82809463 572123244 /nfs/dbraw/zinc/12/32/44/572123244.db2.gz KYGKUBOTRYRULW-VXGBXAGGSA-N 1 0 191.318 3.097 10 0 AGAERO CC[NH2+][C@H](C[C@@H](C)CC)[C@H]1CC1(C)C 300332944 572123265 /nfs/dbraw/zinc/12/32/65/572123265.db2.gz CLEPEUOVCYLHEA-QJPTWQEYSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@@H]([NH3+])CCc1ccccc1C 37408552 572123303 /nfs/dbraw/zinc/12/33/03/572123303.db2.gz WLCDLHIQXGFRFM-CYBMUJFWSA-N 1 0 191.318 3.055 10 0 AGAERO C[NH2+][C@@H](C)C[C@@H](C)C1CCCCC1 82809283 572123320 /nfs/dbraw/zinc/12/33/20/572123320.db2.gz DBTNKZOMKAVWOY-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@@H](C)C[C@@H](C)CCC(C)C 82808730 572123333 /nfs/dbraw/zinc/12/33/33/572123333.db2.gz VTXWRRBAOMDFAM-QWRGUYRKSA-N 1 0 171.328 3.057 10 0 AGAERO CC[NH2+][C@H](C)C[C@@H](C)CCC(C)C 82809799 572123340 /nfs/dbraw/zinc/12/33/40/572123340.db2.gz NAGNBHIEHWCRLC-NWDGAFQWSA-N 1 0 185.355 3.447 10 0 AGAERO CCCCC[C@@H](C)C[C@@H](C)[NH2+]C 82809023 572123343 /nfs/dbraw/zinc/12/33/43/572123343.db2.gz PNGHNAQBEONZNR-GHMZBOCLSA-N 1 0 171.328 3.201 10 0 AGAERO CCC[C@@H]([NH3+])CCC1CCCCC1 37408570 572123358 /nfs/dbraw/zinc/12/33/58/572123358.db2.gz GCOBOXBEIVTJSC-GFCCVEGCSA-N 1 0 183.339 3.474 10 0 AGAERO CCC[C@@H](C)[C@@](C)(C[NH3+])CCC 300342580 572123361 /nfs/dbraw/zinc/12/33/61/572123361.db2.gz CQGJWWOAEGQSIR-GHMZBOCLSA-N 1 0 171.328 3.188 10 0 AGAERO C[NH2+][C@@H](C)C[C@H](C)c1ccc(C)cc1 82808902 572123402 /nfs/dbraw/zinc/12/34/02/572123402.db2.gz BYQHDCKENAKTBY-RYUDHWBXSA-N 1 0 191.318 3.097 10 0 AGAERO CC[NH2+][C@H](C)C[C@H](C)C[C@@H](C)CC 82809783 572123406 /nfs/dbraw/zinc/12/34/06/572123406.db2.gz OKEWLYYGCZVWRS-QJPTWQEYSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@H](C)C[C@@H](C)CCC(C)(C)C 82808793 572123433 /nfs/dbraw/zinc/12/34/33/572123433.db2.gz RZBVKIPEQUEYGU-WDEREUQCSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@H](CC(C)C)[C@@H]1CCC[C@H]1C 300333536 572123438 /nfs/dbraw/zinc/12/34/38/572123438.db2.gz OJBZQPHPVDAODA-IJLUTSLNSA-N 1 0 183.339 3.057 10 0 AGAERO CCCCCC[C@@H](C)C[C@@H](C)[NH3+] 82807782 572123459 /nfs/dbraw/zinc/12/34/59/572123459.db2.gz WTNBQBFPRGAKLJ-GHMZBOCLSA-N 1 0 171.328 3.330 10 0 AGAERO C[NH2+][C@H](C)C[C@@H](C)C1CCCCC1 82809280 572123511 /nfs/dbraw/zinc/12/35/11/572123511.db2.gz DBTNKZOMKAVWOY-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CCCCC[C@H](C)C[C@H](C)[NH2+]C 82809029 572123553 /nfs/dbraw/zinc/12/35/53/572123553.db2.gz PNGHNAQBEONZNR-QWRGUYRKSA-N 1 0 171.328 3.201 10 0 AGAERO C[NH2+][C@H](C)C[C@H](C)C1CCCCC1 82809278 572123601 /nfs/dbraw/zinc/12/36/01/572123601.db2.gz DBTNKZOMKAVWOY-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@H](C)C[C@H]([NH2+]C)[C@H]1CC1(C)C 300333202 572123626 /nfs/dbraw/zinc/12/36/26/572123626.db2.gz HUGAAHWDMXPMDB-TUAOUCFPSA-N 1 0 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82808794 572123764 /nfs/dbraw/zinc/12/37/64/572123764.db2.gz RZBVKIPEQUEYGU-GHMZBOCLSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@@H](C)C[C@H](C)C[C@@H](C)[NH3+] 82807795 572123805 /nfs/dbraw/zinc/12/38/05/572123805.db2.gz ZHVLGTSXFXEHSZ-OUAUKWLOSA-N 1 0 171.328 3.186 10 0 AGAERO CCCCCC[C@@H](C)C[C@H](C)[NH3+] 82807787 572123816 /nfs/dbraw/zinc/12/38/16/572123816.db2.gz WTNBQBFPRGAKLJ-MNOVXSKESA-N 1 0 171.328 3.330 10 0 AGAERO C[NH2+][C@@H](C)C[C@H](C)CCC(C)C 82808728 572123843 /nfs/dbraw/zinc/12/38/43/572123843.db2.gz VTXWRRBAOMDFAM-MNOVXSKESA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@@H](C)[C@H](CC)C[NH2+]C1CC1 300342769 572123844 /nfs/dbraw/zinc/12/38/44/572123844.db2.gz FUDXWKRJVSLDEC-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@H](C)C[C@H](C)c1ccccc1C 82809015 572123852 /nfs/dbraw/zinc/12/38/52/572123852.db2.gz JPHYKOVLTHLFGH-NWDGAFQWSA-N 1 0 191.318 3.097 10 0 AGAERO CC[NH2+][C@@H](C)C[C@@H](C)CCC(C)C 82809797 572123892 /nfs/dbraw/zinc/12/38/92/572123892.db2.gz 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CCC[C@@H](C)[C@@]1(CCC)CCC[NH2+]1 300343022 572124040 /nfs/dbraw/zinc/12/40/40/572124040.db2.gz JQBJPFYKPBVSRT-VXGBXAGGSA-N 1 0 183.339 3.345 10 0 AGAERO C[NH2+][C@@H](C)C[C@H](C)C1CCCCC1 82809282 572124049 /nfs/dbraw/zinc/12/40/49/572124049.db2.gz DBTNKZOMKAVWOY-QWRGUYRKSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@@H](C)C[C@@H](C)C[C@@H](C)[NH3+] 82807792 572124085 /nfs/dbraw/zinc/12/40/85/572124085.db2.gz ZHVLGTSXFXEHSZ-GMTAPVOTSA-N 1 0 171.328 3.186 10 0 AGAERO C[NH2+][C@@H](C)C[C@@H](C)c1cccc(C)c1 82809466 572124091 /nfs/dbraw/zinc/12/40/91/572124091.db2.gz KYGKUBOTRYRULW-NEPJUHHUSA-N 1 0 191.318 3.097 10 0 AGAERO CC[C@@H](C)C[C@H](C)C[C@@H](C)[NH2+]C 82808713 572124126 /nfs/dbraw/zinc/12/41/26/572124126.db2.gz RNOXXKVSEHSYBQ-OUAUKWLOSA-N 1 0 171.328 3.057 10 0 AGAERO C[C@@H](CCc1cccs1)C[C@@H](C)[NH3+] 82807674 572124133 /nfs/dbraw/zinc/12/41/33/572124133.db2.gz ACGXETCQCZPFTD-VHSXEESVSA-N 1 0 197.347 3.054 10 0 AGAERO CCCCC[C@H](C)C[C@@H](C)[NH2+]C 82809025 572124156 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AGAERO C[NH2+][C@H](C)C[C@@H](C)c1ccccc1C 82809017 572124276 /nfs/dbraw/zinc/12/42/76/572124276.db2.gz JPHYKOVLTHLFGH-VXGBXAGGSA-N 1 0 191.318 3.097 10 0 AGAERO CCCCCC[C@H](C)C[C@@H](C)[NH3+] 82807785 572124302 /nfs/dbraw/zinc/12/43/02/572124302.db2.gz WTNBQBFPRGAKLJ-WDEREUQCSA-N 1 0 171.328 3.330 10 0 AGAERO CCC[C@H](C[NH2+]C)[C@H](C)CCC 300342680 572124309 /nfs/dbraw/zinc/12/43/09/572124309.db2.gz DURUWTJSBCIZJZ-GHMZBOCLSA-N 1 0 171.328 3.058 10 0 AGAERO C[NH2+][C@H](C)C[C@H](C)CC1CCCC1 82809175 572124412 /nfs/dbraw/zinc/12/44/12/572124412.db2.gz HUCMBNMXDQTAAF-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@H]([NH3+])C[C@H](C)CCc1cccs1 82807678 572124451 /nfs/dbraw/zinc/12/44/51/572124451.db2.gz ACGXETCQCZPFTD-ZJUUUORDSA-N 1 0 197.347 3.054 10 0 AGAERO CCC[C@@H](C)C[C@@H](C)C[C@@H](C)[NH2+]C 82808942 572124462 /nfs/dbraw/zinc/12/44/62/572124462.db2.gz KJWQBAGAWFFRKW-IJLUTSLNSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+][C@H](C)C[C@@H](C)C[C@@H](C)CC 82809787 572124465 /nfs/dbraw/zinc/12/44/65/572124465.db2.gz OKEWLYYGCZVWRS-SDDRHHMPSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@H](C)C[C@H](C)CCC(C)C 82808724 572124468 /nfs/dbraw/zinc/12/44/68/572124468.db2.gz VTXWRRBAOMDFAM-GHMZBOCLSA-N 1 0 171.328 3.057 10 0 AGAERO CCc1ccc([C@H](C)C[C@@H](C)[NH3+])cc1 82807776 572124471 /nfs/dbraw/zinc/12/44/71/572124471.db2.gz HLWLGMMQSFBACS-GHMZBOCLSA-N 1 0 191.318 3.090 10 0 AGAERO C[NH2+][C@H](C)C[C@H](C)c1cccc(C)c1 82809461 572124479 /nfs/dbraw/zinc/12/44/79/572124479.db2.gz KYGKUBOTRYRULW-NWDGAFQWSA-N 1 0 191.318 3.097 10 0 AGAERO C[C@@H](CCc1ccsc1)C[C@@H](C)[NH3+] 82807554 572124523 /nfs/dbraw/zinc/12/45/23/572124523.db2.gz IIERBEWZJAUJGW-VHSXEESVSA-N 1 0 197.347 3.054 10 0 AGAERO C[C@@H](C[C@@H](C)[NH3+])[C@@H]1CCC[C@@H](C)C1 82808287 572124527 /nfs/dbraw/zinc/12/45/27/572124527.db2.gz HPXFQBKGIPVHQZ-WRWGMCAJSA-N 1 0 183.339 3.186 10 0 AGAERO CCC[NH2+][C@H]([C@H](C)CCC)[C@@H]1C[C@H]1C 300345901 572124567 /nfs/dbraw/zinc/12/45/67/572124567.db2.gz HCKYWXQSQDOUPM-FDYHWXHSSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H](C)[C@@H](C)[C@H](C)C[NH2+]C1CC1 300343359 572124583 /nfs/dbraw/zinc/12/45/83/572124583.db2.gz AKHVBKQGOCQMII-QJPTWQEYSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]C)[C@H]1CCC[C@@H]1C 300346841 572124614 /nfs/dbraw/zinc/12/46/14/572124614.db2.gz JYRLSGPQPHKTAV-CYDGBPFRSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H](C)[C@@H]1CC[C@H]1C[NH2+]C(C)C 300346177 572124627 /nfs/dbraw/zinc/12/46/27/572124627.db2.gz HNJKAIUHLSJGDZ-AVGNSLFASA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@@H](C)[C@H]([NH3+])c1cscc1C 300346675 572124703 /nfs/dbraw/zinc/12/47/03/572124703.db2.gz JJRHADCUCDKXPZ-KCJUWKMLSA-N 1 0 197.347 3.493 10 0 AGAERO CCC[NH2+][C@@H](C)C[C@H](C)c1ccoc1 82811032 572124712 /nfs/dbraw/zinc/12/47/12/572124712.db2.gz GEUDTOXNRMRROO-QWRGUYRKSA-N 1 0 195.306 3.161 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]C)[C@H](C)C(C)C 300346698 572124859 /nfs/dbraw/zinc/12/48/59/572124859.db2.gz JNRIBSZPSCCCAS-TUAOUCFPSA-N 1 0 185.355 3.303 10 0 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/nfs/dbraw/zinc/12/49/50/572124950.db2.gz HNJKAIUHLSJGDZ-RWMBFGLXSA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@@H](C)C[C@H](C)C1CCCC1 82810479 572124986 /nfs/dbraw/zinc/12/49/86/572124986.db2.gz BHWMBJNMECJZQL-QWRGUYRKSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@H](C)[C@H]([NH3+])[C@@H]1[C@H]2CCCC[C@H]21 300345330 572124987 /nfs/dbraw/zinc/12/49/87/572124987.db2.gz FZSRCZHBWSOJOB-YYHQMBLXSA-N 1 0 195.350 3.186 10 0 AGAERO CC[NH2+][C@H](C)C[C@H](C)c1cccs1 82810020 572124990 /nfs/dbraw/zinc/12/49/90/572124990.db2.gz JRSINOQDFFRJNK-VHSXEESVSA-N 1 0 197.347 3.240 10 0 AGAERO CC[NH2+][C@H](C)C[C@@H](C)c1ccccc1 82810124 572125079 /nfs/dbraw/zinc/12/50/79/572125079.db2.gz OLQQKVRMCMDISU-VXGBXAGGSA-N 1 0 191.318 3.178 10 0 AGAERO CCC[C@H](C)[C@H]([NH3+])[C@@H]1CCC[C@H]1C 300346228 572125081 /nfs/dbraw/zinc/12/50/81/572125081.db2.gz HVVZTOKERMPFPC-KXNHARMFSA-N 1 0 183.339 3.186 10 0 AGAERO CCC[NH2+][C@H](C)C[C@H](C)CC(C)C 82811018 572125094 /nfs/dbraw/zinc/12/50/94/572125094.db2.gz GSLIMVLDIVQHJE-VXGBXAGGSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@H](C)[C@@H]([NH2+]C)[C@H](C)C1CC1 300346527 572125145 /nfs/dbraw/zinc/12/51/45/572125145.db2.gz ITGHUIHONTVZHI-HOSYDEDBSA-N 1 0 183.339 3.057 10 0 AGAERO CCC[C@H](C)[C@]1([NH3+])CC[C@H](CC)C1 300345460 572125236 /nfs/dbraw/zinc/12/52/36/572125236.db2.gz GEBSVWMCMDUBNK-SRVKXCTJSA-N 1 0 183.339 3.330 10 0 AGAERO CCC[NH2+][C@H](CC(C)C)c1ccoc1 69630809 572125239 /nfs/dbraw/zinc/12/52/39/572125239.db2.gz JDEOKWSBELPXCC-GFCCVEGCSA-N 1 0 195.306 3.366 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]CC)[C@H](C)C1CC1 300346730 572125241 /nfs/dbraw/zinc/12/52/41/572125241.db2.gz JVKCRRGIQQSRNH-LOWVWBTDSA-N 1 0 197.366 3.447 10 0 AGAERO CCCC[C@H](C)C[C@H](C)[NH2+]CC 82810049 572125266 /nfs/dbraw/zinc/12/52/66/572125266.db2.gz LSQNOBBANVAKBJ-QWRGUYRKSA-N 1 0 171.328 3.201 10 0 AGAERO CCC[C@H](C[NH2+]CC)[C@H](C)CCC 300343112 572125268 /nfs/dbraw/zinc/12/52/68/572125268.db2.gz KOXMQOFUIWLYRD-VXGBXAGGSA-N 1 0 185.355 3.448 10 0 AGAERO CCC[NH2+]C[C@@H]1CC[C@H]1[C@H](C)CCC 300346234 572125274 /nfs/dbraw/zinc/12/52/74/572125274.db2.gz HWYWMACDGFZORD-AGIUHOORSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@H](C)[C@@H]([NH3+])[C@H](C)CCC 300346674 572125277 /nfs/dbraw/zinc/12/52/77/572125277.db2.gz JJQRDPLOLQIVHR-URLYPYJESA-N 1 0 171.328 3.186 10 0 AGAERO CCC[C@]([NH3+])(CC(C)(C)C)C1CC1 713219236 572125316 /nfs/dbraw/zinc/12/53/16/572125316.db2.gz HEPQNDKCWOTNNC-LBPRGKRZSA-N 1 0 183.339 3.330 10 0 AGAERO CCC[C@@H](C)[C@@](C)(CC)C[NH2+]CC 300344615 572125320 /nfs/dbraw/zinc/12/53/20/572125320.db2.gz RUABCMRFYRQGRY-NEPJUHHUSA-N 1 0 185.355 3.448 10 0 AGAERO CCC[NH2+][C@H](C)C[C@H](C)c1ccoc1 82811034 572125340 /nfs/dbraw/zinc/12/53/40/572125340.db2.gz GEUDTOXNRMRROO-WDEREUQCSA-N 1 0 195.306 3.161 10 0 AGAERO CCC[NH2+][C@H](C)C[C@@H](C)C(C)(C)C 82810682 572125361 /nfs/dbraw/zinc/12/53/61/572125361.db2.gz MRMJGLWOWVNBIS-GHMZBOCLSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[NH2+][C@H](C)C[C@H](C)c1ccco1 82811106 572125391 /nfs/dbraw/zinc/12/53/91/572125391.db2.gz XVSAELRUNULRCE-WDEREUQCSA-N 1 0 195.306 3.161 10 0 AGAERO CCC[C@H](C)[C@@H](C)C[C@H](C)[NH2+]CC 300343632 572125533 /nfs/dbraw/zinc/12/55/33/572125533.db2.gz AWVMSEOAPFYNBO-SRVKXCTJSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@@H](C)[C@H](C)CC[NH2+]CC 300346707 572125547 /nfs/dbraw/zinc/12/55/47/572125547.db2.gz JPIBUKOEGLKKGL-GHMZBOCLSA-N 1 0 171.328 3.058 10 0 AGAERO CCC[NH2+][C@@H](C)C[C@H](C)C(C)(C)C 82810684 572125562 /nfs/dbraw/zinc/12/55/62/572125562.db2.gz MRMJGLWOWVNBIS-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@H](C)[C@H]1CCC[C@H]1[NH2+]CC 300345545 572125582 /nfs/dbraw/zinc/12/55/82/572125582.db2.gz GPWGHQNZZQNISP-QJPTWQEYSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@H](C)[C@H](C)C[C@H](C)[NH2+]CC 300343634 572125615 /nfs/dbraw/zinc/12/56/15/572125615.db2.gz AWVMSEOAPFYNBO-TUAOUCFPSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@@H](C)[C@H]([NH3+])CC(C)(C)C 300343860 572125637 /nfs/dbraw/zinc/12/56/37/572125637.db2.gz BNKTVSSCVISWFD-NXEZZACHSA-N 1 0 171.328 3.186 10 0 AGAERO C[C@H]1CCC[C@@H](C)C1[NH2+][C@@H](C)C1CC1 35136662 572125650 /nfs/dbraw/zinc/12/56/50/572125650.db2.gz CLBYBSYUQMTYKE-NUVITONLSA-N 1 0 195.350 3.199 10 0 AGAERO CCC[C@H](C)[C@H]([NH3+])[C@H]1CC[C@H](C)C1 300344213 572125718 /nfs/dbraw/zinc/12/57/18/572125718.db2.gz PLCXURAFNUCCRF-BJDJZHNGSA-N 1 0 183.339 3.186 10 0 AGAERO CC[NH2+][C@H](C)C[C@@H](C)C(C)(C)C 82809864 572125735 /nfs/dbraw/zinc/12/57/35/572125735.db2.gz USJAXXYHMVTLJP-NXEZZACHSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@@H](C)[C@H](C[NH2+]C)C(C)(C)C 300343113 572125741 /nfs/dbraw/zinc/12/57/41/572125741.db2.gz KPDNKWPBFZGCSF-MNOVXSKESA-N 1 0 185.355 3.304 10 0 AGAERO CCC[C@H](C)[C@H]1CCC[C@H]([NH2+]C)C1 300343584 572125779 /nfs/dbraw/zinc/12/57/79/572125779.db2.gz ATYZQWULDJBCOA-SRVKXCTJSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[NH2+][C@@H](C)C[C@H](C)c1ccco1 82811105 572125785 /nfs/dbraw/zinc/12/57/85/572125785.db2.gz XVSAELRUNULRCE-QWRGUYRKSA-N 1 0 195.306 3.161 10 0 AGAERO CCC[C@H](C)[C@H]([NH3+])[C@H]1CCC[C@H]1C 300346229 572125792 /nfs/dbraw/zinc/12/57/92/572125792.db2.gz HVVZTOKERMPFPC-RHYQMDGZSA-N 1 0 183.339 3.186 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]C)[C@@H]1CCC[C@H]1C 300346845 572125832 /nfs/dbraw/zinc/12/58/32/572125832.db2.gz JYRLSGPQPHKTAV-XQHKEYJVSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H](C)[C@@H]1CCCC[C@H]1C[NH2+]C 300346692 572125844 /nfs/dbraw/zinc/12/58/44/572125844.db2.gz JNAVBMFQCNEDJP-AVGNSLFASA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@@H](C)[C@H]([NH2+]CC)C1(C)CC1 300344463 572125908 /nfs/dbraw/zinc/12/59/08/572125908.db2.gz QUZMGEMFRDKFFJ-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@H](C)[C@@H]1CCC[C@H]1[NH2+]CC 300345547 572125921 /nfs/dbraw/zinc/12/59/21/572125921.db2.gz GPWGHQNZZQNISP-SDDRHHMPSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@@H](C)C[C@@H](C)c1ccccc1 82810122 572125961 /nfs/dbraw/zinc/12/59/61/572125961.db2.gz OLQQKVRMCMDISU-NEPJUHHUSA-N 1 0 191.318 3.178 10 0 AGAERO CCC[C@H](C)[C@@H]([NH2+]C)[C@H]1C[C@@H]2C[C@@H]2C1 300345285 572125998 /nfs/dbraw/zinc/12/59/98/572125998.db2.gz FVVJXKKKWPRACY-IEECTRCBSA-N 1 0 195.350 3.057 10 0 AGAERO CCC[NH2+][C@@H](C)C[C@@H](C)c1ccco1 82811100 572126102 /nfs/dbraw/zinc/12/61/02/572126102.db2.gz XVSAELRUNULRCE-MNOVXSKESA-N 1 0 195.306 3.161 10 0 AGAERO CCC[C@H](C)[C@@H]([NH2+]C)[C@H](C)CCC 300343923 572126017 /nfs/dbraw/zinc/12/60/17/572126017.db2.gz BZLBMKZBCLJKLQ-GDNZZTSVSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@@H](C)[C@H](C)CC[NH2+]C(C)C 300346504 572126036 /nfs/dbraw/zinc/12/60/36/572126036.db2.gz INHFIBDSUCPOQX-VXGBXAGGSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@@H](C)[C@@](F)(C[NH3+])C(C)(C)C 300344532 572126101 /nfs/dbraw/zinc/12/61/01/572126101.db2.gz DFQPNJLVCDWBRC-KOLCDFICSA-N 1 0 189.318 3.136 10 0 AGAERO CCC[C@H](C)[C@@H]1CCC[C@H]([NH2+]C)C1 300343586 572126064 /nfs/dbraw/zinc/12/60/64/572126064.db2.gz ATYZQWULDJBCOA-TUAOUCFPSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@@H](C)[C@H]([NH2+]C)C(C)(C)CC 300345502 572126074 /nfs/dbraw/zinc/12/60/74/572126074.db2.gz GKNBBHWCTVMQIR-MNOVXSKESA-N 1 0 185.355 3.447 10 0 AGAERO CCC[NH2+][C@@H](CCC)c1ccoc1 69630879 572126083 /nfs/dbraw/zinc/12/60/83/572126083.db2.gz RXKLQQXNKUUKOS-NSHDSACASA-N 1 0 181.279 3.120 10 0 AGAERO CCC[NH2+][C@H](C)C[C@H](C)C(C)(C)C 82810685 572126095 /nfs/dbraw/zinc/12/60/95/572126095.db2.gz MRMJGLWOWVNBIS-WDEREUQCSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]CC)[C@H]1CC1(C)C 300344606 572126214 /nfs/dbraw/zinc/12/62/14/572126214.db2.gz DKTCWGUCFWOZRB-TUAOUCFPSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[NH2+][C@@H]([C@H]1C[C@H]1C)[C@H](C)CCC 300345902 572126131 /nfs/dbraw/zinc/12/61/31/572126131.db2.gz HCKYWXQSQDOUPM-FVCCEPFGSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@@H](C)[C@@]1(C(C)C)CCC[NH2+]1 300343954 572126170 /nfs/dbraw/zinc/12/61/70/572126170.db2.gz OQJHMOQFJLIKIT-NEPJUHHUSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@@H](C)[C@H]([NH3+])C1(C)CCCC1 300344579 572126175 /nfs/dbraw/zinc/12/61/75/572126175.db2.gz DJGZBFZRZWUXCU-MNOVXSKESA-N 1 0 183.339 3.330 10 0 AGAERO CCC[NH2+][C@@H]([C@H]1C[C@@H]1C)[C@H](C)CCC 300345903 572126184 /nfs/dbraw/zinc/12/61/84/572126184.db2.gz HCKYWXQSQDOUPM-MROQNXINSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H](C)[C@@H]([NH2+]C)[C@H](C)C(C)C 300346697 572126187 /nfs/dbraw/zinc/12/61/87/572126187.db2.gz JNRIBSZPSCCCAS-QJPTWQEYSA-N 1 0 185.355 3.303 10 0 AGAERO CC[NH2+][C@@H](C)C[C@@H](C)c1cccs1 82810015 572126197 /nfs/dbraw/zinc/12/61/97/572126197.db2.gz JRSINOQDFFRJNK-ZJUUUORDSA-N 1 0 197.347 3.240 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]C)[C@H]1CC[C@H](C)C1 300345431 572126259 /nfs/dbraw/zinc/12/62/59/572126259.db2.gz VWUQJRPDKFTWPD-CYDGBPFRSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H](C)[C@H]1CCCC[C@H]1C[NH2+]C 300346693 572126282 /nfs/dbraw/zinc/12/62/82/572126282.db2.gz JNAVBMFQCNEDJP-RWMBFGLXSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)CCC(C)(C)C[C@@H](C)[NH3+] 82816270 572127782 /nfs/dbraw/zinc/12/77/82/572127782.db2.gz RIPJRHMNKNQJQK-SNVBAGLBSA-N 1 0 171.328 3.186 10 0 AGAERO CCC[C@@H](C)[C@H]([NH3+])c1ccoc1C 300345473 572126356 /nfs/dbraw/zinc/12/63/56/572126356.db2.gz GGLARVPKDXPVMG-KCJUWKMLSA-N 1 0 181.279 3.024 10 0 AGAERO CCC[NH2+][C@@H](C)C[C@@H](C)c1ccoc1 82811027 572126400 /nfs/dbraw/zinc/12/64/00/572126400.db2.gz GEUDTOXNRMRROO-MNOVXSKESA-N 1 0 195.306 3.161 10 0 AGAERO CCC[C@H](C)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] 300345952 572126426 /nfs/dbraw/zinc/12/64/26/572126426.db2.gz HKHJXHAUHJHNDB-XQHKEYJVSA-N 1 0 197.366 3.434 10 0 AGAERO CCCC[C@H](C)C[C@@H](C)[NH2+]CC 82810046 572126464 /nfs/dbraw/zinc/12/64/64/572126464.db2.gz LSQNOBBANVAKBJ-WDEREUQCSA-N 1 0 171.328 3.201 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]C)[C@H]1CCC[C@H]1C 300346843 572126472 /nfs/dbraw/zinc/12/64/72/572126472.db2.gz JYRLSGPQPHKTAV-VOAKCMCISA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H](C)[C@H]([NH3+])[C@H]1CC[C@@H](C)C1 300344215 572126477 /nfs/dbraw/zinc/12/64/77/572126477.db2.gz PLCXURAFNUCCRF-RHYQMDGZSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+]CC=C(C)C)[C@@H]1C 300346433 572126482 /nfs/dbraw/zinc/12/64/82/572126482.db2.gz ZXIWFSCIJRQFTH-UPJWGTAASA-N 1 0 195.350 3.367 10 0 AGAERO CCC[NH2+][C@H](C)C[C@@H](C)c1ccoc1 82811029 572126484 /nfs/dbraw/zinc/12/64/84/572126484.db2.gz GEUDTOXNRMRROO-GHMZBOCLSA-N 1 0 195.306 3.161 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]C)[C@H](C)C1CC1 300346528 572126502 /nfs/dbraw/zinc/12/65/02/572126502.db2.gz ITGHUIHONTVZHI-UMNHJUIQSA-N 1 0 183.339 3.057 10 0 AGAERO CCC[C@H](C)[C@H](C)[C@H](C)C[NH2+]C1CC1 300343361 572126527 /nfs/dbraw/zinc/12/65/27/572126527.db2.gz AKHVBKQGOCQMII-TUAOUCFPSA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@H](C)C[C@H](C)C1CCCC1 82810481 572126506 /nfs/dbraw/zinc/12/65/06/572126506.db2.gz BHWMBJNMECJZQL-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H](C)C[C@H](C)C(C)(C)C 82809868 572126541 /nfs/dbraw/zinc/12/65/41/572126541.db2.gz USJAXXYHMVTLJP-VHSXEESVSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@@H](C)[C@@](C)([NH3+])c1ccccc1 300345893 572126542 /nfs/dbraw/zinc/12/65/42/572126542.db2.gz GZNFTJGDIRLOOF-DGCLKSJQSA-N 1 0 191.318 3.297 10 0 AGAERO CCC[C@H](C)[C@H]([NH3+])[C@@H]1CC[C@H](C)C1 300344217 572126563 /nfs/dbraw/zinc/12/65/63/572126563.db2.gz PLCXURAFNUCCRF-YFKTTZPYSA-N 1 0 183.339 3.186 10 0 AGAERO CC[NH2+][C@@H](c1ccoc1)C1CCCC1 69630902 572126578 /nfs/dbraw/zinc/12/65/78/572126578.db2.gz NXSFQKRLDJOMGP-GFCCVEGCSA-N 1 0 193.290 3.120 10 0 AGAERO CC[NH2+][C@@H](C)C[C@H](C)c1cccs1 82810018 572126586 /nfs/dbraw/zinc/12/65/86/572126586.db2.gz JRSINOQDFFRJNK-UWVGGRQHSA-N 1 0 197.347 3.240 10 0 AGAERO CCCC[C@@H](C)C[C@@H](C)[NH2+]CC 82810044 572126633 /nfs/dbraw/zinc/12/66/33/572126633.db2.gz LSQNOBBANVAKBJ-GHMZBOCLSA-N 1 0 171.328 3.201 10 0 AGAERO CCC[C@@]([NH3+])(CC(C)(C)C)C1CC1 713219233 572126647 /nfs/dbraw/zinc/12/66/47/572126647.db2.gz HEPQNDKCWOTNNC-GFCCVEGCSA-N 1 0 183.339 3.330 10 0 AGAERO CCC[C@@H](C)[C@H](C)CC[NH2+]C1CC1 300346893 572126690 /nfs/dbraw/zinc/12/66/90/572126690.db2.gz KHKYQBUMCGKPAX-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@H](C)[C@@H]1C[C@H](C)CC[C@H]1C[NH3+] 300345951 572126703 /nfs/dbraw/zinc/12/67/03/572126703.db2.gz HKHJXHAUHJHNDB-VOAKCMCISA-N 1 0 197.366 3.434 10 0 AGAERO CCC[C@H](C)[C@@H]([NH2+]CC)[C@H](C)C1CC1 300346729 572126705 /nfs/dbraw/zinc/12/67/05/572126705.db2.gz JVKCRRGIQQSRNH-DMDPSCGWSA-N 1 0 197.366 3.447 10 0 AGAERO C[NH2+][C@@H](C)CC(C)(C)CC(C)C 82816685 572128868 /nfs/dbraw/zinc/12/88/68/572128868.db2.gz KEBVMGCBVDPKGK-JTQLQIEISA-N 1 0 171.328 3.057 10 0 AGAERO CCC[NH2+][C@H](C)C[C@@H](C)c1ccco1 82811103 572126728 /nfs/dbraw/zinc/12/67/28/572126728.db2.gz XVSAELRUNULRCE-GHMZBOCLSA-N 1 0 195.306 3.161 10 0 AGAERO CCC[NH2+]C[C@@H]1CC[C@@H]1[C@H](C)CCC 300346235 572126764 /nfs/dbraw/zinc/12/67/64/572126764.db2.gz HWYWMACDGFZORD-FRRDWIJNSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@H](C)[C@@H]([NH2+]CC)[C@H]1CC1(C)C 300344602 572126785 /nfs/dbraw/zinc/12/67/85/572126785.db2.gz DKTCWGUCFWOZRB-QJPTWQEYSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[NH2+][C@H](C)C[C@@H](C)C(C)C 82811071 572126795 /nfs/dbraw/zinc/12/67/95/572126795.db2.gz LNVIIUZXGXHODJ-GHMZBOCLSA-N 1 0 171.328 3.057 10 0 AGAERO CC[NH2+][C@@H](C)C[C@@H](C)C1CCCC1 82810475 572126812 /nfs/dbraw/zinc/12/68/12/572126812.db2.gz BHWMBJNMECJZQL-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H](C)C[C@@H](C)c1cccs1 82810017 572126834 /nfs/dbraw/zinc/12/68/34/572126834.db2.gz JRSINOQDFFRJNK-NXEZZACHSA-N 1 0 197.347 3.240 10 0 AGAERO CCCC[C@@H](C)C[C@H](C)[NH2+]CC 82810047 572126881 /nfs/dbraw/zinc/12/68/81/572126881.db2.gz LSQNOBBANVAKBJ-MNOVXSKESA-N 1 0 171.328 3.201 10 0 AGAERO CCC[NH2+][C@@H](CC(C)C)c1ccoc1 69630807 572126964 /nfs/dbraw/zinc/12/69/64/572126964.db2.gz JDEOKWSBELPXCC-LBPRGKRZSA-N 1 0 195.306 3.366 10 0 AGAERO CC[NH2+][C@@H](C)C[C@H](C)C(C)(C)C 82809866 572127009 /nfs/dbraw/zinc/12/70/09/572127009.db2.gz USJAXXYHMVTLJP-UWVGGRQHSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[NH2+][C@H](C)C[C@@H](C)CC(C)C 82811014 572127014 /nfs/dbraw/zinc/12/70/14/572127014.db2.gz GSLIMVLDIVQHJE-NWDGAFQWSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+][C@@H](C)C[C@@H](C)C(C)(C)C 82809862 572127030 /nfs/dbraw/zinc/12/70/30/572127030.db2.gz USJAXXYHMVTLJP-ZJUUUORDSA-N 1 0 171.328 3.057 10 0 AGAERO CCCCCC(C)(C)C[C@H](C)[NH3+] 82816341 572127252 /nfs/dbraw/zinc/12/72/52/572127252.db2.gz IPFCZRHPXJLVIB-JTQLQIEISA-N 1 0 171.328 3.330 10 0 AGAERO C[NH2+][C@@H](C)CC(C)(C)C(C)(C)C 82816546 572127393 /nfs/dbraw/zinc/12/73/93/572127393.db2.gz MBIJHMSDGHODML-VIFPVBQESA-N 1 0 171.328 3.057 10 0 AGAERO CC[NH2+][C@H](C)CC(C)(C)C(C)(C)C 82816769 572127398 /nfs/dbraw/zinc/12/73/98/572127398.db2.gz QJIVBOOQHYLQJZ-SNVBAGLBSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@H](C)[C@@H](C)C[C@H](C)[NH2+]C 300349364 572127420 /nfs/dbraw/zinc/12/74/20/572127420.db2.gz QQJHAZRUFPSOSI-DCAQKATOSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@@H](C)[C@H](F)C[NH2+]C(C)(C)C 300349326 572127505 /nfs/dbraw/zinc/12/75/05/572127505.db2.gz QOWGTTAPBXKEBG-NXEZZACHSA-N 1 0 189.318 3.149 10 0 AGAERO CCC[C@H](C)[C@@H]1CC[C@H]1C[NH2+]CC 300349597 572127511 /nfs/dbraw/zinc/12/75/11/572127511.db2.gz RFWCHZSUZJWOIY-SRVKXCTJSA-N 1 0 183.339 3.058 10 0 AGAERO CCC[NH2+][C@@H](C)CC(C)(C)C1CC1 82816916 572127512 /nfs/dbraw/zinc/12/75/12/572127512.db2.gz ORQLWVDSDFLOBF-JTQLQIEISA-N 1 0 183.339 3.201 10 0 AGAERO C[C@@H]([NH3+])CC(C)(C)Cc1ccsc1 82816467 572127526 /nfs/dbraw/zinc/12/75/26/572127526.db2.gz ZDAYHPJKYKOOFB-SECBINFHSA-N 1 0 197.347 3.054 10 0 AGAERO CCC[C@@H]([NH2+]C)c1cccc(F)c1F 69640810 572128551 /nfs/dbraw/zinc/12/85/51/572128551.db2.gz ODMWBORWXCXYHC-SNVBAGLBSA-N 1 0 199.244 3.025 10 0 AGAERO CCCC(C)(C)C[C@@H](C)[NH2+]CC 82816834 572127605 /nfs/dbraw/zinc/12/76/05/572127605.db2.gz PFHPNTJDCXBCPF-SNVBAGLBSA-N 1 0 171.328 3.201 10 0 AGAERO CCC[C@H](C)[C@@H]1CC[C@@H]([NH2+]CC)[C@H]1C 300347555 572127636 /nfs/dbraw/zinc/12/76/36/572127636.db2.gz LJWZAQSYOLAGPU-ZDEQEGDKSA-N 1 0 197.366 3.447 10 0 AGAERO C[NH2+][C@@H](C)CC(C)(C)C1CCCC1 82816714 572127667 /nfs/dbraw/zinc/12/76/67/572127667.db2.gz XUAUZQNVCZNMBR-JTQLQIEISA-N 1 0 183.339 3.201 10 0 AGAERO C[C@@H]([NH3+])CC(C)(C)Cc1cccs1 82816489 572127693 /nfs/dbraw/zinc/12/76/93/572127693.db2.gz DAVNAWPLMFDAFB-SECBINFHSA-N 1 0 197.347 3.054 10 0 AGAERO CCC[NH2+][C@H](C)CC(C)(C)C(C)C 82816919 572127708 /nfs/dbraw/zinc/12/77/08/572127708.db2.gz QHYISIAEGBUEOA-LLVKDONJSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[NH2+][C@H](C)CC(C)(C)C1CC1 82816917 572127725 /nfs/dbraw/zinc/12/77/25/572127725.db2.gz ORQLWVDSDFLOBF-SNVBAGLBSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@@H](C)[C@H]([NH2+]C)c1coc(C)c1 300347266 572127752 /nfs/dbraw/zinc/12/77/52/572127752.db2.gz KTYFAUGELPXILY-SKDRFNHKSA-N 1 0 195.306 3.285 10 0 AGAERO CCC[C@H](C)[C@H]1C[C@H](CC)CC[NH2+]1 300347716 572127756 /nfs/dbraw/zinc/12/77/56/572127756.db2.gz MHHHEIBHQOHXII-QJPTWQEYSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@H]([NH3+])CC(C)(C)Cc1cccs1 82816488 572127769 /nfs/dbraw/zinc/12/77/69/572127769.db2.gz DAVNAWPLMFDAFB-VIFPVBQESA-N 1 0 197.347 3.054 10 0 AGAERO CCC[C@H](C)[C@H]1CCCC[C@H]1C[NH3+] 300349710 572127825 /nfs/dbraw/zinc/12/78/25/572127825.db2.gz RWFCYRZUYQMBLI-SDDRHHMPSA-N 1 0 183.339 3.188 10 0 AGAERO C[NH2+][C@H](C)CC(C)(C)C(C)(C)C 82816547 572127865 /nfs/dbraw/zinc/12/78/65/572127865.db2.gz MBIJHMSDGHODML-SECBINFHSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@H](C)[C@H]1CCC[C@H]1C[NH2+]C 300349334 572127908 /nfs/dbraw/zinc/12/79/08/572127908.db2.gz QPCRTOAMCUMZHK-SDDRHHMPSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)CCC(C)(C)C[C@H](C)[NH3+] 82816271 572127927 /nfs/dbraw/zinc/12/79/27/572127927.db2.gz RIPJRHMNKNQJQK-JTQLQIEISA-N 1 0 171.328 3.186 10 0 AGAERO C[NH2+][C@H](C)CC(C)(C)CC(C)C 82816684 572127938 /nfs/dbraw/zinc/12/79/38/572127938.db2.gz KEBVMGCBVDPKGK-SNVBAGLBSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@H]([NH2+]C)c1cccc(F)c1F 69640806 572127950 /nfs/dbraw/zinc/12/79/50/572127950.db2.gz ODMWBORWXCXYHC-JTQLQIEISA-N 1 0 199.244 3.025 10 0 AGAERO C[NH2+][C@H](C[C@H](C)CC(C)C)C1(C)CC1 300951347 572127969 /nfs/dbraw/zinc/12/79/69/572127969.db2.gz PSFQVQLFJSORRQ-VXGBXAGGSA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@@H](C)CC(C)(C)CC(C)C 82816832 572127984 /nfs/dbraw/zinc/12/79/84/572127984.db2.gz QWIIWZLYHDBZLI-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO C[C@@H](CC1CC1)[NH2+]Cc1ccsc1 69663658 572127985 /nfs/dbraw/zinc/12/79/85/572127985.db2.gz GBDVZDIGSHOGNL-VIFPVBQESA-N 1 0 195.331 3.026 10 0 AGAERO C[C@H]([NH3+])CC(C)(C)Cc1ccsc1 82816466 572127989 /nfs/dbraw/zinc/12/79/89/572127989.db2.gz ZDAYHPJKYKOOFB-VIFPVBQESA-N 1 0 197.347 3.054 10 0 AGAERO CCC[C@@H](C)[C@H]([NH3+])C1C(C)(C)C1(C)C 300349137 572127992 /nfs/dbraw/zinc/12/79/92/572127992.db2.gz QHILJIROGWOJGE-ZJUUUORDSA-N 1 0 197.366 3.432 10 0 AGAERO C[C@@H](CC1CC1)[NH2+]CCC(C)(C)C 69662550 572127996 /nfs/dbraw/zinc/12/79/96/572127996.db2.gz YBRLDZKYEKLHAA-JTQLQIEISA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@H](C)[C@@H]1C[C@H](CC)CC[NH2+]1 300347717 572128006 /nfs/dbraw/zinc/12/80/06/572128006.db2.gz MHHHEIBHQOHXII-TUAOUCFPSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@H](C)CC(C)(C)C1CCCC1 82816715 572128054 /nfs/dbraw/zinc/12/80/54/572128054.db2.gz XUAUZQNVCZNMBR-SNVBAGLBSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[NH2+][C@H](C)CC(C)(C)CC 82816885 572128077 /nfs/dbraw/zinc/12/80/77/572128077.db2.gz KKCJPUNEMSEWSW-SNVBAGLBSA-N 1 0 171.328 3.201 10 0 AGAERO CCCC(C)(C)C[C@H](C)[NH2+]CC 82816836 572128102 /nfs/dbraw/zinc/12/81/02/572128102.db2.gz PFHPNTJDCXBCPF-JTQLQIEISA-N 1 0 171.328 3.201 10 0 AGAERO CCC[NH2+][C@@H](C)CC(C)(C)CC 82816884 572128106 /nfs/dbraw/zinc/12/81/06/572128106.db2.gz KKCJPUNEMSEWSW-JTQLQIEISA-N 1 0 171.328 3.201 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])[C@H](C)c1ccccc1 300349020 572128111 /nfs/dbraw/zinc/12/81/11/572128111.db2.gz XEJLMXCIOFKQQR-LOWVWBTDSA-N 1 0 191.318 3.164 10 0 AGAERO CCC[C@H](C)[C@H]1CC[C@H]1C[NH2+]CC 300349595 572128117 /nfs/dbraw/zinc/12/81/17/572128117.db2.gz RFWCHZSUZJWOIY-SDDRHHMPSA-N 1 0 183.339 3.058 10 0 AGAERO CCCC[C@H](CC)C[NH2+]CCCF 300339657 572128153 /nfs/dbraw/zinc/12/81/53/572128153.db2.gz MLZOGGGLMQYIDR-NSHDSACASA-N 1 0 189.318 3.152 10 0 AGAERO CCC[C@H](C)[C@@H]1CC[C@H]([NH2+]CC)[C@H]1C 300347551 572128229 /nfs/dbraw/zinc/12/82/29/572128229.db2.gz LJWZAQSYOLAGPU-CYDGBPFRSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)CC1CC1 69664262 572128251 /nfs/dbraw/zinc/12/82/51/572128251.db2.gz ZBHPEXZDWSATRC-MNOVXSKESA-N 1 0 183.339 3.199 10 0 AGAERO C[NH2+][C@@H](C)CC(C)(C)CCC(C)C 82816527 572128281 /nfs/dbraw/zinc/12/82/81/572128281.db2.gz XCOKSDWOWYZXQU-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@@H](C)C[NH2+][C@@H](C)CC1CC1 69664135 572128300 /nfs/dbraw/zinc/12/83/00/572128300.db2.gz BXHALPFKWYYBSB-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H](C)CC(C)(C)CC(C)C 82816833 572128316 /nfs/dbraw/zinc/12/83/16/572128316.db2.gz QWIIWZLYHDBZLI-LLVKDONJSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+][C@H](C)CC(C)(C)C(C)C 82816819 572128327 /nfs/dbraw/zinc/12/83/27/572128327.db2.gz WXMHGIFQECBEFI-SNVBAGLBSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@@H](C)[C@H]([NH2+]C)c1occc1C 300349683 572128375 /nfs/dbraw/zinc/12/83/75/572128375.db2.gz RSCFMOOLDCRKNZ-KOLCDFICSA-N 1 0 195.306 3.285 10 0 AGAERO CC[C@@H](C)CC(C)(C)C[C@@H](C)[NH3+] 82816264 572128415 /nfs/dbraw/zinc/12/84/15/572128415.db2.gz ZPEXXLNWBLFUMK-NXEZZACHSA-N 1 0 171.328 3.186 10 0 AGAERO C[C@@H]([NH3+])CC(C)(C)CC1CCCC1 82816379 572128423 /nfs/dbraw/zinc/12/84/23/572128423.db2.gz XPABUKMEIAWKNC-SNVBAGLBSA-N 1 0 183.339 3.330 10 0 AGAERO C[C@H]([NH3+])CC(C)(C)CC1CCCC1 82816378 572128513 /nfs/dbraw/zinc/12/85/13/572128513.db2.gz XPABUKMEIAWKNC-JTQLQIEISA-N 1 0 183.339 3.330 10 0 AGAERO CCCCC(C)(C)C[C@@H](C)[NH2+]C 82816600 572128526 /nfs/dbraw/zinc/12/85/26/572128526.db2.gz AIOWEZQHGVLPSO-SNVBAGLBSA-N 1 0 171.328 3.201 10 0 AGAERO CCC[C@H](C)[C@@H]1CCCC[C@H]1C[NH3+] 300349712 572128528 /nfs/dbraw/zinc/12/85/28/572128528.db2.gz RWFCYRZUYQMBLI-SRVKXCTJSA-N 1 0 183.339 3.188 10 0 AGAERO CCCCCC(C)(C)C[C@@H](C)[NH3+] 82816340 572128591 /nfs/dbraw/zinc/12/85/91/572128591.db2.gz IPFCZRHPXJLVIB-SNVBAGLBSA-N 1 0 171.328 3.330 10 0 AGAERO CCCCC(C)(C)C[C@H](C)[NH2+]C 82816601 572128671 /nfs/dbraw/zinc/12/86/71/572128671.db2.gz AIOWEZQHGVLPSO-JTQLQIEISA-N 1 0 171.328 3.201 10 0 AGAERO CC[NH2+]C[C@H]1C(C)(C)[C@@]1(C)C1(C)CC1 300951738 572128697 /nfs/dbraw/zinc/12/86/97/572128697.db2.gz HFIRYHMMMZQVOS-GWCFXTLKSA-N 1 0 195.350 3.058 10 0 AGAERO CCC[C@H](C)[C@@H]1CCC[C@H]1C[NH2+]C 300349336 572128698 /nfs/dbraw/zinc/12/86/98/572128698.db2.gz QPCRTOAMCUMZHK-SRVKXCTJSA-N 1 0 183.339 3.058 10 0 AGAERO CC[C@H](C)CC(C)(C)C[C@H](C)[NH3+] 82816267 572128714 /nfs/dbraw/zinc/12/87/14/572128714.db2.gz ZPEXXLNWBLFUMK-UWVGGRQHSA-N 1 0 171.328 3.186 10 0 AGAERO CCCC[C@H](C)[NH2+][C@@H](C)CC1CC1 69664424 572128724 /nfs/dbraw/zinc/12/87/24/572128724.db2.gz YECJIZNOXDEBKQ-QWRGUYRKSA-N 1 0 183.339 3.343 10 0 AGAERO CCCC[C@@H](C)[NH2+][C@H](C)CC1CC1 69664427 572128836 /nfs/dbraw/zinc/12/88/36/572128836.db2.gz YECJIZNOXDEBKQ-GHMZBOCLSA-N 1 0 183.339 3.343 10 0 AGAERO C[NH2+][C@@H](C[C@@H](C)CC(C)C)C1(C)CC1 300951345 572128846 /nfs/dbraw/zinc/12/88/46/572128846.db2.gz PSFQVQLFJSORRQ-RYUDHWBXSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccoc1C 300349087 572128861 /nfs/dbraw/zinc/12/88/61/572128861.db2.gz PWZYRRASNBPFSJ-SKDRFNHKSA-N 1 0 195.306 3.285 10 0 AGAERO CC[NH2+][C@H](CC)c1cccc(F)c1F 69640784 572129133 /nfs/dbraw/zinc/12/91/33/572129133.db2.gz IQHUSNFVLRHXPQ-SNVBAGLBSA-N 1 0 199.244 3.025 10 0 AGAERO CC[C@H](C)[C@@H]([NH3+])[C@H](C)c1ccccc1 300349018 572129220 /nfs/dbraw/zinc/12/92/20/572129220.db2.gz XEJLMXCIOFKQQR-DMDPSCGWSA-N 1 0 191.318 3.164 10 0 AGAERO CCCC[C@@H](C)[NH2+][C@@H](C)CC1CC1 69664422 572129629 /nfs/dbraw/zinc/12/96/29/572129629.db2.gz YECJIZNOXDEBKQ-MNOVXSKESA-N 1 0 183.339 3.343 10 0 AGAERO CCC[C@H](C)C[NH2+][C@@H](C)CC1CC1 69664137 572129258 /nfs/dbraw/zinc/12/92/58/572129258.db2.gz BXHALPFKWYYBSB-QWRGUYRKSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@@H](CC1CC1)[NH2+][C@H](C)c1ccco1 69663711 572129261 /nfs/dbraw/zinc/12/92/61/572129261.db2.gz NGZSNDBNFSOVBE-VHSXEESVSA-N 1 0 193.290 3.119 10 0 AGAERO CC[C@H](C)[NH2+]C1C[C@@H](C)C[C@@H](C)C1 82829349 572129313 /nfs/dbraw/zinc/12/93/13/572129313.db2.gz PRVZGPSVNDWCCN-PSIUFMSWSA-N 1 0 183.339 3.199 10 0 AGAERO CCC[C@H]([NH3+])C1C[C@@H](C)C[C@@H](C)C1 82833404 572129362 /nfs/dbraw/zinc/12/93/62/572129362.db2.gz UOIANUWHSNKXCO-MBYGNEARSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCC[C@@H]1C 69663649 572129637 /nfs/dbraw/zinc/12/96/37/572129637.db2.gz IZQQHDXZXFVUAS-GMXVVIOVSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@H]1C[C@H]1[NH2+][C@H]1CCCC[C@H]1CC 300358850 572129398 /nfs/dbraw/zinc/12/93/98/572129398.db2.gz BVQFCXBNCBHAJV-MROQNXINSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2CC)C1 300357496 572129431 /nfs/dbraw/zinc/12/94/31/572129431.db2.gz AAXIFPMWSCZPAY-FVCCEPFGSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC2(C)C)C1 300357618 572129644 /nfs/dbraw/zinc/12/96/44/572129644.db2.gz ISSRLJWTIKHFHN-IJLUTSLNSA-N 1 0 195.350 3.201 10 0 AGAERO CC[NH2+]C[C@H]1C(C)(C)[C@]1(C)C1(C)CC1 300951739 572129515 /nfs/dbraw/zinc/12/95/15/572129515.db2.gz HFIRYHMMMZQVOS-GXFFZTMASA-N 1 0 195.350 3.058 10 0 AGAERO CC[C@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CC 300358852 572129648 /nfs/dbraw/zinc/12/96/48/572129648.db2.gz BVQFCXBNCBHAJV-VOAKCMCISA-N 1 0 195.350 3.343 10 0 AGAERO CC[NH2+]CCC[C@H](C)CC(C)C 300951629 572129558 /nfs/dbraw/zinc/12/95/58/572129558.db2.gz PUKYETNNJQFJQY-NSHDSACASA-N 1 0 171.328 3.058 10 0 AGAERO CC(C)C[C@@H](C)[NH2+][C@H](C)CC1CC1 69664269 572129745 /nfs/dbraw/zinc/12/97/45/572129745.db2.gz ZBHPEXZDWSATRC-GHMZBOCLSA-N 1 0 183.339 3.199 10 0 AGAERO C[NH2+][C@@H](C[C@H](C)CC(C)C)C1(C)CC1 300951338 572129779 /nfs/dbraw/zinc/12/97/79/572129779.db2.gz PSFQVQLFJSORRQ-NEPJUHHUSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H](C)C[NH2+][C@H]1C[C@H]1CCC 300358470 572129860 /nfs/dbraw/zinc/12/98/60/572129860.db2.gz HKOMMXJOIKIGTR-TUAOUCFPSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@@H](C)C[NH2+][C@H](C)CC1CC1 69664141 572129876 /nfs/dbraw/zinc/12/98/76/572129876.db2.gz BXHALPFKWYYBSB-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)[C@@H]([NH3+])C1C[C@@H](C)C[C@@H](C)C1 82833391 572129880 /nfs/dbraw/zinc/12/98/80/572129880.db2.gz XTMMCCQYWRKWHS-AYLPWXGPSA-N 1 0 183.339 3.042 10 0 AGAERO CCC[C@H](C)C[NH2+][C@H](C)CC1CC1 69664142 572129885 /nfs/dbraw/zinc/12/98/85/572129885.db2.gz BXHALPFKWYYBSB-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H](CC)C1 300357499 572129888 /nfs/dbraw/zinc/12/98/88/572129888.db2.gz AAXIFPMWSCZPAY-VOAKCMCISA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)CC1CC1 69662021 572129891 /nfs/dbraw/zinc/12/98/91/572129891.db2.gz DOIINTGHDKTEHU-VWYCJHECSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccsc1 300358159 572129896 /nfs/dbraw/zinc/12/98/96/572129896.db2.gz CFQXJNTWRSAWFB-FXPVBKGRSA-N 1 0 195.331 3.197 10 0 AGAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]2CC)C1 300357498 572129903 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C[C@@H]1CC([NH2+][C@@H]2CC2(C)C)C[C@H](C)C1 82830458 572131039 /nfs/dbraw/zinc/13/10/39/572131039.db2.gz KBPMDDYGWVNXLH-AYLPWXGPSA-N 1 0 195.350 3.199 10 0 AGAERO CC[C@H](CC1CC1)N1CCCCC1=[NH2+] 69666763 572131067 /nfs/dbraw/zinc/13/10/67/572131067.db2.gz DOZJFMHUMJNQFW-LLVKDONJSA-N 1 0 194.322 3.028 10 0 AGAERO CCC(C)(C)CC([NH3+])(CC)CC 713219547 572131080 /nfs/dbraw/zinc/13/10/80/572131080.db2.gz IGRQJGRXDCMXLE-UHFFFAOYSA-N 1 0 171.328 3.330 10 0 AGAERO C[NH2+]C/C(=C/[C@@H](C)CC(C)C)C(C)C 300952246 572131095 /nfs/dbraw/zinc/13/10/95/572131095.db2.gz PVXWEVIKJKGGPA-OEMOTLHWSA-N 1 0 197.366 3.470 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)C1 300357619 572131102 /nfs/dbraw/zinc/13/11/02/572131102.db2.gz ISSRLJWTIKHFHN-UTUOFQBUSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@H]1C[C@@H](C)CC([NH3+])(C2CCCC2)C1 82830863 572131120 /nfs/dbraw/zinc/13/11/20/572131120.db2.gz FPICURHETNVIHT-QYJAPNMZSA-N 1 0 195.350 3.330 10 0 AGAERO CC[NH2+][C@H](c1cccc(F)c1)C(C)C 37466161 572131140 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IWTIOQWDEOTFDE-CMPLNLGQSA-N 1 0 195.350 3.343 10 0 AGAERO C[NH2+]C/C(=C/[C@H](C)CC(C)C)C(C)C 300952248 572131345 /nfs/dbraw/zinc/13/13/45/572131345.db2.gz PVXWEVIKJKGGPA-YFBAIUBQSA-N 1 0 197.366 3.470 10 0 AGAERO C[C@@H]1CC(C2([NH3+])CCCC2)C[C@H](C)C1 82833174 572131383 /nfs/dbraw/zinc/13/13/83/572131383.db2.gz RYNZQPTXZVBLBQ-FOSCPWQOSA-N 1 0 195.350 3.330 10 0 AGAERO CC[C@@H](CC1CC1)[NH2+]C[C@H](C)CC 69671932 572131388 /nfs/dbraw/zinc/13/13/88/572131388.db2.gz BCAHZJOESXBZMI-PWSUYJOCSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H](CC1CC1)[NH2+][C@H](C)C(C)C 69671722 572131513 /nfs/dbraw/zinc/13/15/13/572131513.db2.gz GSEQAETWWRMFRP-PWSUYJOCSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@@H](CC1CC1)[NH2+][C@@H](C)C1(C)CC1 69671204 572131515 /nfs/dbraw/zinc/13/15/15/572131515.db2.gz IWTIOQWDEOTFDE-JQWIXIFHSA-N 1 0 195.350 3.343 10 0 AGAERO CCCCC1([NH3+])C[C@@H](C)C[C@@H](C)C1 82830831 572131519 /nfs/dbraw/zinc/13/15/19/572131519.db2.gz FKSNDTSXWUAZQK-FOSCPWQOSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1CC 300358849 572131533 /nfs/dbraw/zinc/13/15/33/572131533.db2.gz BVQFCXBNCBHAJV-FVCCEPFGSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@@]([NH3+])(CC(C)C)c1ccccc1 37462593 572131536 /nfs/dbraw/zinc/13/15/36/572131536.db2.gz LOAIIUXGDMTAGZ-CYBMUJFWSA-N 1 0 191.318 3.297 10 0 AGAERO CCC(CC)[NH2+][C@H](CC)CC1CC1 69671377 572131579 /nfs/dbraw/zinc/13/15/79/572131579.db2.gz GSUMTILPSGNEGX-GFCCVEGCSA-N 1 0 183.339 3.343 10 0 AGAERO CC[C@@H](C)C[NH2+]C1C[C@@H](C)C[C@@H](C)C1 82830500 572131580 /nfs/dbraw/zinc/13/15/80/572131580.db2.gz SGQCPVBRNZWMFC-FKJOKYEKSA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+]C[C@H]1CC12C[C@@H](C)C[C@@H](C)C2 82832180 572131665 /nfs/dbraw/zinc/13/16/65/572131665.db2.gz UAKKHPINOAMCLI-DAAZQVBGSA-N 1 0 195.350 3.058 10 0 AGAERO CCC[C@@H](C)[NH2+][C@@H](CC)CC1CC1 69671885 572131753 /nfs/dbraw/zinc/13/17/53/572131753.db2.gz DMVIUETVFDLGNI-PWSUYJOCSA-N 1 0 183.339 3.343 10 0 AGAERO CCC[C@H](CC)[NH2+][C@H]1C[C@H]1CCC 300359128 572131881 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183.339 3.044 10 0 AGAERO CCC[C@]([NH3+])(c1ccccc1)C(C)C 37462601 572132032 /nfs/dbraw/zinc/13/20/32/572132032.db2.gz UFICDFUPMWCBPL-CYBMUJFWSA-N 1 0 191.318 3.297 10 0 AGAERO CC[C@@H](CC1CC1)[NH2+]C1CCCC1 69671525 572132089 /nfs/dbraw/zinc/13/20/89/572132089.db2.gz LVTGKMKFSPYMNX-NSHDSACASA-N 1 0 181.323 3.097 10 0 AGAERO CC[C@H](CC1CC1)[NH2+][C@H](C)C1(C)CC1 69671212 572132112 /nfs/dbraw/zinc/13/21/12/572132112.db2.gz IWTIOQWDEOTFDE-ZYHUDNBSSA-N 1 0 195.350 3.343 10 0 AGAERO C[NH2+][C@H](CC(C)C)c1cccc(F)c1 37466153 572132137 /nfs/dbraw/zinc/13/21/37/572132137.db2.gz YGCQSUOJIGYXIF-GFCCVEGCSA-N 1 0 195.281 3.132 10 0 AGAERO CC[C@H](CC1CC1)[NH2+]CC1CCCC1 69670844 572132142 /nfs/dbraw/zinc/13/21/42/572132142.db2.gz DNVWPWFPOHXVHZ-CYBMUJFWSA-N 1 0 195.350 3.345 10 0 AGAERO CCCCC[NH2+][C@@H](CC)CC1CC1 69671196 572132212 /nfs/dbraw/zinc/13/22/12/572132212.db2.gz BLRHTLHOPQKNPH-LBPRGKRZSA-N 1 0 183.339 3.345 10 0 AGAERO CC(C)C[C@@]1([NH3+])CC[C@@H](C)[C@@H](C)C1 82836526 572132232 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191.318 3.446 10 0 AGAERO CCC[NH2+][C@@H](CCC)CC(C)C 37468241 572134735 /nfs/dbraw/zinc/13/47/35/572134735.db2.gz XZBAZJWGJZSCJM-NSHDSACASA-N 1 0 171.328 3.201 10 0 AGAERO CCC[C@H]([NH2+]C)c1cccc(Cl)c1 37467289 572134772 /nfs/dbraw/zinc/13/47/72/572134772.db2.gz FCSDPBNENXBDFB-NSHDSACASA-N 1 0 197.709 3.401 10 0 AGAERO CCC[NH2+][C@H](c1ccsc1)C(C)C 37467797 572134784 /nfs/dbraw/zinc/13/47/84/572134784.db2.gz FWQCSXNCBGFGGB-NSHDSACASA-N 1 0 197.347 3.445 10 0 AGAERO C[NH2+][C@H](CC(C)C)c1ccccc1C 37468181 572134826 /nfs/dbraw/zinc/13/48/26/572134826.db2.gz PGZGAFNVGVYRGU-CYBMUJFWSA-N 1 0 191.318 3.302 10 0 AGAERO C[NH2+][C@H](CC(C)C)c1cccc(C)c1 37468169 572134883 /nfs/dbraw/zinc/13/48/83/572134883.db2.gz OMIBHVUSMZJYJC-CYBMUJFWSA-N 1 0 191.318 3.302 10 0 AGAERO CCC[C@@H]([NH2+]C)c1cccc(Cl)c1 37467290 572134947 /nfs/dbraw/zinc/13/49/47/572134947.db2.gz FCSDPBNENXBDFB-LLVKDONJSA-N 1 0 197.709 3.401 10 0 AGAERO CCC[C@@H](C)[C@H](C[NH3+])C1=CCCCC1 300350452 572134956 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3.302 10 0 AGAERO CCC[NH2+][C@H](CC)c1ccccc1C 37468524 572135210 /nfs/dbraw/zinc/13/52/10/572135210.db2.gz LJTGRRXLNFYYND-CYBMUJFWSA-N 1 0 191.318 3.446 10 0 AGAERO CCCCC[C@H](C)[NH2+][C@@H]1C[C@H]1CC 300360516 572135250 /nfs/dbraw/zinc/13/52/50/572135250.db2.gz ZQNUZTQCAAWITP-QJPTWQEYSA-N 1 0 183.339 3.343 10 0 AGAERO CCC[C@H]([NH2+]C)c1cccc(C)c1 37468538 572135275 /nfs/dbraw/zinc/13/52/75/572135275.db2.gz VPVZVKMALLNNQK-LBPRGKRZSA-N 1 0 177.291 3.056 10 0 AGAERO CCC[C@H](C)[C@@]1(C)CC[C@H]([NH2+]C)C1 300349843 572135315 /nfs/dbraw/zinc/13/53/15/572135315.db2.gz SGBFUVSLTQXDGI-SRVKXCTJSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@H](C)[C@H](C)[C@H](C)[NH2+]CC 300350772 572137558 /nfs/dbraw/zinc/13/75/58/572137558.db2.gz XXGFZBMICXFZFE-DCAQKATOSA-N 1 0 171.328 3.057 10 0 AGAERO CC[NH2+][C@@H](c1cccc(C)c1)C1CC1 37468948 572135571 /nfs/dbraw/zinc/13/55/71/572135571.db2.gz RVGYRLSPTVGSPA-CYBMUJFWSA-N 1 0 189.302 3.056 10 0 AGAERO CCC[NH2+][C@H](CC(C)C)C(C)(C)C 37469081 572136013 /nfs/dbraw/zinc/13/60/13/572136013.db2.gz WGNBVGGYKAULKE-LLVKDONJSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@H](C)[C@H](C)[C@H](C)[NH2+]C1CC1 300350537 572136065 /nfs/dbraw/zinc/13/60/65/572136065.db2.gz WLBZZYSVXLOLOJ-DCAQKATOSA-N 1 0 183.339 3.199 10 0 AGAERO CCC[C@@H](C)[C@H]([NH3+])C(C)(C)CC 300350765 572137583 /nfs/dbraw/zinc/13/75/83/572137583.db2.gz XWMNXZSUCOAKTQ-ZJUUUORDSA-N 1 0 171.328 3.186 10 0 AGAERO CCC[C@@H](C)[C@H]([NH3+])c1coc(C)c1 300351046 572136177 /nfs/dbraw/zinc/13/61/77/572136177.db2.gz ZXLVOIWTWKXRKW-KCJUWKMLSA-N 1 0 181.279 3.024 10 0 AGAERO CC[NH2+][C@H](c1cccc(C)c1)C1CC1 37468950 572136302 /nfs/dbraw/zinc/13/63/02/572136302.db2.gz RVGYRLSPTVGSPA-ZDUSSCGKSA-N 1 0 189.302 3.056 10 0 AGAERO CC[NH2+][C@H](CC(C)C)C(C)(C)C 37469051 572136343 /nfs/dbraw/zinc/13/63/43/572136343.db2.gz WMINVEPQCGLTKU-SNVBAGLBSA-N 1 0 171.328 3.057 10 0 AGAERO CC[NH2+][C@@H](C1CCCC1)C(C)(C)C 37469046 572136382 /nfs/dbraw/zinc/13/63/82/572136382.db2.gz IQJYUJDDWDFBAV-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO C/C(=C/[C@@H](C)CC(C)C)C[NH2+]C1CC1 300954272 572136493 /nfs/dbraw/zinc/13/64/93/572136493.db2.gz QCKCPDRABCPWDH-LCFDYFRESA-N 1 0 195.350 3.367 10 0 AGAERO CC[NH2+][C@@H](CC)c1ccc(C)c(F)c1 37468746 572136691 /nfs/dbraw/zinc/13/66/91/572136691.db2.gz HUPBZSIQBZJCOS-LBPRGKRZSA-N 1 0 195.281 3.195 10 0 AGAERO CCC[NH2+][C@@H](C(C)C)C(C)(C)C 37469072 572136694 /nfs/dbraw/zinc/13/66/94/572136694.db2.gz RAAIZNATLYCQAM-JTQLQIEISA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]C)[C@@H]1[C@H]2CCC[C@H]21 300350540 572136707 /nfs/dbraw/zinc/13/67/07/572136707.db2.gz WLCGUZPQZQXTBA-YYHQMBLXSA-N 1 0 195.350 3.057 10 0 AGAERO CCC[C@@H](C)[C@H](C[NH3+])c1ccccc1 300350623 572136724 /nfs/dbraw/zinc/13/67/24/572136724.db2.gz XAVLLYRMWRHFFE-YPMHNXCESA-N 1 0 191.318 3.165 10 0 AGAERO CCC[NH2+][C@@H](CC(C)C)C(C)(C)C 37469080 572137047 /nfs/dbraw/zinc/13/70/47/572137047.db2.gz WGNBVGGYKAULKE-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CCC[NH2+][C@@H](C1CCCCC1)C1CC1 37468980 572137077 /nfs/dbraw/zinc/13/70/77/572137077.db2.gz CLOVUNNGWZPCOJ-ZDUSSCGKSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@H]([NH2+]C)c1ccc(C)c(F)c1 37468730 572137329 /nfs/dbraw/zinc/13/73/29/572137329.db2.gz DQXZESPKKGPKCB-LBPRGKRZSA-N 1 0 195.281 3.195 10 0 AGAERO CC[NH2+][C@H](C1CCCC1)C(C)(C)C 37469047 572137475 /nfs/dbraw/zinc/13/74/75/572137475.db2.gz IQJYUJDDWDFBAV-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H](CC)c1ccc(C)c(F)c1 37468748 572137478 /nfs/dbraw/zinc/13/74/78/572137478.db2.gz HUPBZSIQBZJCOS-GFCCVEGCSA-N 1 0 195.281 3.195 10 0 AGAERO CCC[C@H](C)[C@@](C)([NH3+])[C@H](C)CC 300351030 572137517 /nfs/dbraw/zinc/13/75/17/572137517.db2.gz ZSNBSCDFQWDMNM-VWYCJHECSA-N 1 0 171.328 3.186 10 0 AGAERO CCC[NH2+][C@H](C1CCCCC1)C1CC1 37468982 572137609 /nfs/dbraw/zinc/13/76/09/572137609.db2.gz CLOVUNNGWZPCOJ-CYBMUJFWSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@@H](C)[C@H](C[NH3+])c1cccs1 300350878 572137697 /nfs/dbraw/zinc/13/76/97/572137697.db2.gz YQFRKQLJDQESAB-ZJUUUORDSA-N 1 0 197.347 3.227 10 0 AGAERO C/C(=C/[C@H](C)CC(C)C)C[NH2+]C1CC1 300954268 572137703 /nfs/dbraw/zinc/13/77/03/572137703.db2.gz QCKCPDRABCPWDH-HQQGHWSLSA-N 1 0 195.350 3.367 10 0 AGAERO CCC[C@@H]([NH2+]C)c1ccc(C)c(F)c1 37468732 572138006 /nfs/dbraw/zinc/13/80/06/572138006.db2.gz DQXZESPKKGPKCB-GFCCVEGCSA-N 1 0 195.281 3.195 10 0 AGAERO CC[NH2+][C@@H](CC(C)C)C(C)(C)C 37469050 572138173 /nfs/dbraw/zinc/13/81/73/572138173.db2.gz WMINVEPQCGLTKU-JTQLQIEISA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@H](C)[C@@H](C)[C@H](C)[NH2+]C1CC1 300350536 572138264 /nfs/dbraw/zinc/13/82/64/572138264.db2.gz WLBZZYSVXLOLOJ-AXFHLTTASA-N 1 0 183.339 3.199 10 0 AGAERO CCC[NH2+][C@H](C(C)C)C(C)(C)C 37469073 572138299 /nfs/dbraw/zinc/13/82/99/572138299.db2.gz RAAIZNATLYCQAM-SNVBAGLBSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]CC)[C@H]1C[C@H]1C 300351051 572138319 /nfs/dbraw/zinc/13/83/19/572138319.db2.gz ZYNJFAFPROECSD-USZNOCQGSA-N 1 0 183.339 3.057 10 0 AGAERO CCC[C@@H]1C[C@H]1[NH2+]CC(C)(C)C(C)C 713220488 572139514 /nfs/dbraw/zinc/13/95/14/572139514.db2.gz MVSXNBGWHPXVGJ-VXGBXAGGSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)C(C)C 713220480 572138795 /nfs/dbraw/zinc/13/87/95/572138795.db2.gz MVSXNBGWHPXVGJ-NEPJUHHUSA-N 1 0 197.366 3.447 10 0 AGAERO CCCC(=[NH2+])NC[C@H]1CCC[C@H](C)C1 300363191 572139142 /nfs/dbraw/zinc/13/91/42/572139142.db2.gz SWQALUCWPPBYKY-QWRGUYRKSA-N 1 0 196.338 3.180 10 0 AGAERO CC[NH2+][C@H](CC1CC1)[C@@H]1CCC[C@H]1C 300369861 572139196 /nfs/dbraw/zinc/13/91/96/572139196.db2.gz RWGSETXDKCWJRY-RAIGVLPGSA-N 1 0 195.350 3.201 10 0 AGAERO CCCC(=[NH2+])NC[C@@H]1CCC[C@H](C)C1 300363193 572139300 /nfs/dbraw/zinc/13/93/00/572139300.db2.gz SWQALUCWPPBYKY-WDEREUQCSA-N 1 0 196.338 3.180 10 0 AGAERO CC[NH2+][C@H](CC1CC1)[C@H]1CCC[C@H]1C 300369860 572139302 /nfs/dbraw/zinc/13/93/02/572139302.db2.gz RWGSETXDKCWJRY-KGYLQXTDSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@@H](C)[C@H]([NH3+])c1ccoc1CC 300370032 572139581 /nfs/dbraw/zinc/13/95/81/572139581.db2.gz CVTYBHQRHXUUHF-SKDRFNHKSA-N 1 0 195.306 3.278 10 0 AGAERO CCC[C@H]1C[C@H]1[NH2+]CC(C)(C)C(C)C 713220482 572139768 /nfs/dbraw/zinc/13/97/68/572139768.db2.gz MVSXNBGWHPXVGJ-NWDGAFQWSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H]1C[C@@H]1[NH2+]CCC1CCCCC1 300361240 572140629 /nfs/dbraw/zinc/14/06/29/572140629.db2.gz ACFHESJGYDPING-OLZOCXBDSA-N 1 0 195.350 3.345 10 0 AGAERO CN[C@@H](CCCC(C)(C)C)C(F)F 300954759 572141091 /nfs/dbraw/zinc/14/10/91/572141091.db2.gz XTFYWEPWRFZNTC-QMMMGPOBSA-N 1 0 193.281 3.056 10 0 AGAERO CCC[C@H]1C[C@@H]1[NH2+]CC(C)(C)C(C)C 713220485 572141190 /nfs/dbraw/zinc/14/11/90/572141190.db2.gz MVSXNBGWHPXVGJ-RYUDHWBXSA-N 1 0 197.366 3.447 10 0 AGAERO CN[C@H](CCCC(C)(C)C)C(F)F 300954758 572142060 /nfs/dbraw/zinc/14/20/60/572142060.db2.gz XTFYWEPWRFZNTC-MRVPVSSYSA-N 1 0 193.281 3.056 10 0 AGAERO CC[C@@H](C)[C@@H]([NH3+])CCc1ccsc1 69766396 572143207 /nfs/dbraw/zinc/14/32/07/572143207.db2.gz ITTYQOMACUXSJX-KOLCDFICSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@@H]([NH3+])[C@@H](C)CCc1ccsc1 69765416 572143219 /nfs/dbraw/zinc/14/32/19/572143219.db2.gz WJRYPDFJGYPTJS-GXSJLCMTSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@@H](CCCc1ccsc1)[NH2+]C 69765217 572143237 /nfs/dbraw/zinc/14/32/37/572143237.db2.gz SKQUKTFLEMJISQ-NSHDSACASA-N 1 0 197.347 3.069 10 0 AGAERO C[NH2+][C@H](CCCC(C)(C)C)[C@@H]1C[C@@H]1C 300955543 572143245 /nfs/dbraw/zinc/14/32/45/572143245.db2.gz XVKNGPDUGWJLLV-QJPTWQEYSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H](C[NH3+])CCc1ccsc1 69766942 572143306 /nfs/dbraw/zinc/14/33/06/572143306.db2.gz BVCAFMOBFZLXTD-JTQLQIEISA-N 1 0 197.347 3.056 10 0 AGAERO CC[C@H](C)[C@@H]([NH3+])CCc1ccsc1 69766398 572143337 /nfs/dbraw/zinc/14/33/37/572143337.db2.gz ITTYQOMACUXSJX-ONGXEEELSA-N 1 0 197.347 3.054 10 0 AGAERO CCC[C@@H](C[NH3+])CCc1ccsc1 69766944 572143436 /nfs/dbraw/zinc/14/34/36/572143436.db2.gz BVCAFMOBFZLXTD-SNVBAGLBSA-N 1 0 197.347 3.056 10 0 AGAERO C[NH2+][C@H](CCCC(C)(C)C)[C@H]1C[C@@H]1C 300955544 572143479 /nfs/dbraw/zinc/14/34/79/572143479.db2.gz XVKNGPDUGWJLLV-SDDRHHMPSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H]([NH3+])[C@H](C)CCc1ccsc1 69765420 572143485 /nfs/dbraw/zinc/14/34/85/572143485.db2.gz WJRYPDFJGYPTJS-MWLCHTKSSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@@H](CCc1ccsc1)[C@@H](C)[NH3+] 69765256 572143489 /nfs/dbraw/zinc/14/34/89/572143489.db2.gz JIHATHDAOWBSKP-KOLCDFICSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@H](CCc1ccsc1)[C@@H](C)[NH3+] 69765258 572143536 /nfs/dbraw/zinc/14/35/36/572143536.db2.gz JIHATHDAOWBSKP-MWLCHTKSSA-N 1 0 197.347 3.054 10 0 AGAERO CC(C)C[C@H]([NH3+])CCc1ccsc1 69766127 572143632 /nfs/dbraw/zinc/14/36/32/572143632.db2.gz COMMKGOGMLLKAR-LLVKDONJSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@H]([NH3+])[C@@H](C)CCc1ccsc1 69765413 572143653 /nfs/dbraw/zinc/14/36/53/572143653.db2.gz WJRYPDFJGYPTJS-ONGXEEELSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@H](CCc1ccsc1)[C@H](C)[NH3+] 69765263 572143732 /nfs/dbraw/zinc/14/37/32/572143732.db2.gz JIHATHDAOWBSKP-GXSJLCMTSA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@](C)(C[NH3+])CCc1ccsc1 69767078 572143919 /nfs/dbraw/zinc/14/39/19/572143919.db2.gz RESOLWSNYBIVJX-NSHDSACASA-N 1 0 197.347 3.056 10 0 AGAERO CC[C@H]([NH3+])[C@H](C)CCc1ccsc1 69765418 572143934 /nfs/dbraw/zinc/14/39/34/572143934.db2.gz WJRYPDFJGYPTJS-KOLCDFICSA-N 1 0 197.347 3.054 10 0 AGAERO CC(C)[C@](C)([NH3+])CCc1ccsc1 69765741 572143970 /nfs/dbraw/zinc/14/39/70/572143970.db2.gz JKOMBQXFSSNSEW-LLVKDONJSA-N 1 0 197.347 3.054 10 0 AGAERO C[NH2+][C@H](CCCC(C)(C)C)[C@@H]1C[C@H]1C 300955542 572144065 /nfs/dbraw/zinc/14/40/65/572144065.db2.gz XVKNGPDUGWJLLV-IJLUTSLNSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)(C)CCC[C@@H]([NH3+])c1ccco1 300955525 572144115 /nfs/dbraw/zinc/14/41/15/572144115.db2.gz XVEZRIDGUKATNZ-SNVBAGLBSA-N 1 0 195.306 3.496 10 0 AGAERO CC(C)[C@@H]([NH3+])CCCc1ccsc1 69765202 572144140 /nfs/dbraw/zinc/14/41/40/572144140.db2.gz XAYXPAYUQUQHQC-NSHDSACASA-N 1 0 197.347 3.054 10 0 AGAERO CC(C)[C@@](C)([NH3+])CCc1ccsc1 69765742 572144173 /nfs/dbraw/zinc/14/41/73/572144173.db2.gz JKOMBQXFSSNSEW-NSHDSACASA-N 1 0 197.347 3.054 10 0 AGAERO CC[C@@](C)(C[NH3+])CCc1ccsc1 69767080 572144175 /nfs/dbraw/zinc/14/41/75/572144175.db2.gz RESOLWSNYBIVJX-LLVKDONJSA-N 1 0 197.347 3.056 10 0 AGAERO CC(C)C[C@@H]([NH3+])CCc1ccsc1 69766129 572144187 /nfs/dbraw/zinc/14/41/87/572144187.db2.gz COMMKGOGMLLKAR-NSHDSACASA-N 1 0 197.347 3.054 10 0 AGAERO CC(C)[C@H]([NH3+])CCCc1ccsc1 69765200 572144254 /nfs/dbraw/zinc/14/42/54/572144254.db2.gz XAYXPAYUQUQHQC-LLVKDONJSA-N 1 0 197.347 3.054 10 0 AGAERO CCC([NH3+])(CC)CCc1ccsc1 69765740 572144307 /nfs/dbraw/zinc/14/43/07/572144307.db2.gz QALYEBFICWAEKM-UHFFFAOYSA-N 1 0 197.347 3.198 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])CCc1ccsc1 69766394 572144324 /nfs/dbraw/zinc/14/43/24/572144324.db2.gz ITTYQOMACUXSJX-GXSJLCMTSA-N 1 0 197.347 3.054 10 0 AGAERO C[C@H]([NH2+][C@H](C)C1(C)CC1)C1CCCC1 69803994 572145340 /nfs/dbraw/zinc/14/53/40/572145340.db2.gz XAZIOCAUHZNGOH-WDEREUQCSA-N 1 0 195.350 3.343 10 0 AGAERO C[NH2+][C@@H](C)CC[C@H](C)CC(C)C 300957511 572145685 /nfs/dbraw/zinc/14/56/85/572145685.db2.gz QMKKAQOHSNGNGH-QWRGUYRKSA-N 1 0 171.328 3.057 10 0 AGAERO C[C@@H]([NH2+][C@H](C)C1(C)CC1)C1CCCC1 69803997 572147126 /nfs/dbraw/zinc/14/71/26/572147126.db2.gz XAZIOCAUHZNGOH-GHMZBOCLSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@H]([NH2+][C@@H](C)C1(C)CC1)C1CCCC1 69803986 572145944 /nfs/dbraw/zinc/14/59/44/572145944.db2.gz XAZIOCAUHZNGOH-QWRGUYRKSA-N 1 0 195.350 3.343 10 0 AGAERO CC(C)(C)CCCC1(F)CC([NH3+])C1 300956906 572146403 /nfs/dbraw/zinc/14/64/03/572146403.db2.gz XZFWZUIJSVNPAZ-UHFFFAOYSA-N 1 0 187.302 3.032 10 0 AGAERO C[C@H]([NH2+][C@H](C)C1CCCC1)C1(C)CC1 69803991 572146709 /nfs/dbraw/zinc/14/67/09/572146709.db2.gz XAZIOCAUHZNGOH-MNOVXSKESA-N 1 0 195.350 3.343 10 0 AGAERO C[NH2+][C@H](C)CC[C@H](C)CC(C)C 300957512 572147061 /nfs/dbraw/zinc/14/70/61/572147061.db2.gz QMKKAQOHSNGNGH-WDEREUQCSA-N 1 0 171.328 3.057 10 0 AGAERO C[NH2+][C@H](C)CC[C@@H](C)CC(C)C 300957509 572147155 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0 AGAERO CC[C@H]1CC[C@@H]([NH2+]CCC(C)C)[C@@H]1C 83047137 572188799 /nfs/dbraw/zinc/18/87/99/572188799.db2.gz LZBZSWRIJGQDJP-FRRDWIJNSA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@@H](CC)c1cc(C)cc(C)c1 37746232 572187712 /nfs/dbraw/zinc/18/77/12/572187712.db2.gz QNKGNFAVYXDUNF-ZDUSSCGKSA-N 1 0 191.318 3.364 10 0 AGAERO CC(C)CC[NH2+][C@@H]1CC[C@H](C)[C@H]1C 83040566 572187722 /nfs/dbraw/zinc/18/77/22/572187722.db2.gz GTZQBVWFPIYHGC-QJPTWQEYSA-N 1 0 183.339 3.057 10 0 AGAERO CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)[C@@H]1C 83033824 572187740 /nfs/dbraw/zinc/18/77/40/572187740.db2.gz CNZFRUXEAHKKEZ-AXFHLTTASA-N 1 0 183.339 3.057 10 0 AGAERO C[C@H]1CC[C@H]([NH2+]CC(C)(C)C)[C@@H]1C 83041995 572187761 /nfs/dbraw/zinc/18/77/61/572187761.db2.gz JGAHRVGSXVALAZ-AXFHLTTASA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@H](C)C[NH2+][C@@H]1CC[C@H](C)[C@@H]1C 83042569 572187781 /nfs/dbraw/zinc/18/77/81/572187781.db2.gz IXLPUFDJBLMAHM-FIQHERPVSA-N 1 0 183.339 3.057 10 0 AGAERO CC[NH2+][C@H](CC)c1cc(C)cc(C)c1 37746233 572187910 /nfs/dbraw/zinc/18/79/10/572187910.db2.gz QNKGNFAVYXDUNF-CYBMUJFWSA-N 1 0 191.318 3.364 10 0 AGAERO CCC[NH2+][C@@H]1CC[C@@H](CC(C)C)[C@@H]1C 83034925 572187924 /nfs/dbraw/zinc/18/79/24/572187924.db2.gz SKOGRTSXBXRGLX-RWMBFGLXSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H]1C 83034581 572187943 /nfs/dbraw/zinc/18/79/43/572187943.db2.gz MQAMWKWYHNBRAA-QJPTWQEYSA-N 1 0 183.339 3.057 10 0 AGAERO CCC(CC)C[NH2+][C@H]1CC[C@@H](C)[C@@H]1C 83042538 572187981 /nfs/dbraw/zinc/18/79/81/572187981.db2.gz YNVQNXPNGTZXMF-MDZLAQPJSA-N 1 0 197.366 3.447 10 0 AGAERO C[C@H]1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C 83040696 572188016 /nfs/dbraw/zinc/18/80/16/572188016.db2.gz PRRJPOGFHSJGPQ-LOWVWBTDSA-N 1 0 195.350 3.201 10 0 AGAERO CCCCC[NH2+][C@H]1CC[C@@H](C)[C@@H]1C 83042253 572188025 /nfs/dbraw/zinc/18/80/25/572188025.db2.gz RYRFMUNOKIMATK-WOPDTQHZSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)C[NH2+][C@H]1CC[C@H](C)[C@@H]1C 83042533 572188052 /nfs/dbraw/zinc/18/80/52/572188052.db2.gz YNVQNXPNGTZXMF-GVXVVHGQSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H]1C 83041385 572188073 /nfs/dbraw/zinc/18/80/73/572188073.db2.gz OXUGJIKUYXQDBV-WUHRBBMRSA-N 1 0 197.366 3.445 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C2CC2)[C@@H]1C 83047222 572188826 /nfs/dbraw/zinc/18/88/26/572188826.db2.gz WQCZKWVNWNOQEQ-XZUYRWCXSA-N 1 0 195.350 3.199 10 0 AGAERO CCC[C@H]([NH2+]C)c1cc(C)cc(C)c1 37746246 572188312 /nfs/dbraw/zinc/18/83/12/572188312.db2.gz CXRCMICNFSOPDC-ZDUSSCGKSA-N 1 0 191.318 3.364 10 0 AGAERO CCC[C@@H]([NH2+]C)c1cc(C)cc(C)c1 37746247 572188281 /nfs/dbraw/zinc/18/82/81/572188281.db2.gz CXRCMICNFSOPDC-CYBMUJFWSA-N 1 0 191.318 3.364 10 0 AGAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)C1CC1 83054265 572188465 /nfs/dbraw/zinc/18/84/65/572188465.db2.gz XKKUBPAGYRQWEG-CYZMBNFOSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@H]1CC[C@H]([NH2+][C@@H](C)C2CC2)[C@@H]1C 83047224 572188711 /nfs/dbraw/zinc/18/87/11/572188711.db2.gz WQCZKWVNWNOQEQ-BLFANLJRSA-N 1 0 195.350 3.199 10 0 AGAERO CC[NH2+]C(C1CCCC1)C1CCCC1 37756690 572188721 /nfs/dbraw/zinc/18/87/21/572188721.db2.gz JYKWXOPTHIURHS-UHFFFAOYSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@H](C)[NH2+][C@@H]1CC[C@H](CC)[C@H]1C 83047167 572188731 /nfs/dbraw/zinc/18/87/31/572188731.db2.gz OMZSUIHKKGDBKS-WHOHXGKFSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@H](C)C[NH2+][C@@H]1CC[C@@H](CC)[C@H]1C 83048011 572188930 /nfs/dbraw/zinc/18/89/30/572188930.db2.gz AMVDJKIEXFQUFZ-UMSGYPCISA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH2+]CCC(C)C)[C@@H]1C 83047136 572189157 /nfs/dbraw/zinc/18/91/57/572189157.db2.gz LZBZSWRIJGQDJP-JHJVBQTASA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@H]([NH2+][C@@H](C)[C@H](C)CC)C1CC1 83055881 572189879 /nfs/dbraw/zinc/18/98/79/572189879.db2.gz FEKYDOQFKNKQIB-SCVCMEIPSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)C)[C@@H]1C 83047701 572189777 /nfs/dbraw/zinc/18/97/77/572189777.db2.gz NBIJABXFSNQHCQ-UTUOFQBUSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+]CC(C)C)[C@@H]1C 83047125 572189291 /nfs/dbraw/zinc/18/92/91/572189291.db2.gz SRPFGHALYXTKQA-UTUOFQBUSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@H](C)[NH2+][C@@H]1CC[C@@H](CC)[C@H]1C 83047164 572189337 /nfs/dbraw/zinc/18/93/37/572189337.db2.gz OMZSUIHKKGDBKS-IRCOFANPSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)C)[C@@H]1C 83047709 572189352 /nfs/dbraw/zinc/18/93/52/572189352.db2.gz NBIJABXFSNQHCQ-GRYCIOLGSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+]CCC(C)C)[C@@H]1C 83047133 572189355 /nfs/dbraw/zinc/18/93/55/572189355.db2.gz LZBZSWRIJGQDJP-UPJWGTAASA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@H]1CC[C@H]([NH2+]CC(C)(C)C)[C@@H]1C 83047703 572189366 /nfs/dbraw/zinc/18/93/66/572189366.db2.gz NBIJABXFSNQHCQ-WOPDTQHZSA-N 1 0 197.366 3.447 10 0 AGAERO CCCC(=[NH2+])N[C@@H]1CC[C@H](CC)[C@@H]1C 83050370 572189417 /nfs/dbraw/zinc/18/94/17/572189417.db2.gz WAHTUZFJBGAMSK-GARJFASQSA-N 1 0 196.338 3.178 10 0 AGAERO CC[C@H]1CC[C@@H]([NH2+][C@@H](C)C2CC2)[C@@H]1C 83047226 572189433 /nfs/dbraw/zinc/18/94/33/572189433.db2.gz WQCZKWVNWNOQEQ-MPPDQPJWSA-N 1 0 195.350 3.199 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C)[C@@H]1C 83047705 572189440 /nfs/dbraw/zinc/18/94/40/572189440.db2.gz NBIJABXFSNQHCQ-IJLUTSLNSA-N 1 0 197.366 3.447 10 0 AGAERO CCCC[NH2+][C@@H]1CC[C@@H](CC)[C@@H]1C 83047778 572189465 /nfs/dbraw/zinc/18/94/65/572189465.db2.gz JORUYRFYVCULGX-QJPTWQEYSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H]1CC[C@H]([NH2+][C@@H](C)C(C)C)[C@@H]1C 83047767 572189576 /nfs/dbraw/zinc/18/95/76/572189576.db2.gz FMYHDBGWKQLQOO-VOAKCMCISA-N 1 0 197.366 3.445 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(C)C)[C@@H]1C 83047769 572189621 /nfs/dbraw/zinc/18/96/21/572189621.db2.gz FMYHDBGWKQLQOO-YVECIDJPSA-N 1 0 197.366 3.445 10 0 AGAERO CC[C@H]1CC[C@H]([NH2+]CCC(C)C)[C@@H]1C 83047135 572189637 /nfs/dbraw/zinc/18/96/37/572189637.db2.gz LZBZSWRIJGQDJP-AGIUHOORSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@H](C)C[NH2+][C@@H]1CC[C@H](CC)[C@H]1C 83048013 572189744 /nfs/dbraw/zinc/18/97/44/572189744.db2.gz AMVDJKIEXFQUFZ-QNWHQSFQSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@H]1CC[C@@H]([NH2+]CC(C)C)[C@@H]1C 83047131 572189780 /nfs/dbraw/zinc/18/97/80/572189780.db2.gz SRPFGHALYXTKQA-GRYCIOLGSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@H]1CC[C@H]([NH2+]CC(C)C)[C@@H]1C 83047127 572189863 /nfs/dbraw/zinc/18/98/63/572189863.db2.gz SRPFGHALYXTKQA-WOPDTQHZSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@H]1CC[C@H]([NH2+]C2CCCC2)[C@@H]1C 83047010 572189871 /nfs/dbraw/zinc/18/98/71/572189871.db2.gz CLEXBFSFCSFVSP-MDZLAQPJSA-N 1 0 195.350 3.343 10 0 AGAERO CCCC[NH2+][C@@H]1CC[C@H](CC)[C@@H]1C 83047773 572189984 /nfs/dbraw/zinc/18/99/84/572189984.db2.gz JORUYRFYVCULGX-SDDRHHMPSA-N 1 0 183.339 3.201 10 0 AGAERO CCCC[NH2+][C@H]1CC[C@@H](CC)[C@@H]1C 83047781 572189999 /nfs/dbraw/zinc/18/99/99/572189999.db2.gz JORUYRFYVCULGX-TUAOUCFPSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H]([NH2+][C@H](C)[C@H](C)CC)C1CC1 83055877 572190003 /nfs/dbraw/zinc/19/00/03/572190003.db2.gz FEKYDOQFKNKQIB-FOGDFJRCSA-N 1 0 183.339 3.199 10 0 AGAERO CCCC[NH2+][C@H]1CC[C@H](CC)[C@@H]1C 83047776 572190004 /nfs/dbraw/zinc/19/00/04/572190004.db2.gz JORUYRFYVCULGX-SRVKXCTJSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)C1CC1 83054268 572190038 /nfs/dbraw/zinc/19/00/38/572190038.db2.gz XKKUBPAGYRQWEG-UHTWSYAYSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@H]1CC[C@@H]([NH2+][C@@H](C)C(C)C)[C@@H]1C 83047771 572190099 /nfs/dbraw/zinc/19/00/99/572190099.db2.gz FMYHDBGWKQLQOO-MROQNXINSA-N 1 0 197.366 3.445 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH2+]CC(C)C)[C@@H]1C 83047129 572190210 /nfs/dbraw/zinc/19/02/10/572190210.db2.gz SRPFGHALYXTKQA-IJLUTSLNSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@H]1CC[C@@H]([NH2+]C2CCCC2)[C@@H]1C 83047014 572190240 /nfs/dbraw/zinc/19/02/40/572190240.db2.gz CLEXBFSFCSFVSP-NTZNESFSSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2CC2)[C@@H]1C 83047225 572190281 /nfs/dbraw/zinc/19/02/81/572190281.db2.gz WQCZKWVNWNOQEQ-LSCVPOLPSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@H]1C[C@@H](C)[NH2+][C@@H](c2ccccc2)C1 35975796 572190436 /nfs/dbraw/zinc/19/04/36/572190436.db2.gz ALFLCFVDQGRPAR-DMDPSCGWSA-N 1 0 189.302 3.136 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(C)C)[C@@H]1C 83047766 572190437 /nfs/dbraw/zinc/19/04/37/572190437.db2.gz FMYHDBGWKQLQOO-XQHKEYJVSA-N 1 0 197.366 3.445 10 0 AGAERO CCCC[C@@H](C)[C@H]([NH3+])CC1CCC1 300971297 572190960 /nfs/dbraw/zinc/19/09/60/572190960.db2.gz RZTIXKOCZKBRST-ZYHUDNBSSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@]1(C2CC2)C[C@@H]1C[NH2+]C(C)(C)C 83059126 572190671 /nfs/dbraw/zinc/19/06/71/572190671.db2.gz VKDMQLSTTZDOLR-DGCLKSJQSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@H]([NH2+][C@H](CC)CC1CC1)C1CC1 83056727 572190676 /nfs/dbraw/zinc/19/06/76/572190676.db2.gz GPFIDGFKSSGXDG-OLZOCXBDSA-N 1 0 195.350 3.343 10 0 AGAERO C[NH2+][C@H](CC(C)(C)C)[C@H]1C[C@H]1C1CC1 713225689 572190757 /nfs/dbraw/zinc/19/07/57/572190757.db2.gz BJNWMGDKTJNSFX-SDDRHHMPSA-N 1 0 195.350 3.057 10 0 AGAERO C[NH2+][C@H](CC(C)(C)C)[C@H]1C[C@@H]1C1CC1 713225673 572190948 /nfs/dbraw/zinc/19/09/48/572190948.db2.gz BJNWMGDKTJNSFX-GRYCIOLGSA-N 1 0 195.350 3.057 10 0 AGAERO CC[C@@]1(C2CC2)C[C@@H]1C[NH2+]C(C)(C)C 83059128 572191091 /nfs/dbraw/zinc/19/10/91/572191091.db2.gz VKDMQLSTTZDOLR-YPMHNXCESA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@]1(C2CC2)C[C@@H]1C[NH2+]CC(C)C 83059134 572191104 /nfs/dbraw/zinc/19/11/04/572191104.db2.gz BROQDRUDXGTTGE-CHWSQXEVSA-N 1 0 195.350 3.058 10 0 AGAERO CC[C@]1(C2CC2)C[C@H]1C[NH2+]C(C)(C)C 83059130 572191205 /nfs/dbraw/zinc/19/12/05/572191205.db2.gz VKDMQLSTTZDOLR-WCQYABFASA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H]1C)C1CC1 83056949 572191232 /nfs/dbraw/zinc/19/12/32/572191232.db2.gz GFRGAVMCHIHTNW-XRRVDJEJSA-N 1 0 195.350 3.199 10 0 AGAERO C[NH2+][C@H](CC(C)(C)C)[C@@H]1C[C@@H]1C1CC1 713225677 572191336 /nfs/dbraw/zinc/19/13/36/572191336.db2.gz BJNWMGDKTJNSFX-IJLUTSLNSA-N 1 0 195.350 3.057 10 0 AGAERO CCC[C@@H](NC(=[NH2+])C(C)(C)C)C1CC1 324076499 572191951 /nfs/dbraw/zinc/19/19/51/572191951.db2.gz HCMINFZZPURIQR-SNVBAGLBSA-N 1 0 196.338 3.178 10 0 AGAERO CC[C@@H](CC1CC1)[NH2+][C@H](CC)C1CC1 83056729 572192035 /nfs/dbraw/zinc/19/20/35/572192035.db2.gz GPFIDGFKSSGXDG-QWHCGFSZSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@@]1(C2CC2)C[C@@H]1C[NH2+]CC(C)C 83059136 572192124 /nfs/dbraw/zinc/19/21/24/572192124.db2.gz BROQDRUDXGTTGE-OLZOCXBDSA-N 1 0 195.350 3.058 10 0 AGAERO CC[C@]1(C2CC2)C[C@H]1C[NH2+]CC(C)C 83059138 572192143 /nfs/dbraw/zinc/19/21/43/572192143.db2.gz BROQDRUDXGTTGE-QWHCGFSZSA-N 1 0 195.350 3.058 10 0 AGAERO CC[C@@]1(C2CC2)C[C@H]1C[NH2+]C(C)(C)C 83059132 572192168 /nfs/dbraw/zinc/19/21/68/572192168.db2.gz VKDMQLSTTZDOLR-AAEUAGOBSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@H](CC1CC1)[NH2+][C@H](CC)C1CC1 83056731 572192175 /nfs/dbraw/zinc/19/21/75/572192175.db2.gz GPFIDGFKSSGXDG-CHWSQXEVSA-N 1 0 195.350 3.343 10 0 AGAERO CCCC[C@H](C)[C@@H]([NH3+])CC1CCC1 300971295 572192222 /nfs/dbraw/zinc/19/22/22/572192222.db2.gz RZTIXKOCZKBRST-JQWIXIFHSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@H]1CCC[C@H](C2CC[NH2+]CC2)C1 234087145 572192262 /nfs/dbraw/zinc/19/22/62/572192262.db2.gz DJVMMBDBBAAZLO-AAEUAGOBSA-N 1 0 195.350 3.202 10 0 AGAERO C[NH2+][C@H](CC(C)(C)C)[C@@H]1C[C@H]1C1CC1 713225683 572192310 /nfs/dbraw/zinc/19/23/10/572192310.db2.gz BJNWMGDKTJNSFX-QJPTWQEYSA-N 1 0 195.350 3.057 10 0 AGAERO CC[C@@]1(C2CC2)C[C@H]1C[NH2+]CC(C)C 83059140 572192673 /nfs/dbraw/zinc/19/26/73/572192673.db2.gz BROQDRUDXGTTGE-STQMWFEESA-N 1 0 195.350 3.058 10 0 AGAERO CCCC[C@@H](C)[C@@H]([NH3+])CC1CCC1 300971296 572192798 /nfs/dbraw/zinc/19/27/98/572192798.db2.gz RZTIXKOCZKBRST-PWSUYJOCSA-N 1 0 183.339 3.330 10 0 AGAERO Cc1ccc(C)c([C@H](C[NH3+])C(C)C)c1 19726135 572193938 /nfs/dbraw/zinc/19/39/38/572193938.db2.gz FCSSKSQAPSLPSN-CYBMUJFWSA-N 1 0 191.318 3.002 10 0 AGAERO Cc1ccc(C)c([C@@H](C[NH3+])C(C)C)c1 19726136 572193040 /nfs/dbraw/zinc/19/30/40/572193040.db2.gz FCSSKSQAPSLPSN-ZDUSSCGKSA-N 1 0 191.318 3.002 10 0 AGAERO CCCC[C@H](C)[C@H]([NH3+])CC1CCC1 300971294 572192977 /nfs/dbraw/zinc/19/29/77/572192977.db2.gz RZTIXKOCZKBRST-CMPLNLGQSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H](CC1CC1)[NH2+][C@@H](CC)C1CC1 83056725 572193311 /nfs/dbraw/zinc/19/33/11/572193311.db2.gz GPFIDGFKSSGXDG-STQMWFEESA-N 1 0 195.350 3.343 10 0 AGAERO Cc1ccc2c(c1)[C@H]([NH3+])CCC2(C)C 19727470 572193916 /nfs/dbraw/zinc/19/39/16/572193916.db2.gz OOCOMQQCZRNOGR-GFCCVEGCSA-N 1 0 189.302 3.066 10 0 AGAERO CC[C@H](C)C[C@]1(CC)[C@@H](C[NH3+])C1(C)C 300971655 572194031 /nfs/dbraw/zinc/19/40/31/572194031.db2.gz JHLSNSFXGDCODE-GMXVVIOVSA-N 1 0 197.366 3.434 10 0 AGAERO CC[C@H](C)C[C@@]1(CC)[C@@H](C[NH3+])C1(C)C 300971657 572194144 /nfs/dbraw/zinc/19/41/44/572194144.db2.gz JHLSNSFXGDCODE-GVXVVHGQSA-N 1 0 197.366 3.434 10 0 AGAERO CC(C)C(C)(C)C[NH2+]C(C)(C)C1CC1 713222468 572194547 /nfs/dbraw/zinc/19/45/47/572194547.db2.gz ZHOWCIJPEYLSOL-UHFFFAOYSA-N 1 0 197.366 3.447 10 0 AGAERO Cc1ccc(C)c2c1CCCC[C@H]2[NH3+] 19727443 572194776 /nfs/dbraw/zinc/19/47/76/572194776.db2.gz XTVOJCXVPGAPRD-GFCCVEGCSA-N 1 0 189.302 3.030 10 0 AGAERO CC[C@H](C)C[C@]1(CC)[C@H](C[NH3+])C1(C)C 300971652 572194779 /nfs/dbraw/zinc/19/47/79/572194779.db2.gz JHLSNSFXGDCODE-DMDPSCGWSA-N 1 0 197.366 3.434 10 0 AGAERO Cc1ccc([C@H](C[NH3+])C(C)C)cc1C 19726133 572194860 /nfs/dbraw/zinc/19/48/60/572194860.db2.gz UCITUIBJBVPOEO-CYBMUJFWSA-N 1 0 191.318 3.002 10 0 AGAERO Cc1ccc2c(c1)[C@@H]([NH3+])CCC2(C)C 19727468 572194863 /nfs/dbraw/zinc/19/48/63/572194863.db2.gz OOCOMQQCZRNOGR-LBPRGKRZSA-N 1 0 189.302 3.066 10 0 AGAERO CC[C@H](C)C[C@@]1(CC)[C@H](C[NH3+])C1(C)C 300971660 572194881 /nfs/dbraw/zinc/19/48/81/572194881.db2.gz JHLSNSFXGDCODE-LOWVWBTDSA-N 1 0 197.366 3.434 10 0 AGAERO CC[C@@H](C)c1ccc(C(C)(C)[NH3+])cc1 36156706 572194988 /nfs/dbraw/zinc/19/49/88/572194988.db2.gz NWFHIIAVTSCNJR-SNVBAGLBSA-N 1 0 191.318 3.394 10 0 AGAERO Cc1ccc(C)c2c1CCCC[C@@H]2[NH3+] 19727442 572195485 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572207944 /nfs/dbraw/zinc/20/79/44/572207944.db2.gz RCPNPHSDOAHYLJ-JTQLQIEISA-N 1 0 197.347 3.356 10 0 AGAERO CCC[C@H]1[C@@H](C[NH2+]C(C)(C)C)C1(C)C 300978503 572207983 /nfs/dbraw/zinc/20/79/83/572207983.db2.gz KDZYNOZLMFMWQQ-WDEREUQCSA-N 1 0 197.366 3.447 10 0 AGAERO CCC(CC)(CC)N1CCCCC1=[NH2+] 83388199 572208009 /nfs/dbraw/zinc/20/80/09/572208009.db2.gz SRRNBPDVUVVEQV-UHFFFAOYSA-N 1 0 196.338 3.418 10 0 AGAERO CCCC(=[NH2+])NC(CC)(CC)CC 83388780 572208049 /nfs/dbraw/zinc/20/80/49/572208049.db2.gz CPUPATVHSINNCP-UHFFFAOYSA-N 1 0 184.327 3.322 10 0 AGAERO CCCCC[C@H]1[NH2+]Cc2ccccc21 83389339 572208126 /nfs/dbraw/zinc/20/81/26/572208126.db2.gz KPEXYKDUXJQEQT-CYBMUJFWSA-N 1 0 189.302 3.411 10 0 AGAERO CC[C@@H](C)[C@H]([NH3+])c1cc(C)ccc1C 19971566 572208069 /nfs/dbraw/zinc/20/80/69/572208069.db2.gz OVYREDLDSMWVCI-MFKMUULPSA-N 1 0 191.318 3.349 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])c1ccc(F)c(F)c1 19968445 572208316 /nfs/dbraw/zinc/20/83/16/572208316.db2.gz XLRMTXYXNPWUOA-CPCISQLKSA-N 1 0 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/nfs/dbraw/zinc/20/85/74/572208574.db2.gz WHCWMVHWIQNKQO-STQMWFEESA-N 1 0 187.286 3.043 10 0 AGAERO CCCC[C@@H](C)[C@H](C=C(C)C)[NH2+]C 300979804 572208624 /nfs/dbraw/zinc/20/86/24/572208624.db2.gz UCSXCXFFZVXFKB-NEPJUHHUSA-N 1 0 183.339 3.367 10 0 AGAERO [NH3+][C@H](c1ccccc1)[C@@H]1C=CCCC1 36420218 572209081 /nfs/dbraw/zinc/20/90/81/572209081.db2.gz WHCWMVHWIQNKQO-CHWSQXEVSA-N 1 0 187.286 3.043 10 0 AGAERO CCCCC[C@@H]1[NH2+]Cc2ccccc21 83389340 572208797 /nfs/dbraw/zinc/20/87/97/572208797.db2.gz KPEXYKDUXJQEQT-ZDUSSCGKSA-N 1 0 189.302 3.411 10 0 AGAERO CCC(CC)(CC)NC(=[NH2+])C(C)C 83388785 572208803 /nfs/dbraw/zinc/20/88/03/572208803.db2.gz CBIJHNQLTQXPQS-UHFFFAOYSA-N 1 0 184.327 3.178 10 0 AGAERO CC[C@@H](C)[C@H]([NH3+])c1ccc(F)cc1F 19968983 572208814 /nfs/dbraw/zinc/20/88/14/572208814.db2.gz NPILWGFIYFWOQX-HQJQHLMTSA-N 1 0 199.244 3.011 10 0 AGAERO C[C@H]1CCCC[C@@H]1Nc1cc[nH+]cc1 19999427 572208827 /nfs/dbraw/zinc/20/88/27/572208827.db2.gz VYBJZUJGSHLAQX-JQWIXIFHSA-N 1 0 190.290 3.072 10 0 AGAERO Cc1ccc([C@@H]([NH3+])C2CCC2)c(C)c1 19971337 572208841 /nfs/dbraw/zinc/20/88/41/572208841.db2.gz BTEITKQTDWGSJS-ZDUSSCGKSA-N 1 0 189.302 3.103 10 0 AGAERO Cc1ccc([C@H]([NH3+])C(C)(C)C)c(C)c1 19971346 572208871 /nfs/dbraw/zinc/20/88/71/572208871.db2.gz HMOXAVDTIROIPG-LBPRGKRZSA-N 1 0 191.318 3.349 10 0 AGAERO CCCC[C@@H](C)[C@@H](C=C(C)C)[NH2+]C 300979807 572209310 /nfs/dbraw/zinc/20/93/10/572209310.db2.gz UCSXCXFFZVXFKB-VXGBXAGGSA-N 1 0 183.339 3.367 10 0 AGAERO [NH3+][C@H](c1ccccc1)[C@H]1C=CCCC1 36420216 572209318 /nfs/dbraw/zinc/20/93/18/572209318.db2.gz WHCWMVHWIQNKQO-QWHCGFSZSA-N 1 0 187.286 3.043 10 0 AGAERO [NH3+][C@@H](c1ccccc1)[C@@H]1C=CCCC1 36420217 572209388 /nfs/dbraw/zinc/20/93/88/572209388.db2.gz WHCWMVHWIQNKQO-OLZOCXBDSA-N 1 0 187.286 3.043 10 0 AGAERO CCCC[C@H](C)[C@H](C=C(C)C)[NH2+]C 300979806 572209529 /nfs/dbraw/zinc/20/95/29/572209529.db2.gz UCSXCXFFZVXFKB-RYUDHWBXSA-N 1 0 183.339 3.367 10 0 AGAERO CCC(/C=C(\C)CCC[NH3+])CC 393356295 572209564 /nfs/dbraw/zinc/20/95/64/572209564.db2.gz UXYGDQXYHIFYSJ-MDZDMXLPSA-N 1 0 169.312 3.108 10 0 AGAERO CCC(/C=C(/C)CCC[NH3+])CC 393356294 572209571 /nfs/dbraw/zinc/20/95/71/572209571.db2.gz UXYGDQXYHIFYSJ-KTKRTIGZSA-N 1 0 169.312 3.108 10 0 AGAERO CCCC[C@@H](C)[C@@H](CC(C)C)[NH2+]C 300978893 572209599 /nfs/dbraw/zinc/20/95/99/572209599.db2.gz TXROAWGCDGVXGO-VXGBXAGGSA-N 1 0 185.355 3.447 10 0 AGAERO CCCC[C@H](C)[C@@H](CC(C)C)[NH2+]C 300978889 572209635 /nfs/dbraw/zinc/20/96/35/572209635.db2.gz TXROAWGCDGVXGO-NWDGAFQWSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+]CC[C@H](C)c1cccc(Cl)c1 41209295 572210652 /nfs/dbraw/zinc/21/06/52/572210652.db2.gz KLLXSBKDDXXHBC-VIFPVBQESA-N 1 0 197.709 3.053 10 0 AGAERO C[NH2+]CC[C@@H](C)c1cccc(Cl)c1 41209297 572211462 /nfs/dbraw/zinc/21/14/62/572211462.db2.gz KLLXSBKDDXXHBC-SECBINFHSA-N 1 0 197.709 3.053 10 0 AGAERO CCC[C@H](C[NH3+])c1cccc(Cl)c1 41209285 572212386 /nfs/dbraw/zinc/21/23/86/572212386.db2.gz NMXYWTBIDHYNFV-SNVBAGLBSA-N 1 0 197.709 3.182 10 0 AGAERO CCC[C@@H](C[NH3+])c1cccc(Cl)c1 41209283 572212627 /nfs/dbraw/zinc/21/26/27/572212627.db2.gz NMXYWTBIDHYNFV-JTQLQIEISA-N 1 0 197.709 3.182 10 0 AGAERO CCC[C@@H](C[NH3+])c1ccccc1Cl 41209271 572213325 /nfs/dbraw/zinc/21/33/25/572213325.db2.gz GIYHFQUPSBDSSM-VIFPVBQESA-N 1 0 197.709 3.182 10 0 AGAERO CCC[C@H]1CCC[C@@H]([NH2+]CC)CC1 83437123 572214097 /nfs/dbraw/zinc/21/40/97/572214097.db2.gz AHWDIRIUBKUSLI-NWDGAFQWSA-N 1 0 183.339 3.345 10 0 AGAERO CC[C@H]([NH2+]C)c1ccc(C(C)C)cc1 20264980 572214938 /nfs/dbraw/zinc/21/49/38/572214938.db2.gz NMFDEBASGYFXDW-ZDUSSCGKSA-N 1 0 191.318 3.481 10 0 AGAERO CCC[C@@H]1CCC[C@H]([NH2+]CC)CC1 83437120 572214332 /nfs/dbraw/zinc/21/43/32/572214332.db2.gz AHWDIRIUBKUSLI-NEPJUHHUSA-N 1 0 183.339 3.345 10 0 AGAERO CCC[C@H]1CCC[C@H]([NH2+]C2CC2)CC1 83437065 572214736 /nfs/dbraw/zinc/21/47/36/572214736.db2.gz ZTCKNEXJNDHXAT-RYUDHWBXSA-N 1 0 195.350 3.487 10 0 AGAERO C[NH2+]CC[C@H](C)c1cccc(C)c1C 41205787 572214971 /nfs/dbraw/zinc/21/49/71/572214971.db2.gz AKGDJRFQEHHUCU-NSHDSACASA-N 1 0 191.318 3.016 10 0 AGAERO CCC[C@H]1CCC[C@H]([NH2+]CC)CC1 83437121 572214975 /nfs/dbraw/zinc/21/49/75/572214975.db2.gz AHWDIRIUBKUSLI-RYUDHWBXSA-N 1 0 183.339 3.345 10 0 AGAERO Cc1ccccc1[C@@H](C[NH3+])CC(C)C 41205610 572215003 /nfs/dbraw/zinc/21/50/03/572215003.db2.gz QXSJDCRVVXABMN-GFCCVEGCSA-N 1 0 191.318 3.083 10 0 AGAERO CCC[C@H]1CCC[C@@H](CC[NH3+])CC1 83438229 572215173 /nfs/dbraw/zinc/21/51/73/572215173.db2.gz GDKQSOJZPQERRS-NWDGAFQWSA-N 1 0 183.339 3.332 10 0 AGAERO CCC[C@H]1CCC[C@H](CC[NH3+])CC1 83438227 572215381 /nfs/dbraw/zinc/21/53/81/572215381.db2.gz GDKQSOJZPQERRS-RYUDHWBXSA-N 1 0 183.339 3.332 10 0 AGAERO CCC[C@@H]1CCC[C@@H](CC[NH3+])CC1 83438228 572215422 /nfs/dbraw/zinc/21/54/22/572215422.db2.gz GDKQSOJZPQERRS-VXGBXAGGSA-N 1 0 183.339 3.332 10 0 AGAERO Cc1cccc([C@H](C[NH3+])CC(C)C)c1 41205628 572215461 /nfs/dbraw/zinc/21/54/61/572215461.db2.gz VDKHANDSVRACMW-ZDUSSCGKSA-N 1 0 191.318 3.083 10 0 AGAERO CCC[C@@H]1CCC[C@H](CC[NH3+])CC1 83438226 572215472 /nfs/dbraw/zinc/21/54/72/572215472.db2.gz GDKQSOJZPQERRS-NEPJUHHUSA-N 1 0 183.339 3.332 10 0 AGAERO CCC(C)(C)C[C@H]([NH2+]C)C1(C)CC1 713233013 572215715 /nfs/dbraw/zinc/21/57/15/572215715.db2.gz SJIDBBRFLBTQOD-JTQLQIEISA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@@H]1CCC[C@@H]([NH2+]CC)CC1 83437122 572215780 /nfs/dbraw/zinc/21/57/80/572215780.db2.gz AHWDIRIUBKUSLI-VXGBXAGGSA-N 1 0 183.339 3.345 10 0 AGAERO CCC[C@@H]1CCC[C@@H]([NH2+]C2CC2)CC1 83437066 572215926 /nfs/dbraw/zinc/21/59/26/572215926.db2.gz ZTCKNEXJNDHXAT-VXGBXAGGSA-N 1 0 195.350 3.487 10 0 AGAERO C[NH2+]CC[C@H](C)c1cc(C)cc(C)c1 41205775 572215997 /nfs/dbraw/zinc/21/59/97/572215997.db2.gz TYJDOXWPUJCWAH-LBPRGKRZSA-N 1 0 191.318 3.016 10 0 AGAERO CCC[C@H]1CCC[C@@H]([NH2+]C2CC2)CC1 83437067 572216019 /nfs/dbraw/zinc/21/60/19/572216019.db2.gz ZTCKNEXJNDHXAT-NWDGAFQWSA-N 1 0 195.350 3.487 10 0 AGAERO Cc1cccc([C@@H](C[NH3+])CC(C)C)c1 41205631 572216022 /nfs/dbraw/zinc/21/60/22/572216022.db2.gz VDKHANDSVRACMW-CYBMUJFWSA-N 1 0 191.318 3.083 10 0 AGAERO C[NH2+]CC[C@@H](C)c1ccc(C)cc1C 41205719 572216025 /nfs/dbraw/zinc/21/60/25/572216025.db2.gz PXVLJQUZQFMKLF-LLVKDONJSA-N 1 0 191.318 3.016 10 0 AGAERO CCC(C)(C)C[C@@H]([NH2+]C)C1(C)CC1 713233015 572216036 /nfs/dbraw/zinc/21/60/36/572216036.db2.gz SJIDBBRFLBTQOD-SNVBAGLBSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+]CC[C@H](C)c1ccc(C)cc1C 41205718 572216094 /nfs/dbraw/zinc/21/60/94/572216094.db2.gz PXVLJQUZQFMKLF-NSHDSACASA-N 1 0 191.318 3.016 10 0 AGAERO Cc1ccccc1[C@H](C[NH3+])CC(C)C 41205608 572216121 /nfs/dbraw/zinc/21/61/21/572216121.db2.gz QXSJDCRVVXABMN-LBPRGKRZSA-N 1 0 191.318 3.083 10 0 AGAERO C[NH2+]CC[C@@H](C)c1cccc(C)c1C 41205788 572216555 /nfs/dbraw/zinc/21/65/55/572216555.db2.gz AKGDJRFQEHHUCU-LLVKDONJSA-N 1 0 191.318 3.016 10 0 AGAERO CCCC[C@H](C)[C@@H]([NH3+])C=C(C)C 300982194 572218135 /nfs/dbraw/zinc/21/81/35/572218135.db2.gz UNPXCCBWYGJMOG-QWRGUYRKSA-N 1 0 169.312 3.106 10 0 AGAERO CC(C)C[C@H](C)C[C@H]1CCC[C@H]1C[NH3+] 300981918 572217029 /nfs/dbraw/zinc/21/70/29/572217029.db2.gz UGYFYMFMCCVKSV-XQQFMLRXSA-N 1 0 197.366 3.434 10 0 AGAERO CC(C)C[C@H](C)C[C@H]1CCC[C@@H]1C[NH3+] 300981919 572217623 /nfs/dbraw/zinc/21/76/23/572217623.db2.gz UGYFYMFMCCVKSV-YNEHKIRRSA-N 1 0 197.366 3.434 10 0 AGAERO C[NH2+]C[C@@H]1[C@@H]([C@@H](C)CC(C)C)C1(C)C 300981367 572218811 /nfs/dbraw/zinc/21/88/11/572218811.db2.gz KNVBZZDLYXKFKL-QJPTWQEYSA-N 1 0 197.366 3.160 10 0 AGAERO C[NH2+]C[C@@H]1[C@@H]([C@H](C)CC(C)C)C1(C)C 300981366 572218605 /nfs/dbraw/zinc/21/86/05/572218605.db2.gz KNVBZZDLYXKFKL-IJLUTSLNSA-N 1 0 197.366 3.160 10 0 AGAERO C/C=C(\CC)[NH2+]C1CCCCC1 207394802 572218664 /nfs/dbraw/zinc/21/86/64/572218664.db2.gz LRLZXTNKICRRFN-XCVCLJGOSA-N 1 0 167.296 3.223 10 0 AGAERO C[NH2+]C[C@@H]1[C@H]([C@@H](C)CC(C)C)C1(C)C 300981368 572218755 /nfs/dbraw/zinc/21/87/55/572218755.db2.gz KNVBZZDLYXKFKL-TUAOUCFPSA-N 1 0 197.366 3.160 10 0 AGAERO CC(C)C[C@H](C)C[C@@H]1CCC[C@H]1C[NH3+] 300981316 572219114 /nfs/dbraw/zinc/21/91/14/572219114.db2.gz UGYFYMFMCCVKSV-AVGNSLFASA-N 1 0 197.366 3.434 10 0 AGAERO CCCC[C@@H](C)[C@@H]([NH3+])C=C(C)C 300982192 572219248 /nfs/dbraw/zinc/21/92/48/572219248.db2.gz UNPXCCBWYGJMOG-MNOVXSKESA-N 1 0 169.312 3.106 10 0 AGAERO CC(C)C[C@H](C)CC1([NH3+])CCCC1 300981230 572219282 /nfs/dbraw/zinc/21/92/82/572219282.db2.gz UESYGHOJHLIASQ-NSHDSACASA-N 1 0 183.339 3.330 10 0 AGAERO CC(C)C[C@H](C)C[C@@H]1CCC[C@@H]1C[NH3+] 300981317 572219438 /nfs/dbraw/zinc/21/94/38/572219438.db2.gz UGYFYMFMCCVKSV-RWMBFGLXSA-N 1 0 197.366 3.434 10 0 AGAERO CCCC[C@H](C)[C@H]([NH3+])C=C(C)C 300982196 572219654 /nfs/dbraw/zinc/21/96/54/572219654.db2.gz UNPXCCBWYGJMOG-WDEREUQCSA-N 1 0 169.312 3.106 10 0 AGAERO C[NH2+]C[C@@H]1[C@H]([C@H](C)CC(C)C)C1(C)C 300981369 572219759 /nfs/dbraw/zinc/21/97/59/572219759.db2.gz KNVBZZDLYXKFKL-UTUOFQBUSA-N 1 0 197.366 3.160 10 0 AGAERO CCCC[C@@H](C)[C@H]([NH3+])C=C(C)C 300982190 572219811 /nfs/dbraw/zinc/21/98/11/572219811.db2.gz UNPXCCBWYGJMOG-GHMZBOCLSA-N 1 0 169.312 3.106 10 0 AGAERO CCC(C)(C)C[C@@H]([NH3+])[C@H]1CC1(C)C 713233676 572220189 /nfs/dbraw/zinc/22/01/89/572220189.db2.gz VNESJJGYFXJZTE-NXEZZACHSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H](C)[C@H]([NH2+]C)c1csc(C)c1 83452154 572220349 /nfs/dbraw/zinc/22/03/49/572220349.db2.gz FGHNJRXKCWARKE-KWQFWETISA-N 1 0 197.347 3.363 10 0 AGAERO CCC[C@@H](C[C@H](C)CC(C)C)[NH2+]C 300983060 572220352 /nfs/dbraw/zinc/22/03/52/572220352.db2.gz UMZMAHJDTMGREL-NEPJUHHUSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@H](CC(C)(C)C)c1ccsc1 83452253 572220371 /nfs/dbraw/zinc/22/03/71/572220371.db2.gz IXHFCLFUSOGEFW-SNVBAGLBSA-N 1 0 197.347 3.445 10 0 AGAERO CCC(C)(C)C[C@H]([NH3+])[C@H]1CC1(C)C 713233685 572220429 /nfs/dbraw/zinc/22/04/29/572220429.db2.gz VNESJJGYFXJZTE-ZJUUUORDSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@@H](C1CC1)[C@@H]([NH3+])C[C@H]1CC=CCC1 402382826 572220435 /nfs/dbraw/zinc/22/04/35/572220435.db2.gz IFPICOVWDMUCCN-GVXVVHGQSA-N 1 0 193.334 3.106 10 0 AGAERO 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CCC[NH2+]CC1(CC(C)C)CCC1 83570744 572337732 /nfs/dbraw/zinc/33/77/32/572337732.db2.gz GVQOARAWBDSJDD-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO CCCCCCC1(C[NH3+])CCC1 83570346 572337736 /nfs/dbraw/zinc/33/77/36/572337736.db2.gz QFYUJSHDPLBYEH-UHFFFAOYSA-N 1 0 169.312 3.086 10 0 AGAERO CCC[C@@H](C)CC1(C[NH2+]C)CCC1 83570582 572337841 /nfs/dbraw/zinc/33/78/41/572337841.db2.gz RZUGSHANQPWXRA-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@@H](C)CC1(C[NH2+]C2CC2)CCC1 83570959 572337995 /nfs/dbraw/zinc/33/79/95/572337995.db2.gz AJGAWRWVSSSCJQ-LLVKDONJSA-N 1 0 195.350 3.345 10 0 AGAERO CCCCC1(C[NH2+]CCC)CCC1 83570740 572338026 /nfs/dbraw/zinc/33/80/26/572338026.db2.gz FDXXOOAYZNRGTL-UHFFFAOYSA-N 1 0 183.339 3.347 10 0 AGAERO CCCCC1(C[NH2+]C(C)C)CCC1 83570840 572338078 /nfs/dbraw/zinc/33/80/78/572338078.db2.gz SQKWWLBCHJQOLM-UHFFFAOYSA-N 1 0 183.339 3.345 10 0 AGAERO CCCCCC1(C[NH2+]C2CC2)CCC1 83570949 572338221 /nfs/dbraw/zinc/33/82/21/572338221.db2.gz BPIPXPHBFBHCSL-UHFFFAOYSA-N 1 0 195.350 3.489 10 0 AGAERO CCCCCCC1(C[NH2+]C)CCC1 83570537 572338306 /nfs/dbraw/zinc/33/83/06/572338306.db2.gz HRJPXDFVFQAPCX-UHFFFAOYSA-N 1 0 183.339 3.347 10 0 AGAERO CCCC1(C[NH2+]C(C)(C)C)CCC1 83571005 572338318 /nfs/dbraw/zinc/33/83/18/572338318.db2.gz VMRZCJZLRGMYTE-UHFFFAOYSA-N 1 0 183.339 3.345 10 0 AGAERO C=C/C=C/CC[C@]1([NH3+])CCCC[C@H]1C 713684721 572338435 /nfs/dbraw/zinc/33/84/35/572338435.db2.gz NQWPBFOSYIPACH-DRHCNIFCSA-N 1 0 193.334 3.416 10 0 AGAERO CC[C@H](C)CC1(C[NH2+]C2CC2)CCC1 83570963 572338465 /nfs/dbraw/zinc/33/84/65/572338465.db2.gz AJGAWRWVSSSCJQ-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H]1C 52270692 572338494 /nfs/dbraw/zinc/33/84/94/572338494.db2.gz BVVYUMLNSCNXCO-LOWVWBTDSA-N 1 0 189.302 3.054 10 0 AGAERO C=C/C=C/CCC1(C[NH3+])CCCCC1 713680439 572338581 /nfs/dbraw/zinc/33/85/81/572338581.db2.gz PXWZMBSJQTYECM-ONEGZZNKSA-N 1 0 193.334 3.418 10 0 AGAERO CC[NH2+]CC1(C[C@H](C)CC)CCC1 83570667 572338814 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C=C/C=C\CC[C@]1([NH3+])CCCC[C@H]1C 713684710 572339343 /nfs/dbraw/zinc/33/93/43/572339343.db2.gz NQWPBFOSYIPACH-CIUCYMIDSA-N 1 0 193.334 3.416 10 0 AGAERO CC[N@H+](C)[C@@H]1C[C@H](C)CC(C)(C)C1 60248303 572339406 /nfs/dbraw/zinc/33/94/06/572339406.db2.gz LHPWUZZXRWCAFI-WDEREUQCSA-N 1 0 183.339 3.153 10 0 AGAERO CCc1cccc([C@@H]([NH3+])CC2CC2)c1 83574250 572340325 /nfs/dbraw/zinc/34/03/25/572340325.db2.gz YWOVWSSGNLTGPB-ZDUSSCGKSA-N 1 0 189.302 3.049 10 0 AGAERO Cc1ccc(Nc2cc[nH+]cc2)cc1 39394838 572340660 /nfs/dbraw/zinc/34/06/60/572340660.db2.gz ZSXROZJCZPQNFR-UHFFFAOYSA-N 1 0 184.242 3.134 10 0 AGAERO CCCC[C@@H]([NH3+])c1cccc(CC)c1 83574274 572341275 /nfs/dbraw/zinc/34/12/75/572341275.db2.gz NIHOGEQJJUJGAB-CYBMUJFWSA-N 1 0 191.318 3.439 10 0 AGAERO CCC[C@H]([NH3+])c1cccc(CC)c1 83574427 572341681 /nfs/dbraw/zinc/34/16/81/572341681.db2.gz DBVWXGRDDAHGEF-LBPRGKRZSA-N 1 0 177.291 3.049 10 0 AGAERO CC/C=C/C[C@H]([NH2+]CCC)C(C)C 238214985 572341883 /nfs/dbraw/zinc/34/18/83/572341883.db2.gz RBVYGQGMTAPHLC-GUOLPTJISA-N 1 0 183.339 3.367 10 0 AGAERO CCc1cccc([C@H]([NH3+])CC2CC2)c1 83574248 572342189 /nfs/dbraw/zinc/34/21/89/572342189.db2.gz YWOVWSSGNLTGPB-CYBMUJFWSA-N 1 0 189.302 3.049 10 0 AGAERO CCC[C@@H]([NH3+])c1cccc(CC)c1 83574429 572342595 /nfs/dbraw/zinc/34/25/95/572342595.db2.gz DBVWXGRDDAHGEF-GFCCVEGCSA-N 1 0 177.291 3.049 10 0 AGAERO CCCCCC[C@@]1(C)[NH2+]C(C)(C)CO1 238216377 572342686 /nfs/dbraw/zinc/34/26/86/572342686.db2.gz VFPKJYNMLLYIFC-LBPRGKRZSA-N 1 0 199.338 3.071 10 0 AGAERO CCCC[C@H]([NH3+])c1cccc(CC)c1 83574271 572342687 /nfs/dbraw/zinc/34/26/87/572342687.db2.gz NIHOGEQJJUJGAB-ZDUSSCGKSA-N 1 0 191.318 3.439 10 0 AGAERO C=C/C=C\C/C=C(\C)C[C@@H]1CCC[NH2+]1 713690810 572344051 /nfs/dbraw/zinc/34/40/51/572344051.db2.gz ADOHLJFIJZPWBI-XDZJLLIJSA-N 1 0 191.318 3.207 10 0 AGAERO [NH3+]CCC1=CCCCCCCCC1 307980126 572344026 /nfs/dbraw/zinc/34/40/26/572344026.db2.gz DJKBOHIHSNRQMA-UHFFFAOYSA-N 1 0 181.323 3.396 10 0 AGAERO C=C/C=C/C/C=C(/C)C[C@@H]1CCC[NH2+]1 713690781 572344959 /nfs/dbraw/zinc/34/49/59/572344959.db2.gz ADOHLJFIJZPWBI-GBFPJZETSA-N 1 0 191.318 3.207 10 0 AGAERO CC[NH2+]CC/C=C/c1sccc1C 87023727 572345011 /nfs/dbraw/zinc/34/50/11/572345011.db2.gz AVVGUFZUYDWUQZ-GQCTYLIASA-N 1 0 195.331 3.069 10 0 AGAERO C[NH2+]CC/C=C(/C)c1sccc1C 87023741 572345287 /nfs/dbraw/zinc/34/52/87/572345287.db2.gz CIJYTBKIFSEANT-UITAMQMPSA-N 1 0 195.331 3.069 10 0 AGAERO C[NH2+][C@H](C)C[C@@H](C)c1sccc1C 87023278 572345922 /nfs/dbraw/zinc/34/59/22/572345922.db2.gz GYUAAQZTGIPWBD-NXEZZACHSA-N 1 0 197.347 3.158 10 0 AGAERO CC[C@@H]([NH2+]C/C(C)=C\Cl)C(C)C 307990652 572346318 /nfs/dbraw/zinc/34/63/18/572346318.db2.gz WRMRFGSKWXCALN-ABRRARGCSA-N 1 0 189.730 3.153 10 0 AGAERO C=C/C=C\C/C=C(/C)C[C@@H]1CCC[NH2+]1 713690798 572346350 /nfs/dbraw/zinc/34/63/50/572346350.db2.gz ADOHLJFIJZPWBI-OYBLQQQOSA-N 1 0 191.318 3.207 10 0 AGAERO C/C(=C/[Si](C)(C)C)C[NH2+]C(C)(C)C 307990515 572346460 /nfs/dbraw/zinc/34/64/60/572346460.db2.gz NDWZDNUTPYIOIU-KTKRTIGZSA-N 1 0 199.414 3.198 10 0 AGAERO CCC[C@H]([NH3+])CCc1sccc1C 87023054 572346470 /nfs/dbraw/zinc/34/64/70/572346470.db2.gz LRFOROINFFNPME-JTQLQIEISA-N 1 0 197.347 3.117 10 0 AGAERO CCC[C@@H]([NH3+])CCc1sccc1C 87023056 572346536 /nfs/dbraw/zinc/34/65/36/572346536.db2.gz LRFOROINFFNPME-SNVBAGLBSA-N 1 0 197.347 3.117 10 0 AGAERO C[NH2+][C@@H](C)C[C@@H](C)c1sccc1C 87023282 572346672 /nfs/dbraw/zinc/34/66/72/572346672.db2.gz GYUAAQZTGIPWBD-ZJUUUORDSA-N 1 0 197.347 3.158 10 0 AGAERO C[NH2+][C@H](C)C[C@H](C)c1sccc1C 87023276 572346988 /nfs/dbraw/zinc/34/69/88/572346988.db2.gz GYUAAQZTGIPWBD-VHSXEESVSA-N 1 0 197.347 3.158 10 0 AGAERO C=C/C=C/C/C=C(\C)C[C@@H]1CCC[NH2+]1 713690808 572347031 /nfs/dbraw/zinc/34/70/31/572347031.db2.gz ADOHLJFIJZPWBI-USGOJQFUSA-N 1 0 191.318 3.207 10 0 AGAERO CCCC1(C[NH2+]CCC2CC2)CCC1 391955857 572347527 /nfs/dbraw/zinc/34/75/27/572347527.db2.gz KWCKYGPAGCOKNA-UHFFFAOYSA-N 1 0 195.350 3.347 10 0 AGAERO CCC[C@H]1CCCCN1C(=[NH2+])C(C)C 214099665 572348768 /nfs/dbraw/zinc/34/87/68/572348768.db2.gz SDQWZWXQBHFETK-NSHDSACASA-N 1 0 196.338 3.274 10 0 AGAERO CCC[C@@H]1CCCCN1C(=[NH2+])C(C)C 214099724 572348771 /nfs/dbraw/zinc/34/87/71/572348771.db2.gz SDQWZWXQBHFETK-LLVKDONJSA-N 1 0 196.338 3.274 10 0 AGAERO CC/C=C(\CC)[C@H]([NH3+])c1cccs1 307985328 572349388 /nfs/dbraw/zinc/34/93/88/572349388.db2.gz JUKCGEWIUXVKNR-LAHYYIKRSA-N 1 0 195.331 3.494 10 0 AGAERO CC/C=C(\CC)[C@@H]([NH3+])c1cccs1 307985329 572350481 /nfs/dbraw/zinc/35/04/81/572350481.db2.gz JUKCGEWIUXVKNR-OALRPVAKSA-N 1 0 195.331 3.494 10 0 AGAERO CCCCC[C@@H]1CCCCC(N)=[NH+]1 238219257 572350526 /nfs/dbraw/zinc/35/05/26/572350526.db2.gz HBRAKDFKGSBECA-SNVBAGLBSA-N 1 0 182.311 3.076 10 0 AGAERO C=C/C=C/CCC1(C[NH2+]C)CCCC1 713693658 572352942 /nfs/dbraw/zinc/35/29/42/572352942.db2.gz GLXGKQMYWLNRFG-SNAWJCMRSA-N 1 0 193.334 3.289 10 0 AGAERO CCCCC[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 238220385 572355514 /nfs/dbraw/zinc/35/55/14/572355514.db2.gz SXWJMYXHPOYXRD-QJPTWQEYSA-N 1 0 183.339 3.343 10 0 AGAERO CC[C@@H](C)[NH2+]Cc1cc(C)c(C)s1 83631458 572355961 /nfs/dbraw/zinc/35/59/61/572355961.db2.gz UTTBDXSPDBTXEQ-SECBINFHSA-N 1 0 197.347 3.253 10 0 AGAERO CC[C@H](C)[NH2+]Cc1cc(C)c(C)s1 83631460 572356771 /nfs/dbraw/zinc/35/67/71/572356771.db2.gz UTTBDXSPDBTXEQ-VIFPVBQESA-N 1 0 197.347 3.253 10 0 AGAERO Cc1cc(C[NH2+]CC(C)C)sc1C 83631432 572357283 /nfs/dbraw/zinc/35/72/83/572357283.db2.gz SBCVNUADMWARHD-UHFFFAOYSA-N 1 0 197.347 3.111 10 0 AGAERO CCCC[NH2+]Cc1cc(C)c(C)s1 83631435 572357295 /nfs/dbraw/zinc/35/72/95/572357295.db2.gz PNVAKCWXEWSDGE-UHFFFAOYSA-N 1 0 197.347 3.255 10 0 AGAERO CCC/C=C/C[NH2+]Cc1cccs1 307992418 572358180 /nfs/dbraw/zinc/35/81/80/572358180.db2.gz QYLUJBKTMMYYMG-SNAWJCMRSA-N 1 0 195.331 3.194 10 0 AGAERO CCCC(=[NH2+])N1CCCC[C@H]1CCC 214110317 572359501 /nfs/dbraw/zinc/35/95/01/572359501.db2.gz LZRNQSJESFYMBS-LLVKDONJSA-N 1 0 196.338 3.418 10 0 AGAERO CCCCC1CCC([C@@H](C)[NH3+])CC1 83592680 572359894 /nfs/dbraw/zinc/35/98/94/572359894.db2.gz NVCREQZVCGLMJK-VOMCLLRMSA-N 1 0 183.339 3.330 10 0 AGAERO CCCCC1([NH3+])CCC(C)CC1 44138957 572360770 /nfs/dbraw/zinc/36/07/70/572360770.db2.gz TXACDLDYZUCSGQ-UHFFFAOYSA-N 1 0 169.312 3.084 10 0 AGAERO CCCCC1CCC([C@H](C)[NH3+])CC1 83592682 572361662 /nfs/dbraw/zinc/36/16/62/572361662.db2.gz NVCREQZVCGLMJK-UNXYVOJBSA-N 1 0 183.339 3.330 10 0 AGAERO C=C/C=C/CC[NH2+][C@H](C)CCC1CC1 713696288 572362802 /nfs/dbraw/zinc/36/28/02/572362802.db2.gz QHZRXUUGDYRISY-ZYOFXKKJSA-N 1 0 193.334 3.287 10 0 AGAERO C=C/C=C\CC[NH2+][C@@H](C)CCC1CC1 713696286 572363129 /nfs/dbraw/zinc/36/31/29/572363129.db2.gz QHZRXUUGDYRISY-RXNFCKPNSA-N 1 0 193.334 3.287 10 0 AGAERO C=C/C=C\CC[NH2+][C@H](C)CCC1CC1 713696284 572363641 /nfs/dbraw/zinc/36/36/41/572363641.db2.gz QHZRXUUGDYRISY-QMAVJUDZSA-N 1 0 193.334 3.287 10 0 AGAERO CC(C)C(C)(C)C[C@@]1(C)CCC[NH2+]1 713244405 572365044 /nfs/dbraw/zinc/36/50/44/572365044.db2.gz RIVJQPJZCMWSBT-GFCCVEGCSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)[NH2+]CC(C)(C)CC(C)(C)C 713244363 572366326 /nfs/dbraw/zinc/36/63/26/572366326.db2.gz RBMWATHZBKYBET-UHFFFAOYSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[NH2+]C[C@@H](CC)CC(C)(C)C 713242733 572366724 /nfs/dbraw/zinc/36/67/24/572366724.db2.gz JUDXPQVVPMDDOJ-NSHDSACASA-N 1 0 185.355 3.448 10 0 AGAERO CCCC(CCC)[N@H+](C)CCC 307992954 572367792 /nfs/dbraw/zinc/36/77/92/572367792.db2.gz UWFFKZISIWMRNP-UHFFFAOYSA-N 1 0 171.328 3.297 10 0 AGAERO C=C/C=C/C/C=C1/CC[NH2+]CC1(C)C 713697917 572368492 /nfs/dbraw/zinc/36/84/92/572368492.db2.gz VNDAIURZJKWUPY-ZHDSEDTHSA-N 1 0 191.318 3.065 10 0 AGAERO CCC[C@@H](CC)[NH2+]C/C(C)=C\Cl 307994150 572371401 /nfs/dbraw/zinc/37/14/01/572371401.db2.gz ZYZWPLNDHINUKO-UJICNMFASA-N 1 0 189.730 3.297 10 0 AGAERO CCCCC[C@H](C)[C@@H](C)[NH2+]C1CC1 87144601 572376653 /nfs/dbraw/zinc/37/66/53/572376653.db2.gz QOVVQHBYKRSTAA-WDEREUQCSA-N 1 0 183.339 3.343 10 0 AGAERO Cc1ccsc1CCCCCC[NH3+] 83687835 572376660 /nfs/dbraw/zinc/37/66/60/572376660.db2.gz VDNFGJQDMWIAMG-UHFFFAOYSA-N 1 0 197.347 3.118 10 0 AGAERO C/C=C/[C@H](C/C=C/CC)[NH2+]C(C)C 238222511 572369747 /nfs/dbraw/zinc/36/97/47/572369747.db2.gz LBOKSUDKROPJML-GTAQFDPASA-N 1 0 181.323 3.285 10 0 AGAERO C=C/C=C\C/C=C1\CC[NH2+]CC1(C)C 713697916 572370025 /nfs/dbraw/zinc/37/00/25/572370025.db2.gz VNDAIURZJKWUPY-ZBKAMDABSA-N 1 0 191.318 3.065 10 0 AGAERO CCCCC(=[NH2+])c1ccccc1NC 238222094 572376679 /nfs/dbraw/zinc/37/66/79/572376679.db2.gz UNBCFEKMRUQVAV-UHFFFAOYSA-N 1 0 190.290 3.286 10 0 AGAERO CC[C@@H](C)[NH2+]C[C@H](CC)C(C)C 307993759 572370274 /nfs/dbraw/zinc/37/02/74/572370274.db2.gz VEMOJYRQSSBAGC-MNOVXSKESA-N 1 0 171.328 3.057 10 0 AGAERO CC/C=C/C[C@H]([NH2+]C)c1ccccc1 238222563 572370587 /nfs/dbraw/zinc/37/05/87/572370587.db2.gz NYIQSTRFERFWQH-BPJJOFIESA-N 1 0 189.302 3.303 10 0 AGAERO CC(C)C(C)(C)C[C@]1(C)CCC[NH2+]1 713245016 572370624 /nfs/dbraw/zinc/37/06/24/572370624.db2.gz RIVJQPJZCMWSBT-LBPRGKRZSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)C(CC[C@@H](C)[NH3+])C(C)C 307994719 572370896 /nfs/dbraw/zinc/37/08/96/572370896.db2.gz AQPYHSPQCQQHHP-SNVBAGLBSA-N 1 0 171.328 3.042 10 0 AGAERO CCC[NH2+]C[C@@](C)(CCC)C(C)C 87155369 572376703 /nfs/dbraw/zinc/37/67/03/572376703.db2.gz YPQOZYCDZCQONA-GFCCVEGCSA-N 1 0 185.355 3.448 10 0 AGAERO C=C/C=C\C/C=C1/CC[NH2+]CC1(C)C 713697914 572371222 /nfs/dbraw/zinc/37/12/22/572371222.db2.gz VNDAIURZJKWUPY-BHLOCZDVSA-N 1 0 191.318 3.065 10 0 AGAERO C=C/C=C/C/C=C1\CC[NH2+]CC1(C)C 713697915 572371479 /nfs/dbraw/zinc/37/14/79/572371479.db2.gz VNDAIURZJKWUPY-DOQHAEMYSA-N 1 0 191.318 3.065 10 0 AGAERO CC/C=C/C[C@@H]([NH2+]C)c1ccccc1 238221561 572371610 /nfs/dbraw/zinc/37/16/10/572371610.db2.gz NYIQSTRFERFWQH-DIECRNLCSA-N 1 0 189.302 3.303 10 0 AGAERO CCC(CC)C(=[NH2+])NC1CCCCC1 238221357 572371776 /nfs/dbraw/zinc/37/17/76/572371776.db2.gz CZDFPDCWRKBNLR-UHFFFAOYSA-N 1 0 196.338 3.322 10 0 AGAERO CC[C@H](C)[NH2+]C[C@H](CC)C(C)C 307993760 572372557 /nfs/dbraw/zinc/37/25/57/572372557.db2.gz VEMOJYRQSSBAGC-QWRGUYRKSA-N 1 0 171.328 3.057 10 0 AGAERO CCCCC[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 238221421 572372607 /nfs/dbraw/zinc/37/26/07/572372607.db2.gz SXWJMYXHPOYXRD-IJLUTSLNSA-N 1 0 183.339 3.343 10 0 AGAERO CC(C)C(CC[C@H](C)[NH3+])C(C)C 307994718 572372635 /nfs/dbraw/zinc/37/26/35/572372635.db2.gz AQPYHSPQCQQHHP-JTQLQIEISA-N 1 0 171.328 3.042 10 0 AGAERO CC[C@H](C)[NH2+]C[C@@H](CC)C(C)C 307993761 572372785 /nfs/dbraw/zinc/37/27/85/572372785.db2.gz VEMOJYRQSSBAGC-WDEREUQCSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@H](CC)[NH2+]C/C(C)=C\Cl 307994147 572372802 /nfs/dbraw/zinc/37/28/02/572372802.db2.gz ZYZWPLNDHINUKO-RNKPRXRFSA-N 1 0 189.730 3.297 10 0 AGAERO CC[C@H](C[NH2+][C@H](C)CC)C(C)C 307993758 572372907 /nfs/dbraw/zinc/37/29/07/572372907.db2.gz VEMOJYRQSSBAGC-GHMZBOCLSA-N 1 0 171.328 3.057 10 0 AGAERO C=C/C=C\CC[NH2+][C@H](C)[C@H]1CC1(C)C 713696817 572372920 /nfs/dbraw/zinc/37/29/20/572372920.db2.gz RJKQYWDQIQLNAS-UXFRKABBSA-N 1 0 193.334 3.143 10 0 AGAERO CCC[C@@H](C)[C@@H](C)CCCC[NH3+] 308003788 572376749 /nfs/dbraw/zinc/37/67/49/572376749.db2.gz CDVUSNKGHAWEER-MNOVXSKESA-N 1 0 171.328 3.188 10 0 AGAERO C=C/C=C/CC[NH2+][C@H](C)[C@@H]1CC1(C)C 713696807 572373179 /nfs/dbraw/zinc/37/31/79/572373179.db2.gz RJKQYWDQIQLNAS-JIVBQCDMSA-N 1 0 193.334 3.143 10 0 AGAERO CCC[N@H+](C)[C@H](C)CCC(C)C 307996206 572373580 /nfs/dbraw/zinc/37/35/80/572373580.db2.gz WKSVBXJRLMEGJG-LLVKDONJSA-N 1 0 171.328 3.153 10 0 AGAERO C/C=C(/CC)C[NH2+]C1CCCCC1 307995449 572374140 /nfs/dbraw/zinc/37/41/40/572374140.db2.gz APLYTGPAJCQDIT-JYOAFUTRSA-N 1 0 181.323 3.265 10 0 AGAERO CCC[N@H+](C)[C@H](C)c1ccsc1 307996292 572374413 /nfs/dbraw/zinc/37/44/13/572374413.db2.gz WNIOKUUAVDQLSU-SECBINFHSA-N 1 0 183.320 3.151 10 0 AGAERO CCC[N@H+](C)[C@@H](C)c1ccsc1 307996294 572374661 /nfs/dbraw/zinc/37/46/61/572374661.db2.gz WNIOKUUAVDQLSU-VIFPVBQESA-N 1 0 183.320 3.151 10 0 AGAERO C=C/C=C\CC[NH2+][C@H](C)[C@@H]1CC1(C)C 713696815 572374882 /nfs/dbraw/zinc/37/48/82/572374882.db2.gz RJKQYWDQIQLNAS-PBWNMSGQSA-N 1 0 193.334 3.143 10 0 AGAERO CC/C=C\CC[NH2+]C(C)(C)CC 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183.339 3.199 10 0 AGAERO CCC(CC)[C@H]1C[C@@H](CC)CC[NH2+]1 87174364 572383637 /nfs/dbraw/zinc/38/36/37/572383637.db2.gz MWPWSQCYWVAGKI-CMPLNLGQSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)[NH2+][C@@H](C)[C@@H](C)c1ccsc1 87146884 572383681 /nfs/dbraw/zinc/38/36/81/572383681.db2.gz WMKNJXUAMSQHEI-ZJUUUORDSA-N 1 0 197.347 3.238 10 0 AGAERO C[NH2+][C@H]1CCCCC[C@@H]1C1CCCC1 60716740 572383685 /nfs/dbraw/zinc/38/36/85/572383685.db2.gz BHXJXTPAVVEZOO-OLZOCXBDSA-N 1 0 195.350 3.345 10 0 AGAERO CCC(CC)CC[C@H]([NH3+])C(C)C 87174612 572383690 /nfs/dbraw/zinc/38/36/90/572383690.db2.gz ZGDXVQVEKLXYGT-NSHDSACASA-N 1 0 171.328 3.186 10 0 AGAERO CCC(CC)[C@@H](C)[C@H](C)[NH2+]C(C)C 87173759 572383705 /nfs/dbraw/zinc/38/37/05/572383705.db2.gz XFQPXONBNCQZQD-QWRGUYRKSA-N 1 0 185.355 3.445 10 0 AGAERO CC[NH2+][C@H](C)[C@H](C)C(CC)CC 87173743 572383717 /nfs/dbraw/zinc/38/37/17/572383717.db2.gz SPCQRXBCKPJBNK-VHSXEESVSA-N 1 0 171.328 3.057 10 0 AGAERO CC(C)[NH2+][C@H](C)[C@H](C)c1cccs1 87146797 572383729 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195.350 3.345 10 0 AGAERO C[NH2+][C@H]1CCCCC[C@H]1C1CCCC1 60716745 572386311 /nfs/dbraw/zinc/38/63/11/572386311.db2.gz BHXJXTPAVVEZOO-STQMWFEESA-N 1 0 195.350 3.345 10 0 AGAERO [NH3+][C@H]1CCCCC[C@H]1C1CCCCC1 60714483 572386331 /nfs/dbraw/zinc/38/63/31/572386331.db2.gz QTPAAVSTQGTWHN-STQMWFEESA-N 1 0 195.350 3.474 10 0 AGAERO CC[NH2+][C@H](C)C[C@H](C)C(CC)CC 87174908 572386782 /nfs/dbraw/zinc/38/67/82/572386782.db2.gz DFEXJYVWXSLWGI-WDEREUQCSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[NH2+]C[C@@H](C)CC(CC)CC 87174843 572386808 /nfs/dbraw/zinc/38/68/08/572386808.db2.gz JNZGKJVJOQTOOQ-NSHDSACASA-N 1 0 185.355 3.448 10 0 AGAERO C=C/C=C\CC[NH2+]CC(C)(C)CC 713700785 572386842 /nfs/dbraw/zinc/38/68/42/572386842.db2.gz OZJBWFGAACMJOU-FPLPWBNLSA-N 1 0 181.323 3.145 10 0 AGAERO CCC(CC)CC[C@@H](CC)[NH2+]C 87174753 572386922 /nfs/dbraw/zinc/38/69/22/572386922.db2.gz KVRILTKSNIHUKV-LLVKDONJSA-N 1 0 171.328 3.201 10 0 AGAERO CCC(CC)CC[C@@H]([NH2+]C)C1CC1 87174787 572386930 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/nfs/dbraw/zinc/38/80/03/572388003.db2.gz ZGUIFRHNTYJBAX-VHSXEESVSA-N 1 0 171.328 3.057 10 0 AGAERO C=C/C=C/CC[NH2+]CC(C)(C)CC 713700784 572388013 /nfs/dbraw/zinc/38/80/13/572388013.db2.gz OZJBWFGAACMJOU-BQYQJAHWSA-N 1 0 181.323 3.145 10 0 AGAERO CCC(CC)CC[C@H]([NH2+]C)C(C)C 87174768 572388204 /nfs/dbraw/zinc/38/82/04/572388204.db2.gz XXOMSIWOQGFVPC-LBPRGKRZSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+][C@H](C)C[C@@H](C)C(CC)CC 87174911 572388319 /nfs/dbraw/zinc/38/83/19/572388319.db2.gz DFEXJYVWXSLWGI-GHMZBOCLSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)C[C@H](C)C[NH2+]C(C)C 87174852 572388464 /nfs/dbraw/zinc/38/84/64/572388464.db2.gz QOCSBTJHFYTQRH-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@@H](C)[C@@H](C)[NH2+]C(C)(C)CC 20085478 572388614 /nfs/dbraw/zinc/38/86/14/572388614.db2.gz WSJQPEGZDDIKHJ-NXEZZACHSA-N 1 0 171.328 3.199 10 0 AGAERO CCC(CC)C(C)(C)C[C@@H](C)[NH3+] 87174932 572388655 /nfs/dbraw/zinc/38/86/55/572388655.db2.gz UULYURLENQOCMO-SECBINFHSA-N 1 0 171.328 3.186 10 0 AGAERO CCC(CC)CC[C@H](CC)[NH2+]C 87174758 572388668 /nfs/dbraw/zinc/38/86/68/572388668.db2.gz KVRILTKSNIHUKV-NSHDSACASA-N 1 0 171.328 3.201 10 0 AGAERO CCC(CC)[C@H](C)C[C@H](C)[NH2+]C 87174903 572388806 /nfs/dbraw/zinc/38/88/06/572388806.db2.gz ZGUIFRHNTYJBAX-ZJUUUORDSA-N 1 0 171.328 3.057 10 0 AGAERO CC[NH2+][C@@H](C)C[C@H](C)C(CC)CC 87174913 572388821 /nfs/dbraw/zinc/38/88/21/572388821.db2.gz DFEXJYVWXSLWGI-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+][C@@H](C)C[C@@H](C)C(CC)CC 87174916 572388825 /nfs/dbraw/zinc/38/88/25/572388825.db2.gz DFEXJYVWXSLWGI-MNOVXSKESA-N 1 0 185.355 3.447 10 0 AGAERO CCC[NH2+]C[C@H](C)CC(CC)CC 87174846 572388885 /nfs/dbraw/zinc/38/88/85/572388885.db2.gz JNZGKJVJOQTOOQ-LLVKDONJSA-N 1 0 185.355 3.448 10 0 AGAERO CCC(CC)C(C)(C)C[C@@H](C)[NH2+]C 87174936 572388949 /nfs/dbraw/zinc/38/89/49/572388949.db2.gz XBGPKHQIGBGACV-SNVBAGLBSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)C[C@H](C)C[NH2+]C1CC1 87174857 572388968 /nfs/dbraw/zinc/38/89/68/572388968.db2.gz OJCXVPAJWFAWBB-JTQLQIEISA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)[C@@H](C)C[C@H](C)[NH2+]C 87174900 572389047 /nfs/dbraw/zinc/38/90/47/572389047.db2.gz ZGUIFRHNTYJBAX-UWVGGRQHSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[NH2+]CC/C=C/C(CC)CC 87177828 572389055 /nfs/dbraw/zinc/38/90/55/572389055.db2.gz VDWLYHPFMMIVPW-VQHVLOKHSA-N 1 0 183.339 3.369 10 0 AGAERO CCC(CC)CC[C@@H]([NH2+]C)C(C)C 87174772 572389089 /nfs/dbraw/zinc/38/90/89/572389089.db2.gz XXOMSIWOQGFVPC-GFCCVEGCSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+]CC/C=C(/C)C(CC)CC 87177845 572389154 /nfs/dbraw/zinc/38/91/54/572389154.db2.gz JNBZPHMRYRNPSN-LUAWRHEFSA-N 1 0 183.339 3.369 10 0 AGAERO CCC(CC)C[C@@H](C)C[NH2+]C1CC1 87174854 572389199 /nfs/dbraw/zinc/38/91/99/572389199.db2.gz OJCXVPAJWFAWBB-SNVBAGLBSA-N 1 0 183.339 3.201 10 0 AGAERO C=C/C=C\CC[NH2+]C1(C)CCCC1 713699531 572390061 /nfs/dbraw/zinc/39/00/61/572390061.db2.gz IVVZZBFYDILWCA-PLNGDYQASA-N 1 0 179.307 3.041 10 0 AGAERO CC[NH2+]CC(CC)(CC)[C@@H](C)CC 87172876 572399352 /nfs/dbraw/zinc/39/93/52/572399352.db2.gz LSPLQAZMWDFEBU-NSHDSACASA-N 1 0 185.355 3.448 10 0 AGAERO CC[NH2+]C[C@@](C)(CC)CC(C)(C)C 713246209 572390450 /nfs/dbraw/zinc/39/04/50/572390450.db2.gz VSXVYHJPSYLHTR-LBPRGKRZSA-N 1 0 185.355 3.448 10 0 AGAERO CCC(C)(C)C[C@H]([NH3+])c1ccoc1C 713246062 572391387 /nfs/dbraw/zinc/39/13/87/572391387.db2.gz CZGBNGFZXUZMPA-NSHDSACASA-N 1 0 195.306 3.414 10 0 AGAERO C=C/C=C\CC[NH2+]C(C)(C)CCC 713699530 572391923 /nfs/dbraw/zinc/39/19/23/572391923.db2.gz IVCQXUYRMDFNHJ-FPLPWBNLSA-N 1 0 181.323 3.287 10 0 AGAERO C[NH2+][C@@H](CC(C)(C)C(C)C)C(C)C 713246766 572393125 /nfs/dbraw/zinc/39/31/25/572393125.db2.gz WMVZRFHFYXRUOX-NSHDSACASA-N 1 0 185.355 3.303 10 0 AGAERO CCCCCC[C@]1(C)[NH2+]C(C)(C)CO1 238229877 572393271 /nfs/dbraw/zinc/39/32/71/572393271.db2.gz VFPKJYNMLLYIFC-GFCCVEGCSA-N 1 0 199.338 3.071 10 0 AGAERO CC[NH2+][C@H](CC(C)(C)C)[C@]1(C)C[C@@H]1C 713245116 572393622 /nfs/dbraw/zinc/39/36/22/572393622.db2.gz YCZFVFGGKTXKHZ-DMDPSCGWSA-N 1 0 197.366 3.447 10 0 AGAERO C=C/C=C/CC[NH2+]C(C)(C)CCC 713699528 572393898 /nfs/dbraw/zinc/39/38/98/572393898.db2.gz IVCQXUYRMDFNHJ-BQYQJAHWSA-N 1 0 181.323 3.287 10 0 AGAERO C=C/C=C/CC[NH2+]C1(C)CCCC1 713699532 572393992 /nfs/dbraw/zinc/39/39/92/572393992.db2.gz IVVZZBFYDILWCA-SNAWJCMRSA-N 1 0 179.307 3.041 10 0 AGAERO CC[NH2+][C@H](C(CC)CC)[C@@H](C)CC 87170357 572394648 /nfs/dbraw/zinc/39/46/48/572394648.db2.gz KVTFEVGCCXPTHT-JQWIXIFHSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC(C)(C)C 713246861 572394657 /nfs/dbraw/zinc/39/46/57/572394657.db2.gz XWGRGMZMMFRWSF-SDDRHHMPSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[NH2+][C@H](C(CC)CC)[C@H]1C[C@@H]1C 87170906 572394753 /nfs/dbraw/zinc/39/47/53/572394753.db2.gz VUWNFDUPTYMHTD-WCFLWFBJSA-N 1 0 197.366 3.447 10 0 AGAERO CCC(CC)[C@@H]([NH2+]C)C(C)(C)C 87170027 572394763 /nfs/dbraw/zinc/39/47/63/572394763.db2.gz VLYZHWRMPGGJDQ-SNVBAGLBSA-N 1 0 171.328 3.057 10 0 AGAERO CC[NH2+][C@@H](C(CC)CC)[C@H](C)CC 87170359 572394787 /nfs/dbraw/zinc/39/47/87/572394787.db2.gz KVTFEVGCCXPTHT-ZYHUDNBSSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)[C@@H]([NH3+])C1CCCCC1 87169874 572394805 /nfs/dbraw/zinc/39/48/05/572394805.db2.gz DTMHBFZQJCTVTF-GFCCVEGCSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(CC)[C@@](C)([NH3+])[C@H](C)CC 87168986 572394812 /nfs/dbraw/zinc/39/48/12/572394812.db2.gz NTPKTONSARLWAP-KOLCDFICSA-N 1 0 171.328 3.186 10 0 AGAERO CCC(CC)[C@@]1(C(C)C)CCC[NH2+]1 87170988 572395169 /nfs/dbraw/zinc/39/51/69/572395169.db2.gz PWZUMOWWHAIELJ-LBPRGKRZSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)[C@@H]([NH2+]C)C1CCCC1 87170063 572394980 /nfs/dbraw/zinc/39/49/80/572394980.db2.gz MZIWRVTYTXRCPS-GFCCVEGCSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)[C@@H]([NH2+]C)c1ccsc1 87169930 572394994 /nfs/dbraw/zinc/39/49/94/572394994.db2.gz IBUZCSLRENBCLC-LLVKDONJSA-N 1 0 197.347 3.445 10 0 AGAERO CC[NH2+][C@H](C(CC)CC)[C@@H]1C[C@@H]1C 87170898 572395009 /nfs/dbraw/zinc/39/50/09/572395009.db2.gz AGXLLKHYLBRNBH-MVWJERBFSA-N 1 0 183.339 3.057 10 0 AGAERO CCC[C@H]([NH2+]CC)C(CC)CC 87170006 572395022 /nfs/dbraw/zinc/39/50/22/572395022.db2.gz MQOWAYNSTJVBSH-NSHDSACASA-N 1 0 171.328 3.201 10 0 AGAERO CCC(CC)[C@H]([NH2+]C)[C@@H](C)CC 87170354 572395033 /nfs/dbraw/zinc/39/50/33/572395033.db2.gz FFCDQGMMGWNDID-GXSJLCMTSA-N 1 0 171.328 3.057 10 0 AGAERO CCC(CC)[C@]1([NH3+])CC[C@@H](CC)C1 87169055 572395088 /nfs/dbraw/zinc/39/50/88/572395088.db2.gz DISQQKMVXSFBDC-PWSUYJOCSA-N 1 0 183.339 3.330 10 0 AGAERO CC(C)(C)[NH2+]CC/C=C\[Si](C)(C)C 308008966 572395109 /nfs/dbraw/zinc/39/51/09/572395109.db2.gz HJPVQFRKEKFIRS-NTMALXAHSA-N 1 0 199.414 3.198 10 0 AGAERO CCCC[C@H]([NH2+]C)C(CC)CC 87171169 572395111 /nfs/dbraw/zinc/39/51/11/572395111.db2.gz KIOVTXXXXURKIF-NSHDSACASA-N 1 0 171.328 3.201 10 0 AGAERO CCC(CC)[C@](C)([NH3+])[C@H](C)CC 87168989 572395117 /nfs/dbraw/zinc/39/51/17/572395117.db2.gz NTPKTONSARLWAP-MWLCHTKSSA-N 1 0 171.328 3.186 10 0 AGAERO C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC(C)(C)C 713246860 572395248 /nfs/dbraw/zinc/39/52/48/572395248.db2.gz XWGRGMZMMFRWSF-QJPTWQEYSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[NH2+][C@@H](C(CC)CC)C1CC1 87170022 572395262 /nfs/dbraw/zinc/39/52/62/572395262.db2.gz MGPQHJVBRFXDNI-LBPRGKRZSA-N 1 0 183.339 3.201 10 0 AGAERO CCCC[C@@H]([NH2+]C)C(CC)CC 87171171 572395388 /nfs/dbraw/zinc/39/53/88/572395388.db2.gz KIOVTXXXXURKIF-LLVKDONJSA-N 1 0 171.328 3.201 10 0 AGAERO CC[NH2+][C@@H](C(CC)CC)C1CCC1 87170476 572395404 /nfs/dbraw/zinc/39/54/04/572395404.db2.gz UCRAHVAYCQXPFV-LBPRGKRZSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)[C@H]([NH2+]C)[C@H](C)CC 87170352 572395641 /nfs/dbraw/zinc/39/56/41/572395641.db2.gz FFCDQGMMGWNDID-MWLCHTKSSA-N 1 0 171.328 3.057 10 0 AGAERO CCC(CC)[C@]1([NH3+])CC[C@H](CC)C1 87169057 572396110 /nfs/dbraw/zinc/39/61/10/572396110.db2.gz DISQQKMVXSFBDC-JQWIXIFHSA-N 1 0 183.339 3.330 10 0 AGAERO CC[NH2+][C@H](C(CC)CC)C(C)(C)C 87170030 572395649 /nfs/dbraw/zinc/39/56/49/572395649.db2.gz ZBATUBGKVBZUNO-LLVKDONJSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)[C@H](CCC(C)C)[NH2+]C 87170137 572395761 /nfs/dbraw/zinc/39/57/61/572395761.db2.gz APEZETHOAJGQNO-LBPRGKRZSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC(C)(C)C 713246858 572395866 /nfs/dbraw/zinc/39/58/66/572395866.db2.gz XWGRGMZMMFRWSF-GRYCIOLGSA-N 1 0 197.366 3.447 10 0 AGAERO CCC(CC)[C@@H](CC(C)(C)C)[NH2+]C 87170383 572395961 /nfs/dbraw/zinc/39/59/61/572395961.db2.gz QANOUDWLYKYUTR-LLVKDONJSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)[C@]1(C(C)C)CCC[NH2+]1 87170986 572396072 /nfs/dbraw/zinc/39/60/72/572396072.db2.gz PWZUMOWWHAIELJ-GFCCVEGCSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@@H](CC(C)C)C(CC)CC 87169973 572396087 /nfs/dbraw/zinc/39/60/87/572396087.db2.gz FIYMQMQMDZTKHQ-LBPRGKRZSA-N 1 0 185.355 3.447 10 0 AGAERO C/C=C/[C@H](CCCC)[NH2+]C(C)C 238228977 572396102 /nfs/dbraw/zinc/39/61/02/572396102.db2.gz XAPJVWWXONCYBJ-LXSSAFMLSA-N 1 0 169.312 3.119 10 0 AGAERO CCC(CC)[C@](C)([NH3+])[C@@H](C)CC 87168991 572396304 /nfs/dbraw/zinc/39/63/04/572396304.db2.gz NTPKTONSARLWAP-GXSJLCMTSA-N 1 0 171.328 3.186 10 0 AGAERO CCC(CC)[C@@](C)([NH3+])[C@@H](C)CC 87168987 572396335 /nfs/dbraw/zinc/39/63/35/572396335.db2.gz NTPKTONSARLWAP-ONGXEEELSA-N 1 0 171.328 3.186 10 0 AGAERO CCC[C@@H]1[NH2+]C[C@H](CC)C[C@H]1CC 308008586 572396341 /nfs/dbraw/zinc/39/63/41/572396341.db2.gz HDNXKJANWJWKKO-UTUOFQBUSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)[C@@H](CCC(C)C)[NH2+]C 87170135 572396396 /nfs/dbraw/zinc/39/63/96/572396396.db2.gz APEZETHOAJGQNO-GFCCVEGCSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+][C@@H](C(CC)CC)C(C)(C)C 87170028 572396474 /nfs/dbraw/zinc/39/64/74/572396474.db2.gz ZBATUBGKVBZUNO-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+][C@H](c1ccoc1)C(CC)CC 87170412 572396515 /nfs/dbraw/zinc/39/65/15/572396515.db2.gz VHQGXUNLILBPKT-LBPRGKRZSA-N 1 0 195.306 3.366 10 0 AGAERO CCC(CC)[C@]([NH3+])(CC)C(C)C 87168994 572396526 /nfs/dbraw/zinc/39/65/26/572396526.db2.gz ZBFQSAWSRWYMQR-NSHDSACASA-N 1 0 171.328 3.186 10 0 AGAERO CC1=C(CC[C@@H](C)[NH3+])[C@@H](C(C)C)CC1 238229045 572396557 /nfs/dbraw/zinc/39/65/57/572396557.db2.gz MFUNFJDRFKLTOA-VXGBXAGGSA-N 1 0 195.350 3.496 10 0 AGAERO CCC[C@@]1(C(CC)CC)CCC[NH2+]1 87170980 572396559 /nfs/dbraw/zinc/39/65/59/572396559.db2.gz CIANZIQYEAQKFJ-LBPRGKRZSA-N 1 0 183.339 3.345 10 0 AGAERO CCCC[C@H](C)[NH2+]C1(C)CCC1 308008822 572396648 /nfs/dbraw/zinc/39/66/48/572396648.db2.gz FIAKYXVOXBHAPH-JTQLQIEISA-N 1 0 169.312 3.097 10 0 AGAERO CC[NH2+][C@H](C(CC)CC)[C@H](C)CC 87170356 572396720 /nfs/dbraw/zinc/39/67/20/572396720.db2.gz KVTFEVGCCXPTHT-PWSUYJOCSA-N 1 0 185.355 3.447 10 0 AGAERO CC1=C(CC[C@H](C)[NH3+])[C@@H](C(C)C)CC1 238229061 572396738 /nfs/dbraw/zinc/39/67/38/572396738.db2.gz MFUNFJDRFKLTOA-NWDGAFQWSA-N 1 0 195.350 3.496 10 0 AGAERO CCC[C@]1(C(CC)CC)CCC[NH2+]1 87170978 572396806 /nfs/dbraw/zinc/39/68/06/572396806.db2.gz CIANZIQYEAQKFJ-GFCCVEGCSA-N 1 0 183.339 3.345 10 0 AGAERO CCC(CC)[C@@H]([NH3+])CCC(F)(F)F 87171303 572396878 /nfs/dbraw/zinc/39/68/78/572396878.db2.gz SFWCRTPTGSYVHT-QMMMGPOBSA-N 1 0 197.244 3.092 10 0 AGAERO CCC(CC)[C@H]([NH2+]C)[C@@H]1CC[C@H](C)C1 87170832 572396934 /nfs/dbraw/zinc/39/69/34/572396934.db2.gz IPSMEWAHIRZLNM-UHTWSYAYSA-N 1 0 197.366 3.447 10 0 AGAERO CCC(CC)[C@H]([NH2+]C)C(C)(C)C 87170025 572396958 /nfs/dbraw/zinc/39/69/58/572396958.db2.gz VLYZHWRMPGGJDQ-JTQLQIEISA-N 1 0 171.328 3.057 10 0 AGAERO CCC(CC)[C@@]1([NH3+])CC[C@H](CC)C1 87169053 572396981 /nfs/dbraw/zinc/39/69/81/572396981.db2.gz DISQQKMVXSFBDC-CMPLNLGQSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(CC)[C@@H]([NH3+])CCC(C)C 87170134 572397050 /nfs/dbraw/zinc/39/70/50/572397050.db2.gz PQOGVJRWGJTUCU-NSHDSACASA-N 1 0 171.328 3.186 10 0 AGAERO CCC(CC)[C@@]1([NH3+])CC[C@@H](CC)C1 87169051 572397085 /nfs/dbraw/zinc/39/70/85/572397085.db2.gz DISQQKMVXSFBDC-ZYHUDNBSSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(CC)[C@H]([NH2+]C)c1ccsc1 87169928 572397093 /nfs/dbraw/zinc/39/70/93/572397093.db2.gz IBUZCSLRENBCLC-NSHDSACASA-N 1 0 197.347 3.445 10 0 AGAERO CCC(CC)[C@H]([NH2+]C)[C@H]1CC[C@H](C)C1 87170836 572397282 /nfs/dbraw/zinc/39/72/82/572397282.db2.gz IPSMEWAHIRZLNM-DRZSPHRISA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@@H](C(CC)CC)[C@@H](C)CC 87170360 572397357 /nfs/dbraw/zinc/39/73/57/572397357.db2.gz KVTFEVGCCXPTHT-CMPLNLGQSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)[C@H]([NH3+])CC(C)(C)C 87170379 572397380 /nfs/dbraw/zinc/39/73/80/572397380.db2.gz XUQVFQRDNAKUOU-SNVBAGLBSA-N 1 0 171.328 3.186 10 0 AGAERO CCCC[C@@H](C)[NH2+]C1(C)CCC1 308008824 572397434 /nfs/dbraw/zinc/39/74/34/572397434.db2.gz FIAKYXVOXBHAPH-SNVBAGLBSA-N 1 0 169.312 3.097 10 0 AGAERO CCC[NH2+][C@H](C(CC)CC)[C@@H]1C[C@@H]1C 87170902 572397546 /nfs/dbraw/zinc/39/75/46/572397546.db2.gz VUWNFDUPTYMHTD-CYZMBNFOSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H](C)C1(C[NH2+]C)CCCCC1 87172537 572400292 /nfs/dbraw/zinc/40/02/92/572400292.db2.gz DBLGXPPLCXTGRZ-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CCC(CC)[C@H](CC(C)C)[NH2+]C 87169969 572397607 /nfs/dbraw/zinc/39/76/07/572397607.db2.gz ZFGRSVZRXZNFCV-NSHDSACASA-N 1 0 171.328 3.057 10 0 AGAERO CCC[NH2+][C@H](C(CC)CC)C1CC1 87170020 572397648 /nfs/dbraw/zinc/39/76/48/572397648.db2.gz MGPQHJVBRFXDNI-GFCCVEGCSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H](C(CC)CC)C1CCC1 87170478 572397809 /nfs/dbraw/zinc/39/78/09/572397809.db2.gz UCRAHVAYCQXPFV-GFCCVEGCSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)[C@H]([NH3+])C1CCCCC1 87169868 572397866 /nfs/dbraw/zinc/39/78/66/572397866.db2.gz DTMHBFZQJCTVTF-LBPRGKRZSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(CC)[C@H]([NH3+])CCC(F)(F)F 87171301 572397877 /nfs/dbraw/zinc/39/78/77/572397877.db2.gz SFWCRTPTGSYVHT-MRVPVSSYSA-N 1 0 197.244 3.092 10 0 AGAERO CC[NH2+][C@H](C(CC)CC)[C@H]1C[C@@H]1C 87170900 572397922 /nfs/dbraw/zinc/39/79/22/572397922.db2.gz AGXLLKHYLBRNBH-ZMLRMANQSA-N 1 0 183.339 3.057 10 0 AGAERO CCC(CC)[C@@H]([NH3+])CC(C)(C)C 87170381 572397943 /nfs/dbraw/zinc/39/79/43/572397943.db2.gz XUQVFQRDNAKUOU-JTQLQIEISA-N 1 0 171.328 3.186 10 0 AGAERO CCC(CC)[C@H]([NH3+])[C@H]1CC[C@H](C)C1 87170828 572397958 /nfs/dbraw/zinc/39/79/58/572397958.db2.gz WXTADXCOBAXBKW-DLOVCJGASA-N 1 0 183.339 3.186 10 0 AGAERO CCC[C@@H]([NH2+]CC)C(CC)CC 87170007 572397960 /nfs/dbraw/zinc/39/79/60/572397960.db2.gz MQOWAYNSTJVBSH-LLVKDONJSA-N 1 0 171.328 3.201 10 0 AGAERO CCC(CC)[C@H]([NH2+]C)C1CCCC1 87170061 572397974 /nfs/dbraw/zinc/39/79/74/572397974.db2.gz MZIWRVTYTXRCPS-LBPRGKRZSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)[C@@H]([NH2+]C)[C@@H](C)CC 87170350 572398009 /nfs/dbraw/zinc/39/80/09/572398009.db2.gz FFCDQGMMGWNDID-ONGXEEELSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@@](C)(C[NH3+])C(CC)CC 87172405 572400189 /nfs/dbraw/zinc/40/01/89/572400189.db2.gz UUPHJSHLQQYMNV-NSHDSACASA-N 1 0 171.328 3.188 10 0 AGAERO CC[C@H](C)[C@@H](CC)C[NH2+]CC(C)C 87172296 572398941 /nfs/dbraw/zinc/39/89/41/572398941.db2.gz FNGMGVLRLLRDOT-RYUDHWBXSA-N 1 0 185.355 3.304 10 0 AGAERO CCC(CC)C1(C[NH2+]C)CCCC1 87172591 572398289 /nfs/dbraw/zinc/39/82/89/572398289.db2.gz HNJLQOJHBMYWEM-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@H](C)C(C)(C)C[NH2+]CC(C)C 87172507 572398444 /nfs/dbraw/zinc/39/84/44/572398444.db2.gz JCYSVDSPTZPYRZ-NSHDSACASA-N 1 0 185.355 3.304 10 0 AGAERO CC[NH2+]C[C@](C)(CC)C(CC)CC 87172970 572398505 /nfs/dbraw/zinc/39/85/05/572398505.db2.gz BDGJXFFGUSJVJV-LBPRGKRZSA-N 1 0 185.355 3.448 10 0 AGAERO CC[NH2+]CC1([C@@H](C)CC)CCCC1 87172604 572398509 /nfs/dbraw/zinc/39/85/09/572398509.db2.gz DBSIUKLVHSTCIE-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@H](C)[C@@H](CC)C[NH2+]C(C)(C)C 87172284 572398561 /nfs/dbraw/zinc/39/85/61/572398561.db2.gz FUYRKKVJVZWBCM-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@H](C)[C@@H](C[NH2+]C1CC1)CC(C)C 87172069 572398567 /nfs/dbraw/zinc/39/85/67/572398567.db2.gz UCKGGLPSRACAAU-NWDGAFQWSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@](C)(C[NH2+]CC)[C@H](C)CC 87172680 572398584 /nfs/dbraw/zinc/39/85/84/572398584.db2.gz KFEFLYVLFJZDKQ-VXGBXAGGSA-N 1 0 185.355 3.448 10 0 AGAERO CC[C@H](C[NH2+]C(C)(C)C)[C@H](C)CC 87172286 572398607 /nfs/dbraw/zinc/39/86/07/572398607.db2.gz FUYRKKVJVZWBCM-GHMZBOCLSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)[C@H](C[NH2+]C)CC(C)C 87172023 572398608 /nfs/dbraw/zinc/39/86/08/572398608.db2.gz RIRSASBOTYWFNO-LBPRGKRZSA-N 1 0 185.355 3.304 10 0 AGAERO CC[NH2+]C[C@@](C)(CC)[C@H](C)CC 87172978 572398618 /nfs/dbraw/zinc/39/86/18/572398618.db2.gz NUNQVEFGSQWXHQ-GHMZBOCLSA-N 1 0 171.328 3.058 10 0 AGAERO CCC(CC)C(C)(C)C[NH2+]C1CC1 87172493 572398620 /nfs/dbraw/zinc/39/86/20/572398620.db2.gz SKPVNXLVHLHEOX-UHFFFAOYSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H](C)[C@](C)(CC)C[NH2+]C(C)C 87173010 572398674 /nfs/dbraw/zinc/39/86/74/572398674.db2.gz XZPVTNGJQMBGIF-NWDGAFQWSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+]C[C@](C)(CC)[C@H](C)CC 87172974 572398697 /nfs/dbraw/zinc/39/86/97/572398697.db2.gz NUNQVEFGSQWXHQ-MNOVXSKESA-N 1 0 171.328 3.058 10 0 AGAERO CCC[C@H](C[NH2+]CC)[C@H](C)CC 87172110 572398836 /nfs/dbraw/zinc/39/88/36/572398836.db2.gz QQCCLNAIUHQFEH-GHMZBOCLSA-N 1 0 171.328 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UXTGSIWSPAZTAM-TUAOUCFPSA-N 1 0 183.339 3.186 10 0 AGAERO CCCC[C@@H](c1ccccc1)[C@@H](C)[NH3+] 238238530 572424528 /nfs/dbraw/zinc/42/45/28/572424528.db2.gz ZFICAUZIQHJIIP-DGCLKSJQSA-N 1 0 191.318 3.308 10 0 AGAERO C[C@H]([NH3+])C/C(Cl)=C\c1ccccc1 44461395 572424686 /nfs/dbraw/zinc/42/46/86/572424686.db2.gz PFDCYHLFTLTDHC-OHMLCJAVSA-N 1 0 195.693 3.004 10 0 AGAERO CC[C@@](C)([NH3+])c1cccc2ccoc12 107174452 572424741 /nfs/dbraw/zinc/42/47/41/572424741.db2.gz KHEMEFFPPXWEJW-GFCCVEGCSA-N 1 0 189.258 3.017 10 0 AGAERO CCCCC1([NH2+]CC)CCCC1 238238370 572424762 /nfs/dbraw/zinc/42/47/62/572424762.db2.gz IJLJZRGDADGVMH-UHFFFAOYSA-N 1 0 169.312 3.099 10 0 AGAERO C[Si](C)(C)C[C@@H]([NH3+])c1ccccc1 196622225 572425324 /nfs/dbraw/zinc/42/53/24/572425324.db2.gz UWCYCARIMVPAMX-LLVKDONJSA-N 1 0 193.366 3.025 10 0 AGAERO C[Si](C)(C)C[C@H]([NH3+])c1ccccc1 196622209 572425539 /nfs/dbraw/zinc/42/55/39/572425539.db2.gz UWCYCARIMVPAMX-NSHDSACASA-N 1 0 193.366 3.025 10 0 AGAERO CCC(CC)c1ccc(C2([NH3+])CC2)o1 214745283 572427385 /nfs/dbraw/zinc/42/73/85/572427385.db2.gz KJGFDSPHIRCOBZ-UHFFFAOYSA-N 1 0 193.290 3.131 10 0 AGAERO [NH3+]Cc1cc2ccc3ccccc3c2o1 83820147 572427010 /nfs/dbraw/zinc/42/70/10/572427010.db2.gz DKMVQPQPUSDEDV-UHFFFAOYSA-N 1 0 197.237 3.045 10 0 AGAERO C[NH2+]C[C@H](C)c1cccc2ccccc12 83823652 572427216 /nfs/dbraw/zinc/42/72/16/572427216.db2.gz HMFRDZYZAGFFDQ-NSHDSACASA-N 1 0 199.297 3.163 10 0 AGAERO C[NH2+]C[C@@H](C)c1cccc2ccccc12 83823655 572427487 /nfs/dbraw/zinc/42/74/87/572427487.db2.gz HMFRDZYZAGFFDQ-LLVKDONJSA-N 1 0 199.297 3.163 10 0 AGAERO CCCC[C@@H](CC)C[NH2+]C1CCC1 44480275 572428252 /nfs/dbraw/zinc/42/82/52/572428252.db2.gz CEXBTNYDNGGLKY-LLVKDONJSA-N 1 0 183.339 3.345 10 0 AGAERO CCCC[C@H](C[NH3+])c1ccccc1C 83825453 572428686 /nfs/dbraw/zinc/42/86/86/572428686.db2.gz YHSQGAWFOVLZLH-GFCCVEGCSA-N 1 0 191.318 3.228 10 0 AGAERO C[NH2+]C[C@@H](CC(C)C)c1ccccc1 83827176 572428759 /nfs/dbraw/zinc/42/87/59/572428759.db2.gz OYMXZOHWPAOUMQ-CYBMUJFWSA-N 1 0 191.318 3.036 10 0 AGAERO C[NH2+][C@H](CC(C)(C)C(C)C)[C@@H]1C[C@H]1C 713248586 572429934 /nfs/dbraw/zinc/42/99/34/572429934.db2.gz OIZBHUQMMNWHFB-IJLUTSLNSA-N 1 0 197.366 3.303 10 0 AGAERO CCCC[C@H](C)CC[NH2+]CCC 83824079 572428775 /nfs/dbraw/zinc/42/87/75/572428775.db2.gz PPKMTIQUYUCGNC-NSHDSACASA-N 1 0 171.328 3.202 10 0 AGAERO CCCCCC[C@@H]([NH3+])CCCC 83825056 572428810 /nfs/dbraw/zinc/42/88/10/572428810.db2.gz LEQCUCXZWOVKQT-NSHDSACASA-N 1 0 171.328 3.474 10 0 AGAERO CCCCC1(CCCC)C[C@H](C)[NH2+]1 238238007 572428852 /nfs/dbraw/zinc/42/88/52/572428852.db2.gz PKKYIVDLALJYJM-NSHDSACASA-N 1 0 183.339 3.487 10 0 AGAERO CCCC[C@@H](C[NH2+]C)c1ccccc1 83827181 572428866 /nfs/dbraw/zinc/42/88/66/572428866.db2.gz GNVHNVFAGUFOQF-ZDUSSCGKSA-N 1 0 191.318 3.180 10 0 AGAERO CCCCC1(CCCC)C[C@@H](C)[NH2+]1 238237997 572428893 /nfs/dbraw/zinc/42/88/93/572428893.db2.gz PKKYIVDLALJYJM-LLVKDONJSA-N 1 0 183.339 3.487 10 0 AGAERO CC(C)CC[C@@H](C[NH3+])c1ccccc1 83827151 572428950 /nfs/dbraw/zinc/42/89/50/572428950.db2.gz USAMDLKKNXMELF-ZDUSSCGKSA-N 1 0 191.318 3.165 10 0 AGAERO C[NH2+]C[C@@H](C)c1ccc2ccccc2c1 83824151 572429090 /nfs/dbraw/zinc/42/90/90/572429090.db2.gz ZXTRAIPGWLZADB-LLVKDONJSA-N 1 0 199.297 3.163 10 0 AGAERO CCCCCC[C@H]([NH3+])CCCC 83825054 572429302 /nfs/dbraw/zinc/42/93/02/572429302.db2.gz LEQCUCXZWOVKQT-LLVKDONJSA-N 1 0 171.328 3.474 10 0 AGAERO CC(C)C[C@H](c1ccccc1)[C@@H](C)[NH3+] 83824623 572429314 /nfs/dbraw/zinc/42/93/14/572429314.db2.gz TUSUMDNSPMEKSW-YPMHNXCESA-N 1 0 191.318 3.164 10 0 AGAERO CCCC[NH2+]CC1C(C)(C)C1(C)C 83824282 572429382 /nfs/dbraw/zinc/42/93/82/572429382.db2.gz NKEPIJHVQBZQIX-UHFFFAOYSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)[C@H](C)CC[NH2+]C(C)(C)C 83823942 572429677 /nfs/dbraw/zinc/42/96/77/572429677.db2.gz XBFUOCUMHXVJIS-SNVBAGLBSA-N 1 0 171.328 3.057 10 0 AGAERO C[NH2+][C@H](CC(C)(C)C(C)C)[C@H]1C[C@@H]1C 713248597 572429778 /nfs/dbraw/zinc/42/97/78/572429778.db2.gz OIZBHUQMMNWHFB-SDDRHHMPSA-N 1 0 197.366 3.303 10 0 AGAERO CC(C)C[C@H](c1ccccc1)[C@H](C)[NH3+] 83824628 572429866 /nfs/dbraw/zinc/42/98/66/572429866.db2.gz TUSUMDNSPMEKSW-AAEUAGOBSA-N 1 0 191.318 3.164 10 0 AGAERO CC[C@@H](C)C[C@@H](C[NH3+])c1ccccc1 83827133 572429874 /nfs/dbraw/zinc/42/98/74/572429874.db2.gz YMBZJLMMXPWEBB-YPMHNXCESA-N 1 0 191.318 3.165 10 0 AGAERO C[NH2+]C[C@H](CC(C)C)c1ccccc1 83827175 572430141 /nfs/dbraw/zinc/43/01/41/572430141.db2.gz OYMXZOHWPAOUMQ-ZDUSSCGKSA-N 1 0 191.318 3.036 10 0 AGAERO CCCC[C@@H](C)CC[NH2+]CCC 83824078 572430251 /nfs/dbraw/zinc/43/02/51/572430251.db2.gz PPKMTIQUYUCGNC-LLVKDONJSA-N 1 0 171.328 3.202 10 0 AGAERO C[NH2+]CCCC[C@@H](C)C(C)(C)C 308020436 572430383 /nfs/dbraw/zinc/43/03/83/572430383.db2.gz UFLQLGIKIJWCBM-SNVBAGLBSA-N 1 0 171.328 3.058 10 0 AGAERO CC(C)(C)[NH2+]C[C@H]1C[C@]1(C)C1(C)CC1 87367490 572430417 /nfs/dbraw/zinc/43/04/17/572430417.db2.gz SCKZFVVPNPFFOO-MFKMUULPSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@H](C)C[C@H](C[NH3+])c1ccccc1 83827136 572430564 /nfs/dbraw/zinc/43/05/64/572430564.db2.gz YMBZJLMMXPWEBB-WCQYABFASA-N 1 0 191.318 3.165 10 0 AGAERO C[NH2+][C@H](CC(C)(C)C(C)C)[C@@H]1C[C@@H]1C 713248593 572430577 /nfs/dbraw/zinc/43/05/77/572430577.db2.gz OIZBHUQMMNWHFB-QJPTWQEYSA-N 1 0 197.366 3.303 10 0 AGAERO CC(C)CC[C@H](C[NH3+])c1ccccc1 83827152 572430686 /nfs/dbraw/zinc/43/06/86/572430686.db2.gz USAMDLKKNXMELF-CYBMUJFWSA-N 1 0 191.318 3.165 10 0 AGAERO CC[C@@H](C)C[C@H](C[NH3+])c1ccccc1 83827135 572431108 /nfs/dbraw/zinc/43/11/08/572431108.db2.gz YMBZJLMMXPWEBB-DGCLKSJQSA-N 1 0 191.318 3.165 10 0 AGAERO CC(C)C[C@@H](c1ccccc1)[C@H](C)[NH3+] 83824625 572431210 /nfs/dbraw/zinc/43/12/10/572431210.db2.gz TUSUMDNSPMEKSW-WCQYABFASA-N 1 0 191.318 3.164 10 0 AGAERO CCCC[C@@H](C[NH3+])c1ccccc1C 83825450 572431227 /nfs/dbraw/zinc/43/12/27/572431227.db2.gz YHSQGAWFOVLZLH-LBPRGKRZSA-N 1 0 191.318 3.228 10 0 AGAERO CC=C=C(CCCCCC)C[NH2+]C 308021300 572431309 /nfs/dbraw/zinc/43/13/09/572431309.db2.gz SWAQNHHEBGDXBQ-UHFFFAOYSA-N 1 0 181.323 3.278 10 0 AGAERO CCCC[C@H](C[NH2+]C)c1ccccc1 83827182 572431548 /nfs/dbraw/zinc/43/15/48/572431548.db2.gz GNVHNVFAGUFOQF-CYBMUJFWSA-N 1 0 191.318 3.180 10 0 AGAERO CCCC[C@@H](C[NH3+])c1cccc(C)c1 83825468 572431587 /nfs/dbraw/zinc/43/15/87/572431587.db2.gz ZRMQFQKJCGGOKY-ZDUSSCGKSA-N 1 0 191.318 3.228 10 0 AGAERO CC[C@H](C)C[C@@H](C[NH3+])c1ccccc1 83827134 572431634 /nfs/dbraw/zinc/43/16/34/572431634.db2.gz YMBZJLMMXPWEBB-AAEUAGOBSA-N 1 0 191.318 3.165 10 0 AGAERO CC(C)[C@@H](C)CC[NH2+]C(C)(C)C 83823941 572431746 /nfs/dbraw/zinc/43/17/46/572431746.db2.gz XBFUOCUMHXVJIS-JTQLQIEISA-N 1 0 171.328 3.057 10 0 AGAERO CCCC[C@H](C[NH3+])c1cccc(C)c1 83825471 572431837 /nfs/dbraw/zinc/43/18/37/572431837.db2.gz ZRMQFQKJCGGOKY-CYBMUJFWSA-N 1 0 191.318 3.228 10 0 AGAERO CC(C)C[C@@H](c1ccccc1)[C@@H](C)[NH3+] 83824621 572432025 /nfs/dbraw/zinc/43/20/25/572432025.db2.gz TUSUMDNSPMEKSW-DGCLKSJQSA-N 1 0 191.318 3.164 10 0 AGAERO CC(C)(C)[NH2+]C[C@@H]1C[C@]1(C)C1(C)CC1 87367494 572432744 /nfs/dbraw/zinc/43/27/44/572432744.db2.gz SCKZFVVPNPFFOO-GWCFXTLKSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[NH2+]C[C@@H]1C[C@]1(C)C1(C)CC1 87367500 572432213 /nfs/dbraw/zinc/43/22/13/572432213.db2.gz ZLYLQWVOTOBORM-AAEUAGOBSA-N 1 0 195.350 3.058 10 0 AGAERO CC(C)C[NH2+]C[C@@H]1C[C@@]1(C)C1(C)CC1 87367497 572432328 /nfs/dbraw/zinc/43/23/28/572432328.db2.gz ZLYLQWVOTOBORM-WCQYABFASA-N 1 0 195.350 3.058 10 0 AGAERO C[NH2+]C[C@H](C)c1ccc2ccccc2c1 83824150 572432465 /nfs/dbraw/zinc/43/24/65/572432465.db2.gz ZXTRAIPGWLZADB-NSHDSACASA-N 1 0 199.297 3.163 10 0 AGAERO CC(C)C[NH2+]C[C@H]1C[C@@]1(C)C1(C)CC1 87367498 572432775 /nfs/dbraw/zinc/43/27/75/572432775.db2.gz ZLYLQWVOTOBORM-DGCLKSJQSA-N 1 0 195.350 3.058 10 0 AGAERO CC(C)(C)[NH2+]C[C@@H]1C[C@@]1(C)C1(C)CC1 87367492 572433036 /nfs/dbraw/zinc/43/30/36/572433036.db2.gz SCKZFVVPNPFFOO-GXFFZTMASA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@H]([NH3+])C(C(C)C)C(C)C 308021005 572433083 /nfs/dbraw/zinc/43/30/83/572433083.db2.gz UNTHZKRZCCOGSO-JTQLQIEISA-N 1 0 171.328 3.042 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH2+]CC2CCC2)[C@@H]1C 83838871 572433123 /nfs/dbraw/zinc/43/31/23/572433123.db2.gz UUVKQWHYNAQQJX-RAIGVLPGSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[NH2+]C[C@H]1C[C@]1(C)C1(C)CC1 87367502 572433134 /nfs/dbraw/zinc/43/31/34/572433134.db2.gz ZLYLQWVOTOBORM-YPMHNXCESA-N 1 0 195.350 3.058 10 0 AGAERO CC[NH2+][C@@H](C)C[C@@H]1CC=C(C)C1(C)C 238238886 572433424 /nfs/dbraw/zinc/43/34/24/572433424.db2.gz KTAMDYHKNHCTPI-RYUDHWBXSA-N 1 0 195.350 3.367 10 0 AGAERO CCC(CC)[C@@H](C)[NH2+]CC1CCC1 83838772 572433506 /nfs/dbraw/zinc/43/35/06/572433506.db2.gz LJDRERPXZNKSRR-SNVBAGLBSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)(C)[NH2+]C[C@H]1C[C@@]1(C)C1(C)CC1 87367489 572433646 /nfs/dbraw/zinc/43/36/46/572433646.db2.gz SCKZFVVPNPFFOO-ZWNOBZJWSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+][C@H](CC1CCC1)c1cccs1 83840977 572433933 /nfs/dbraw/zinc/43/39/33/572433933.db2.gz ZZKZLWBILYFNLB-SNVBAGLBSA-N 1 0 195.331 3.199 10 0 AGAERO CCCC(=[NH2+])N[C@@H](C)C[C@@H](C)CC 83868201 572434023 /nfs/dbraw/zinc/43/40/23/572434023.db2.gz IURQPLSXCWUVEC-UWVGGRQHSA-N 1 0 184.327 3.178 10 0 AGAERO C1=C(CC[NH2+]CC2CCC2)CCCC1 83838665 572434125 /nfs/dbraw/zinc/43/41/25/572434125.db2.gz PWRWPTWTCLHYPB-UHFFFAOYSA-N 1 0 193.334 3.267 10 0 AGAERO CCCC(=[NH2+])N[C@H](C)C[C@@H](C)CC 83868204 572434304 /nfs/dbraw/zinc/43/43/04/572434304.db2.gz IURQPLSXCWUVEC-VHSXEESVSA-N 1 0 184.327 3.178 10 0 AGAERO C[NH2+][C@@H](CC1CCC1)c1cccs1 83840976 572434378 /nfs/dbraw/zinc/43/43/78/572434378.db2.gz ZZKZLWBILYFNLB-JTQLQIEISA-N 1 0 195.331 3.199 10 0 AGAERO CCC(CC)[C@H](C)[NH2+]CC1CCC1 83838774 572435251 /nfs/dbraw/zinc/43/52/51/572435251.db2.gz LJDRERPXZNKSRR-JTQLQIEISA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)C(C)(C)C[C@@H]([NH3+])[C@H]1CC1(C)C 713247629 572435706 /nfs/dbraw/zinc/43/57/06/572435706.db2.gz JVZXOZJMHPFLQS-GHMZBOCLSA-N 1 0 197.366 3.432 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+]CC2CCC2)[C@@H]1C 83838865 572435780 /nfs/dbraw/zinc/43/57/80/572435780.db2.gz UUVKQWHYNAQQJX-RTXFEEFZSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@H](C)C[C@@H](C)NC(=[NH2+])C(C)C 83868223 572435897 /nfs/dbraw/zinc/43/58/97/572435897.db2.gz LTNYVNZOGPHXIK-NXEZZACHSA-N 1 0 184.327 3.034 10 0 AGAERO CCC(CC)[NH2+]C1(C)CCCC1 88390223 572435941 /nfs/dbraw/zinc/43/59/41/572435941.db2.gz MHRIVMCCBOQFTI-UHFFFAOYSA-N 1 0 169.312 3.097 10 0 AGAERO CC[NH2+][C@@H](C)C[C@H]1CC=C(C)C1(C)C 238239340 572436102 /nfs/dbraw/zinc/43/61/02/572436102.db2.gz KTAMDYHKNHCTPI-NWDGAFQWSA-N 1 0 195.350 3.367 10 0 AGAERO CCCC1(CC(C)(C)CC)C[NH2+]C1 713248660 572436167 /nfs/dbraw/zinc/43/61/67/572436167.db2.gz AAUNBHOZUMWNDB-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO CC(C)(C)CC1(C2CCCC2)C[NH2+]C1 713248683 572436565 /nfs/dbraw/zinc/43/65/65/572436565.db2.gz ABPCJKKGEMWHKJ-UHFFFAOYSA-N 1 0 195.350 3.202 10 0 AGAERO CC[C@H](C)C[C@@H](C)NC(=[NH2+])C(C)C 83868225 572436632 /nfs/dbraw/zinc/43/66/32/572436632.db2.gz LTNYVNZOGPHXIK-VHSXEESVSA-N 1 0 184.327 3.034 10 0 AGAERO CCCC[C@@H](c1ccccc1)[C@H](C)[NH3+] 238239040 572436682 /nfs/dbraw/zinc/43/66/82/572436682.db2.gz ZFICAUZIQHJIIP-WCQYABFASA-N 1 0 191.318 3.308 10 0 AGAERO CCC([NH3+])(CC)c1cccc(C)c1C 53328662 572437001 /nfs/dbraw/zinc/43/70/01/572437001.db2.gz UKQCHPOYEMXLQE-UHFFFAOYSA-N 1 0 191.318 3.277 10 0 AGAERO C[NH2+][C@H](c1cccc(C)c1C)C(C)C 53329703 572437525 /nfs/dbraw/zinc/43/75/25/572437525.db2.gz GBCQQTZVRZSTMS-ZDUSSCGKSA-N 1 0 191.318 3.220 10 0 AGAERO C[NH2+][C@H](C1CCC1)C1(C)CCCCC1 234443666 572437875 /nfs/dbraw/zinc/43/78/75/572437875.db2.gz WOALRWDJSTXSOL-GFCCVEGCSA-N 1 0 195.350 3.345 10 0 AGAERO C[NH2+][C@@H](c1cccc(C)c1C)C(C)C 53329701 572438042 /nfs/dbraw/zinc/43/80/42/572438042.db2.gz GBCQQTZVRZSTMS-CYBMUJFWSA-N 1 0 191.318 3.220 10 0 AGAERO C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC1CC1 83893328 572439705 /nfs/dbraw/zinc/43/97/05/572439705.db2.gz PJTOLAGLLPGSTC-NTZNESFSSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)(C)C[C@H]1[C@H](C[NH3+])C12CCCC2 76636717 572438250 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/nfs/dbraw/zinc/43/91/84/572439184.db2.gz TYLFRZDNASOIMW-ZETCQYMHSA-N 1 0 197.244 3.092 10 0 AGAERO [NH3+]C[C@@H]1CCCC2(CCCCCC2)C1 76636740 572439226 /nfs/dbraw/zinc/43/92/26/572439226.db2.gz NCZSWBVYSVPJSZ-GFCCVEGCSA-N 1 0 195.350 3.476 10 0 AGAERO CC[C@H](C)C[C@@H](C)NC(=[NH2+])C(C)(C)C 83868236 572439324 /nfs/dbraw/zinc/43/93/24/572439324.db2.gz XPKFKENABMDCGN-VHSXEESVSA-N 1 0 198.354 3.424 10 0 AGAERO CC(C)C[C@@H]1[C@@H](C[NH3+])C12CCCCC2 76636712 572440616 /nfs/dbraw/zinc/44/06/16/572440616.db2.gz KZAONKYNIVDRFG-VXGBXAGGSA-N 1 0 195.350 3.188 10 0 AGAERO Cc1ccc(C)c2c([C@@H](C)[NH3+])cccc12 238803022 572439730 /nfs/dbraw/zinc/43/97/30/572439730.db2.gz UUNJQFCVEMNKMZ-LLVKDONJSA-N 1 0 199.297 3.476 10 0 AGAERO CC1(C)CC[C@H]2[NH2+]CCC(C)(C)[C@H]2C1 76636732 572439895 /nfs/dbraw/zinc/43/98/95/572439895.db2.gz AYNVKLBNSTWMOM-WDEREUQCSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[C@H]1[C@@H](C[NH3+])C12CCCCC2 76636714 572440036 /nfs/dbraw/zinc/44/00/36/572440036.db2.gz KZAONKYNIVDRFG-NWDGAFQWSA-N 1 0 195.350 3.188 10 0 AGAERO CC[C@H]([NH2+]CCC1CC1)c1ccco1 83893309 572440121 /nfs/dbraw/zinc/44/01/21/572440121.db2.gz URGSJSBLAMARER-NSHDSACASA-N 1 0 193.290 3.120 10 0 AGAERO CC(C)C[C@@]1(C[NH3+])CC12CCCCC2 76636724 572440154 /nfs/dbraw/zinc/44/01/54/572440154.db2.gz KIUTWLNWMCKFCX-ZDUSSCGKSA-N 1 0 195.350 3.332 10 0 AGAERO CC(C)(C)C[C@@H]1[C@H](C[NH3+])C12CCCC2 76636716 572440338 /nfs/dbraw/zinc/44/03/38/572440338.db2.gz CWUHMSPLNSHJEZ-MNOVXSKESA-N 1 0 195.350 3.188 10 0 AGAERO CC[NH2+]CC[C@@H]1CC[C@H](C)C1(C)C 238240606 572440383 /nfs/dbraw/zinc/44/03/83/572440383.db2.gz SOTRPUOIDTZLQP-QWRGUYRKSA-N 1 0 183.339 3.058 10 0 AGAERO CC1(C)CC[C@H]2[NH2+]CCC(C)(C)[C@@H]2C1 76636729 572440442 /nfs/dbraw/zinc/44/04/42/572440442.db2.gz AYNVKLBNSTWMOM-GHMZBOCLSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[C@@H]1[C@H](C[NH3+])C12CCCCC2 76636709 572440448 /nfs/dbraw/zinc/44/04/48/572440448.db2.gz KZAONKYNIVDRFG-NEPJUHHUSA-N 1 0 195.350 3.188 10 0 AGAERO 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AGAERO CC(C)(C)C[C@H](C[NH3+])c1cccs1 74238719 572445198 /nfs/dbraw/zinc/44/51/98/572445198.db2.gz IJRCGQZKDCJOCG-SECBINFHSA-N 1 0 197.347 3.227 10 0 AGAERO C[C@H](C[NH3+])C1CCC(C(C)(C)C)CC1 74238712 572446614 /nfs/dbraw/zinc/44/66/14/572446614.db2.gz QVNGRFVDJLANML-VOMCLLRMSA-N 1 0 197.366 3.434 10 0 AGAERO CC[C@@H](C)C[C@@H](C)N1CCCCC1=[NH2+] 83865168 572446858 /nfs/dbraw/zinc/44/68/58/572446858.db2.gz XFQFAUXCCNGVDY-GHMZBOCLSA-N 1 0 196.338 3.274 10 0 AGAERO CCCC[NH2+][C@H](C)C[C@@H](C)CC 83863820 572446904 /nfs/dbraw/zinc/44/69/04/572446904.db2.gz ZMQJWLFBLKHELA-WDEREUQCSA-N 1 0 171.328 3.201 10 0 AGAERO C[C@@H](c1ccc(Cl)cc1)C(C)(C)[NH3+] 74238630 572446926 /nfs/dbraw/zinc/44/69/26/572446926.db2.gz SEUZVEMPIVJTFI-QMMMGPOBSA-N 1 0 197.709 3.181 10 0 AGAERO CC(C)CC[C@H](C[NH3+])c1cccs1 74238723 572447003 /nfs/dbraw/zinc/44/70/03/572447003.db2.gz FZPPMWDHOVEOHW-SNVBAGLBSA-N 1 0 197.347 3.227 10 0 AGAERO CCCC[NH2+][C@H](C)C[C@H](C)CC 83863822 572447066 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10 0 AGAERO CC[C@H](C)C[C@H](C)[NH2+]CC(C)(C)C 83863862 572447656 /nfs/dbraw/zinc/44/76/56/572447656.db2.gz PXVZWIXTRZGUSR-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@H](C)C[C@@H](C)Nc1cc[nH+]cc1 83865307 572447765 /nfs/dbraw/zinc/44/77/65/572447765.db2.gz SYDSNOPALIGCKL-WDEREUQCSA-N 1 0 192.306 3.318 10 0 AGAERO Cc1cc(C)c(/C=C\[NH+](C)C)c(C)c1 207206402 572447792 /nfs/dbraw/zinc/44/77/92/572447792.db2.gz FJQCWGJIWAIFQY-SREVYHEPSA-N 1 0 189.302 3.144 10 0 AGAERO CC(C)(C)C[C@@H](C[NH3+])c1cccs1 74238717 572447867 /nfs/dbraw/zinc/44/78/67/572447867.db2.gz IJRCGQZKDCJOCG-VIFPVBQESA-N 1 0 197.347 3.227 10 0 AGAERO CC(C)CC[C@@H](C[NH3+])c1cccs1 74238722 572447932 /nfs/dbraw/zinc/44/79/32/572447932.db2.gz FZPPMWDHOVEOHW-JTQLQIEISA-N 1 0 197.347 3.227 10 0 AGAERO CC[C@@H](C)C[C@H](C)Nc1cc[nH+]cc1 83865308 572447933 /nfs/dbraw/zinc/44/79/33/572447933.db2.gz SYDSNOPALIGCKL-MNOVXSKESA-N 1 0 192.306 3.318 10 0 AGAERO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccoc1 83864054 572448213 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183.339 3.057 10 0 AGAERO C[NH2+][C@H](C(C)C)[C@@H]1CC(C)(C)C[C@@H]1C 234459749 572498966 /nfs/dbraw/zinc/49/89/66/572498966.db2.gz PROZCPNWEOFKSV-QJPTWQEYSA-N 1 0 197.366 3.303 10 0 AGAERO CC[C@@H]([NH3+])CCC(C)(C)C(C)C 713265048 572498978 /nfs/dbraw/zinc/49/89/78/572498978.db2.gz BALMVWPTLYWSIY-SNVBAGLBSA-N 1 0 171.328 3.186 10 0 AGAERO Cc1coc([C@@H]([NH3+])CC2CCCC2)c1 74247748 572499415 /nfs/dbraw/zinc/49/94/15/572499415.db2.gz TYDLIRNUAVRFJL-NSHDSACASA-N 1 0 193.290 3.168 10 0 AGAERO CC[C@H](C[C@H]1CC[C@@H](C)C1(C)C)[NH2+]C 238271924 572501480 /nfs/dbraw/zinc/50/14/80/572501480.db2.gz WVSYGSGHBOVYBO-IJLUTSLNSA-N 1 0 197.366 3.447 10 0 AGAERO CC1CCC([C@H]([NH3+])C2CCCC2)CC1 44983680 572499598 /nfs/dbraw/zinc/49/95/98/572499598.db2.gz BHVBXMRXOUDTDU-KGPNIALWSA-N 1 0 195.350 3.330 10 0 AGAERO C[NH2+][C@H](C(C)C)C1(C)CCCCC1 234458971 572499760 /nfs/dbraw/zinc/49/97/60/572499760.db2.gz WFPOBCWAIORTFG-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@@H]1CCC[C@@H]([C@H]([NH3+])C2CCCC2)C1 44980760 572500107 /nfs/dbraw/zinc/50/01/07/572500107.db2.gz ANEAUJXXXAGQNN-RAIGVLPGSA-N 1 0 195.350 3.330 10 0 AGAERO CC[C@@H]1C[C@H]1C[NH2+]CC(C)(C)C(C)C 713266922 572500145 /nfs/dbraw/zinc/50/01/45/572500145.db2.gz XHNDYKQHNDDCFB-NEPJUHHUSA-N 1 0 197.366 3.304 10 0 AGAERO CC(C)C[C@H]([NH3+])C1CCC(C)CC1 44983689 572500269 /nfs/dbraw/zinc/50/02/69/572500269.db2.gz CQQQRRAROOCRKV-MCIGGMRASA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H]1C[C@H]1C[NH2+]CC(C)(C)C(C)C 713266926 572500301 /nfs/dbraw/zinc/50/03/01/572500301.db2.gz XHNDYKQHNDDCFB-RYUDHWBXSA-N 1 0 197.366 3.304 10 0 AGAERO C[C@@H]1CCC[C@H]([C@H]([NH3+])C2CCCC2)C1 44980754 572500648 /nfs/dbraw/zinc/50/06/48/572500648.db2.gz ANEAUJXXXAGQNN-KGYLQXTDSA-N 1 0 195.350 3.330 10 0 AGAERO Cc1coc([C@H]([NH3+])CC2CCCC2)c1 74247747 572500812 /nfs/dbraw/zinc/50/08/12/572500812.db2.gz TYDLIRNUAVRFJL-LLVKDONJSA-N 1 0 193.290 3.168 10 0 AGAERO CC[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)C(C)C 713266929 572501473 /nfs/dbraw/zinc/50/14/73/572501473.db2.gz XHNDYKQHNDDCFB-VXGBXAGGSA-N 1 0 197.366 3.304 10 0 AGAERO CC1([NH2+]CC2CCCC2)CCCCC1 45045227 572502334 /nfs/dbraw/zinc/50/23/34/572502334.db2.gz ATXIAVJMAFVSLY-UHFFFAOYSA-N 1 0 195.350 3.489 10 0 AGAERO CC[C@H]1CCCC[C@@H]1C[C@@H](C)C[NH3+] 84128292 572502721 /nfs/dbraw/zinc/50/27/21/572502721.db2.gz NDQZRBIQCSAMQH-GRYCIOLGSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@H](C[C@H]1CC=C(C)C1(C)C)[NH2+]C 238271850 572503639 /nfs/dbraw/zinc/50/36/39/572503639.db2.gz PGCAKZAJVCUDSU-VXGBXAGGSA-N 1 0 195.350 3.367 10 0 AGAERO C[C@H]([NH2+]C1(C)CCCCC1)C1(C)CC1 45042643 572503936 /nfs/dbraw/zinc/50/39/36/572503936.db2.gz AJSODSXNLKHAFL-NSHDSACASA-N 1 0 195.350 3.487 10 0 AGAERO CCCCc1cccc([C@@H]2CC[NH2+]2)c1 238273344 572504055 /nfs/dbraw/zinc/50/40/55/572504055.db2.gz QQUCGTQECRCZFQ-ZDUSSCGKSA-N 1 0 189.302 3.064 10 0 AGAERO CCCCc1cccc([C@H]2CC[NH2+]2)c1 238273407 572504203 /nfs/dbraw/zinc/50/42/03/572504203.db2.gz QQUCGTQECRCZFQ-CYBMUJFWSA-N 1 0 189.302 3.064 10 0 AGAERO CCCC[C@](C)(F)CCCC[NH3+] 308044657 572504589 /nfs/dbraw/zinc/50/45/89/572504589.db2.gz OXBGADRMSRPJII-JTQLQIEISA-N 1 0 175.291 3.034 10 0 AGAERO CCC[C@@H]1[NH2+]C[C@H](CC)C[C@@H]1CC 238277850 572504930 /nfs/dbraw/zinc/50/49/30/572504930.db2.gz HDNXKJANWJWKKO-WOPDTQHZSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H]1[NH2+]Cc2cc3ccccc3cc21 238277470 572504925 /nfs/dbraw/zinc/50/49/25/572504925.db2.gz ZJOMTUXPELVXGO-AWEZNQCLSA-N 1 0 197.281 3.394 10 0 AGAERO CCC[C@H](CC(C)C)[C@@H](C)[NH2+]C 308044346 572505273 /nfs/dbraw/zinc/50/52/73/572505273.db2.gz FHQWILAQSYKEPS-GHMZBOCLSA-N 1 0 171.328 3.057 10 0 AGAERO CC[NH2+]C[C@H]1C[C@@H]1CC1CCCCC1 87474220 572505575 /nfs/dbraw/zinc/50/55/75/572505575.db2.gz DFOFPPCPOWYTDM-QWHCGFSZSA-N 1 0 195.350 3.202 10 0 AGAERO CC[NH2+]C[C@H]1C[C@H]1CC1CCCCC1 87474224 572506003 /nfs/dbraw/zinc/50/60/03/572506003.db2.gz DFOFPPCPOWYTDM-CHWSQXEVSA-N 1 0 195.350 3.202 10 0 AGAERO CCC[C@@H](CC(C)C)[C@@H](C)[NH2+]C 308044348 572506070 /nfs/dbraw/zinc/50/60/70/572506070.db2.gz FHQWILAQSYKEPS-MNOVXSKESA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@H](CC(C)C)[C@H](C)[NH2+]C 308044351 572506518 /nfs/dbraw/zinc/50/65/18/572506518.db2.gz FHQWILAQSYKEPS-WDEREUQCSA-N 1 0 171.328 3.057 10 0 AGAERO CC[NH2+]C[C@@H]1C[C@@H]1CC1CCCCC1 87474218 572506579 /nfs/dbraw/zinc/50/65/79/572506579.db2.gz DFOFPPCPOWYTDM-STQMWFEESA-N 1 0 195.350 3.202 10 0 AGAERO C[C@@]1(c2cccc3ccccc23)CC[NH2+]1 84178851 572506824 /nfs/dbraw/zinc/50/68/24/572506824.db2.gz WHJWGAKKMUPOEX-AWEZNQCLSA-N 1 0 197.281 3.048 10 0 AGAERO Cc1cc(C)cc([C@H](C)C(C)(C)[NH3+])c1 74271191 572510903 /nfs/dbraw/zinc/51/09/03/572510903.db2.gz NZHIOSCSDZMYPK-NSHDSACASA-N 1 0 191.318 3.144 10 0 AGAERO CC[NH2+]C[C@@H]1C[C@H]1CC1CCCCC1 87474222 572507433 /nfs/dbraw/zinc/50/74/33/572507433.db2.gz DFOFPPCPOWYTDM-OLZOCXBDSA-N 1 0 195.350 3.202 10 0 AGAERO Cc1ccc(F)cc1C[NH2+]C(C)(C)C 62665601 572508098 /nfs/dbraw/zinc/50/80/98/572508098.db2.gz GJUOHZDWDKPMTO-UHFFFAOYSA-N 1 0 195.281 3.022 10 0 AGAERO CC1(C)C[C@@H]1[NH2+]CCC1CCCCC1 87473386 572508131 /nfs/dbraw/zinc/50/81/31/572508131.db2.gz DLFRMPOSWFZMCU-LBPRGKRZSA-N 1 0 195.350 3.345 10 0 AGAERO C[C@]1(c2cccc3ccccc23)CC[NH2+]1 84178850 572508539 /nfs/dbraw/zinc/50/85/39/572508539.db2.gz WHJWGAKKMUPOEX-CQSZACIVSA-N 1 0 197.281 3.048 10 0 AGAERO C[C@]1(c2ccc3ccccc3c2)CC[NH2+]1 84179066 572509062 /nfs/dbraw/zinc/50/90/62/572509062.db2.gz JNGVQLKPHAULFK-CQSZACIVSA-N 1 0 197.281 3.048 10 0 AGAERO CC[C@H](C)/C=C(/C[NH3+])C1CCCCC1 87475007 572509582 /nfs/dbraw/zinc/50/95/82/572509582.db2.gz RVJHFSYWEGYORB-KWJWQAOWSA-N 1 0 195.350 3.498 10 0 AGAERO Cc1ccccc1[C@@H](C(C)C)[C@H](C)[NH3+] 74271197 572509714 /nfs/dbraw/zinc/50/97/14/572509714.db2.gz LDJIYFGIKGTDGJ-AAEUAGOBSA-N 1 0 191.318 3.082 10 0 AGAERO CCC[C@@H]1[NH2+]CC(CC)=C[C@@H]1CC 238277346 572509833 /nfs/dbraw/zinc/50/98/33/572509833.db2.gz XRVYCNXFLIAHPM-RYUDHWBXSA-N 1 0 181.323 3.121 10 0 AGAERO C[NH2+]C/C(=C/C1CC1)C1CCCCC1 87475050 572510153 /nfs/dbraw/zinc/51/01/53/572510153.db2.gz SYWJFLBYJSYUCG-LCYFTJDESA-N 1 0 193.334 3.123 10 0 AGAERO Cc1ccc([C@H](C)C(C)(C)[NH3+])cc1C 74271187 572510482 /nfs/dbraw/zinc/51/04/82/572510482.db2.gz MADZYVRRRDXREO-NSHDSACASA-N 1 0 191.318 3.144 10 0 AGAERO Cc1ccccc1[C@H](C(C)C)[C@@H](C)[NH3+] 74271196 572510523 /nfs/dbraw/zinc/51/05/23/572510523.db2.gz LDJIYFGIKGTDGJ-DGCLKSJQSA-N 1 0 191.318 3.082 10 0 AGAERO CC[C@@H](c1ccc(C)cc1)[C@H](C)C[NH3+] 74271239 572510565 /nfs/dbraw/zinc/51/05/65/572510565.db2.gz JVXPPLQEKHEZLE-DGCLKSJQSA-N 1 0 191.318 3.083 10 0 AGAERO CC[C@H](c1ccc(C)cc1C)[C@@H](C)[NH3+] 74271163 572510579 /nfs/dbraw/zinc/51/05/79/572510579.db2.gz MBHOSRFGJJFEQW-NEPJUHHUSA-N 1 0 191.318 3.144 10 0 AGAERO CC[C@H](c1ccc(C)cc1)[C@@H](C)C[NH3+] 74271236 572510805 /nfs/dbraw/zinc/51/08/05/572510805.db2.gz JVXPPLQEKHEZLE-AAEUAGOBSA-N 1 0 191.318 3.083 10 0 AGAERO C[NH2+]C/C(=C/C(C)C)C1CCCCC1 87475052 572510839 /nfs/dbraw/zinc/51/08/39/572510839.db2.gz BFVOLPZEDAYDTM-LCYFTJDESA-N 1 0 195.350 3.369 10 0 AGAERO CC(C)(C)[C@@H]([NH3+])C/C=C\[Si](C)(C)C 308046111 572511179 /nfs/dbraw/zinc/51/11/79/572511179.db2.gz BJOAPARDKRTVNH-RNKPRXRFSA-N 1 0 199.414 3.184 10 0 AGAERO CC[C@H](c1ccc(C)cc1)[C@H](C)C[NH3+] 74271242 572511194 /nfs/dbraw/zinc/51/11/94/572511194.db2.gz JVXPPLQEKHEZLE-YPMHNXCESA-N 1 0 191.318 3.083 10 0 AGAERO CC[C@@H](C)/C=C(/C[NH3+])C1CCCCC1 87475004 572511201 /nfs/dbraw/zinc/51/12/01/572511201.db2.gz RVJHFSYWEGYORB-NASPGAHYSA-N 1 0 195.350 3.498 10 0 AGAERO CC[C@@H](c1ccc(C)cc1C)[C@@H](C)[NH3+] 74271162 572511353 /nfs/dbraw/zinc/51/13/53/572511353.db2.gz MBHOSRFGJJFEQW-VXGBXAGGSA-N 1 0 191.318 3.144 10 0 AGAERO CCC[C@@H]1[NH2+]CC(CC)=C[C@H]1CC 238277354 572511397 /nfs/dbraw/zinc/51/13/97/572511397.db2.gz XRVYCNXFLIAHPM-NEPJUHHUSA-N 1 0 181.323 3.121 10 0 AGAERO Cc1ccccc1[C@@H](C(C)C)[C@@H](C)[NH3+] 74271193 572511525 /nfs/dbraw/zinc/51/15/25/572511525.db2.gz LDJIYFGIKGTDGJ-YPMHNXCESA-N 1 0 191.318 3.082 10 0 AGAERO Cc1ccc([C@@H](C)C(C)(C)[NH3+])cc1C 74271184 572511629 /nfs/dbraw/zinc/51/16/29/572511629.db2.gz MADZYVRRRDXREO-LLVKDONJSA-N 1 0 191.318 3.144 10 0 AGAERO CC[C@H](c1ccc(C)cc1C)[C@H](C)[NH3+] 74271166 572512132 /nfs/dbraw/zinc/51/21/32/572512132.db2.gz MBHOSRFGJJFEQW-RYUDHWBXSA-N 1 0 191.318 3.144 10 0 AGAERO CCCC[C@@](C)(F)CCCC[NH3+] 308044662 572512461 /nfs/dbraw/zinc/51/24/61/572512461.db2.gz OXBGADRMSRPJII-SNVBAGLBSA-N 1 0 175.291 3.034 10 0 AGAERO CC[C@H](C)[C@@H](C)[N@H+](C)[C@H](C)CC 308051100 572515515 /nfs/dbraw/zinc/51/55/15/572515515.db2.gz SATPGNACISEYHO-HBNTYKKESA-N 1 0 171.328 3.151 10 0 AGAERO CC(C)(C)[C@H]([NH3+])C/C=C\[Si](C)(C)C 308046113 572513305 /nfs/dbraw/zinc/51/33/05/572513305.db2.gz BJOAPARDKRTVNH-UJICNMFASA-N 1 0 199.414 3.184 10 0 AGAERO C/C=C/C[N@@H+](C)[C@H](C)CCCC 308047201 572514532 /nfs/dbraw/zinc/51/45/32/572514532.db2.gz PZGMYTGOKLEDEU-LXSSAFMLSA-N 1 0 169.312 3.073 10 0 AGAERO C/C=C\C[N@@H+](C)[C@@H](C)CCCC 308047200 572514707 /nfs/dbraw/zinc/51/47/07/572514707.db2.gz PZGMYTGOKLEDEU-JYKYSHPRSA-N 1 0 169.312 3.073 10 0 AGAERO CCC/C=C\CC[N@H+](C)CCC 308051655 572514858 /nfs/dbraw/zinc/51/48/58/572514858.db2.gz SHLVOXFARGRINY-FPLPWBNLSA-N 1 0 169.312 3.075 10 0 AGAERO CC1([NH2+]Cc2ccoc2)CCCCC1 62815783 572515544 /nfs/dbraw/zinc/51/55/44/572515544.db2.gz CJKRUBHVWUMYHV-UHFFFAOYSA-N 1 0 193.290 3.092 10 0 AGAERO C/C=C/C[N@@H+](C)[C@@H](C)CCCC 308047199 572515582 /nfs/dbraw/zinc/51/55/82/572515582.db2.gz PZGMYTGOKLEDEU-IOCXFXADSA-N 1 0 169.312 3.073 10 0 AGAERO CC(C)(C)[C@@H]1CC[C@@H]2CCC[NH2+][C@H]2C1 250681013 572515655 /nfs/dbraw/zinc/51/56/55/572515655.db2.gz DMRCSHMBUCTSPF-TUAOUCFPSA-N 1 0 195.350 3.201 10 0 AGAERO CCC/C=C/CC[N@H+](C)CCC 308051654 572515939 /nfs/dbraw/zinc/51/59/39/572515939.db2.gz SHLVOXFARGRINY-BQYQJAHWSA-N 1 0 169.312 3.075 10 0 AGAERO C/C=C\C[N@@H+](C)[C@H](C)CCCC 308047198 572516304 /nfs/dbraw/zinc/51/63/04/572516304.db2.gz PZGMYTGOKLEDEU-BPOWMSRESA-N 1 0 169.312 3.073 10 0 AGAERO CC(C)(C)[C@@H]1CC[C@H]2CCC[NH2+][C@H]2C1 250681018 572516964 /nfs/dbraw/zinc/51/69/64/572516964.db2.gz 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DPDVBQCWOPFJEO-MNOVXSKESA-N 1 0 196.338 3.178 10 0 AGAERO CCC(=[NH2+])N1CCC[C@H]1C1CCCC1 62991981 572523544 /nfs/dbraw/zinc/52/35/44/572523544.db2.gz WXPKJLQPWCLXKS-NSHDSACASA-N 1 0 194.322 3.028 10 0 AGAERO CC[C@H](C)[C@@H](C)[N@H+](C)[C@@H](C)CC 308051095 572524047 /nfs/dbraw/zinc/52/40/47/572524047.db2.gz SATPGNACISEYHO-GARJFASQSA-N 1 0 171.328 3.151 10 0 AGAERO CCCC(=[NH2+])NC1(C)CCCCC1 62992465 572524116 /nfs/dbraw/zinc/52/41/16/572524116.db2.gz CABFSWLDCHRSPM-UHFFFAOYSA-N 1 0 182.311 3.076 10 0 AGAERO CC(C)C(=[NH2+])N(C)[C@H]1CCCC[C@@H]1C 62992995 572524194 /nfs/dbraw/zinc/52/41/94/572524194.db2.gz ZAAICRVMJOLDHA-QWRGUYRKSA-N 1 0 196.338 3.130 10 0 AGAERO CC1(C)CCN(C(=[NH2+])C(C)(C)C)CC1 62994047 572524643 /nfs/dbraw/zinc/52/46/43/572524643.db2.gz UVGZQDLDCYIWLR-UHFFFAOYSA-N 1 0 196.338 3.132 10 0 AGAERO CC(C)C(=[NH2+])NC[C@H]1CCCC[C@@H]1C 62991510 572524738 /nfs/dbraw/zinc/52/47/38/572524738.db2.gz FICVLYIAGWSJPU-WDEREUQCSA-N 1 0 196.338 3.036 10 0 AGAERO 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195.306 3.352 10 0 AGAERO CC[NH2+]C/C(C)=C\[C@@H](C)CC(C)C 308069800 572597911 /nfs/dbraw/zinc/59/79/11/572597911.db2.gz OVLDSSHXVRNKBK-LCFDYFRESA-N 1 0 183.339 3.224 10 0 AGAERO CCCC[C@]1(CC)[NH2+]C[C@H](C)S1 87603003 572598095 /nfs/dbraw/zinc/59/80/95/572598095.db2.gz RKKGDFLHGOTYCG-VHSXEESVSA-N 1 0 187.352 3.008 10 0 AGAERO CC[C@H](CC(C)C)[C@H]([NH3+])c1ccco1 308070026 572598338 /nfs/dbraw/zinc/59/83/38/572598338.db2.gz JKHOCASMVDMSCP-PWSUYJOCSA-N 1 0 195.306 3.352 10 0 AGAERO CCCC1(CCC)[NH2+]C[C@H](C)S1 87602975 572598399 /nfs/dbraw/zinc/59/83/99/572598399.db2.gz MIUXZAVDXBUFMV-VIFPVBQESA-N 1 0 187.352 3.008 10 0 AGAERO CCCC1(CCC)[NH2+]C[C@@H](C)S1 87602976 572598995 /nfs/dbraw/zinc/59/89/95/572598995.db2.gz MIUXZAVDXBUFMV-SECBINFHSA-N 1 0 187.352 3.008 10 0 AGAERO CCCC[C@]1(CC)[NH2+]CCCS1 87603853 572599066 /nfs/dbraw/zinc/59/90/66/572599066.db2.gz UDWUPIVWZCJYGG-SNVBAGLBSA-N 1 0 187.352 3.009 10 0 AGAERO CCCC[C@@]1(CC)[NH2+][C@@H](C)CS1 87603521 572599099 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183.339 3.332 10 0 AGAERO CC(C)C[C@@H]([NH3+])C[C@@H](C)C(C)C 308080032 572621927 /nfs/dbraw/zinc/62/19/27/572621927.db2.gz IEVMEXNXWIWSAN-GHMZBOCLSA-N 1 0 171.328 3.042 10 0 AGAERO CCCC[C@@H](CC)CC1(C[NH3+])CC1 85033833 572622113 /nfs/dbraw/zinc/62/21/13/572622113.db2.gz HGBNNACWTBTMFO-LLVKDONJSA-N 1 0 183.339 3.332 10 0 AGAERO CC[C@@H](CC(C)C)[C@@H]([NH3+])C1CCC1 308079484 572622635 /nfs/dbraw/zinc/62/26/35/572622635.db2.gz YSLDZRMVQAGFHO-CMPLNLGQSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H](CC(C)C)[C@@H]([NH3+])C1CCC1 308079489 572622663 /nfs/dbraw/zinc/62/26/63/572622663.db2.gz YSLDZRMVQAGFHO-ZYHUDNBSSA-N 1 0 183.339 3.186 10 0 AGAERO CCC[NH2+]CC1(CC2CCCC2)CC1 85034816 572622861 /nfs/dbraw/zinc/62/28/61/572622861.db2.gz BLLOXUIXGYKJJE-UHFFFAOYSA-N 1 0 195.350 3.347 10 0 AGAERO CC[C@@H](C)CC1(C[NH2+]C(C)C)CC1 85035057 572622933 /nfs/dbraw/zinc/62/29/33/572622933.db2.gz MBNZRIHSTXGBAT-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@H](C)CC1(C[NH2+]CC)CC1 85034461 572622939 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CC(C)CCC1(C[NH2+]CC(C)C)CC1 85035601 572624881 /nfs/dbraw/zinc/62/48/81/572624881.db2.gz FIWQBGVXLUPCLB-UHFFFAOYSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@@H](C)CC1(C[NH2+]CC)CC1 85034459 572624988 /nfs/dbraw/zinc/62/49/88/572624988.db2.gz JTQRRNQMDZUMDX-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@@H](C)CC1(C[NH2+]CC(C)C)CC1 85035567 572625013 /nfs/dbraw/zinc/62/50/13/572625013.db2.gz SQYJIEXCLVIIEG-GFCCVEGCSA-N 1 0 197.366 3.448 10 0 AGAERO C1CCC(CC2(C[NH2+]C3CC3)CC2)C1 85035227 572625051 /nfs/dbraw/zinc/62/50/51/572625051.db2.gz AJUOSLRWFQVOHQ-UHFFFAOYSA-N 1 0 193.334 3.099 10 0 AGAERO CCCCC1(C[NH2+]CC(C)C)CC1 85035620 572625099 /nfs/dbraw/zinc/62/50/99/572625099.db2.gz UCOGNJVFSBVVGX-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO CCCCCC1(C[NH2+]C(C)C)CC1 85035175 572625197 /nfs/dbraw/zinc/62/51/97/572625197.db2.gz JNVWRMFRAFLQSQ-UHFFFAOYSA-N 1 0 183.339 3.345 10 0 AGAERO CC[NH2+]CC1(CCC(C)(C)C)CC1 85034525 572625238 /nfs/dbraw/zinc/62/52/38/572625238.db2.gz XFWCOJXDMOTAQN-UHFFFAOYSA-N 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3.026 10 0 AGAERO CCCCC[C@@]1(C)[NH2+]C[C@H](C)S1 87649616 572642852 /nfs/dbraw/zinc/64/28/52/572642852.db2.gz OIZLNUYECRIBBZ-UWVGGRQHSA-N 1 0 187.352 3.008 10 0 AGAERO CCCCC[C@@]1(C)[NH2+]C[C@@H](C)S1 87649618 572642985 /nfs/dbraw/zinc/64/29/85/572642985.db2.gz OIZLNUYECRIBBZ-ZJUUUORDSA-N 1 0 187.352 3.008 10 0 AGAERO CCCCC[C@]1(C)[NH2+]C[C@H](C)S1 87649615 572643055 /nfs/dbraw/zinc/64/30/55/572643055.db2.gz OIZLNUYECRIBBZ-VHSXEESVSA-N 1 0 187.352 3.008 10 0 AGAERO CCCCC[C@@H](C)[C@@H]([NH3+])C(C)C 87649357 572643324 /nfs/dbraw/zinc/64/33/24/572643324.db2.gz UWGKKZHAHSJAPP-MNOVXSKESA-N 1 0 171.328 3.186 10 0 AGAERO CCCCC[C@H](C)[C@H]([NH2+]C)C(C)C 87649360 572643557 /nfs/dbraw/zinc/64/35/57/572643557.db2.gz IYELWGZEVYJCSR-NWDGAFQWSA-N 1 0 185.355 3.447 10 0 AGAERO CCCCC[C@]1(C)[NH2+][C@@H](C)CS1 87649621 572643933 /nfs/dbraw/zinc/64/39/33/572643933.db2.gz IXAQYGZCSXYIJO-VHSXEESVSA-N 1 0 187.352 3.008 10 0 AGAERO CCCCC[C@H](C)[C@@H]([NH3+])C(C)C 87649358 572644192 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AGAERO CCC[NH2+]C[C@H]1C[C@]12CCC(C)(C)C2 87773560 572707392 /nfs/dbraw/zinc/70/73/92/572707392.db2.gz RIHNZDOYLODOIC-YPMHNXCESA-N 1 0 195.350 3.202 10 0 AGAERO CC[C@@H]1[NH2+][C@@H](C)C[C@H]1C1CCCCC1 70587303 572707459 /nfs/dbraw/zinc/70/74/59/572707459.db2.gz WOVQKQGURCSYGA-DRZSPHRISA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@@H]1[NH2+][C@@H](C)C[C@@H]1C1CCCCC1 70587305 572707483 /nfs/dbraw/zinc/70/74/83/572707483.db2.gz WOVQKQGURCSYGA-UHTWSYAYSA-N 1 0 195.350 3.343 10 0 AGAERO CC[NH2+][C@@H](CC)[C@H]1CCC(C)(C)C1 87770824 572707506 /nfs/dbraw/zinc/70/75/06/572707506.db2.gz IIXNUJAUFOCJMP-QWRGUYRKSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[NH2+]CC(C)(C)CC(C)C 54638048 572707552 /nfs/dbraw/zinc/70/75/52/572707552.db2.gz UYAWQBPQKRZBTO-UHFFFAOYSA-N 1 0 171.328 3.058 10 0 AGAERO CC(C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] 54630407 572707573 /nfs/dbraw/zinc/70/75/73/572707573.db2.gz BKXLOYCVHUAUTP-UPJWGTAASA-N 1 0 197.366 3.432 10 0 AGAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C 54630889 572707578 /nfs/dbraw/zinc/70/75/78/572707578.db2.gz VRGLTEKPJQDWGB-QJPTWQEYSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@H](C)CC1(C[NH2+]C)CCCC1 54655377 572707742 /nfs/dbraw/zinc/70/77/42/572707742.db2.gz JIHFLMKOSJBWNR-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CCC[NH2+][C@@H](C)[C@@H]1CCC(C)(C)C1 87770796 572708014 /nfs/dbraw/zinc/70/80/14/572708014.db2.gz DVWFAQXBVHERBE-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H](CC)[C@H]1CCC(C)(C)C1 87770826 572708219 /nfs/dbraw/zinc/70/82/19/572708219.db2.gz IIXNUJAUFOCJMP-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H](C(C)C)[C@@H]1CCC(C)(C)C1 87770852 572708499 /nfs/dbraw/zinc/70/84/99/572708499.db2.gz VYMMEXSIIMPRHH-VXGBXAGGSA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@@H](CC)[C@@H]1CCC(C)(C)C1 87770819 572708541 /nfs/dbraw/zinc/70/85/41/572708541.db2.gz IIXNUJAUFOCJMP-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@](C)(C[NH2+]C)C[C@@H](C)CC 54656383 572708548 /nfs/dbraw/zinc/70/85/48/572708548.db2.gz DZFADKATIFUKRI-RYUDHWBXSA-N 1 0 185.355 3.448 10 0 AGAERO CC[NH2+][C@@H](C(C)C)[C@H]1CCC(C)(C)C1 87770858 572708557 /nfs/dbraw/zinc/70/85/57/572708557.db2.gz VYMMEXSIIMPRHH-RYUDHWBXSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)C[NH2+]C[C@@H]1CCC(C)(C)C1 87770755 572708573 /nfs/dbraw/zinc/70/85/73/572708573.db2.gz ODKOKNWDEDRODP-LLVKDONJSA-N 1 0 183.339 3.058 10 0 AGAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C 54630886 572708663 /nfs/dbraw/zinc/70/86/63/572708663.db2.gz VRGLTEKPJQDWGB-SDDRHHMPSA-N 1 0 183.339 3.057 10 0 AGAERO CCC[NH2+]C[C@@H]1C[C@@]12CCC(C)(C)C2 87773557 572708714 /nfs/dbraw/zinc/70/87/14/572708714.db2.gz RIHNZDOYLODOIC-WCQYABFASA-N 1 0 195.350 3.202 10 0 AGAERO CCC(CC)(C[NH2+]C)CC(C)C 54658346 572709465 /nfs/dbraw/zinc/70/94/65/572709465.db2.gz SOWQPQLSXFGMJM-UHFFFAOYSA-N 1 0 171.328 3.058 10 0 AGAERO CCCCCC(C)(C)C[NH2+]CCF 87775401 572709528 /nfs/dbraw/zinc/70/95/28/572709528.db2.gz RVBAWBDDPLQSLW-UHFFFAOYSA-N 1 0 189.318 3.152 10 0 AGAERO CC(C)=CCC[C@@H](C)CCC[NH3+] 238425277 572709728 /nfs/dbraw/zinc/70/97/28/572709728.db2.gz XXNPYEIVVSNZIR-LLVKDONJSA-N 1 0 169.312 3.108 10 0 AGAERO CCCc1oc(C(C)C)cc1[C@H](C)[NH3+] 77080543 572710980 /nfs/dbraw/zinc/71/09/80/572710980.db2.gz INHIVPHVFRLDQT-VIFPVBQESA-N 1 0 195.306 3.375 10 0 AGAERO CC(C)c1cc([C@@H](C)[NH3+])c(C2CC2)o1 77082612 572711117 /nfs/dbraw/zinc/71/11/17/572711117.db2.gz NYRCIAFZUYLFHG-MRVPVSSYSA-N 1 0 193.290 3.300 10 0 AGAERO CCCc1oc(C)cc1C[NH2+]C(C)C 77080356 572711466 /nfs/dbraw/zinc/71/14/66/572711466.db2.gz ZQDUDJLOHWNWDR-UHFFFAOYSA-N 1 0 195.306 3.039 10 0 AGAERO CCC[NH2+]Cc1cc(C)oc1CCC 77080357 572711795 /nfs/dbraw/zinc/71/17/95/572711795.db2.gz GYCDKICQFSQJGX-UHFFFAOYSA-N 1 0 195.306 3.040 10 0 AGAERO CC(C)c1cc([C@H](C)[NH3+])c(C2CC2)o1 77082613 572712217 /nfs/dbraw/zinc/71/22/17/572712217.db2.gz NYRCIAFZUYLFHG-QMMMGPOBSA-N 1 0 193.290 3.300 10 0 AGAERO CCC[NH2+][C@@H](C)/C(C)=C\C(C)(C)C 308097176 572712421 /nfs/dbraw/zinc/71/24/21/572712421.db2.gz AOKAYVZJARTJHU-JUDLJHIGSA-N 1 0 183.339 3.367 10 0 AGAERO C[NH2+]CC1(C)CCC(C(C)(C)C)CC1 54657620 572712651 /nfs/dbraw/zinc/71/26/51/572712651.db2.gz BONASABBFFSKOX-UHFFFAOYSA-N 1 0 197.366 3.448 10 0 AGAERO CCCc1oc(C(C)C)cc1C[NH2+]C 77080462 572712775 /nfs/dbraw/zinc/71/27/75/572712775.db2.gz TTYLBVJGZWNKSU-UHFFFAOYSA-N 1 0 195.306 3.075 10 0 AGAERO CCC[NH2+][C@@H](C)/C=C\c1ccsc1 308097766 572713168 /nfs/dbraw/zinc/71/31/68/572713168.db2.gz BRNXLCGUPLNEBW-LWTINBJPSA-N 1 0 195.331 3.149 10 0 AGAERO CCC[NH2+][C@H](C)/C(C)=C\C(C)(C)C 308097174 572713454 /nfs/dbraw/zinc/71/34/54/572713454.db2.gz AOKAYVZJARTJHU-DWOQACPDSA-N 1 0 183.339 3.367 10 0 AGAERO CCCc1oc(C(C)C)cc1[C@@H](C)[NH3+] 77080542 572713866 /nfs/dbraw/zinc/71/38/66/572713866.db2.gz INHIVPHVFRLDQT-SECBINFHSA-N 1 0 195.306 3.375 10 0 AGAERO CCC[C@H]1CC[NH2+][C@H]1c1ccccc1 54683988 572714184 /nfs/dbraw/zinc/71/41/84/572714184.db2.gz ZCZRZYIRPSIGQS-WCQYABFASA-N 1 0 189.302 3.137 10 0 AGAERO CCC[NH2+][C@H](C)/C=C\c1ccsc1 308097767 572714238 /nfs/dbraw/zinc/71/42/38/572714238.db2.gz BRNXLCGUPLNEBW-UMCURTJPSA-N 1 0 195.331 3.149 10 0 AGAERO CCC[C@@H]1CC[NH2+][C@@H]1c1ccccc1 54683982 572714752 /nfs/dbraw/zinc/71/47/52/572714752.db2.gz ZCZRZYIRPSIGQS-YPMHNXCESA-N 1 0 189.302 3.137 10 0 AGAERO CCC[C@H]1CC[NH2+][C@@H]1c1ccccc1 54683984 572714891 /nfs/dbraw/zinc/71/48/91/572714891.db2.gz ZCZRZYIRPSIGQS-AAEUAGOBSA-N 1 0 189.302 3.137 10 0 AGAERO CC=C=C(C[NH3+])CCCCCC 307881528 572715210 /nfs/dbraw/zinc/71/52/10/572715210.db2.gz JZNUCMANLNAUBC-UHFFFAOYSA-N 1 0 167.296 3.017 10 0 AGAERO CC(C)c1ccccc1[C@H](C)[C@@H](C)[NH3+] 307626746 572716023 /nfs/dbraw/zinc/71/60/23/572716023.db2.gz HXVCGYUHFGPPBS-GHMZBOCLSA-N 1 0 191.318 3.261 10 0 AGAERO CCC[C@@H]1CC[NH2+][C@H]1c1ccccc1 54683986 572716382 /nfs/dbraw/zinc/71/63/82/572716382.db2.gz ZCZRZYIRPSIGQS-DGCLKSJQSA-N 1 0 189.302 3.137 10 0 AGAERO [NH3+]CCC/C=C\Sc1ccccc1 308098906 572716524 /nfs/dbraw/zinc/71/65/24/572716524.db2.gz ZICKCQAJWNPETR-POHAHGRESA-N 1 0 193.315 3.031 10 0 AGAERO C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccco2)C1 70643078 572717475 /nfs/dbraw/zinc/71/74/75/572717475.db2.gz VTKWMFBCNCPXNX-DCAQKATOSA-N 1 0 193.290 3.119 10 0 AGAERO C[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccco2)C1 70643080 572718970 /nfs/dbraw/zinc/71/89/70/572718970.db2.gz VTKWMFBCNCPXNX-GARJFASQSA-N 1 0 193.290 3.119 10 0 AGAERO Cc1ccc([C@@H]2C[C@@H](C)CC[NH2+]2)cc1 70651251 572720510 /nfs/dbraw/zinc/72/05/10/572720510.db2.gz FRSBQXNGVGMDCD-AAEUAGOBSA-N 1 0 189.302 3.056 10 0 AGAERO CC(C)/C(=C/CC[NH3+])C1CCCC1 714536051 572720556 /nfs/dbraw/zinc/72/05/56/572720556.db2.gz MCUKHWLWQFFKAK-WQLSENKSSA-N 1 0 181.323 3.108 10 0 AGAERO CCCC(=[NH2+])NC1CCC(C)(C)CC1 70655469 572720657 /nfs/dbraw/zinc/72/06/57/572720657.db2.gz FYBLXVSQCBSSPI-UHFFFAOYSA-N 1 0 196.338 3.322 10 0 AGAERO Cc1ccc([C@H]2C[C@H](C)CC[NH2+]2)cc1 70651250 572721575 /nfs/dbraw/zinc/72/15/75/572721575.db2.gz FRSBQXNGVGMDCD-DGCLKSJQSA-N 1 0 189.302 3.056 10 0 AGAERO CCCCCC[C@H]1[NH2+][C@@H](C)CS1 85310253 572721583 /nfs/dbraw/zinc/72/15/83/572721583.db2.gz LOKRKTVHWOICHB-UWVGGRQHSA-N 1 0 187.352 3.008 10 0 AGAERO Cc1ccccc1[C@H]1C[C@H](C)CC[NH2+]1 70651242 572721043 /nfs/dbraw/zinc/72/10/43/572721043.db2.gz ORYHQIKDJZGIDT-ZWNOBZJWSA-N 1 0 189.302 3.056 10 0 AGAERO Cc1ccc([C@@H]2C[C@H](C)CC[NH2+]2)cc1 70651249 572721114 /nfs/dbraw/zinc/72/11/14/572721114.db2.gz FRSBQXNGVGMDCD-YPMHNXCESA-N 1 0 189.302 3.056 10 0 AGAERO CCCCCC[C@@H]1[NH2+]C[C@H](C)S1 85302343 572721224 /nfs/dbraw/zinc/72/12/24/572721224.db2.gz WAMLPNLVXJFWBA-VHSXEESVSA-N 1 0 187.352 3.008 10 0 AGAERO CC(C)[C@@H]([NH3+])CCC(C)(C)C1CC1 405736344 572721330 /nfs/dbraw/zinc/72/13/30/572721330.db2.gz ASZVTOJTXBICKI-NSHDSACASA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)CCCCC[NH2+]C(C)C 70651837 572721464 /nfs/dbraw/zinc/72/14/64/572721464.db2.gz MUVQFWLXDLCXRC-UHFFFAOYSA-N 1 0 171.328 3.201 10 0 AGAERO Cc1cccc([C@H]2C[C@@H](C)CC[NH2+]2)c1 70651300 572721791 /nfs/dbraw/zinc/72/17/91/572721791.db2.gz SVPWPMGUJXCAJR-WCQYABFASA-N 1 0 189.302 3.056 10 0 AGAERO CCCCCC[C@H]1[NH2+]C[C@@H](C)S1 85302352 572722124 /nfs/dbraw/zinc/72/21/24/572722124.db2.gz WAMLPNLVXJFWBA-ZJUUUORDSA-N 1 0 187.352 3.008 10 0 AGAERO Cc1ccccc1[C@@H]1C[C@@H](C)CC[NH2+]1 70651243 572722491 /nfs/dbraw/zinc/72/24/91/572722491.db2.gz ORYHQIKDJZGIDT-GWCFXTLKSA-N 1 0 189.302 3.056 10 0 AGAERO Cc1cccc([C@H]2C[C@H](C)CC[NH2+]2)c1 70651298 572722496 /nfs/dbraw/zinc/72/24/96/572722496.db2.gz SVPWPMGUJXCAJR-DGCLKSJQSA-N 1 0 189.302 3.056 10 0 AGAERO Cc1ccccc1[C@@H]1C[C@H](C)CC[NH2+]1 70651241 572722571 /nfs/dbraw/zinc/72/25/71/572722571.db2.gz ORYHQIKDJZGIDT-MFKMUULPSA-N 1 0 189.302 3.056 10 0 AGAERO C=C/C=C\CC[C@H]([NH2+]C)[C@@H](C)C(C)C 713737202 572722743 /nfs/dbraw/zinc/72/27/43/572722743.db2.gz HZSVQGSTYHSFIF-YHQHFJRFSA-N 1 0 195.350 3.389 10 0 AGAERO CCCCC1([NH3+])CCC(C)(C)CC1 70654578 572722756 /nfs/dbraw/zinc/72/27/56/572722756.db2.gz ZCIXECAUKJMAPN-UHFFFAOYSA-N 1 0 183.339 3.474 10 0 AGAERO CCCCCC[C@@H]1[NH2+][C@@H](C)CS1 85310252 572722884 /nfs/dbraw/zinc/72/28/84/572722884.db2.gz LOKRKTVHWOICHB-VHSXEESVSA-N 1 0 187.352 3.008 10 0 AGAERO CCCCCC[C@@H]1[NH2+]C[C@@H](C)S1 85302349 572722993 /nfs/dbraw/zinc/72/29/93/572722993.db2.gz WAMLPNLVXJFWBA-NXEZZACHSA-N 1 0 187.352 3.008 10 0 AGAERO CCCCCC[C@H]1[NH2+]C[C@H](C)S1 85302345 572723069 /nfs/dbraw/zinc/72/30/69/572723069.db2.gz WAMLPNLVXJFWBA-UWVGGRQHSA-N 1 0 187.352 3.008 10 0 AGAERO CC1(C)CCC([NH3+])(C2CCCC2)CC1 70654635 572723098 /nfs/dbraw/zinc/72/30/98/572723098.db2.gz LCTPIZJIPPYVRS-UHFFFAOYSA-N 1 0 195.350 3.474 10 0 AGAERO C=C/C=C\CC[C@H]([NH2+]C)[C@H](C)C(C)C 713737201 572723130 /nfs/dbraw/zinc/72/31/30/572723130.db2.gz HZSVQGSTYHSFIF-XRMAHGQMSA-N 1 0 195.350 3.389 10 0 AGAERO CCCCCC[C@@H]1[NH2+][C@H](C)CS1 85310248 572723246 /nfs/dbraw/zinc/72/32/46/572723246.db2.gz LOKRKTVHWOICHB-NXEZZACHSA-N 1 0 187.352 3.008 10 0 AGAERO CCCCCCSCC[C@H](C)[NH3+] 85316988 572724325 /nfs/dbraw/zinc/72/43/25/572724325.db2.gz JHKIPVFJYBKUCV-JTQLQIEISA-N 1 0 189.368 3.037 10 0 AGAERO CCCCCCSCC[C@@H](C)[NH3+] 85316987 572724350 /nfs/dbraw/zinc/72/43/50/572724350.db2.gz JHKIPVFJYBKUCV-SNVBAGLBSA-N 1 0 189.368 3.037 10 0 AGAERO CCCC1CCC([C@@H]2CC[NH2+]C2)CC1 70676918 572724472 /nfs/dbraw/zinc/72/44/72/572724472.db2.gz YOVMQHDVZNJMNF-WXRRBKDZSA-N 1 0 195.350 3.202 10 0 AGAERO CCCCC[C@H]1[NH2+][C@H](C)CCS1 85318625 572724599 /nfs/dbraw/zinc/72/45/99/572724599.db2.gz FOHWULRQXGTLES-ZJUUUORDSA-N 1 0 187.352 3.008 10 0 AGAERO CCCC[C@H](C)[C@@H]([NH3+])CCCC 116511901 572724753 /nfs/dbraw/zinc/72/47/53/572724753.db2.gz ZTUTYIJJZRSNPJ-QWRGUYRKSA-N 1 0 171.328 3.330 10 0 AGAERO CCCC[C@H](C)[C@H]([NH3+])CCCC 116511906 572724776 /nfs/dbraw/zinc/72/47/76/572724776.db2.gz ZTUTYIJJZRSNPJ-WDEREUQCSA-N 1 0 171.328 3.330 10 0 AGAERO CCCCC[C@@H]1[NH2+][C@H](C)CCS1 85318624 572724905 /nfs/dbraw/zinc/72/49/05/572724905.db2.gz FOHWULRQXGTLES-NXEZZACHSA-N 1 0 187.352 3.008 10 0 AGAERO C/C=C\C[NH2+]C(C)(C)CC(C)(C)C 308104990 572725047 /nfs/dbraw/zinc/72/50/47/572725047.db2.gz OGGPGQQINVVTTK-FPLPWBNLSA-N 1 0 183.339 3.367 10 0 AGAERO CCCCC[C@@H]1[NH2+][C@@H](C)CCS1 85318626 572725170 /nfs/dbraw/zinc/72/51/70/572725170.db2.gz FOHWULRQXGTLES-VHSXEESVSA-N 1 0 187.352 3.008 10 0 AGAERO CCCCCC[C@H]1[NH2+]CCCS1 85314864 572725316 /nfs/dbraw/zinc/72/53/16/572725316.db2.gz NFRXBAVSZKJXAE-JTQLQIEISA-N 1 0 187.352 3.009 10 0 AGAERO CCCC[C@]1([NH3+])CCCC(C)(C)C1 70682734 572725324 /nfs/dbraw/zinc/72/53/24/572725324.db2.gz PVLQFCMNSKXNIG-LBPRGKRZSA-N 1 0 183.339 3.474 10 0 AGAERO C/C(=C/Cl)C[NH2+]CCC1=CCCC1 308105712 572725417 /nfs/dbraw/zinc/72/54/17/572725417.db2.gz FSWGZNPHJHHPTM-NTMALXAHSA-N 1 0 199.725 3.219 10 0 AGAERO CCCC[C@@]1([NH3+])CCCC(C)(C)C1 70682736 572725424 /nfs/dbraw/zinc/72/54/24/572725424.db2.gz PVLQFCMNSKXNIG-GFCCVEGCSA-N 1 0 183.339 3.474 10 0 AGAERO CCCC[C@@H](C)[C@H]([NH3+])CCCC 116511904 572725786 /nfs/dbraw/zinc/72/57/86/572725786.db2.gz ZTUTYIJJZRSNPJ-GHMZBOCLSA-N 1 0 171.328 3.330 10 0 AGAERO CC1(C)CCC[C@]([NH3+])(C2CCCC2)C1 70682752 572726076 /nfs/dbraw/zinc/72/60/76/572726076.db2.gz ABSOMVOUWMUMEB-CYBMUJFWSA-N 1 0 195.350 3.474 10 0 AGAERO CCCCC[C@H]1[NH2+][C@@H](C)CCS1 85318627 572726114 /nfs/dbraw/zinc/72/61/14/572726114.db2.gz FOHWULRQXGTLES-UWVGGRQHSA-N 1 0 187.352 3.008 10 0 AGAERO CCCCCC[C@@H]1[NH2+]CCCS1 85314863 572726446 /nfs/dbraw/zinc/72/64/46/572726446.db2.gz NFRXBAVSZKJXAE-SNVBAGLBSA-N 1 0 187.352 3.009 10 0 AGAERO CCCC[C@H]([NH3+])[C@H](C)CCCC 116511900 572726454 /nfs/dbraw/zinc/72/64/54/572726454.db2.gz ZTUTYIJJZRSNPJ-MNOVXSKESA-N 1 0 171.328 3.330 10 0 AGAERO CC1(C)CCC[C@@]([NH3+])(C2CCCC2)C1 70682754 572726625 /nfs/dbraw/zinc/72/66/25/572726625.db2.gz ABSOMVOUWMUMEB-ZDUSSCGKSA-N 1 0 195.350 3.474 10 0 AGAERO C=C/C=C\CC[NH2+]CC1CC(C)(C)C1 713738238 572726730 /nfs/dbraw/zinc/72/67/30/572726730.db2.gz CALDPIAXNLVPQF-WAYWQWQTSA-N 1 0 193.334 3.145 10 0 AGAERO CCCC1CCC([C@H]2CC[NH2+]C2)CC1 70676920 572726818 /nfs/dbraw/zinc/72/68/18/572726818.db2.gz YOVMQHDVZNJMNF-BPCQOVAHSA-N 1 0 195.350 3.202 10 0 AGAERO C[C@@H]1CCC[C@H]([C@@H]2CCC[C@@H](C)[NH2+]2)C1 235322076 572727167 /nfs/dbraw/zinc/72/71/67/572727167.db2.gz IUEZXPOYJJMDDS-NDBYEHHHSA-N 1 0 195.350 3.343 10 0 AGAERO Cc1cccc([C@H]2[NH2+]CCC[C@@H]2C)c1 70709237 572727668 /nfs/dbraw/zinc/72/76/68/572727668.db2.gz FTVQSDOBCHZRBY-AAEUAGOBSA-N 1 0 189.302 3.056 10 0 AGAERO CC[NH2+][C@H](C)/C(C)=C\C1CCCC1 308101185 572727753 /nfs/dbraw/zinc/72/77/53/572727753.db2.gz GGFOHMFMMMRSFS-DWOQACPDSA-N 1 0 181.323 3.121 10 0 AGAERO Cc1oc(C(C)C)c([C@@H](C)[NH3+])c1C 77089032 572727772 /nfs/dbraw/zinc/72/77/72/572727772.db2.gz MAUPWEIFZGCRNO-MRVPVSSYSA-N 1 0 181.279 3.040 10 0 AGAERO Cc1cccc([C@@H]2[NH2+]CCC[C@@H]2C)c1 70709238 572728086 /nfs/dbraw/zinc/72/80/86/572728086.db2.gz FTVQSDOBCHZRBY-WCQYABFASA-N 1 0 189.302 3.056 10 0 AGAERO Cc1cccc([C@H]2CCC[C@@H](C)[NH2+]2)c1 70709990 572728132 /nfs/dbraw/zinc/72/81/32/572728132.db2.gz ZWCPGEQXGMBVMB-DGCLKSJQSA-N 1 0 189.302 3.198 10 0 AGAERO C[C@@H]1CCC[C@H]([C@@H]2CC[C@@H](C)[NH2+]C2)C1 235322464 572728283 /nfs/dbraw/zinc/72/82/83/572728283.db2.gz 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572733616 /nfs/dbraw/zinc/73/36/16/572733616.db2.gz XYGXTFANOKKLNW-QMMMGPOBSA-N 1 0 197.347 3.374 10 0 AGAERO Cc1cc([C@H](C)[NH3+])c(C(C)C)s1 77093383 572734065 /nfs/dbraw/zinc/73/40/65/572734065.db2.gz ASHZFEORYHQCER-QMMMGPOBSA-N 1 0 183.320 3.200 10 0 AGAERO Cc1cc([C@@H](C)[NH3+])c(C(C)C)s1 77093382 572733922 /nfs/dbraw/zinc/73/39/22/572733922.db2.gz ASHZFEORYHQCER-MRVPVSSYSA-N 1 0 183.320 3.200 10 0 AGAERO CCc1ccc(/C=C(\C)[C@@H](C)[NH3+])s1 308102176 572734521 /nfs/dbraw/zinc/73/45/21/572734521.db2.gz GWNJMAZUMPPQDB-FCZSHJHJSA-N 1 0 195.331 3.061 10 0 AGAERO CC[NH2+][C@@H]1CCCC[C@@H](C(C)C)C1 70746106 572736312 /nfs/dbraw/zinc/73/63/12/572736312.db2.gz NHZAMESHUOKWEP-VXGBXAGGSA-N 1 0 183.339 3.201 10 0 AGAERO C=C/C=C/CC[NH2+]C[C@@H](C)CCC 713474549 572734819 /nfs/dbraw/zinc/73/48/19/572734819.db2.gz CTFGLDJKZZGRGV-SYTKJHMZSA-N 1 0 181.323 3.145 10 0 AGAERO C[NH2+][C@H]1CCC[C@@H](CC2CCCC2)C1 70744884 572734965 /nfs/dbraw/zinc/73/49/65/572734965.db2.gz ZNWIJZBAHUCCJI-STQMWFEESA-N 1 0 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3.332 10 0 AGAERO CCCC[C@H](CC)C[C@@H]1CC[C@@H]1[NH3+] 87935555 572757247 /nfs/dbraw/zinc/75/72/47/572757247.db2.gz NZKAZWPTLBNDDM-SRVKXCTJSA-N 1 0 183.339 3.330 10 0 AGAERO CCCC/C=C1\CC[NH2+]CC1(C)C 308114263 572757281 /nfs/dbraw/zinc/75/72/81/572757281.db2.gz UUMYYGHAQQFNRQ-YRNVUSSQSA-N 1 0 181.323 3.123 10 0 AGAERO [NH3+][C@H]1CC[C@@H]1c1cccc2ccccc12 87934788 572757316 /nfs/dbraw/zinc/75/73/16/572757316.db2.gz FBAZLTAZVGMCMN-KGLIPLIRSA-N 1 0 197.281 3.045 10 0 AGAERO [NH3+][C@H]1CC[C@H]1c1cccc2ccccc12 87934787 572757403 /nfs/dbraw/zinc/75/74/03/572757403.db2.gz FBAZLTAZVGMCMN-KBPBESRZSA-N 1 0 197.281 3.045 10 0 AGAERO CCC[NH2+][C@H](C)/C=C\C(CC)CC 308114525 572757552 /nfs/dbraw/zinc/75/75/52/572757552.db2.gz OSTLTUOZIOSQCA-TYBABMIJSA-N 1 0 183.339 3.367 10 0 AGAERO C[C@@H]1CC(C(C)(C)C[NH3+])C[C@H](C)C1 87934640 572757559 /nfs/dbraw/zinc/75/75/59/572757559.db2.gz YPHWBJWCRQWZLF-ZACCUICWSA-N 1 0 183.339 3.044 10 0 AGAERO CCCCC[C@@H]1CCCC[C@H]1C[NH3+] 87941452 572757561 /nfs/dbraw/zinc/75/75/61/572757561.db2.gz RMLAKWQZSDZFLL-NEPJUHHUSA-N 1 0 183.339 3.332 10 0 AGAERO CCCCC[C@@H]1CCCC[C@@H]1C[NH3+] 87941447 572757595 /nfs/dbraw/zinc/75/75/95/572757595.db2.gz RMLAKWQZSDZFLL-VXGBXAGGSA-N 1 0 183.339 3.332 10 0 AGAERO CC[C@H]1CCCC[C@@H]1[C@@H]1CC[C@@H]1C[NH3+] 87942433 572757839 /nfs/dbraw/zinc/75/78/39/572757839.db2.gz VXUKEFVAHAXTHV-QNWHQSFQSA-N 1 0 195.350 3.188 10 0 AGAERO CC(C)CC[C@@H]1CCCC[C@H]1C[NH3+] 87941092 572757637 /nfs/dbraw/zinc/75/76/37/572757637.db2.gz LFWVGJCGERIISC-RYUDHWBXSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@H](C)C[C@@H]1CCCC[C@@H]1C[NH3+] 87941505 572757846 /nfs/dbraw/zinc/75/78/46/572757846.db2.gz CPISJTPKURZHTE-SDDRHHMPSA-N 1 0 183.339 3.188 10 0 AGAERO CCC(CC)[C@@H]1CCCC[C@@H]1C[NH3+] 87941456 572757700 /nfs/dbraw/zinc/75/77/00/572757700.db2.gz RXGLMRYBFLJGCE-NEPJUHHUSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@H]1CCC[C@H]([C@@H]2CC[C@@H]2C[NH3+])C1 87942606 572757717 /nfs/dbraw/zinc/75/77/17/572757717.db2.gz CAJOBHNEQJRHST-RVMXOQNASA-N 1 0 195.350 3.188 10 0 AGAERO CC(C)CC[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] 87944671 572757738 /nfs/dbraw/zinc/75/77/38/572757738.db2.gz MUAWPOUFZZVREU-YNEHKIRRSA-N 1 0 197.366 3.434 10 0 AGAERO CCC[C@@H](C)C[C@H]1CCC[C@@H]1C[NH3+] 87940156 572757762 /nfs/dbraw/zinc/75/77/62/572757762.db2.gz USWOGPQUMPTZSU-IJLUTSLNSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@H]1CC[C@@H]([NH3+])[C@H](C2CCCC2)C1 87936149 572758568 /nfs/dbraw/zinc/75/85/68/572758568.db2.gz KFBKZWVVFPCGMK-WCFLWFBJSA-N 1 0 195.350 3.330 10 0 AGAERO C[C@H]1CC[C@H](C(C)(C)C[NH3+])C[C@@H]1C 87934627 572758029 /nfs/dbraw/zinc/75/80/29/572758029.db2.gz XNKAUUKCGUHACQ-DCAQKATOSA-N 1 0 183.339 3.044 10 0 AGAERO C[NH2+][C@H](C)/C=C\C1CCCCCC1 308115608 572759553 /nfs/dbraw/zinc/75/95/53/572759553.db2.gz REDHRNCOSJJJCY-DWOQACPDSA-N 1 0 181.323 3.121 10 0 AGAERO CCC[C@H]1CC[C@@H](C[NH3+])[C@H](C2CC2)C1 87945633 572759554 /nfs/dbraw/zinc/75/95/54/572759554.db2.gz RLNWBJNESHOZJZ-DRZSPHRISA-N 1 0 195.350 3.188 10 0 AGAERO CCC[C@H](C)C[C@H]1CCC[C@@H]1C[NH3+] 87940158 572758116 /nfs/dbraw/zinc/75/81/16/572758116.db2.gz USWOGPQUMPTZSU-QJPTWQEYSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1F 307639119 572758186 /nfs/dbraw/zinc/75/81/86/572758186.db2.gz ZMANCHSKMXOHCX-QCNOEVLYSA-N 1 0 199.313 3.045 10 0 AGAERO CC[C@@H]1CCC[C@@H]([C@@H](C)CC[NH3+])C1 87937010 572758575 /nfs/dbraw/zinc/75/85/75/572758575.db2.gz ZPNBJCQWRCKUFN-QJPTWQEYSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F 307639121 572758281 /nfs/dbraw/zinc/75/82/81/572758281.db2.gz ZMANCHSKMXOHCX-WYUUTHIRSA-N 1 0 199.313 3.045 10 0 AGAERO C[C@@H]1C[NH2+]C[C@H](CC2CCCCC2)C1 235339461 572758319 /nfs/dbraw/zinc/75/83/19/572758319.db2.gz HMVDTKMCHKPRHU-AAEUAGOBSA-N 1 0 195.350 3.202 10 0 AGAERO CCC[C@@H](C)CC(C)(C)CC[NH3+] 87937358 572758474 /nfs/dbraw/zinc/75/84/74/572758474.db2.gz PLROZSMJIAYALL-SNVBAGLBSA-N 1 0 171.328 3.188 10 0 AGAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](C2CC2)C1 87945628 572758478 /nfs/dbraw/zinc/75/84/78/572758478.db2.gz RLNWBJNESHOZJZ-RTXFEEFZSA-N 1 0 195.350 3.188 10 0 AGAERO C[NH2+][C@@H](C)/C(C)=C\c1sccc1C 308116578 572758492 /nfs/dbraw/zinc/75/84/92/572758492.db2.gz TTYCZGLTMNSMHH-RNKPRXRFSA-N 1 0 195.331 3.068 10 0 AGAERO CC[C@H]1C[C@H](C(C)C)CC[C@@H]1C[NH3+] 87946025 572758509 /nfs/dbraw/zinc/75/85/09/572758509.db2.gz CFMNEJLUKSFWAI-QJPTWQEYSA-N 1 0 183.339 3.044 10 0 AGAERO CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](C(C)(C)C)C1 87936497 572758609 /nfs/dbraw/zinc/75/86/09/572758609.db2.gz DYHVSQRIPGXEBO-QJPTWQEYSA-N 1 0 197.366 3.432 10 0 AGAERO CCC[C@@H](C)C[C@@H](C)CC[NH2+]C 87947763 572758635 /nfs/dbraw/zinc/75/86/35/572758635.db2.gz STVYFNIAFZODJC-MNOVXSKESA-N 1 0 171.328 3.058 10 0 AGAERO C[C@H]1C[C@H]([C@@H](C)CC[NH3+])CC[C@H]1C 87936962 572759620 /nfs/dbraw/zinc/75/96/20/572759620.db2.gz OVJQOQIAECXRJU-NOOOWODRSA-N 1 0 183.339 3.044 10 0 AGAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](CC)C1 87945753 572758690 /nfs/dbraw/zinc/75/86/90/572758690.db2.gz UOGRCRQQYRHZJS-IJLUTSLNSA-N 1 0 183.339 3.188 10 0 AGAERO CCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C[NH3+] 87945964 572758739 /nfs/dbraw/zinc/75/87/39/572758739.db2.gz HRGHSIAMQQISKA-YNEHKIRRSA-N 1 0 197.366 3.434 10 0 AGAERO CC[C@@H]1CCC[C@H]([C@@H](C)CC[NH3+])C1 87937008 572758771 /nfs/dbraw/zinc/75/87/71/572758771.db2.gz ZPNBJCQWRCKUFN-TUAOUCFPSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@H]1C[C@@H](C(C)C)CC[C@@H]1C[NH3+] 87946029 572759193 /nfs/dbraw/zinc/75/91/93/572759193.db2.gz CFMNEJLUKSFWAI-SDDRHHMPSA-N 1 0 183.339 3.044 10 0 AGAERO CCC[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] 87945314 572758837 /nfs/dbraw/zinc/75/88/37/572758837.db2.gz HWEAVYPYJUZKES-QJPTWQEYSA-N 1 0 183.339 3.188 10 0 AGAERO CC(C)(C)CCC(C)(C)CC[NH3+] 87937254 572759224 /nfs/dbraw/zinc/75/92/24/572759224.db2.gz NHWPOJXWCDIJMZ-UHFFFAOYSA-N 1 0 171.328 3.188 10 0 AGAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](C(C)C)C1 87945604 572758811 /nfs/dbraw/zinc/75/88/11/572758811.db2.gz QYKDCICSPNLGPD-UPJWGTAASA-N 1 0 197.366 3.434 10 0 AGAERO CCC1CCC([C@@H](C)CC[NH3+])CC1 87937018 572759230 /nfs/dbraw/zinc/75/92/30/572759230.db2.gz AXUMEXMIGLGKPN-UNXYVOJBSA-N 1 0 183.339 3.188 10 0 AGAERO CCC[C@H]1CC[C@@H](C[NH3+])[C@H](C(C)C)C1 87945609 572758910 /nfs/dbraw/zinc/75/89/10/572758910.db2.gz QYKDCICSPNLGPD-AVGNSLFASA-N 1 0 197.366 3.434 10 0 AGAERO CCC[C@H]1CC[C@H](C[NH3+])[C@H](C(C)C)C1 87945606 572758939 /nfs/dbraw/zinc/75/89/39/572758939.db2.gz QYKDCICSPNLGPD-XQQFMLRXSA-N 1 0 197.366 3.434 10 0 AGAERO CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](C(C)C)C1 87936493 572758961 /nfs/dbraw/zinc/75/89/61/572758961.db2.gz YKPYXKKGQMFPGP-SDDRHHMPSA-N 1 0 183.339 3.042 10 0 AGAERO CC[C@H]1CCC[C@@H]([C@@H](C)CC[NH3+])C1 87937011 572759053 /nfs/dbraw/zinc/75/90/53/572759053.db2.gz ZPNBJCQWRCKUFN-SDDRHHMPSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@@H](C)[C@H]1CC(C)(C)CC[C@@H]1C[NH3+] 87946782 572759064 /nfs/dbraw/zinc/75/90/64/572759064.db2.gz TVBSVCAVOWFBCP-IJLUTSLNSA-N 1 0 197.366 3.434 10 0 AGAERO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1F 307639118 572759066 /nfs/dbraw/zinc/75/90/66/572759066.db2.gz ZMANCHSKMXOHCX-KKOKHZNYSA-N 1 0 199.313 3.045 10 0 AGAERO CCC[C@H]1CC[C@H]([NH3+])[C@H](C(C)C)C1 87936371 572759187 /nfs/dbraw/zinc/75/91/87/572759187.db2.gz ZLWHPVIELNTYKY-SRVKXCTJSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@@H](C)[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] 87936480 572759137 /nfs/dbraw/zinc/75/91/37/572759137.db2.gz LUIQWJJDBJVRIW-LPWJVIDDSA-N 1 0 197.366 3.432 10 0 AGAERO CC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F 307639120 572759167 /nfs/dbraw/zinc/75/91/67/572759167.db2.gz ZMANCHSKMXOHCX-USZNOCQGSA-N 1 0 199.313 3.045 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[C@@H](C)CC[NH3+] 87936986 572759359 /nfs/dbraw/zinc/75/93/59/572759359.db2.gz AEVRJHOFZZABIK-QJPTWQEYSA-N 1 0 183.339 3.188 10 0 AGAERO CC(C)(C)[C@H]1CC[C@@H]([NH3+])[C@H](C2CC2)C1 87936589 572759208 /nfs/dbraw/zinc/75/92/08/572759208.db2.gz VSBULANJKSZRKP-SDDRHHMPSA-N 1 0 195.350 3.186 10 0 AGAERO CC(C)[C@H]1CC[C@H]([NH3+])[C@H](C(C)(C)C)C1 87936495 572759220 /nfs/dbraw/zinc/75/92/20/572759220.db2.gz DYHVSQRIPGXEBO-TUAOUCFPSA-N 1 0 197.366 3.432 10 0 AGAERO CCC[C@H](C)C[C@H](C)CC[NH2+]C 87947769 572759268 /nfs/dbraw/zinc/75/92/68/572759268.db2.gz STVYFNIAFZODJC-WDEREUQCSA-N 1 0 171.328 3.058 10 0 AGAERO CC[C@H]1CCC[C@H]([C@@H](C)CC[NH2+]C)C1 87947826 572759273 /nfs/dbraw/zinc/75/92/73/572759273.db2.gz AJQDWCWFOCACBQ-AVGNSLFASA-N 1 0 197.366 3.448 10 0 AGAERO C/C=C\CC[NH2+][C@H](C)CCCC 307922881 572759274 /nfs/dbraw/zinc/75/92/74/572759274.db2.gz DUNRPMSMPDNNTN-VLWUPBBWSA-N 1 0 169.312 3.121 10 0 AGAERO CC[C@H]1CC[C@H](C[NH3+])[C@H](C(C)C)C1 87945151 572759283 /nfs/dbraw/zinc/75/92/83/572759283.db2.gz FGYLYSWBEISFLS-TUAOUCFPSA-N 1 0 183.339 3.044 10 0 AGAERO C[C@H]1CC[C@H](C(C)(C)CC[NH3+])C[C@@H]1C 87937271 572759338 /nfs/dbraw/zinc/75/93/38/572759338.db2.gz OFSZLIDRAJNFLF-SRVKXCTJSA-N 1 0 197.366 3.434 10 0 AGAERO C[NH2+]CC[C@H](C)[C@@H]1CCC[C@@H](C)C1 87947693 572759440 /nfs/dbraw/zinc/75/94/40/572759440.db2.gz FFUOQNLEAJAMFS-GRYCIOLGSA-N 1 0 183.339 3.058 10 0 AGAERO C[C@H]1CC[C@@H](C(C)(C)CC[NH3+])C[C@@H]1C 87937273 572759448 /nfs/dbraw/zinc/75/94/48/572759448.db2.gz OFSZLIDRAJNFLF-SDDRHHMPSA-N 1 0 197.366 3.434 10 0 AGAERO CC[C@H](C)C[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] 87944994 572759455 /nfs/dbraw/zinc/75/94/55/572759455.db2.gz GDUALSORTNLCLY-UMSGYPCISA-N 1 0 197.366 3.434 10 0 AGAERO C[NH2+][C@@H](C)/C=C\C1CCCCCC1 308115609 572759476 /nfs/dbraw/zinc/75/94/76/572759476.db2.gz REDHRNCOSJJJCY-JUDLJHIGSA-N 1 0 181.323 3.121 10 0 AGAERO CC(C)[C@H]1CC[C@@H](C[NH3+])[C@H](C(C)C)C1 87945872 572759520 /nfs/dbraw/zinc/75/95/20/572759520.db2.gz TUDWZFRCGQCEBX-AVGNSLFASA-N 1 0 197.366 3.290 10 0 AGAERO CC[C@H]1CC[C@H]([NH3+])[C@H](C(C)(C)C)C1 87936223 572759549 /nfs/dbraw/zinc/75/95/49/572759549.db2.gz BODWJYZGGXGLMT-AXFHLTTASA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@@H](C)[C@@H]1CC(C)(C)CC[C@@H]1C[NH3+] 87946777 572759579 /nfs/dbraw/zinc/75/95/79/572759579.db2.gz TVBSVCAVOWFBCP-UTUOFQBUSA-N 1 0 197.366 3.434 10 0 AGAERO C[NH2+][C@@H](C)/C(C)=C\c1ccc(C)s1 308116056 572759607 /nfs/dbraw/zinc/75/96/07/572759607.db2.gz SWKHLRCTRGCPSQ-DMEOUFDRSA-N 1 0 195.331 3.068 10 0 AGAERO CC[NH2+][C@@H](C1CC1)[C@@H](CC)CC(C)C 308111059 572759640 /nfs/dbraw/zinc/75/96/40/572759640.db2.gz ZOGMBHXQTBUQDD-WCQYABFASA-N 1 0 197.366 3.447 10 0 AGAERO CCC(CC)[C@H]1C[C@@H](C)CC[C@@H]1[NH3+] 87936049 572759675 /nfs/dbraw/zinc/75/96/75/572759675.db2.gz VGNOWOKYJCFFDD-WCQGTBRESA-N 1 0 183.339 3.186 10 0 AGAERO CCC(CC)[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 87936047 572759729 /nfs/dbraw/zinc/75/97/29/572759729.db2.gz VGNOWOKYJCFFDD-JLLWLGSASA-N 1 0 183.339 3.186 10 0 AGAERO CCC[C@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] 87945315 572759789 /nfs/dbraw/zinc/75/97/89/572759789.db2.gz HWEAVYPYJUZKES-SDDRHHMPSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@@H]1CCCC[C@H]1[C@@H](C)CC[NH3+] 87936988 572759803 /nfs/dbraw/zinc/75/98/03/572759803.db2.gz AEVRJHOFZZABIK-TUAOUCFPSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@H]1CCC[C@H]([C@@H](C)CC[NH3+])C1 87937009 572759853 /nfs/dbraw/zinc/75/98/53/572759853.db2.gz ZPNBJCQWRCKUFN-SRVKXCTJSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@H]1CCCC[C@@H]1[C@@H](C)CC[NH3+] 87936987 572760024 /nfs/dbraw/zinc/76/00/24/572760024.db2.gz AEVRJHOFZZABIK-SDDRHHMPSA-N 1 0 183.339 3.188 10 0 AGAERO C[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] 87946255 572760217 /nfs/dbraw/zinc/76/02/17/572760217.db2.gz OALZCBBIZFTELH-HBNTYKKESA-N 1 0 183.339 3.044 10 0 AGAERO CCC[C@H](C)CC(C)(C)CC[NH3+] 87937359 572760084 /nfs/dbraw/zinc/76/00/84/572760084.db2.gz PLROZSMJIAYALL-JTQLQIEISA-N 1 0 171.328 3.188 10 0 AGAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](C(C)C)C1 87945607 572760107 /nfs/dbraw/zinc/76/01/07/572760107.db2.gz QYKDCICSPNLGPD-AGIUHOORSA-N 1 0 197.366 3.434 10 0 AGAERO CC[C@H]1CC[C@@H]([NH3+])[C@H](C(C)(C)C)C1 87936225 572760120 /nfs/dbraw/zinc/76/01/20/572760120.db2.gz BODWJYZGGXGLMT-HBNTYKKESA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] 87946248 572760127 /nfs/dbraw/zinc/76/01/27/572760127.db2.gz FKCCEMBDZYWFBY-QJPTWQEYSA-N 1 0 197.366 3.434 10 0 AGAERO C[C@H]1CC[C@@H](C[NH3+])[C@H](C(C)(C)C)C1 87944956 572760134 /nfs/dbraw/zinc/76/01/34/572760134.db2.gz VUOAMEZSRMNJHE-GARJFASQSA-N 1 0 183.339 3.044 10 0 AGAERO CC[C@H]1CCCC[C@H]1[C@@H](C)CC[NH3+] 87936989 572760483 /nfs/dbraw/zinc/76/04/83/572760483.db2.gz AEVRJHOFZZABIK-SRVKXCTJSA-N 1 0 183.339 3.188 10 0 AGAERO CCC[C@@H](C)C[C@H](C)CC[NH2+]C 87947767 572760498 /nfs/dbraw/zinc/76/04/98/572760498.db2.gz STVYFNIAFZODJC-GHMZBOCLSA-N 1 0 171.328 3.058 10 0 AGAERO C[NH2+]CC[C@H](C)CCC(C)(C)C 87947626 572761257 /nfs/dbraw/zinc/76/12/57/572761257.db2.gz VDBBUBYKSAAUMG-SNVBAGLBSA-N 1 0 171.328 3.058 10 0 AGAERO CC[C@@H](C)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 87936730 572760538 /nfs/dbraw/zinc/76/05/38/572760538.db2.gz OUAJJWLDXUNJCC-VWYCJHECSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H]1CC[C@@H](C[NH3+])[C@H](C(C)C)C1 87945153 572760541 /nfs/dbraw/zinc/76/05/41/572760541.db2.gz FGYLYSWBEISFLS-SRVKXCTJSA-N 1 0 183.339 3.044 10 0 AGAERO CCC[C@H](C)C[C@@H](C)CC[NH2+]C 87947765 572760621 /nfs/dbraw/zinc/76/06/21/572760621.db2.gz STVYFNIAFZODJC-QWRGUYRKSA-N 1 0 171.328 3.058 10 0 AGAERO CCC(CC)[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] 87944971 572760651 /nfs/dbraw/zinc/76/06/51/572760651.db2.gz KRRCJCUWVUGDPZ-UHTWSYAYSA-N 1 0 197.366 3.434 10 0 AGAERO CC[NH2+][C@H](C1CC1)[C@@H](CC)CC(C)C 308111057 572760701 /nfs/dbraw/zinc/76/07/01/572760701.db2.gz ZOGMBHXQTBUQDD-AAEUAGOBSA-N 1 0 197.366 3.447 10 0 AGAERO CCC(CC)[C@H]1C[C@@H](C)CC[C@@H]1C[NH3+] 87944973 572760756 /nfs/dbraw/zinc/76/07/56/572760756.db2.gz KRRCJCUWVUGDPZ-CYZMBNFOSA-N 1 0 197.366 3.434 10 0 AGAERO C[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] 87946260 572760741 /nfs/dbraw/zinc/76/07/41/572760741.db2.gz OALZCBBIZFTELH-AXFHLTTASA-N 1 0 183.339 3.044 10 0 AGAERO CC(C)[C@H]1CC[C@H](C[NH3+])[C@H](C2CC2)C1 87945893 572760745 /nfs/dbraw/zinc/76/07/45/572760745.db2.gz WUPGSIBGJKWMKO-XQQFMLRXSA-N 1 0 195.350 3.044 10 0 AGAERO CCC[C@H]1CC[C@@H]([NH3+])[C@H](C(C)C)C1 87936373 572761265 /nfs/dbraw/zinc/76/12/65/572761265.db2.gz ZLWHPVIELNTYKY-SDDRHHMPSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H]1CC[C@@H](C[NH3+])[C@H](C(C)(C)C)C1 87945495 572760991 /nfs/dbraw/zinc/76/09/91/572760991.db2.gz FJTIAIWFTLBFDH-SDDRHHMPSA-N 1 0 197.366 3.434 10 0 AGAERO CCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1C[NH3+] 87945966 572760969 /nfs/dbraw/zinc/76/09/69/572760969.db2.gz HRGHSIAMQQISKA-RWMBFGLXSA-N 1 0 197.366 3.434 10 0 AGAERO CC[C@H](C)[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] 87936481 572761004 /nfs/dbraw/zinc/76/10/04/572761004.db2.gz LUIQWJJDBJVRIW-LOWDOPEQSA-N 1 0 197.366 3.432 10 0 AGAERO C[NH2+]CC[C@@H](C)CCC(C)(C)C 87947624 572761084 /nfs/dbraw/zinc/76/10/84/572761084.db2.gz VDBBUBYKSAAUMG-JTQLQIEISA-N 1 0 171.328 3.058 10 0 AGAERO CC(C)(C)[C@H]1CC[C@H]([NH3+])[C@H](C2CC2)C1 87936587 572761088 /nfs/dbraw/zinc/76/10/88/572761088.db2.gz VSBULANJKSZRKP-SRVKXCTJSA-N 1 0 195.350 3.186 10 0 AGAERO CC[C@H]1CC[C@H](C[NH3+])[C@H]([C@@H](C)CC)C1 87945538 572761093 /nfs/dbraw/zinc/76/10/93/572761093.db2.gz DTPYRAPKBJJLBK-RVMXOQNASA-N 1 0 197.366 3.434 10 0 AGAERO CC[C@@H]1CCC[C@H]([C@@H](C)CC[NH2+]C)C1 87947823 572761099 /nfs/dbraw/zinc/76/10/99/572761099.db2.gz AJQDWCWFOCACBQ-XQQFMLRXSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@H]1CC[C@H]([NH3+])[C@H](C2CCCC2)C1 87936147 572761127 /nfs/dbraw/zinc/76/11/27/572761127.db2.gz KFBKZWVVFPCGMK-DRZSPHRISA-N 1 0 195.350 3.330 10 0 AGAERO CC(C)[C@H]1CC[C@@H](C[NH3+])[C@H](C2CC2)C1 87945898 572761166 /nfs/dbraw/zinc/76/11/66/572761166.db2.gz WUPGSIBGJKWMKO-AVGNSLFASA-N 1 0 195.350 3.044 10 0 AGAERO CCC[C@H]1C[C@H](C(C)C)CC[C@@H]1C[NH3+] 87945962 572761167 /nfs/dbraw/zinc/76/11/67/572761167.db2.gz HRGHSIAMQQISKA-FRRDWIJNSA-N 1 0 197.366 3.434 10 0 AGAERO C[NH2+]CC[C@H](C)[C@H]1CCC[C@@H](C)C1 87947691 572761171 /nfs/dbraw/zinc/76/11/71/572761171.db2.gz FFUOQNLEAJAMFS-WOPDTQHZSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)[C@H]1CC[C@H]([NH3+])[C@H](C(C)C)C1 87936491 572761173 /nfs/dbraw/zinc/76/11/73/572761173.db2.gz YKPYXKKGQMFPGP-SRVKXCTJSA-N 1 0 183.339 3.042 10 0 AGAERO CC[C@H]1CC[C@H]([NH3+])[C@H]([C@@H](C)CC)C1 87936199 572761174 /nfs/dbraw/zinc/76/11/74/572761174.db2.gz DRVGTKHTFNKUKE-BJDJZHNGSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@H]1CC[C@H](C[NH3+])[C@H](C(C)C)C1 87945868 572761183 /nfs/dbraw/zinc/76/11/83/572761183.db2.gz TUDWZFRCGQCEBX-XQQFMLRXSA-N 1 0 197.366 3.290 10 0 AGAERO CC[C@H]1CC[C@H](C[NH3+])[C@H](C(C)(C)C)C1 87945491 572761200 /nfs/dbraw/zinc/76/12/00/572761200.db2.gz FJTIAIWFTLBFDH-QJPTWQEYSA-N 1 0 197.366 3.434 10 0 AGAERO CCC(CC)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] 87944967 572761215 /nfs/dbraw/zinc/76/12/15/572761215.db2.gz KRRCJCUWVUGDPZ-RTXFEEFZSA-N 1 0 197.366 3.434 10 0 AGAERO CCCCCCC(C)(C)CC[NH3+] 87937319 572761218 /nfs/dbraw/zinc/76/12/18/572761218.db2.gz CDLHOCOJSGMFQX-UHFFFAOYSA-N 1 0 171.328 3.332 10 0 AGAERO CCC1CCC([C@H](C)CC[NH3+])CC1 87937019 572761226 /nfs/dbraw/zinc/76/12/26/572761226.db2.gz AXUMEXMIGLGKPN-VOMCLLRMSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] 87946251 572761227 /nfs/dbraw/zinc/76/12/27/572761227.db2.gz FKCCEMBDZYWFBY-TUAOUCFPSA-N 1 0 197.366 3.434 10 0 AGAERO C[C@@H]1CC([C@@H](C)CC[NH3+])C[C@H](C)C1 87937168 572761230 /nfs/dbraw/zinc/76/12/30/572761230.db2.gz GSUPIRAMUKQANN-PSIUFMSWSA-N 1 0 183.339 3.044 10 0 AGAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](C2CC2)C1 87945631 572761242 /nfs/dbraw/zinc/76/12/42/572761242.db2.gz RLNWBJNESHOZJZ-WXHSDQCUSA-N 1 0 195.350 3.188 10 0 AGAERO CC[C@H](C)[C@@H]1C[C@H](CC)CC[C@@H]1C[NH3+] 87945536 572761244 /nfs/dbraw/zinc/76/12/44/572761244.db2.gz DTPYRAPKBJJLBK-LOWDOPEQSA-N 1 0 197.366 3.434 10 0 AGAERO CC(C)CC[C@@H](C)CC[NH2+]C(C)C 87950128 572761637 /nfs/dbraw/zinc/76/16/37/572761637.db2.gz GMWCREHEGCQCFA-GFCCVEGCSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+]CC[C@H](C)C1CCC(C)CC1 87948116 572761651 /nfs/dbraw/zinc/76/16/51/572761651.db2.gz MONIGFVTGADGDO-CXQJBGSLSA-N 1 0 183.339 3.058 10 0 AGAERO CC[NH2+]CC[C@H](C)C[C@@H](C)CC 87948798 572763590 /nfs/dbraw/zinc/76/35/90/572763590.db2.gz RLIRVKIRLALBNT-QWRGUYRKSA-N 1 0 171.328 3.058 10 0 AGAERO CCC[NH2+]CC[C@H](C)[C@H](C)CC 87950069 572761684 /nfs/dbraw/zinc/76/16/84/572761684.db2.gz LSOZIBLMXRRDMN-MNOVXSKESA-N 1 0 171.328 3.058 10 0 AGAERO CCC[NH2+]CC[C@H](C)C[C@@H](C)CC 87949866 572761761 /nfs/dbraw/zinc/76/17/61/572761761.db2.gz IUAQWHFEADUBHQ-RYUDHWBXSA-N 1 0 185.355 3.448 10 0 AGAERO CCC[NH2+]CC[C@@H](C)C[C@@H](C)CC 87949865 572761767 /nfs/dbraw/zinc/76/17/67/572761767.db2.gz IUAQWHFEADUBHQ-NWDGAFQWSA-N 1 0 185.355 3.448 10 0 AGAERO CC[NH2+]CC[C@@H](C)CCC(C)C 87948574 572761800 /nfs/dbraw/zinc/76/18/00/572761800.db2.gz RJHSPDKWCSAUCD-NSHDSACASA-N 1 0 171.328 3.058 10 0 AGAERO C[NH2+]CC[C@H](C)C1C[C@H](C)C[C@@H](C)C1 87948329 572761805 /nfs/dbraw/zinc/76/18/05/572761805.db2.gz FTXSAPPPRJDTKU-UTUOFQBUSA-N 1 0 197.366 3.304 10 0 AGAERO CCC1CCC([C@@H](C)CC[NH2+]C)CC1 87948134 572761810 /nfs/dbraw/zinc/76/18/10/572761810.db2.gz ZSPPTGLVMHFVTJ-HIFPTAJRSA-N 1 0 197.366 3.448 10 0 AGAERO CCCC[C@H](C)CC[NH2+]C(C)C 87950255 572761814 /nfs/dbraw/zinc/76/18/14/572761814.db2.gz HRUCWOGOUALJSB-NSHDSACASA-N 1 0 171.328 3.201 10 0 AGAERO CCCCSc1cccc(C[NH3+])c1 85536693 572761823 /nfs/dbraw/zinc/76/18/23/572761823.db2.gz CWZJHHZSQGLNID-UHFFFAOYSA-N 1 0 195.331 3.038 10 0 AGAERO CC[NH2+]CC[C@@H](C)c1ccc(C)cc1 87949080 572761863 /nfs/dbraw/zinc/76/18/63/572761863.db2.gz GSPUYQBREPNAIA-GFCCVEGCSA-N 1 0 191.318 3.098 10 0 AGAERO C[C@H](CC[NH2+]C(C)(C)C)c1ccco1 87950747 572761877 /nfs/dbraw/zinc/76/18/77/572761877.db2.gz SKYBFXIIOAPZJG-SNVBAGLBSA-N 1 0 195.306 3.161 10 0 AGAERO C[C@@H](CC[NH2+]C(C)(C)C)c1ccco1 87950746 572761884 /nfs/dbraw/zinc/76/18/84/572761884.db2.gz SKYBFXIIOAPZJG-JTQLQIEISA-N 1 0 195.306 3.161 10 0 AGAERO C[C@@H](CC[NH2+]C1CC1)CC1CCCC1 87950519 572761888 /nfs/dbraw/zinc/76/18/88/572761888.db2.gz LOSZULHWADVHTJ-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H](C)C[C@@H](C)CC[NH2+]C(C)C 87950188 572761898 /nfs/dbraw/zinc/76/18/98/572761898.db2.gz CIAYGUSPFREQTD-NEPJUHHUSA-N 1 0 185.355 3.447 10 0 AGAERO CC(C)C[C@@H](C)CC[NH2+]C(C)C 87950136 572761922 /nfs/dbraw/zinc/76/19/22/572761922.db2.gz LYBCWFINLYWXIG-NSHDSACASA-N 1 0 171.328 3.057 10 0 AGAERO CC[NH2+]CC[C@@H](C)C[C@@H](C)CC 87948802 572761949 /nfs/dbraw/zinc/76/19/49/572761949.db2.gz RLIRVKIRLALBNT-WDEREUQCSA-N 1 0 171.328 3.058 10 0 AGAERO CC[C@@H]1CCC[C@@H]([C@@H](C)CC[NH2+]C)C1 87947829 572761958 /nfs/dbraw/zinc/76/19/58/572761958.db2.gz AJQDWCWFOCACBQ-YNEHKIRRSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@@H](C)C[C@H](C)CC[NH2+]C1CC1 87950477 572761984 /nfs/dbraw/zinc/76/19/84/572761984.db2.gz ZEXMVIBSNCOGOZ-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H](C)[C@@H](C)CC[NH2+]C(C)(C)C 87950821 572762014 /nfs/dbraw/zinc/76/20/14/572762014.db2.gz YBNWVOIPJOWPEG-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[NH2+]CC[C@H](C)c1cccs1 87949787 572762021 /nfs/dbraw/zinc/76/20/21/572762021.db2.gz AOCHSUCKGAILEP-JTQLQIEISA-N 1 0 197.347 3.241 10 0 AGAERO CC[C@H](C)Sc1cccc(C[NH3+])c1 85536802 572762024 /nfs/dbraw/zinc/76/20/24/572762024.db2.gz YEAFDVCWOYPBEC-VIFPVBQESA-N 1 0 195.331 3.036 10 0 AGAERO C[NH2+]C[C@@]1(CC2CCC2)CCC[C@H]1C 317370154 572762030 /nfs/dbraw/zinc/76/20/30/572762030.db2.gz ILUMVFFLVBORGA-YPMHNXCESA-N 1 0 195.350 3.202 10 0 AGAERO CC[NH2+]CC[C@H](C)C1CCCCC1 87948612 572762147 /nfs/dbraw/zinc/76/21/47/572762147.db2.gz LWUITRLMMSQSLA-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@@H]1CCCC[C@H]1[C@@H](C)CC[NH2+]C 87947935 572762158 /nfs/dbraw/zinc/76/21/58/572762158.db2.gz ZOVVJDBZWIHIGN-XQQFMLRXSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@H](C)C[C@@H](C)CC[NH2+]C1CC1 87950476 572762196 /nfs/dbraw/zinc/76/21/96/572762196.db2.gz ZEXMVIBSNCOGOZ-QWRGUYRKSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+]CC[C@@H](C)c1csc(C)c1 87948680 572762206 /nfs/dbraw/zinc/76/22/06/572762206.db2.gz KGUIHDIPHMXUPP-SECBINFHSA-N 1 0 197.347 3.160 10 0 AGAERO C[NH2+]CC[C@H](C)C1C[C@@H](C)C[C@@H](C)C1 87948324 572762212 /nfs/dbraw/zinc/76/22/12/572762212.db2.gz FTXSAPPPRJDTKU-FXJUQPSGSA-N 1 0 197.366 3.304 10 0 AGAERO CC[NH2+]CC[C@@H](C)C1CCCCC1 87948609 572762256 /nfs/dbraw/zinc/76/22/56/572762256.db2.gz LWUITRLMMSQSLA-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CC[NH2+]CC[C@H](C)c1sccc1C 87949304 572762280 /nfs/dbraw/zinc/76/22/80/572762280.db2.gz DMVWCHDZOBVCFA-VIFPVBQESA-N 1 0 197.347 3.160 10 0 AGAERO CCCCCC[C@@H](C)CC[NH2+]C 87948264 572762296 /nfs/dbraw/zinc/76/22/96/572762296.db2.gz ZREIZFMAUIZLSA-LLVKDONJSA-N 1 0 171.328 3.202 10 0 AGAERO CC(C)C[NH2+]CC[C@H](C)CC(C)C 87950860 572762303 /nfs/dbraw/zinc/76/23/03/572762303.db2.gz MTASKTIILJKAJP-LBPRGKRZSA-N 1 0 185.355 3.304 10 0 AGAERO CCC1CCC([C@H](C)CC[NH2+]C)CC1 87948136 572762356 /nfs/dbraw/zinc/76/23/56/572762356.db2.gz ZSPPTGLVMHFVTJ-PNESKVBLSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[NH2+]CC[C@H](C)[C@@H](C)CC 87950067 572762362 /nfs/dbraw/zinc/76/23/62/572762362.db2.gz LSOZIBLMXRRDMN-QWRGUYRKSA-N 1 0 171.328 3.058 10 0 AGAERO CC[C@H](C)[C@H](C)CC[NH2+]C(C)C 87950371 572762374 /nfs/dbraw/zinc/76/23/74/572762374.db2.gz TWDYIYUZHQUNMF-WDEREUQCSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[NH2+]CC[C@@H](C)C[C@H](C)CC 87949867 572762393 /nfs/dbraw/zinc/76/23/93/572762393.db2.gz IUAQWHFEADUBHQ-VXGBXAGGSA-N 1 0 185.355 3.448 10 0 AGAERO CC[NH2+]CC[C@@H](C)CCC(C)(C)C 87948777 572762433 /nfs/dbraw/zinc/76/24/33/572762433.db2.gz LMZXKXFUNMAUJG-NSHDSACASA-N 1 0 185.355 3.448 10 0 AGAERO CC(C)[NH2+]CC[C@H](C)C1CCCC1 87950301 572762445 /nfs/dbraw/zinc/76/24/45/572762445.db2.gz CHMMQXZRPPVVPT-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)[NH2+]CC[C@H](C)c1ccsc1 87950380 572762547 /nfs/dbraw/zinc/76/25/47/572762547.db2.gz LOZLYIAIVUTVEG-JTQLQIEISA-N 1 0 197.347 3.240 10 0 AGAERO CC[C@@H](C)C[C@H](C)CC[NH2+]C(C)C 87950190 572762580 /nfs/dbraw/zinc/76/25/80/572762580.db2.gz CIAYGUSPFREQTD-VXGBXAGGSA-N 1 0 185.355 3.447 10 0 AGAERO CC(C)[NH2+]CC[C@@H](C)c1ccsc1 87950379 572762585 /nfs/dbraw/zinc/76/25/85/572762585.db2.gz LOZLYIAIVUTVEG-SNVBAGLBSA-N 1 0 197.347 3.240 10 0 AGAERO CCC[NH2+]CC[C@@H](C)[C@@H](C)CC 87950066 572762601 /nfs/dbraw/zinc/76/26/01/572762601.db2.gz LSOZIBLMXRRDMN-WDEREUQCSA-N 1 0 171.328 3.058 10 0 AGAERO CCC[NH2+]CC[C@H](C)CC(C)C 87949768 572762612 /nfs/dbraw/zinc/76/26/12/572762612.db2.gz JGWIXXHBNYKHRM-NSHDSACASA-N 1 0 171.328 3.058 10 0 AGAERO CC[NH2+]CC[C@@H](C)CC1CCCC1 87948958 572762616 /nfs/dbraw/zinc/76/26/16/572762616.db2.gz KOXWVIWAISJHNB-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@H]1CCCC[C@@H]1[C@@H](C)CC[NH2+]C 87947933 572762639 /nfs/dbraw/zinc/76/26/39/572762639.db2.gz ZOVVJDBZWIHIGN-RWMBFGLXSA-N 1 0 197.366 3.448 10 0 AGAERO CCCCCC[C@H](C)CC[NH2+]C 87948266 572762660 /nfs/dbraw/zinc/76/26/60/572762660.db2.gz ZREIZFMAUIZLSA-NSHDSACASA-N 1 0 171.328 3.202 10 0 AGAERO CC[NH2+]CC[C@H](C)CCC(C)(C)C 87948779 572762671 /nfs/dbraw/zinc/76/26/71/572762671.db2.gz LMZXKXFUNMAUJG-LLVKDONJSA-N 1 0 185.355 3.448 10 0 AGAERO CCC[NH2+]CC[C@H](C)C(CC)CC 87950055 572762691 /nfs/dbraw/zinc/76/26/91/572762691.db2.gz UOKFXAHXBVMEPW-NSHDSACASA-N 1 0 185.355 3.448 10 0 AGAERO CC(C)CC[C@H](C)CC[NH2+]C(C)C 87950129 572762696 /nfs/dbraw/zinc/76/26/96/572762696.db2.gz GMWCREHEGCQCFA-LBPRGKRZSA-N 1 0 185.355 3.447 10 0 AGAERO C/C(=C\CCC(C)(C)C)[C@@H](C)[NH3+] 308121204 572762699 /nfs/dbraw/zinc/76/26/99/572762699.db2.gz QDNVEIHCUCBOPZ-TTZKWOQHSA-N 1 0 169.312 3.106 10 0 AGAERO CC[NH2+]CC[C@H](C)C(CC)CC 87949405 572762709 /nfs/dbraw/zinc/76/27/09/572762709.db2.gz FKRFKKXQZPHOKC-JTQLQIEISA-N 1 0 171.328 3.058 10 0 AGAERO CC[NH2+]CC[C@@H](C)c1cccc(C)c1 87949282 572762743 /nfs/dbraw/zinc/76/27/43/572762743.db2.gz PVSQHYRKJALMRM-GFCCVEGCSA-N 1 0 191.318 3.098 10 0 AGAERO CC[NH2+]CC[C@@H](C)c1sccc1C 87949302 572762750 /nfs/dbraw/zinc/76/27/50/572762750.db2.gz DMVWCHDZOBVCFA-SECBINFHSA-N 1 0 197.347 3.160 10 0 AGAERO CC[C@H](C)C[C@H](C)CC[NH2+]C1CC1 87950478 572762756 /nfs/dbraw/zinc/76/27/56/572762756.db2.gz ZEXMVIBSNCOGOZ-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+]CC[C@H](C)c1cccc(C)c1 87949284 572762801 /nfs/dbraw/zinc/76/28/01/572762801.db2.gz PVSQHYRKJALMRM-LBPRGKRZSA-N 1 0 191.318 3.098 10 0 AGAERO CC[C@H](C)[C@@H](C)CC[NH2+]C(C)C 87950369 572762892 /nfs/dbraw/zinc/76/28/92/572762892.db2.gz TWDYIYUZHQUNMF-QWRGUYRKSA-N 1 0 171.328 3.057 10 0 AGAERO CC(C)C[NH2+]CC[C@@H](C)CC(C)C 87950861 572762873 /nfs/dbraw/zinc/76/28/73/572762873.db2.gz MTASKTIILJKAJP-GFCCVEGCSA-N 1 0 185.355 3.304 10 0 AGAERO CCC[C@@H](C)C[C@H](C)CC[NH2+]CC 87948919 572762877 /nfs/dbraw/zinc/76/28/77/572762877.db2.gz ULBRNAOOBGQOSO-VXGBXAGGSA-N 1 0 185.355 3.448 10 0 AGAERO CC[NH2+]CC[C@@H](C)C(CC)CC 87949406 572762977 /nfs/dbraw/zinc/76/29/77/572762977.db2.gz FKRFKKXQZPHOKC-SNVBAGLBSA-N 1 0 171.328 3.058 10 0 AGAERO CC[NH2+]CC[C@@H](C)c1ccccc1C 87949035 572762990 /nfs/dbraw/zinc/76/29/90/572762990.db2.gz UQTBSBXWMZACIM-GFCCVEGCSA-N 1 0 191.318 3.098 10 0 AGAERO CC[C@H]1CCCC[C@H]1[C@@H](C)CC[NH2+]C 87947937 572762998 /nfs/dbraw/zinc/76/29/98/572762998.db2.gz ZOVVJDBZWIHIGN-AVGNSLFASA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]CC[C@H](C)C[C@H](C)CC 87948796 572763008 /nfs/dbraw/zinc/76/30/08/572763008.db2.gz RLIRVKIRLALBNT-MNOVXSKESA-N 1 0 171.328 3.058 10 0 AGAERO CCCCC[C@H](C)CC[NH2+]CC 87948587 572763014 /nfs/dbraw/zinc/76/30/14/572763014.db2.gz LFEBKILNHKCJMG-NSHDSACASA-N 1 0 171.328 3.202 10 0 AGAERO CCC[C@@H](C)C[C@@H](C)CC[NH2+]CC 87948916 572763087 /nfs/dbraw/zinc/76/30/87/572763087.db2.gz ULBRNAOOBGQOSO-NEPJUHHUSA-N 1 0 185.355 3.448 10 0 AGAERO CCC[NH2+]CC[C@H](C)C1CCCC1 87949999 572763091 /nfs/dbraw/zinc/76/30/91/572763091.db2.gz JHCKVKDIDDGESA-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO C[C@H](CC[NH2+]C1CC1)C1CCCCC1 87950438 572763100 /nfs/dbraw/zinc/76/31/00/572763100.db2.gz GHGOONYBPWLXTL-LLVKDONJSA-N 1 0 195.350 3.345 10 0 AGAERO C[NH2+]CC[C@H](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 87948104 572763068 /nfs/dbraw/zinc/76/30/68/572763068.db2.gz LRXDAGDMZYQAFJ-MROQNXINSA-N 1 0 197.366 3.304 10 0 AGAERO C[NH2+]CC[C@@H](C)C1CCC(C)CC1 87948121 572763134 /nfs/dbraw/zinc/76/31/34/572763134.db2.gz MONIGFVTGADGDO-MOENNCHZSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)C[C@@H](C)CC[NH2+]C(C)(C)C 87950684 572763184 /nfs/dbraw/zinc/76/31/84/572763184.db2.gz BDQIWSBYGQSXIL-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+]CC[C@H](C)c1ccc(C)cc1 87949082 572763248 /nfs/dbraw/zinc/76/32/48/572763248.db2.gz GSPUYQBREPNAIA-LBPRGKRZSA-N 1 0 191.318 3.098 10 0 AGAERO CCC[NH2+]CC[C@H](C)C[C@H](C)CC 87949868 572763265 /nfs/dbraw/zinc/76/32/65/572763265.db2.gz IUAQWHFEADUBHQ-NEPJUHHUSA-N 1 0 185.355 3.448 10 0 AGAERO C[NH2+]CC[C@H](C)CC1CCCCC1 87947961 572763285 /nfs/dbraw/zinc/76/32/85/572763285.db2.gz GIOOIXGMAFQCFO-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CCC[NH2+]CC[C@@H](C)C1CCCC1 87949998 572763316 /nfs/dbraw/zinc/76/33/16/572763316.db2.gz JHCKVKDIDDGESA-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CC[NH2+]CC[C@H](C)CC1CCCC1 87948960 572763361 /nfs/dbraw/zinc/76/33/61/572763361.db2.gz KOXWVIWAISJHNB-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CCCC[C@H](C)CC[NH2+]CC(C)C 87950937 572766024 /nfs/dbraw/zinc/76/60/24/572766024.db2.gz HZKZFYHCFHNQLF-LBPRGKRZSA-N 1 0 185.355 3.448 10 0 AGAERO CCC[C@H](C)C[C@@H](C)CC[NH2+]CC 87948917 572763393 /nfs/dbraw/zinc/76/33/93/572763393.db2.gz ULBRNAOOBGQOSO-RYUDHWBXSA-N 1 0 185.355 3.448 10 0 AGAERO CC[NH2+]CC[C@H](C)c1csc(C)c1 87948682 572763414 /nfs/dbraw/zinc/76/34/14/572763414.db2.gz KGUIHDIPHMXUPP-VIFPVBQESA-N 1 0 197.347 3.160 10 0 AGAERO CC(C)C[NH2+]CC[C@@H](C)c1ccoc1 87950954 572766371 /nfs/dbraw/zinc/76/63/71/572766371.db2.gz LYIXTQBDXYWSLD-LLVKDONJSA-N 1 0 195.306 3.019 10 0 AGAERO CCC[NH2+]CC[C@@H](C)C(CC)CC 87950054 572763475 /nfs/dbraw/zinc/76/34/75/572763475.db2.gz UOKFXAHXBVMEPW-LLVKDONJSA-N 1 0 185.355 3.448 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[C@@H](C)CC[NH2+]C 87947931 572763933 /nfs/dbraw/zinc/76/39/33/572763933.db2.gz ZOVVJDBZWIHIGN-YNEHKIRRSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[NH2+]CC[C@H](C)c1ccsc1 87950079 572763504 /nfs/dbraw/zinc/76/35/04/572763504.db2.gz GJMKNMSYTCOWSP-JTQLQIEISA-N 1 0 197.347 3.241 10 0 AGAERO C[NH2+]CC[C@H](C)[C@H]1CC[C@@H](C)[C@@H](C)C1 87948101 572763617 /nfs/dbraw/zinc/76/36/17/572763617.db2.gz LRXDAGDMZYQAFJ-VOAKCMCISA-N 1 0 197.366 3.304 10 0 AGAERO CC[C@H]1CCC[C@@H]([C@@H](C)CC[NH2+]C)C1 87947832 572763658 /nfs/dbraw/zinc/76/36/58/572763658.db2.gz AJQDWCWFOCACBQ-RWMBFGLXSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@@H](C)[C@H](C)CC[NH2+]C(C)(C)C 87950822 572763780 /nfs/dbraw/zinc/76/37/80/572763780.db2.gz YBNWVOIPJOWPEG-GHMZBOCLSA-N 1 0 185.355 3.447 10 0 AGAERO C/C(=C/CCC(C)(C)C)[C@@H](C)[NH3+] 308121205 572763787 /nfs/dbraw/zinc/76/37/87/572763787.db2.gz QDNVEIHCUCBOPZ-UJICNMFASA-N 1 0 169.312 3.106 10 0 AGAERO CCC(CC)[C@H](C)CC[NH2+]C(C)C 87950357 572763810 /nfs/dbraw/zinc/76/38/10/572763810.db2.gz FZWLDDDAJKXYLZ-LLVKDONJSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@H](C)C[C@H](C)CC[NH2+]CC 87948920 572763815 /nfs/dbraw/zinc/76/38/15/572763815.db2.gz ULBRNAOOBGQOSO-NWDGAFQWSA-N 1 0 185.355 3.448 10 0 AGAERO CC[C@H](C)C[C@H](C)CC[NH2+]C(C)C 87950191 572763832 /nfs/dbraw/zinc/76/38/32/572763832.db2.gz CIAYGUSPFREQTD-NWDGAFQWSA-N 1 0 185.355 3.447 10 0 AGAERO C[C@@H](CC[NH2+]C(C)(C)C)c1ccoc1 87950776 572763843 /nfs/dbraw/zinc/76/38/43/572763843.db2.gz PWCHKOGUQNOXBB-JTQLQIEISA-N 1 0 195.306 3.161 10 0 AGAERO CCC(CC)[C@H](C)CC[NH2+]C1CC1 87950616 572763873 /nfs/dbraw/zinc/76/38/73/572763873.db2.gz ZBCFEHBFTZHGSF-SNVBAGLBSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[NH2+]CC[C@H](C)CCC(C)C 87949752 572763883 /nfs/dbraw/zinc/76/38/83/572763883.db2.gz RBKRSPMRSHWJQL-GFCCVEGCSA-N 1 0 185.355 3.448 10 0 AGAERO C[C@@H](CC[NH2+]C1CC1)C1CCCCC1 87950437 572763910 /nfs/dbraw/zinc/76/39/10/572763910.db2.gz GHGOONYBPWLXTL-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H](C)[C@H](C)CC[NH2+]C(C)C 87950370 572763946 /nfs/dbraw/zinc/76/39/46/572763946.db2.gz TWDYIYUZHQUNMF-GHMZBOCLSA-N 1 0 171.328 3.057 10 0 AGAERO CCC(CC)[C@@H](C)CC[NH2+]C(C)C 87950356 572764048 /nfs/dbraw/zinc/76/40/48/572764048.db2.gz FZWLDDDAJKXYLZ-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CC(C)CC[C@H](C)CC[NH2+]C1CC1 87950430 572763975 /nfs/dbraw/zinc/76/39/75/572763975.db2.gz MNVLFUFFNSKBCS-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H](C)C[C@@H](C)CC[NH2+]C(C)C 87950189 572763986 /nfs/dbraw/zinc/76/39/86/572763986.db2.gz CIAYGUSPFREQTD-RYUDHWBXSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+]CC[C@@H](C)CC1CCCCC1 87947963 572764002 /nfs/dbraw/zinc/76/40/02/572764002.db2.gz GIOOIXGMAFQCFO-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CC[NH2+]CC[C@H](C)CCC(C)C 87948577 572764042 /nfs/dbraw/zinc/76/40/42/572764042.db2.gz RJHSPDKWCSAUCD-LLVKDONJSA-N 1 0 171.328 3.058 10 0 AGAERO CC[C@@H](C)C[C@@H](C)CC[NH2+]C1CC1 87950475 572764054 /nfs/dbraw/zinc/76/40/54/572764054.db2.gz ZEXMVIBSNCOGOZ-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO C/C(=C\CCC(C)(C)C)[C@H](C)[NH3+] 308121202 572764078 /nfs/dbraw/zinc/76/40/78/572764078.db2.gz QDNVEIHCUCBOPZ-PCYYEKQGSA-N 1 0 169.312 3.106 10 0 AGAERO CCC[NH2+]CC[C@@H](C)CCC(C)C 87949750 572764172 /nfs/dbraw/zinc/76/41/72/572764172.db2.gz RBKRSPMRSHWJQL-LBPRGKRZSA-N 1 0 185.355 3.448 10 0 AGAERO CC[NH+](CC)C1(C)CCC(C)CC1 713501396 572764179 /nfs/dbraw/zinc/76/41/79/572764179.db2.gz QQMWTSCLBKLLAN-UHFFFAOYSA-N 1 0 183.339 3.297 10 0 AGAERO CC(C)CC[C@@H](C)CC[NH2+]C1CC1 87950429 572764195 /nfs/dbraw/zinc/76/41/95/572764195.db2.gz MNVLFUFFNSKBCS-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H](C)[C@@H](C)CC[NH2+]C(C)(C)C 87950820 572764283 /nfs/dbraw/zinc/76/42/83/572764283.db2.gz YBNWVOIPJOWPEG-MNOVXSKESA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+]CC[C@@H](C)c1ccc(C)s1 87949298 572764288 /nfs/dbraw/zinc/76/42/88/572764288.db2.gz FNJLASYWZNEOMX-SECBINFHSA-N 1 0 197.347 3.160 10 0 AGAERO CC(C)[NH2+]CC[C@@H](C)C1CCCC1 87950300 572764296 /nfs/dbraw/zinc/76/42/96/572764296.db2.gz CHMMQXZRPPVVPT-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+]CC[C@H](C)C1CCC(C)CC1 87949246 572764320 /nfs/dbraw/zinc/76/43/20/572764320.db2.gz KCNHNVFFJBATNT-CPCZMJQVSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)[NH2+]CC[C@H](C)c1cccs1 87950147 572764337 /nfs/dbraw/zinc/76/43/37/572764337.db2.gz XWZCAHMTWCICRV-JTQLQIEISA-N 1 0 197.347 3.240 10 0 AGAERO CC[NH2+]CC[C@@H](C)C[C@H](C)CC 87948800 572764383 /nfs/dbraw/zinc/76/43/83/572764383.db2.gz RLIRVKIRLALBNT-GHMZBOCLSA-N 1 0 171.328 3.058 10 0 AGAERO CC[NH2+]CC[C@H](C)c1ccccc1C 87949037 572764393 /nfs/dbraw/zinc/76/43/93/572764393.db2.gz UQTBSBXWMZACIM-LBPRGKRZSA-N 1 0 191.318 3.098 10 0 AGAERO CC(C)C[C@H](C)CC[NH2+]C(C)C 87950137 572764408 /nfs/dbraw/zinc/76/44/08/572764408.db2.gz LYBCWFINLYWXIG-LLVKDONJSA-N 1 0 171.328 3.057 10 0 AGAERO CC[C@H](C)[C@H](C)CC[NH2+]C(C)(C)C 87950823 572764409 /nfs/dbraw/zinc/76/44/09/572764409.db2.gz YBNWVOIPJOWPEG-WDEREUQCSA-N 1 0 185.355 3.447 10 0 AGAERO CCCCC[C@@H](C)CC[NH2+]CC 87948585 572764429 /nfs/dbraw/zinc/76/44/29/572764429.db2.gz LFEBKILNHKCJMG-LLVKDONJSA-N 1 0 171.328 3.202 10 0 AGAERO CC[NH2+]CC[C@@H](C)C1CCC(C)CC1 87949245 572764440 /nfs/dbraw/zinc/76/44/40/572764440.db2.gz KCNHNVFFJBATNT-OTTFEQOBSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)[NH2+]CC[C@@H](C)c1cccs1 87950146 572764444 /nfs/dbraw/zinc/76/44/44/572764444.db2.gz XWZCAHMTWCICRV-SNVBAGLBSA-N 1 0 197.347 3.240 10 0 AGAERO CCCCC[C@H](C)CC[NH2+]C1CC1 87950434 572764450 /nfs/dbraw/zinc/76/44/50/572764450.db2.gz OPYPWZUCNZPCEN-NSHDSACASA-N 1 0 183.339 3.345 10 0 AGAERO CC[NH2+]CC[C@H](C)c1ccc(C)s1 87949300 572764454 /nfs/dbraw/zinc/76/44/54/572764454.db2.gz FNJLASYWZNEOMX-VIFPVBQESA-N 1 0 197.347 3.160 10 0 AGAERO CCCCC[C@@H](C)CC[NH2+]C1CC1 87950433 572764507 /nfs/dbraw/zinc/76/45/07/572764507.db2.gz OPYPWZUCNZPCEN-LLVKDONJSA-N 1 0 183.339 3.345 10 0 AGAERO C/C(=C/CCC(C)(C)C)[C@H](C)[NH3+] 308121203 572764539 /nfs/dbraw/zinc/76/45/39/572764539.db2.gz QDNVEIHCUCBOPZ-RNKPRXRFSA-N 1 0 169.312 3.106 10 0 AGAERO CC(C)C[C@H](C)CC[NH2+]C(C)(C)C 87950685 572764522 /nfs/dbraw/zinc/76/45/22/572764522.db2.gz BDQIWSBYGQSXIL-LLVKDONJSA-N 1 0 185.355 3.447 10 0 AGAERO C[C@H](CC[NH2+]C1CC1)CC1CCCC1 87950520 572764524 /nfs/dbraw/zinc/76/45/24/572764524.db2.gz LOSZULHWADVHTJ-LLVKDONJSA-N 1 0 195.350 3.345 10 0 AGAERO C[C@H](CC[NH2+]C(C)(C)C)c1ccoc1 87950777 572764530 /nfs/dbraw/zinc/76/45/30/572764530.db2.gz PWCHKOGUQNOXBB-SNVBAGLBSA-N 1 0 195.306 3.161 10 0 AGAERO CCC(CC)[C@@H](C)CC[NH2+]C1CC1 87950615 572764533 /nfs/dbraw/zinc/76/45/33/572764533.db2.gz ZBCFEHBFTZHGSF-JTQLQIEISA-N 1 0 183.339 3.201 10 0 AGAERO C/C(=C\Cl)C[NH2+]C[C@H]1CC=CCC1 308112017 572764545 /nfs/dbraw/zinc/76/45/45/572764545.db2.gz PFVWUUSGTWTNBV-HUYFXPKMSA-N 1 0 199.725 3.075 10 0 AGAERO CCC[NH2+]CC[C@@H](C)c1cccs1 87949785 572764557 /nfs/dbraw/zinc/76/45/57/572764557.db2.gz AOCHSUCKGAILEP-SNVBAGLBSA-N 1 0 197.347 3.241 10 0 AGAERO CCC[NH2+]C[C@@H](C)[C@@H](C)c1ccco1 87952511 572766657 /nfs/dbraw/zinc/76/66/57/572766657.db2.gz DUVNETXOSWXBMB-GHMZBOCLSA-N 1 0 195.306 3.019 10 0 AGAERO C/C(=C\Cl)C[NH2+]C[C@@H]1CC=CCC1 308112019 572764765 /nfs/dbraw/zinc/76/47/65/572764765.db2.gz PFVWUUSGTWTNBV-PFEDMVJOSA-N 1 0 199.725 3.075 10 0 AGAERO CC[NH2+]C[C@H](C)[C@H](C)CCC(C)C 87951806 572764974 /nfs/dbraw/zinc/76/49/74/572764974.db2.gz HBPWQDIRTKPJSY-NEPJUHHUSA-N 1 0 185.355 3.304 10 0 AGAERO CCCCCC[C@@H](C)[C@@H](C)C[NH2+]C 87951608 572766668 /nfs/dbraw/zinc/76/66/68/572766668.db2.gz YPVXASKAUQKLGT-NEPJUHHUSA-N 1 0 185.355 3.448 10 0 AGAERO CC[C@@H](C)Sc1cccc(C[NH3+])c1 85536801 572765054 /nfs/dbraw/zinc/76/50/54/572765054.db2.gz YEAFDVCWOYPBEC-SECBINFHSA-N 1 0 195.331 3.036 10 0 AGAERO CCC[C@H](C)C[C@@H](C)[C@@H](C)C[NH2+]C 87951261 572765061 /nfs/dbraw/zinc/76/50/61/572765061.db2.gz IJKDMYZUSOKGIT-TUAOUCFPSA-N 1 0 185.355 3.304 10 0 AGAERO CCC[NH2+]C[C@@H](C)[C@@H](C)C1CCCC1 87952599 572765080 /nfs/dbraw/zinc/76/50/80/572765080.db2.gz WJSNBCMSSBGETP-VXGBXAGGSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)C[NH2+]CC[C@@H](C)c1ccco1 87950924 572765090 /nfs/dbraw/zinc/76/50/90/572765090.db2.gz DIEUYEDUYKHGOZ-LLVKDONJSA-N 1 0 195.306 3.019 10 0 AGAERO CCCC[C@H](C)[C@@H](C)C[NH2+]CC 87952044 572765093 /nfs/dbraw/zinc/76/50/93/572765093.db2.gz AMWUMXUMNMCUBV-QWRGUYRKSA-N 1 0 171.328 3.058 10 0 AGAERO CC[NH2+]C[C@H](C)[C@@H](C)C[C@@H](C)CC 87951930 572765098 /nfs/dbraw/zinc/76/50/98/572765098.db2.gz UEHMAHYVFWXEDD-SRVKXCTJSA-N 1 0 185.355 3.304 10 0 AGAERO CC[NH2+]C[C@H](C)[C@H](C)C1CCCC1 87952142 572765103 /nfs/dbraw/zinc/76/51/03/572765103.db2.gz SGAOVPOHYQQSQO-QWRGUYRKSA-N 1 0 183.339 3.058 10 0 AGAERO CC[NH2+]C[C@H](C)[C@@H](C)c1cccs1 87951840 572765115 /nfs/dbraw/zinc/76/51/15/572765115.db2.gz RFILJNNAJGXHRF-VHSXEESVSA-N 1 0 197.347 3.097 10 0 AGAERO C[NH2+]C[C@@H](C)[C@@H](C)c1ccc(C)s1 87951559 572765125 /nfs/dbraw/zinc/76/51/25/572765125.db2.gz PFVBOWKIFPMJRL-PSASIEDQSA-N 1 0 197.347 3.016 10 0 AGAERO CC[NH2+]C[C@H](C)[C@@H](C)C1CCCCC1 87951824 572766671 /nfs/dbraw/zinc/76/66/71/572766671.db2.gz HOZFJKSELRJHAT-NWDGAFQWSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@@H](C)C[C@@H](C)[C@@H](C)C[NH2+]C 87951260 572765142 /nfs/dbraw/zinc/76/51/42/572765142.db2.gz IJKDMYZUSOKGIT-UTUOFQBUSA-N 1 0 185.355 3.304 10 0 AGAERO CCC[NH2+]C[C@H](C)[C@H](C)[C@@H](C)CC 87952678 572765147 /nfs/dbraw/zinc/76/51/47/572765147.db2.gz YIHZWWBDBZKNFB-SDDRHHMPSA-N 1 0 185.355 3.304 10 0 AGAERO CCCCC[C@H](C)[C@@H](C)C[NH2+]CC 87951812 572765155 /nfs/dbraw/zinc/76/51/55/572765155.db2.gz ALTGBXHCAMJXOO-RYUDHWBXSA-N 1 0 185.355 3.448 10 0 AGAERO C[NH2+]C[C@H](C)[C@@H](C)c1csc(C)c1 87951125 572765159 /nfs/dbraw/zinc/76/51/59/572765159.db2.gz YJJNMGMVIBGFMH-WCBMZHEXSA-N 1 0 197.347 3.016 10 0 AGAERO CC[NH2+]C[C@H](C)[C@H](C)c1ccccc1 87952114 572765178 /nfs/dbraw/zinc/76/51/78/572765178.db2.gz WRISBOCVAHAOEJ-RYUDHWBXSA-N 1 0 191.318 3.036 10 0 AGAERO C[NH2+]C[C@@H](C)[C@H](C)CC1CCCC1 87951299 572765180 /nfs/dbraw/zinc/76/51/80/572765180.db2.gz IUNYCJBOARZGQZ-GHMZBOCLSA-N 1 0 183.339 3.058 10 0 AGAERO CC[NH2+]C[C@H](C)[C@H](C)C[C@@H](C)CC 87951928 572765184 /nfs/dbraw/zinc/76/51/84/572765184.db2.gz UEHMAHYVFWXEDD-TUAOUCFPSA-N 1 0 185.355 3.304 10 0 AGAERO C[NH2+]C[C@@H](C)[C@@H](C)CCC(C)(C)C 87951170 572765195 /nfs/dbraw/zinc/76/51/95/572765195.db2.gz PQHDHKHDODBJFM-WDEREUQCSA-N 1 0 185.355 3.304 10 0 AGAERO CCC[NH2+]C[C@@H](C)[C@H](C)c1ccoc1 87952585 572765201 /nfs/dbraw/zinc/76/52/01/572765201.db2.gz UFVUFXAAGHEKFQ-MNOVXSKESA-N 1 0 195.306 3.019 10 0 AGAERO CC[NH2+]C[C@@H](C)[C@@H](C)C(CC)CC 87952250 572765221 /nfs/dbraw/zinc/76/52/21/572765221.db2.gz ZVKXLEBGUIHXNO-GHMZBOCLSA-N 1 0 185.355 3.304 10 0 AGAERO C[NH2+]C[C@@H](C)[C@H](C)C1CCC(C)CC1 87951514 572765249 /nfs/dbraw/zinc/76/52/49/572765249.db2.gz FMPDXBUEAASBID-QBHFIFKDSA-N 1 0 197.366 3.304 10 0 AGAERO CCC[NH2+]C[C@H](C)[C@@H](C)CC(C)C 87952396 572765258 /nfs/dbraw/zinc/76/52/58/572765258.db2.gz JICGFSYTKCFSPI-RYUDHWBXSA-N 1 0 185.355 3.304 10 0 AGAERO CC[C@@H](C)[C@H](C)CC[NH2+]CC(C)C 87951000 572765267 /nfs/dbraw/zinc/76/52/67/572765267.db2.gz AJGNSNJAXNNYRC-VXGBXAGGSA-N 1 0 185.355 3.304 10 0 AGAERO C[NH2+]C[C@H](C)[C@@H](C)c1sccc1C 87951561 572765273 /nfs/dbraw/zinc/76/52/73/572765273.db2.gz WOWBXYNFFZSPPT-VHSXEESVSA-N 1 0 197.347 3.016 10 0 AGAERO CC[NH2+]C[C@@H](C)[C@H](C)C1CCCCC1 87951825 572765274 /nfs/dbraw/zinc/76/52/74/572765274.db2.gz HOZFJKSELRJHAT-NEPJUHHUSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[NH2+]C[C@@H](C)[C@H](C)C1CCCC1 87952601 572765286 /nfs/dbraw/zinc/76/52/86/572765286.db2.gz WJSNBCMSSBGETP-NEPJUHHUSA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]C[C@H](C)[C@@H](C)c1ccsc1 87952288 572765302 /nfs/dbraw/zinc/76/53/02/572765302.db2.gz RXAGMRQRCBMOMK-VHSXEESVSA-N 1 0 197.347 3.097 10 0 AGAERO CCC[NH2+]C[C@H](C)[C@@H](C)c1ccoc1 87952584 572765340 /nfs/dbraw/zinc/76/53/40/572765340.db2.gz UFVUFXAAGHEKFQ-WDEREUQCSA-N 1 0 195.306 3.019 10 0 AGAERO CC[NH2+]C[C@H](C)[C@H](C)C1CCCCC1 87951826 572765359 /nfs/dbraw/zinc/76/53/59/572765359.db2.gz HOZFJKSELRJHAT-RYUDHWBXSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)C[C@@H](C)[C@@H](C)C[NH2+]C(C)C 87952751 572765771 /nfs/dbraw/zinc/76/57/71/572765771.db2.gz OIOQTNOAKFFXEM-NEPJUHHUSA-N 1 0 185.355 3.303 10 0 AGAERO CCC[NH2+]C[C@@H](C)[C@@H](C)CC(C)C 87952395 572765407 /nfs/dbraw/zinc/76/54/07/572765407.db2.gz JICGFSYTKCFSPI-NWDGAFQWSA-N 1 0 185.355 3.304 10 0 AGAERO CCCC[C@@H](C)[C@@H](C)C[NH2+]CC 87952043 572765450 /nfs/dbraw/zinc/76/54/50/572765450.db2.gz AMWUMXUMNMCUBV-MNOVXSKESA-N 1 0 171.328 3.058 10 0 AGAERO CC(C)C[NH2+]CC[C@H](C)c1ccoc1 87950955 572765470 /nfs/dbraw/zinc/76/54/70/572765470.db2.gz LYIXTQBDXYWSLD-NSHDSACASA-N 1 0 195.306 3.019 10 0 AGAERO CCC[NH2+]C[C@H](C)[C@H](C)c1ccco1 87952514 572766676 /nfs/dbraw/zinc/76/66/76/572766676.db2.gz DUVNETXOSWXBMB-QWRGUYRKSA-N 1 0 195.306 3.019 10 0 AGAERO CCCCC[C@@H](C)[C@H](C)C[NH2+]C 87951050 572765486 /nfs/dbraw/zinc/76/54/86/572765486.db2.gz SHAOFQGZZXZRGC-GHMZBOCLSA-N 1 0 171.328 3.058 10 0 AGAERO CC[NH2+]C[C@@H](C)[C@H](C)c1ccsc1 87952289 572765503 /nfs/dbraw/zinc/76/55/03/572765503.db2.gz RXAGMRQRCBMOMK-ZJUUUORDSA-N 1 0 197.347 3.097 10 0 AGAERO CCCCC[C@H](C)[C@H](C)C[NH2+]C 87951051 572766680 /nfs/dbraw/zinc/76/66/80/572766680.db2.gz SHAOFQGZZXZRGC-WDEREUQCSA-N 1 0 171.328 3.058 10 0 AGAERO CC[NH2+]C[C@H](C)[C@@H](C)C1CCCC1 87952140 572765527 /nfs/dbraw/zinc/76/55/27/572765527.db2.gz SGAOVPOHYQQSQO-WDEREUQCSA-N 1 0 183.339 3.058 10 0 AGAERO CCC[NH2+]C[C@H](C)[C@@H](C)C(C)(C)C 87952656 572765543 /nfs/dbraw/zinc/76/55/43/572765543.db2.gz HJXOPGPHTPSMRI-WDEREUQCSA-N 1 0 185.355 3.304 10 0 AGAERO CCCCC[C@H](C)[C@@H](C)C[NH2+]C 87951049 572765549 /nfs/dbraw/zinc/76/55/49/572765549.db2.gz SHAOFQGZZXZRGC-QWRGUYRKSA-N 1 0 171.328 3.058 10 0 AGAERO C[NH2+]C[C@H](C)[C@H](C)c1ccc(C)s1 87951556 572765562 /nfs/dbraw/zinc/76/55/62/572765562.db2.gz PFVBOWKIFPMJRL-WPRPVWTQSA-N 1 0 197.347 3.016 10 0 AGAERO C[NH2+]C[C@H](C)[C@H](C)[C@@H]1CCC[C@@H](C)C1 87951222 572765586 /nfs/dbraw/zinc/76/55/86/572765586.db2.gz PLVISTSGFNBMSD-MROQNXINSA-N 1 0 197.366 3.304 10 0 AGAERO CCC[NH2+]C[C@@H](C)[C@H](C)c1ccco1 87952513 572765592 /nfs/dbraw/zinc/76/55/92/572765592.db2.gz DUVNETXOSWXBMB-MNOVXSKESA-N 1 0 195.306 3.019 10 0 AGAERO C[NH2+]C[C@@H](C)[C@H](C)c1csc(C)c1 87951126 572765628 /nfs/dbraw/zinc/76/56/28/572765628.db2.gz YJJNMGMVIBGFMH-SCZZXKLOSA-N 1 0 197.347 3.016 10 0 AGAERO CC[NH2+]C[C@@H](C)[C@H](C)CCC(C)C 87951805 572765642 /nfs/dbraw/zinc/76/56/42/572765642.db2.gz HBPWQDIRTKPJSY-VXGBXAGGSA-N 1 0 185.355 3.304 10 0 AGAERO C[NH2+]C[C@@H](C)[C@@H](C)C1CCC(C)CC1 87951515 572765657 /nfs/dbraw/zinc/76/56/57/572765657.db2.gz FMPDXBUEAASBID-QZQSVVMZSA-N 1 0 197.366 3.304 10 0 AGAERO CC[NH2+]C[C@H](C)[C@H](C)C(CC)CC 87952247 572765686 /nfs/dbraw/zinc/76/56/86/572765686.db2.gz ZVKXLEBGUIHXNO-QWRGUYRKSA-N 1 0 185.355 3.304 10 0 AGAERO CC(C)C[C@@H](C)[C@H](C)C[NH2+]C(C)C 87952753 572765723 /nfs/dbraw/zinc/76/57/23/572765723.db2.gz OIOQTNOAKFFXEM-VXGBXAGGSA-N 1 0 185.355 3.303 10 0 AGAERO CCC[NH2+]C[C@@H](C)[C@H](C)CC(C)C 87952397 572765782 /nfs/dbraw/zinc/76/57/82/572765782.db2.gz JICGFSYTKCFSPI-VXGBXAGGSA-N 1 0 185.355 3.304 10 0 AGAERO C[NH2+]C[C@H](C)[C@H](C)c1csc(C)c1 87951124 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185.355 3.304 10 0 AGAERO CC(C)C[C@H](C)[C@@H](C)C[NH2+]C(C)C 87952752 572766200 /nfs/dbraw/zinc/76/62/00/572766200.db2.gz OIOQTNOAKFFXEM-RYUDHWBXSA-N 1 0 185.355 3.303 10 0 AGAERO CCCC[C@H](C)[C@@H](C)C[NH2+]CCC 87952540 572766217 /nfs/dbraw/zinc/76/62/17/572766217.db2.gz RVTSXPVZZGINFY-RYUDHWBXSA-N 1 0 185.355 3.448 10 0 AGAERO C[NH2+]C[C@@H](C)[C@@H](C)C1CCCCC1 87951065 572766229 /nfs/dbraw/zinc/76/62/29/572766229.db2.gz LJLZYLMKTGBLGN-GHMZBOCLSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)C[NH2+]CC[C@H](C)C1CCCC1 87950963 572766243 /nfs/dbraw/zinc/76/62/43/572766243.db2.gz CXHJXTAZOALREB-LBPRGKRZSA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]C[C@@H](C)[C@@H](C)CC1CCCC1 87952007 572766249 /nfs/dbraw/zinc/76/62/49/572766249.db2.gz YVWRLVYNBYIBBC-NWDGAFQWSA-N 1 0 197.366 3.448 10 0 AGAERO C[NH2+]C[C@H](C)[C@@H](C)CC1CCCCC1 87951380 572766255 /nfs/dbraw/zinc/76/62/55/572766255.db2.gz WJAJQWKHIJKPSU-RYUDHWBXSA-N 1 0 197.366 3.448 10 0 AGAERO CCCC[C@@H](C)[C@@H](C)C[NH2+]CCC 87952539 572766264 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AGAERO CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1C(C)C 87960071 572775829 /nfs/dbraw/zinc/77/58/29/572775829.db2.gz TZIDGINJWZDDPN-QWHCGFSZSA-N 1 0 197.366 3.304 10 0 AGAERO CC(C)(CC[NH2+]C1CC1)C1CCCC1 87957498 572775862 /nfs/dbraw/zinc/77/58/62/572775862.db2.gz RHYTZYAFCHUCSC-UHFFFAOYSA-N 1 0 195.350 3.345 10 0 AGAERO CCCC[C@@H]1CCC[C@H]1C[NH2+]CC 87958372 572775873 /nfs/dbraw/zinc/77/58/73/572775873.db2.gz DJJHBFSGCDBODH-NEPJUHHUSA-N 1 0 183.339 3.202 10 0 AGAERO CCC[NH2+]C[C@H]1CCCC[C@@H]1C(C)C 87961358 572776871 /nfs/dbraw/zinc/77/68/71/572776871.db2.gz NIKQEXVMIOSSST-CHWSQXEVSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)C[NH2+]CCC(C)(C)C(C)C 87957589 572775884 /nfs/dbraw/zinc/77/58/84/572775884.db2.gz IXJGUWMFXCOFHJ-UHFFFAOYSA-N 1 0 185.355 3.304 10 0 AGAERO CCCC[C@H]1CCC[C@H]1C[NH2+]CC 87958373 572775912 /nfs/dbraw/zinc/77/59/12/572775912.db2.gz DJJHBFSGCDBODH-RYUDHWBXSA-N 1 0 183.339 3.202 10 0 AGAERO CC(C)(C)[C@@H]1CCC[C@@H]1C[NH2+]C1CC1 87959669 572775929 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3.448 10 0 AGAERO CC[NH2+]C[C@H]1CCC[C@@H]1CCC(C)C 87958215 572775981 /nfs/dbraw/zinc/77/59/81/572775981.db2.gz FNONWFVBUKYFMD-CHWSQXEVSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)[NH2+]C[C@H]1CCCC[C@@H]1C(C)C 87961591 572776857 /nfs/dbraw/zinc/77/68/57/572776857.db2.gz UOTTVAWGCXVBSP-CHWSQXEVSA-N 1 0 197.366 3.447 10 0 AGAERO CCCC[C@H]1CCC[C@@H]1C[NH2+]CC 87958371 572776054 /nfs/dbraw/zinc/77/60/54/572776054.db2.gz DJJHBFSGCDBODH-NWDGAFQWSA-N 1 0 183.339 3.202 10 0 AGAERO CC(C)C(C)(C)CC[NH2+]C(C)(C)C 87957539 572776085 /nfs/dbraw/zinc/77/60/85/572776085.db2.gz HTBJLNYAORHQHI-UHFFFAOYSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+]C[C@H]1CCC[C@@H]1C1CCCC1 87958435 572776090 /nfs/dbraw/zinc/77/60/90/572776090.db2.gz JTQKHRPCTUPBJV-CHWSQXEVSA-N 1 0 195.350 3.202 10 0 AGAERO C[NH2+]C[C@@H]1CCCC[C@@H]1CCC(C)C 87960237 572776861 /nfs/dbraw/zinc/77/68/61/572776861.db2.gz WOACUPXHKMPKPN-OLZOCXBDSA-N 1 0 197.366 3.448 10 0 AGAERO CCC(CC)[C@H]1CCCC[C@@H]1C[NH2+]C 87960710 572777284 /nfs/dbraw/zinc/77/72/84/572777284.db2.gz XXNKRYSUKFAQNQ-CHWSQXEVSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@H]1CCCCC[C@@H]1C[NH2+]C1CC1 87963511 572776511 /nfs/dbraw/zinc/77/65/11/572776511.db2.gz HZQDNZLNFPMEFM-NWDGAFQWSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@H](C)[C@@H]1CCCCC[C@@H]1C[NH2+]C 87962775 572776522 /nfs/dbraw/zinc/77/65/22/572776522.db2.gz SEHSUEIKBBCQIC-XQQFMLRXSA-N 1 0 197.366 3.448 10 0 AGAERO C[NH2+]C[C@@H]1CCCC[C@@H]1CC(C)C 87960255 572776527 /nfs/dbraw/zinc/77/65/27/572776527.db2.gz BVWHSYURIVXAKH-NEPJUHHUSA-N 1 0 183.339 3.058 10 0 AGAERO CC[NH2+]C[C@H]1CCCCC[C@@H]1C1CC1 87962907 572777546 /nfs/dbraw/zinc/77/75/46/572777546.db2.gz CFWCWQPRGXVHAM-CHWSQXEVSA-N 1 0 195.350 3.202 10 0 AGAERO CC(C)[NH2+]C[C@H]1CCCC[C@H]1C1CC1 87961587 572776701 /nfs/dbraw/zinc/77/67/01/572776701.db2.gz PCERPPJEAIAATR-OLZOCXBDSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@H](C)[C@H]1CCCCC[C@@H]1C[NH2+]C 87962779 572776732 /nfs/dbraw/zinc/77/67/32/572776732.db2.gz SEHSUEIKBBCQIC-YNEHKIRRSA-N 1 0 197.366 3.448 10 0 AGAERO C[NH2+]C[C@H]1CCCC[C@H]1CCC(C)C 87960234 572776738 /nfs/dbraw/zinc/77/67/38/572776738.db2.gz WOACUPXHKMPKPN-QWHCGFSZSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@H]1CCCCC[C@H]1C[NH2+]C1CC1 87963516 572777131 /nfs/dbraw/zinc/77/71/31/572777131.db2.gz HZQDNZLNFPMEFM-RYUDHWBXSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H]1CCC[C@@H]1C[NH2+]C(C)(C)C 87959909 572777166 /nfs/dbraw/zinc/77/71/66/572777166.db2.gz KBMGARRLDNHGFM-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO C=C/C=C\CC[C@H]([NH2+]C)[C@]1(C)C[C@@H]1C 713747551 572777115 /nfs/dbraw/zinc/77/71/15/572777115.db2.gz KVKXKABGYZNYJC-LECYDYFVSA-N 1 0 193.334 3.143 10 0 AGAERO C[NH2+]C[C@H]1CCCC[C@@H]1CC(C)C 87960252 572777120 /nfs/dbraw/zinc/77/71/20/572777120.db2.gz BVWHSYURIVXAKH-VXGBXAGGSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)C[NH2+]C[C@H]1CCC[C@@H]1C(C)C 87960072 572777121 /nfs/dbraw/zinc/77/71/21/572777121.db2.gz TZIDGINJWZDDPN-CHWSQXEVSA-N 1 0 197.366 3.304 10 0 AGAERO CCCC[C@@H]1C[C@@H](C)CC[C@@H]1C[NH2+]C 87963916 572777647 /nfs/dbraw/zinc/77/76/47/572777647.db2.gz ZLJNHSNRTQWIBQ-YNEHKIRRSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@H](C)/C=C(\C)CCC[NH3+] 308117556 572777172 /nfs/dbraw/zinc/77/71/72/572777172.db2.gz NFWVDQHASQDLBI-SPQRFVMMSA-N 1 0 169.312 3.108 10 0 AGAERO C=C/C=C\CC[C@H]([NH2+]C)[C@]1(C)C[C@H]1C 713747550 572777190 /nfs/dbraw/zinc/77/71/90/572777190.db2.gz KVKXKABGYZNYJC-JIWOSTRHSA-N 1 0 193.334 3.143 10 0 AGAERO CC(C)[C@@H]1CCCC[C@@H]1C[NH2+]C1CC1 87961824 572777223 /nfs/dbraw/zinc/77/72/23/572777223.db2.gz KKEPGCWYCCXXKT-YPMHNXCESA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[NH2+]C[C@@H]1CCCCC[C@@H]1C 87963660 572777262 /nfs/dbraw/zinc/77/72/62/572777262.db2.gz SWBZMAOZZXRYMN-STQMWFEESA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)[NH2+]C[C@H]1CCCC[C@@H]1C1CC1 87961583 572777279 /nfs/dbraw/zinc/77/72/79/572777279.db2.gz PCERPPJEAIAATR-CHWSQXEVSA-N 1 0 195.350 3.201 10 0 AGAERO CCCCC[C@@](C)(F)CCC[NH3+] 308118396 572777330 /nfs/dbraw/zinc/77/73/30/572777330.db2.gz NNEQIUICNOAHRF-SNVBAGLBSA-N 1 0 175.291 3.034 10 0 AGAERO CC(C)[NH2+]C[C@@H]1CCCC[C@H]1C(C)C 87961593 572777365 /nfs/dbraw/zinc/77/73/65/572777365.db2.gz UOTTVAWGCXVBSP-STQMWFEESA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H]1CCCC[C@H]1C[NH2+]CC 87961116 572777411 /nfs/dbraw/zinc/77/74/11/572777411.db2.gz HWNIPSRJLZFQFA-RYUDHWBXSA-N 1 0 183.339 3.202 10 0 AGAERO CCC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC1 87961906 572777456 /nfs/dbraw/zinc/77/74/56/572777456.db2.gz CGOSKXLZBVJEMH-VXGBXAGGSA-N 1 0 195.350 3.345 10 0 AGAERO CC[NH2+]C[C@@H]1CCCC[C@H]1CC(C)C 87960892 572777461 /nfs/dbraw/zinc/77/74/61/572777461.db2.gz WBKQKXYBABIXRB-STQMWFEESA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@@H]1CCCC[C@@H]1C[NH2+]CC 87961109 572777610 /nfs/dbraw/zinc/77/76/10/572777610.db2.gz HWNIPSRJLZFQFA-VXGBXAGGSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@@H](C)C[C@H]1CCCC[C@@H]1C[NH2+]C 87960376 572777676 /nfs/dbraw/zinc/77/76/76/572777676.db2.gz HSXHCTHXFLOCIR-JHJVBQTASA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)C[NH2+]C[C@H]1CCC[C@H]1C(C)C 87960074 572777704 /nfs/dbraw/zinc/77/77/04/572777704.db2.gz TZIDGINJWZDDPN-OLZOCXBDSA-N 1 0 197.366 3.304 10 0 AGAERO CCC[NH2+]C[C@@H]1CCCC[C@H]1C(C)C 87961360 572777707 /nfs/dbraw/zinc/77/77/07/572777707.db2.gz NIKQEXVMIOSSST-STQMWFEESA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@@H]1C[C@@H](C)CC[C@@H]1C[NH2+]C 87963940 572777934 /nfs/dbraw/zinc/77/79/34/572777934.db2.gz FFBKXQXTDKMRMR-QJPTWQEYSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)C[NH2+]C[C@@H]1CCCCC[C@H]1C 87963659 572777992 /nfs/dbraw/zinc/77/79/92/572777992.db2.gz SWBZMAOZZXRYMN-OLZOCXBDSA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+][C@H](C)/C(C)=C\c1cccs1 308118648 572777998 /nfs/dbraw/zinc/77/79/98/572777998.db2.gz XQIODFOZQGFBGT-HSTULFTRSA-N 1 0 195.331 3.149 10 0 AGAERO CCC[C@H]1CCCC[C@@H]1C[NH2+]C1CC1 87961908 572778056 /nfs/dbraw/zinc/77/80/56/572778056.db2.gz CGOSKXLZBVJEMH-NWDGAFQWSA-N 1 0 195.350 3.345 10 0 AGAERO CCCCC[C@](C)(F)CCC[NH3+] 308118390 572778082 /nfs/dbraw/zinc/77/80/82/572778082.db2.gz NNEQIUICNOAHRF-JTQLQIEISA-N 1 0 175.291 3.034 10 0 AGAERO CC(C)[NH2+]C[C@@H]1CCCC[C@H]1C1CC1 87961585 572778174 /nfs/dbraw/zinc/77/81/74/572778174.db2.gz PCERPPJEAIAATR-STQMWFEESA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@@H]1CCCC[C@H]1C[NH2+]C1CC1 87961909 572778274 /nfs/dbraw/zinc/77/82/74/572778274.db2.gz CGOSKXLZBVJEMH-NEPJUHHUSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H]1CCC[C@H]1C[NH2+]C(C)(C)C 87959913 572778239 /nfs/dbraw/zinc/77/82/39/572778239.db2.gz KBMGARRLDNHGFM-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+]C[C@@H]1CCCC[C@@H]1C(C)C 87960951 572778250 /nfs/dbraw/zinc/77/82/50/572778250.db2.gz VJYZFQATVPGXGO-NWDGAFQWSA-N 1 0 183.339 3.058 10 0 AGAERO CCC[C@H]1CCC[C@@H]1C[NH2+]CC(C)C 87960129 572778268 /nfs/dbraw/zinc/77/82/68/572778268.db2.gz LYOMXIWVJQTDHC-QWHCGFSZSA-N 1 0 197.366 3.448 10 0 AGAERO C[NH2+]C[C@@H]1CCCC[C@H]1CC(C)C 87960254 572778309 /nfs/dbraw/zinc/77/83/09/572778309.db2.gz BVWHSYURIVXAKH-RYUDHWBXSA-N 1 0 183.339 3.058 10 0 AGAERO CCC[C@@H](C)/C=C(\C)CCC[NH3+] 308117553 572778351 /nfs/dbraw/zinc/77/83/51/572778351.db2.gz NFWVDQHASQDLBI-OYVNLZQHSA-N 1 0 169.312 3.108 10 0 AGAERO CC(C)[C@H]1CCCC[C@@H]1C[NH2+]C1CC1 87961827 572778377 /nfs/dbraw/zinc/77/83/77/572778377.db2.gz KKEPGCWYCCXXKT-DGCLKSJQSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@@H](C)/C=C(/C)CCC[NH3+] 308117554 572778380 /nfs/dbraw/zinc/77/83/80/572778380.db2.gz NFWVDQHASQDLBI-QLWWJYNRSA-N 1 0 169.312 3.108 10 0 AGAERO CCC[C@@H]1CCC[C@H]1C[NH2+]CC(C)C 87960131 572778717 /nfs/dbraw/zinc/77/87/17/572778717.db2.gz LYOMXIWVJQTDHC-OLZOCXBDSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@@H]1CCCC[C@H]1C[NH2+]CC 87961113 572778719 /nfs/dbraw/zinc/77/87/19/572778719.db2.gz HWNIPSRJLZFQFA-NEPJUHHUSA-N 1 0 183.339 3.202 10 0 AGAERO CC(C)[NH2+]C[C@H]1CCCC[C@H]1C(C)C 87961589 572778452 /nfs/dbraw/zinc/77/84/52/572778452.db2.gz UOTTVAWGCXVBSP-OLZOCXBDSA-N 1 0 197.366 3.447 10 0 AGAERO CCC(CC)[C@@H]1CCCC[C@H]1C[NH2+]C 87960712 572778507 /nfs/dbraw/zinc/77/85/07/572778507.db2.gz XXNKRYSUKFAQNQ-STQMWFEESA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)C[NH2+]C[C@@H]1CCC[C@H]1C(C)C 87960073 572778514 /nfs/dbraw/zinc/77/85/14/572778514.db2.gz TZIDGINJWZDDPN-STQMWFEESA-N 1 0 197.366 3.304 10 0 AGAERO CCC[NH2+]C[C@H]1CCCC[C@@H]1C1CC1 87961350 572778517 /nfs/dbraw/zinc/77/85/17/572778517.db2.gz IWEYRJXAVVOHSE-CHWSQXEVSA-N 1 0 195.350 3.202 10 0 AGAERO CCCC[C@@H]1C[C@H](C)CC[C@@H]1C[NH2+]C 87963914 572778524 /nfs/dbraw/zinc/77/85/24/572778524.db2.gz ZLJNHSNRTQWIBQ-JHJVBQTASA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@H]1CCCCC[C@H]1C[NH2+]C 87962670 572778543 /nfs/dbraw/zinc/77/85/43/572778543.db2.gz YEZGNPOZHAASBF-RYUDHWBXSA-N 1 0 183.339 3.202 10 0 AGAERO CCC[NH2+]C[C@H]1CCCCC[C@H]1C 87963185 572778681 /nfs/dbraw/zinc/77/86/81/572778681.db2.gz YCYQRCYCMVEDQM-VXGBXAGGSA-N 1 0 183.339 3.202 10 0 AGAERO C[NH2+]C[C@@H]1CC[C@@H](C)C[C@H]1CC(C)C 87963735 572778759 /nfs/dbraw/zinc/77/87/59/572778759.db2.gz XVFCGLLMOPFWCF-FRRDWIJNSA-N 1 0 197.366 3.304 10 0 AGAERO CC[NH2+]C[C@H]1CCCC[C@@H]1C(C)C 87960953 572778790 /nfs/dbraw/zinc/77/87/90/572778790.db2.gz VJYZFQATVPGXGO-VXGBXAGGSA-N 1 0 183.339 3.058 10 0 AGAERO CC[C@H](C)[C@@H]1CCCC[C@@H]1C[NH2+]C 87960736 572778805 /nfs/dbraw/zinc/77/88/05/572778805.db2.gz FAULVTOCCXMFCJ-TUAOUCFPSA-N 1 0 183.339 3.058 10 0 AGAERO CCC(CC)[C@@H]1CCCC[C@@H]1C[NH2+]C 87960709 572778809 /nfs/dbraw/zinc/77/88/09/572778809.db2.gz XXNKRYSUKFAQNQ-OLZOCXBDSA-N 1 0 197.366 3.448 10 0 AGAERO CCCC[C@H]1C[C@@H](C)CC[C@@H]1C[NH2+]C 87963919 572778821 /nfs/dbraw/zinc/77/88/21/572778821.db2.gz ZLJNHSNRTQWIBQ-RWMBFGLXSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@H](C)C[C@H]1CCCC[C@@H]1C[NH2+]C 87960378 572778830 /nfs/dbraw/zinc/77/88/30/572778830.db2.gz HSXHCTHXFLOCIR-YNEHKIRRSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@H]1CCCC[C@H]1C[NH2+]C1CC1 87961912 572778840 /nfs/dbraw/zinc/77/88/40/572778840.db2.gz CGOSKXLZBVJEMH-RYUDHWBXSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@H]1CCC[C@@H]1C[NH2+]C(C)(C)C 87959911 572778899 /nfs/dbraw/zinc/77/88/99/572778899.db2.gz KBMGARRLDNHGFM-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[NH2+]C[C@H]1CCCCC[C@@H]1C 87963181 572779113 /nfs/dbraw/zinc/77/91/13/572779113.db2.gz YCYQRCYCMVEDQM-NWDGAFQWSA-N 1 0 183.339 3.202 10 0 AGAERO CCCC[C@H]1C[C@H](C)CC[C@@H]1C[NH2+]C 87963915 572778942 /nfs/dbraw/zinc/77/89/42/572778942.db2.gz ZLJNHSNRTQWIBQ-FRRDWIJNSA-N 1 0 197.366 3.448 10 0 AGAERO CCCC[C@H]1CCCC[C@@H]1C[NH2+]C 87960506 572778971 /nfs/dbraw/zinc/77/89/71/572778971.db2.gz IZXYVLMXGOJRKC-NWDGAFQWSA-N 1 0 183.339 3.202 10 0 AGAERO CCC(CC)[C@H]1CCCC[C@H]1C[NH2+]C 87960713 572779000 /nfs/dbraw/zinc/77/90/00/572779000.db2.gz XXNKRYSUKFAQNQ-QWHCGFSZSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@@H](C)[C@@H]1CCCCC[C@@H]1C[NH2+]C 87962773 572779037 /nfs/dbraw/zinc/77/90/37/572779037.db2.gz SEHSUEIKBBCQIC-UPJWGTAASA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]C[C@@H]1CCCC[C@@H]1CC(C)C 87960889 572779077 /nfs/dbraw/zinc/77/90/77/572779077.db2.gz WBKQKXYBABIXRB-OLZOCXBDSA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]C[C@H]1CCCC[C@@H]1[C@@H](C)CC 87961216 572779096 /nfs/dbraw/zinc/77/90/96/572779096.db2.gz BQKJTPIQHQMAQJ-YNEHKIRRSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[NH2+]C[C@H]1CCCC[C@H]1C1CC1 87961355 572779181 /nfs/dbraw/zinc/77/91/81/572779181.db2.gz IWEYRJXAVVOHSE-OLZOCXBDSA-N 1 0 195.350 3.202 10 0 AGAERO CCC[NH2+]C[C@@H]1CCCC[C@@H]1C(C)C 87961356 572779223 /nfs/dbraw/zinc/77/92/23/572779223.db2.gz NIKQEXVMIOSSST-QWHCGFSZSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1C1CC1 87961581 572779228 /nfs/dbraw/zinc/77/92/28/572779228.db2.gz PCERPPJEAIAATR-QWHCGFSZSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@H](C)[C@H]1CCCC[C@@H]1C[NH2+]C 87960738 572779257 /nfs/dbraw/zinc/77/92/57/572779257.db2.gz FAULVTOCCXMFCJ-IJLUTSLNSA-N 1 0 183.339 3.058 10 0 AGAERO C/C=C\C[NH2+]C(CC)(CC)CC 307930074 572779304 /nfs/dbraw/zinc/77/93/04/572779304.db2.gz BHJOYQXOBSGZJS-UITAMQMPSA-N 1 0 169.312 3.121 10 0 AGAERO CC(C)[C@H]1CCCC[C@H]1C[NH2+]C1CC1 87961831 572779331 /nfs/dbraw/zinc/77/93/31/572779331.db2.gz KKEPGCWYCCXXKT-WCQYABFASA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@@H]1CCCC[C@H]1C[NH2+]C1CC1 87961829 572779401 /nfs/dbraw/zinc/77/94/01/572779401.db2.gz KKEPGCWYCCXXKT-AAEUAGOBSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@H]1CCCCC[C@@H]1C[NH2+]C 87962667 572779422 /nfs/dbraw/zinc/77/94/22/572779422.db2.gz YEZGNPOZHAASBF-NWDGAFQWSA-N 1 0 183.339 3.202 10 0 AGAERO C=C/C=C/CC[C@H]([NH2+]C)[C@]1(C)C[C@H]1C 713747553 572779424 /nfs/dbraw/zinc/77/94/24/572779424.db2.gz KVKXKABGYZNYJC-SFTURWCGSA-N 1 0 193.334 3.143 10 0 AGAERO CC[NH2+]C[C@H]1CCCC[C@@H]1CC(C)C 87960891 572779434 /nfs/dbraw/zinc/77/94/34/572779434.db2.gz WBKQKXYBABIXRB-CHWSQXEVSA-N 1 0 197.366 3.448 10 0 AGAERO C[NH2+]C[C@H]1CCCCC[C@H]1CC(C)C 87962433 572779438 /nfs/dbraw/zinc/77/94/38/572779438.db2.gz NLCRNZIZDWBGLD-QWHCGFSZSA-N 1 0 197.366 3.448 10 0 AGAERO C[NH2+]C[C@H]1CCCC[C@@H]1CCC(C)C 87960235 572779443 /nfs/dbraw/zinc/77/94/43/572779443.db2.gz WOACUPXHKMPKPN-CHWSQXEVSA-N 1 0 197.366 3.448 10 0 AGAERO C=C/C=C/CC[C@H]([NH2+]C)[C@]1(C)C[C@@H]1C 713747552 572779454 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/nfs/dbraw/zinc/78/04/59/572780459.db2.gz XRLAESVDWSDYRS-OLZOCXBDSA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]C[C@H]1CCCCC[C@@H]1CC 87963006 572780462 /nfs/dbraw/zinc/78/04/62/572780462.db2.gz WIOVJHOKQKYMSV-NWDGAFQWSA-N 1 0 183.339 3.202 10 0 AGAERO CC[NH2+]C[C@H]1CC[C@H](C)C[C@@H]1CC 87964256 572780467 /nfs/dbraw/zinc/78/04/67/572780467.db2.gz OIIGANUAMOHMQD-SDDRHHMPSA-N 1 0 183.339 3.058 10 0 AGAERO CC[NH2+]C[C@@H]1CCCCC[C@H]1C(C)C 87962924 572780547 /nfs/dbraw/zinc/78/05/47/572780547.db2.gz XRLAESVDWSDYRS-STQMWFEESA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]C[C@@H]1CC[C@H](C)C[C@@H]1C1CC1 87964171 572780576 /nfs/dbraw/zinc/78/05/76/572780576.db2.gz QUOVWWOWFPBQMM-WCFLWFBJSA-N 1 0 195.350 3.058 10 0 AGAERO CC[NH2+]C[C@@H]1CCCCC[C@@H]1C(C)C 87962920 572780614 /nfs/dbraw/zinc/78/06/14/572780614.db2.gz XRLAESVDWSDYRS-QWHCGFSZSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@@H]1C[C@H](CC)CC[C@@H]1C[NH2+]C 87965006 572780649 /nfs/dbraw/zinc/78/06/49/572780649.db2.gz LWUTUMHSBGETBH-JHJVBQTASA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]C[C@H]1CCCCC[C@H]1CC 87963003 572780755 /nfs/dbraw/zinc/78/07/55/572780755.db2.gz WIOVJHOKQKYMSV-VXGBXAGGSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@@H]1CC[C@@H](C[NH2+]C)[C@H](C2CC2)C1 87964912 572780767 /nfs/dbraw/zinc/78/07/67/572780767.db2.gz BJOYWCLDZNAPOQ-WXHSDQCUSA-N 1 0 195.350 3.058 10 0 AGAERO CC[NH2+]C[C@@H]1CC[C@@H](C)C[C@@H]1C(C)C 87964182 572780800 /nfs/dbraw/zinc/78/08/00/572780800.db2.gz BFOIUJGVFLOSHL-FRRDWIJNSA-N 1 0 197.366 3.304 10 0 AGAERO CCC[NH2+]C[C@H]1CC[C@H](C)C[C@@H]1CC 87964423 572783182 /nfs/dbraw/zinc/78/31/82/572783182.db2.gz AVSNALZYMCRGQL-RWMBFGLXSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@@H]1C[C@H](C)CC[C@@H]1C[NH2+]C(C)C 87964553 572780815 /nfs/dbraw/zinc/78/08/15/572780815.db2.gz ZCELRPHOJCPQCA-JHJVBQTASA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H]1CC[C@@H](C[NH2+]C)[C@H](CC)C1 87965000 572780827 /nfs/dbraw/zinc/78/08/27/572780827.db2.gz SSTYLUCASFZDIJ-UTUOFQBUSA-N 1 0 183.339 3.058 10 0 AGAERO CC[NH2+][C@@H](C)/C=C\C1CCCCC1 308119547 572780890 /nfs/dbraw/zinc/78/08/90/572780890.db2.gz ZOSCRVPUFFEOKK-JUDLJHIGSA-N 1 0 181.323 3.121 10 0 AGAERO CCC[NH2+]C[C@H]1CC[C@@H](C)C[C@@H]1CC 87964425 572780892 /nfs/dbraw/zinc/78/08/92/572780892.db2.gz AVSNALZYMCRGQL-FRRDWIJNSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[NH2+]C[C@@H]1CC[C@@H](CC)C[C@@H]1C 87965276 572780915 /nfs/dbraw/zinc/78/09/15/572780915.db2.gz MBQDVDKAIJAQEM-XQQFMLRXSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@H]1CC[C@H](C[NH2+]C)[C@H](C2CC2)C1 87964910 572780983 /nfs/dbraw/zinc/78/09/83/572780983.db2.gz BJOYWCLDZNAPOQ-UHTWSYAYSA-N 1 0 195.350 3.058 10 0 AGAERO CC[NH2+]C[C@@H]1CC[C@@H](C(C)C)C[C@@H]1C 87965993 572781043 /nfs/dbraw/zinc/78/10/43/572781043.db2.gz YMVYLMDVVOHUSR-XQQFMLRXSA-N 1 0 197.366 3.304 10 0 AGAERO CC[C@@H]1CC[C@H](C[NH2+]C)[C@H](C(C)C)C1 87964923 572781110 /nfs/dbraw/zinc/78/11/10/572781110.db2.gz GHVHGAZTEQPELD-UPJWGTAASA-N 1 0 197.366 3.304 10 0 AGAERO CC[NH2+]C[C@H]1CC[C@H](C(C)C)C[C@@H]1C 87965992 572781119 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ZCELRPHOJCPQCA-YNEHKIRRSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1C[NH2+]C 87965904 572781853 /nfs/dbraw/zinc/78/18/53/572781853.db2.gz GUWWWUQSJYHXMN-JHJVBQTASA-N 1 0 197.366 3.304 10 0 AGAERO CC[NH2+]C[C@H]1CC[C@H](C)C[C@@H]1C(C)C 87964180 572781873 /nfs/dbraw/zinc/78/18/73/572781873.db2.gz BFOIUJGVFLOSHL-YNEHKIRRSA-N 1 0 197.366 3.304 10 0 AGAERO CC[C@H]1C[C@@H](C(C)C)CC[C@@H]1C[NH2+]C 87965908 572781888 /nfs/dbraw/zinc/78/18/88/572781888.db2.gz GUWWWUQSJYHXMN-RWMBFGLXSA-N 1 0 197.366 3.304 10 0 AGAERO CC[C@H]1C[C@H](C)CC[C@@H]1C[NH2+]C1CC1 87964675 572782081 /nfs/dbraw/zinc/78/20/81/572782081.db2.gz LWGIWBGOIJPUFD-GRYCIOLGSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@@H]1CC[C@H](C[NH2+]C)[C@H](C)C1 87965537 572782112 /nfs/dbraw/zinc/78/21/12/572782112.db2.gz STQACBWCWDTYQM-IJLUTSLNSA-N 1 0 183.339 3.058 10 0 AGAERO CC[C@@H]1CC[C@H](C[NH2+]C)[C@H](C2CC2)C1 87964908 572782181 /nfs/dbraw/zinc/78/21/81/572782181.db2.gz BJOYWCLDZNAPOQ-RTXFEEFZSA-N 1 0 195.350 3.058 10 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/nfs/dbraw/zinc/78/23/88/572782388.db2.gz QIHCWKUDCMIXAA-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO Cc1ccc2ccccc2c1C(C)(C)[NH3+] 238529272 572782397 /nfs/dbraw/zinc/78/23/97/572782397.db2.gz DJLSIGGMPMEUQW-UHFFFAOYSA-N 1 0 199.297 3.342 10 0 AGAERO CC[NH2+]C[C@@H]1CCCCC[C@H]1CC 87963008 572782474 /nfs/dbraw/zinc/78/24/74/572782474.db2.gz WIOVJHOKQKYMSV-NEPJUHHUSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@@H]1C[C@@H](C)CC[C@@H]1C[NH2+]C1CC1 87964677 572782548 /nfs/dbraw/zinc/78/25/48/572782548.db2.gz LWGIWBGOIJPUFD-QJPTWQEYSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[NH2+][C@@H](C)[C@H](C)C(C)(C)C 85662158 572782583 /nfs/dbraw/zinc/78/25/83/572782583.db2.gz WUPSKSHSAKSPRD-UWVGGRQHSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@H]1C[C@@H](CC)CC[C@@H]1C[NH2+]C 87965011 572782587 /nfs/dbraw/zinc/78/25/87/572782587.db2.gz LWUTUMHSBGETBH-RWMBFGLXSA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]C[C@@H]1CC[C@H](C)C[C@@H]1C(C)C 87964178 572782633 /nfs/dbraw/zinc/78/26/33/572782633.db2.gz BFOIUJGVFLOSHL-RWMBFGLXSA-N 1 0 197.366 3.304 10 0 AGAERO CC[NH2+][C@@H](C)[C@H](C)c1sccc1C 85661105 572782642 /nfs/dbraw/zinc/78/26/42/572782642.db2.gz BGOFMFWRGRJUOU-UWVGGRQHSA-N 1 0 197.347 3.158 10 0 AGAERO CCC[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH2+]C 87965009 572782660 /nfs/dbraw/zinc/78/26/60/572782660.db2.gz LWUTUMHSBGETBH-YNEHKIRRSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[NH2+]C[C@H]1CC[C@@H](CC)C[C@@H]1C 87965277 572782901 /nfs/dbraw/zinc/78/29/01/572782901.db2.gz MBQDVDKAIJAQEM-YNEHKIRRSA-N 1 0 197.366 3.448 10 0 AGAERO C[C@H]([NH3+])[C@@H](C)c1ccc2ccccc2c1 85659375 572782678 /nfs/dbraw/zinc/78/26/78/572782678.db2.gz MWTQUGZUPZAKPL-MNOVXSKESA-N 1 0 199.297 3.291 10 0 AGAERO CCC[NH2+]C[C@H]1CC[C@H](CC)C[C@@H]1C 87965275 572782681 /nfs/dbraw/zinc/78/26/81/572782681.db2.gz MBQDVDKAIJAQEM-RWMBFGLXSA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 85661262 572782697 /nfs/dbraw/zinc/78/26/97/572782697.db2.gz PERJRPWHYOLGBD-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+]C[C@@H]1CCCCC[C@H]1C1CC1 87962908 572782833 /nfs/dbraw/zinc/78/28/33/572782833.db2.gz CFWCWQPRGXVHAM-STQMWFEESA-N 1 0 195.350 3.202 10 0 AGAERO CCC(CC)C[C@H]([NH3+])C1(CC)CC1 308128676 572782883 /nfs/dbraw/zinc/78/28/83/572782883.db2.gz CLUODPMEURSVKY-NSHDSACASA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H](C)c1ccc(C[C@@H](C)[NH3+])cc1 71424358 572782885 /nfs/dbraw/zinc/78/28/85/572782885.db2.gz LNOXDQBYAVZLDE-GHMZBOCLSA-N 1 0 191.318 3.090 10 0 AGAERO CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C[NH2+]C 87965907 572782914 /nfs/dbraw/zinc/78/29/14/572782914.db2.gz GUWWWUQSJYHXMN-FRRDWIJNSA-N 1 0 197.366 3.304 10 0 AGAERO C[C@H]([NH3+])[C@H](C)c1ccc2ccccc2c1 85659379 572782931 /nfs/dbraw/zinc/78/29/31/572782931.db2.gz MWTQUGZUPZAKPL-QWRGUYRKSA-N 1 0 199.297 3.291 10 0 AGAERO CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 85657036 572782968 /nfs/dbraw/zinc/78/29/68/572782968.db2.gz KJSAZIJFMRTUHG-SECBINFHSA-N 1 0 197.709 3.053 10 0 AGAERO CCC[C@@H]1C[C@@H](C)CC[C@@H]1C[NH2+]CC 87964259 572783014 /nfs/dbraw/zinc/78/30/14/572783014.db2.gz LTLKHSCTXAIZOL-YNEHKIRRSA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]C[C@@H](C)c1ccc(Cl)cc1 85657030 572783079 /nfs/dbraw/zinc/78/30/79/572783079.db2.gz LJRXWKDIWXNYLM-SECBINFHSA-N 1 0 197.709 3.053 10 0 AGAERO CCCC(CCC)[C@@H](C)[NH2+]CC 85660693 572783087 /nfs/dbraw/zinc/78/30/87/572783087.db2.gz XUCSFSXDEDMRIL-SNVBAGLBSA-N 1 0 171.328 3.201 10 0 AGAERO C[C@H]([NH3+])[C@H](C)c1cccc2ccccc12 85659549 572783100 /nfs/dbraw/zinc/78/31/00/572783100.db2.gz FPBLGZJWCRLXMM-QWRGUYRKSA-N 1 0 199.297 3.291 10 0 AGAERO CCC[C@H]1C[C@H](CC)CC[C@@H]1C[NH2+]C 87965007 572783109 /nfs/dbraw/zinc/78/31/09/572783109.db2.gz LWUTUMHSBGETBH-FRRDWIJNSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@@H]1C[C@H](C)CC[C@@H]1C[NH2+]C1CC1 87964673 572783250 /nfs/dbraw/zinc/78/32/50/572783250.db2.gz LWGIWBGOIJPUFD-IJLUTSLNSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@H]1C[C@H](C(C)C)CC[C@@H]1C[NH2+]C 87965905 572783152 /nfs/dbraw/zinc/78/31/52/572783152.db2.gz GUWWWUQSJYHXMN-YNEHKIRRSA-N 1 0 197.366 3.304 10 0 AGAERO 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YCIWDSUMZZEILF-NEPJUHHUSA-N 1 0 191.318 3.097 10 0 AGAERO CCC[NH2+]CC1[C@H](C)CCC[C@H]1C 85657101 572783534 /nfs/dbraw/zinc/78/35/34/572783534.db2.gz ZAWQCDRDJJNRCB-GHMZBOCLSA-N 1 0 183.339 3.058 10 0 AGAERO CCC[C@H]1C[C@@H](C)CC[C@@H]1C[NH2+]CC 87964260 572783585 /nfs/dbraw/zinc/78/35/85/572783585.db2.gz LTLKHSCTXAIZOL-RWMBFGLXSA-N 1 0 197.366 3.448 10 0 AGAERO C[C@@H]1CCCC[C@@H]1N1CCCCC1=[NH2+] 49584106 572783611 /nfs/dbraw/zinc/78/36/11/572783611.db2.gz ABSJIOOXYGUFON-MNOVXSKESA-N 1 0 194.322 3.028 10 0 AGAERO CCC[C@H]1C[C@H](C)CC[C@@H]1C[NH2+]CC 87964258 572783629 /nfs/dbraw/zinc/78/36/29/572783629.db2.gz LTLKHSCTXAIZOL-FRRDWIJNSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[NH2+][C@H](C)[C@H](C)C(C)(C)C 85662160 572783646 /nfs/dbraw/zinc/78/36/46/572783646.db2.gz WUPSKSHSAKSPRD-VHSXEESVSA-N 1 0 171.328 3.057 10 0 AGAERO CCC[C@@H]1CC[C@H](C[NH2+]C)[C@H](CC)C1 87965586 572783650 /nfs/dbraw/zinc/78/36/50/572783650.db2.gz HDDDGDZPEZMYNY-JHJVBQTASA-N 1 0 197.366 3.448 10 0 AGAERO 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3.058 10 0 AGAERO C[C@H]([NH3+])[C@@H](C)c1cccc2ccccc12 85659546 572784089 /nfs/dbraw/zinc/78/40/89/572784089.db2.gz FPBLGZJWCRLXMM-MNOVXSKESA-N 1 0 199.297 3.291 10 0 AGAERO CCC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C 85661745 572784108 /nfs/dbraw/zinc/78/41/08/572784108.db2.gz PIMBVCAJILSGSC-TUAOUCFPSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[NH2+][C@H](C)[C@@H]1C[C@H](C)CC[C@@H]1C 85662011 572784156 /nfs/dbraw/zinc/78/41/56/572784156.db2.gz WBUVHLVWAFEOFN-YVECIDJPSA-N 1 0 197.366 3.447 10 0 AGAERO CCCCCC[NH2+]CCCCCF 308128887 572784169 /nfs/dbraw/zinc/78/41/69/572784169.db2.gz AWDKFVIKYQJHDK-UHFFFAOYSA-N 1 0 189.318 3.296 10 0 AGAERO CCC[NH2+][C@H](C)[C@H](C)[C@@H](C)CC 85661705 572784312 /nfs/dbraw/zinc/78/43/12/572784312.db2.gz DNDFHRRKZONVOT-HBNTYKKESA-N 1 0 171.328 3.057 10 0 AGAERO CCC[NH2+]C[C@H]1CCC(C)(C)C[C@@H]1C 87966703 572784353 /nfs/dbraw/zinc/78/43/53/572784353.db2.gz PDRDGKUYUUKBON-NWDGAFQWSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[NH2+][C@H](C)[C@@H]1CC[C@H](C)C[C@@H]1C 85661655 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85659001 572784809 /nfs/dbraw/zinc/78/48/09/572784809.db2.gz UXSGRVUWPCJSBZ-GHMZBOCLSA-N 1 0 191.318 3.090 10 0 AGAERO CCCc1ccc([C@H](C)[C@H](C)[NH3+])cc1 85659005 572784826 /nfs/dbraw/zinc/78/48/26/572784826.db2.gz UXSGRVUWPCJSBZ-MNOVXSKESA-N 1 0 191.318 3.090 10 0 AGAERO C[C@@H](c1ccc2ccccc2c1)[C@@H](C)[NH3+] 85659371 572784861 /nfs/dbraw/zinc/78/48/61/572784861.db2.gz MWTQUGZUPZAKPL-GHMZBOCLSA-N 1 0 199.297 3.291 10 0 AGAERO CCC[NH2+][C@H](C)[C@H](C)C1CCCC1 85661952 572784866 /nfs/dbraw/zinc/78/48/66/572784866.db2.gz QIHCWKUDCMIXAA-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@@H]([NH3+])[C@H](C)c1cccc2ccccc12 85659545 572784893 /nfs/dbraw/zinc/78/48/93/572784893.db2.gz FPBLGZJWCRLXMM-WDEREUQCSA-N 1 0 199.297 3.291 10 0 AGAERO CC[NH2+][C@@H](C)[C@@H](C)c1ccc(C)s1 85661467 572784923 /nfs/dbraw/zinc/78/49/23/572784923.db2.gz VIUFVAUVZIPCDE-ZJUUUORDSA-N 1 0 197.347 3.158 10 0 AGAERO CC[C@H](C[NH2+]C)c1cccc(Cl)c1 85656963 572784927 /nfs/dbraw/zinc/78/49/27/572784927.db2.gz ANODAHCGJCLYPK-SECBINFHSA-N 1 0 197.709 3.053 10 0 AGAERO CCC[NH2+][C@H](C)[C@@H](C)C(C)(C)C 85662156 572784951 /nfs/dbraw/zinc/78/49/51/572784951.db2.gz WUPSKSHSAKSPRD-NXEZZACHSA-N 1 0 171.328 3.057 10 0 AGAERO CC[NH2+][C@@H](C)[C@@H](C)c1sccc1C 85661100 572784954 /nfs/dbraw/zinc/78/49/54/572784954.db2.gz BGOFMFWRGRJUOU-ZJUUUORDSA-N 1 0 197.347 3.158 10 0 AGAERO C[NH2+][C@@H](C)[C@H](c1ccccc1)C(C)C 85660370 572785059 /nfs/dbraw/zinc/78/50/59/572785059.db2.gz SBOQPTLXBCJRGV-WCQYABFASA-N 1 0 191.318 3.034 10 0 AGAERO CC[C@@H](C[NH2+]C)c1cccc(Cl)c1 85656961 572785072 /nfs/dbraw/zinc/78/50/72/572785072.db2.gz ANODAHCGJCLYPK-VIFPVBQESA-N 1 0 197.709 3.053 10 0 AGAERO CCC[C@@H](C)Nc1cc[nH+]c(CC)c1 307766727 572785090 /nfs/dbraw/zinc/78/50/90/572785090.db2.gz FRFPHYGAPFOTDT-SNVBAGLBSA-N 1 0 192.306 3.245 10 0 AGAERO C[NH2+][C@H](C)[C@@H](c1ccccc1)C(C)C 85660368 572785101 /nfs/dbraw/zinc/78/51/01/572785101.db2.gz SBOQPTLXBCJRGV-YPMHNXCESA-N 1 0 191.318 3.034 10 0 AGAERO CCCC(CCC)[C@H](C)[NH2+]CC 85660695 572785127 /nfs/dbraw/zinc/78/51/27/572785127.db2.gz XUCSFSXDEDMRIL-JTQLQIEISA-N 1 0 171.328 3.201 10 0 AGAERO CC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 85661266 572785205 /nfs/dbraw/zinc/78/52/05/572785205.db2.gz PERJRPWHYOLGBD-QWRGUYRKSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H](C)[C@H](C)C1CCCCC1 85661269 572785243 /nfs/dbraw/zinc/78/52/43/572785243.db2.gz PERJRPWHYOLGBD-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+]C[C@@H]1CCC(C)(C)C[C@@H]1CC 87966626 572785250 /nfs/dbraw/zinc/78/52/50/572785250.db2.gz LGVQWVJTZIFIEI-RYUDHWBXSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[NH2+]C[C@@H]1CCC(C)(C)C[C@@H]1C 87966701 572785641 /nfs/dbraw/zinc/78/56/41/572785641.db2.gz PDRDGKUYUUKBON-RYUDHWBXSA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]Cc1ccc(C(C)C)c(C)c1 85707920 572785847 /nfs/dbraw/zinc/78/58/47/572785847.db2.gz DMPSGYIWRBTRSL-UHFFFAOYSA-N 1 0 191.318 3.228 10 0 AGAERO CCC[C@H](C)Nc1cc[nH+]c(CC)c1 307766726 572786353 /nfs/dbraw/zinc/78/63/53/572786353.db2.gz FRFPHYGAPFOTDT-JTQLQIEISA-N 1 0 192.306 3.245 10 0 AGAERO CCC[NH2+]C[C@@H]1CCC(C)(C)C[C@H]1C 87966704 572786755 /nfs/dbraw/zinc/78/67/55/572786755.db2.gz PDRDGKUYUUKBON-NEPJUHHUSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@H]1CC(C)(C)CC[C@H]1C[NH2+]C 87966450 572786873 /nfs/dbraw/zinc/78/68/73/572786873.db2.gz BKUUGRPDPHLQDO-RYUDHWBXSA-N 1 0 197.366 3.448 10 0 AGAERO CCC[C@H]1CC(C)(C)CC[C@@H]1C[NH2+]C 87966445 572786961 /nfs/dbraw/zinc/78/69/61/572786961.db2.gz BKUUGRPDPHLQDO-NWDGAFQWSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@H](C)C[NH2+]Cc1ccsc1C 308131248 572787278 /nfs/dbraw/zinc/78/72/78/572787278.db2.gz JCWICMTWGOBQEU-VIFPVBQESA-N 1 0 197.347 3.192 10 0 AGAERO CC[C@@H](C)C[NH2+]Cc1ccsc1C 308131246 572787352 /nfs/dbraw/zinc/78/73/52/572787352.db2.gz JCWICMTWGOBQEU-SECBINFHSA-N 1 0 197.347 3.192 10 0 AGAERO CCCCC[C@@H]([NH3+])CCCCF 308131007 572787368 /nfs/dbraw/zinc/78/73/68/572787368.db2.gz XIMMTBLBVQYASA-SNVBAGLBSA-N 1 0 175.291 3.034 10 0 AGAERO CCC[C@@H]1CC(C)(C)CC[C@H]1C[NH2+]C 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10 0 AGAERO CCCCCC[C@H]1CCC[C@@H](C)[NH2+]1 141611614 572789368 /nfs/dbraw/zinc/78/93/68/572789368.db2.gz CCAYXQVLIAZQSW-NEPJUHHUSA-N 1 0 183.339 3.487 10 0 AGAERO C/C=C\CCNc1cc[nH+]c(CC)c1 307769358 572791372 /nfs/dbraw/zinc/79/13/72/572791372.db2.gz LLUAAFJZKSVBLX-HYXAFXHYSA-N 1 0 190.290 3.022 10 0 AGAERO C/C(=C/CC(F)(F)F)CCCC[NH3+] 308131630 572790631 /nfs/dbraw/zinc/79/06/31/572790631.db2.gz JNLCPUQQZAGIJX-YVMONPNESA-N 1 0 195.228 3.014 10 0 AGAERO CC[NH2+]C[C@@H](C)CC1(C)CCCC1 308131678 572790998 /nfs/dbraw/zinc/79/09/98/572790998.db2.gz JUKJRBZDVDJPGW-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CCC1([C@H]([NH2+]C)c2ccsc2)CC1 308128212 572791155 /nfs/dbraw/zinc/79/11/55/572791155.db2.gz CCFPIKZCZYWJLE-SNVBAGLBSA-N 1 0 195.331 3.199 10 0 AGAERO CCc1cc(NC(CC)CC)cc[nH+]1 307767842 572791307 /nfs/dbraw/zinc/79/13/07/572791307.db2.gz JFJJESPDNFBLML-UHFFFAOYSA-N 1 0 192.306 3.245 10 0 AGAERO CC[C@@H]1C[C@H]1[NH2+]C[C@H](C)C(C)(C)C 308128441 572791646 /nfs/dbraw/zinc/79/16/46/572791646.db2.gz AQZWKDDVPWYXDL-HBNTYKKESA-N 1 0 183.339 3.057 10 0 AGAERO CC[NH2+]C[C@H](C)CC1(C)CCCC1 308131677 572791686 /nfs/dbraw/zinc/79/16/86/572791686.db2.gz JUKJRBZDVDJPGW-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CCC[NH2+]CCCC1(C)CCCC1 308127621 572791952 /nfs/dbraw/zinc/79/19/52/572791952.db2.gz FVANJHDSQDSRPF-UHFFFAOYSA-N 1 0 183.339 3.347 10 0 AGAERO CC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)C(C)(C)C 308128439 572792034 /nfs/dbraw/zinc/79/20/34/572792034.db2.gz AQZWKDDVPWYXDL-AXFHLTTASA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@@H]1C[C@H]1[NH2+]C[C@@H](C)C(C)(C)C 308128440 572792127 /nfs/dbraw/zinc/79/21/27/572792127.db2.gz AQZWKDDVPWYXDL-GMTAPVOTSA-N 1 0 183.339 3.057 10 0 AGAERO C=C/C=C/CC[NH2+]CC1=CCCCC1 713756970 572792880 /nfs/dbraw/zinc/79/28/80/572792880.db2.gz DHIUEYXRRWICQL-ONEGZZNKSA-N 1 0 191.318 3.209 10 0 AGAERO CCC(CC)[C@H]([NH2+]C)C1(CC)CC1 308132262 572793099 /nfs/dbraw/zinc/79/30/99/572793099.db2.gz FQEULSQXMSKFHJ-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H]1CCC[C@@]([NH3+])(CC(C)C)C1 71110408 572793143 /nfs/dbraw/zinc/79/31/43/572793143.db2.gz XERQHCPWAXSPIU-NWDGAFQWSA-N 1 0 183.339 3.330 10 0 AGAERO CCC[C@@H](C[NH3+])C[C@@H](C)CC(F)F 688711656 572794237 /nfs/dbraw/zinc/79/42/37/572794237.db2.gz YPLQLMRFHPKDHA-RKDXNWHRSA-N 1 0 193.281 3.043 10 0 AGAERO CCC[C@H]([NH2+]C(CC)CC)C1CC1 308128486 572794722 /nfs/dbraw/zinc/79/47/22/572794722.db2.gz ATMWBDMLCRVIEK-LBPRGKRZSA-N 1 0 183.339 3.343 10 0 AGAERO CCC(CC)[C@@H]([NH2+]C)C1(CC)CC1 308132260 572794917 /nfs/dbraw/zinc/79/49/17/572794917.db2.gz FQEULSQXMSKFHJ-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO C=C/C=C\CC[NH2+]CC1=CCCCC1 713756969 572795042 /nfs/dbraw/zinc/79/50/42/572795042.db2.gz DHIUEYXRRWICQL-ARJAWSKDSA-N 1 0 191.318 3.209 10 0 AGAERO CCC[C@@H](C[NH3+])C[C@H](C)CC(F)F 688711652 572795583 /nfs/dbraw/zinc/79/55/83/572795583.db2.gz YPLQLMRFHPKDHA-DTWKUNHWSA-N 1 0 193.281 3.043 10 0 AGAERO CCC[C@H](C[NH3+])C[C@@H](C)CC(F)F 688711649 572795731 /nfs/dbraw/zinc/79/57/31/572795731.db2.gz YPLQLMRFHPKDHA-BDAKNGLRSA-N 1 0 193.281 3.043 10 0 AGAERO CC[C@@H]1CCC[C@@]([NH3+])(CC(C)C)C1 71110403 572795794 /nfs/dbraw/zinc/79/57/94/572795794.db2.gz XERQHCPWAXSPIU-VXGBXAGGSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@H]1CCC[C@]([NH3+])(CC(C)C)C1 71110400 572796003 /nfs/dbraw/zinc/79/60/03/572796003.db2.gz XERQHCPWAXSPIU-RYUDHWBXSA-N 1 0 183.339 3.330 10 0 AGAERO CCC[C@@H]([NH2+]C(CC)CC)C1CC1 308128485 572796130 /nfs/dbraw/zinc/79/61/30/572796130.db2.gz ATMWBDMLCRVIEK-GFCCVEGCSA-N 1 0 183.339 3.343 10 0 AGAERO [NH3+]CCC/C=C/Sc1ccccc1 238552997 572796253 /nfs/dbraw/zinc/79/62/53/572796253.db2.gz ZICKCQAJWNPETR-UXBLZVDNSA-N 1 0 193.315 3.031 10 0 AGAERO C/C=C\C[NH2+][C@H](C)CCCCC 307936339 572796740 /nfs/dbraw/zinc/79/67/40/572796740.db2.gz GJSKJYBBWCUQDA-JPVGGKMYSA-N 1 0 169.312 3.121 10 0 AGAERO C[C@@H]1CC[C@@H](C2CCCCCC2)C[NH2+]1 235342221 572800559 /nfs/dbraw/zinc/80/05/59/572800559.db2.gz XOQNJBWJZBSRRL-DGCLKSJQSA-N 1 0 195.350 3.345 10 0 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/nfs/dbraw/zinc/80/32/39/572803239.db2.gz LHWFFVNDCAEFRB-UHFFFAOYSA-N 1 0 198.269 3.158 10 0 AGAERO CCCCCC[C@H]1[NH2+]CC12CCC2 308132557 572803423 /nfs/dbraw/zinc/80/34/23/572803423.db2.gz KOZAJDQJOIYJIE-LLVKDONJSA-N 1 0 181.323 3.099 10 0 AGAERO CC[C@H](C)C[C@@]1(CC)CC[NH2+]C[C@H]1C 252578426 572803543 /nfs/dbraw/zinc/80/35/43/572803543.db2.gz LFCQAKZBLMPINA-YNEHKIRRSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)CC[C@@H](C)[NH2+]C(C)(C)CF 308132342 572803812 /nfs/dbraw/zinc/80/38/12/572803812.db2.gz BRJTZVLQXPXJFY-SNVBAGLBSA-N 1 0 189.318 3.149 10 0 AGAERO C[C@@H]1CCC[C@@H](CC2CCCCC2)[NH2+]1 235344376 572803834 /nfs/dbraw/zinc/80/38/34/572803834.db2.gz WSAIKYJVMJSUIE-YPMHNXCESA-N 1 0 195.350 3.487 10 0 AGAERO CCCC[C@@H](/C=C(\C)C[NH3+])CC 307939698 572803997 /nfs/dbraw/zinc/80/39/97/572803997.db2.gz UUIMGJUMHMAHCN-UQSGXBNBSA-N 1 0 169.312 3.108 10 0 AGAERO Cc1ccc(C)c([C@@H]([NH3+])CC2CC2)c1 49729386 572806777 /nfs/dbraw/zinc/80/67/77/572806777.db2.gz YTCHLTPUKOLTMO-ZDUSSCGKSA-N 1 0 189.302 3.103 10 0 AGAERO CCC[C@@H]1C[C@]1([NH3+])[C@H]1CC[C@@H](CC)C1 252575075 572804895 /nfs/dbraw/zinc/80/48/95/572804895.db2.gz GSPWPCXHNHNKID-XQHKEYJVSA-N 1 0 195.350 3.330 10 0 AGAERO Cc1cc([C@H]([NH3+])CC2CC2)c(C)s1 49729414 572804925 /nfs/dbraw/zinc/80/49/25/572804925.db2.gz SOLWXXIMMDGDLA-LLVKDONJSA-N 1 0 195.331 3.165 10 0 AGAERO C[C@@H]1CC[C@H](CCC(C)(C)C)C[NH2+]1 235260336 572805329 /nfs/dbraw/zinc/80/53/29/572805329.db2.gz QLMZQGNIZODURT-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@@](C)([NH3+])[C@@H](C)CC(C)C 307941627 572805598 /nfs/dbraw/zinc/80/55/98/572805598.db2.gz ADHWTIFTXOHBKK-WDEREUQCSA-N 1 0 171.328 3.186 10 0 AGAERO CCC[C@@H](C)[C@H](CC)[NH2+]C(C)C 307941075 572805681 /nfs/dbraw/zinc/80/56/81/572805681.db2.gz CALMDBYBSMKVIY-MNOVXSKESA-N 1 0 171.328 3.199 10 0 AGAERO CCC[C@H](C)[C@H](CC)[NH2+]C(C)C 307941077 572805979 /nfs/dbraw/zinc/80/59/79/572805979.db2.gz CALMDBYBSMKVIY-QWRGUYRKSA-N 1 0 171.328 3.199 10 0 AGAERO Cc1ccc([C@@H]([NH3+])CC2CC2)cc1C 49729435 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YTCHLTPUKOLTMO-CYBMUJFWSA-N 1 0 189.302 3.103 10 0 AGAERO Cc1ccc([C@H]([NH3+])CC2CC2)c(C)c1 49729379 572807092 /nfs/dbraw/zinc/80/70/92/572807092.db2.gz RLHNNIXREBMHAY-CYBMUJFWSA-N 1 0 189.302 3.103 10 0 AGAERO CC(C)C(C)(C)C[NH2+]C/C=C\Cl 307940730 572807168 /nfs/dbraw/zinc/80/71/68/572807168.db2.gz NKQNBUUIVMIUKU-WAYWQWQTSA-N 1 0 189.730 3.011 10 0 AGAERO C[C@@H]1CC[C@H](CCC(C)(C)C)[NH2+]C1 235260377 572807400 /nfs/dbraw/zinc/80/74/00/572807400.db2.gz BJUWDNAWPFAARO-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@](C)([NH3+])[C@@H](C)CC(C)C 307941625 572807603 /nfs/dbraw/zinc/80/76/03/572807603.db2.gz ADHWTIFTXOHBKK-QWRGUYRKSA-N 1 0 171.328 3.186 10 0 AGAERO Cc1ccc([C@H]([NH3+])CC2CC2)cc1C 49729433 572807864 /nfs/dbraw/zinc/80/78/64/572807864.db2.gz FRQQZAWGXJBFBD-CYBMUJFWSA-N 1 0 189.302 3.103 10 0 AGAERO CC(C)CCCC[NH2+]C[C@H]1C[C@@H]1C 308138332 572807912 /nfs/dbraw/zinc/80/79/12/572807912.db2.gz GSRARRYOXLTHRA-NWDGAFQWSA-N 1 0 183.339 3.058 10 0 AGAERO 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F[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 196941344 572818400 /nfs/dbraw/zinc/81/84/00/572818400.db2.gz XYTHGBRNZOCALB-NEPJUHHUSA-N 1 0 199.313 3.189 10 0 AGAERO CCCCC[C@@H]1C[NH2+][C@H](C)[C@H](C)C1 308134978 572818497 /nfs/dbraw/zinc/81/84/97/572818497.db2.gz HRBHZSUNCKMFFR-UTUOFQBUSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@H]([NH2+]C1CCCCC1)C(C)(C)F 196941238 572818652 /nfs/dbraw/zinc/81/86/52/572818652.db2.gz FQZKGDACELYQFK-VIFPVBQESA-N 1 0 187.302 3.045 10 0 AGAERO CCCC[C@H]1CCCC[C@@H](C)[NH2+]1 196944984 572818884 /nfs/dbraw/zinc/81/88/84/572818884.db2.gz MQQOECWVWURFPW-MNOVXSKESA-N 1 0 169.312 3.097 10 0 AGAERO CC(C)C[C@H](C)[C@@H]([NH3+])[C@@H](C)C1CC1 308135229 572818929 /nfs/dbraw/zinc/81/89/29/572818929.db2.gz HSEXAVQKTIROSS-JBLDHEPKSA-N 1 0 183.339 3.042 10 0 AGAERO CCC(C)(C)[C@@H](CCCCF)[NH2+]C 308135962 572819218 /nfs/dbraw/zinc/81/92/18/572819218.db2.gz IFJRPPZLJHNHJG-SNVBAGLBSA-N 1 0 189.318 3.150 10 0 AGAERO CCCCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)C1 308134977 572819273 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MQQOECWVWURFPW-GHMZBOCLSA-N 1 0 169.312 3.097 10 0 AGAERO CCCC[C@@H]1CCCC[C@H](C)[NH2+]1 196944942 572819686 /nfs/dbraw/zinc/81/96/86/572819686.db2.gz MQQOECWVWURFPW-WDEREUQCSA-N 1 0 169.312 3.097 10 0 AGAERO CCC(C)(C)[C@H](CCCCF)[NH2+]C 308135961 572819853 /nfs/dbraw/zinc/81/98/53/572819853.db2.gz IFJRPPZLJHNHJG-JTQLQIEISA-N 1 0 189.318 3.150 10 0 AGAERO C[C@@H]([NH2+]C1CCCCC1)C(C)(C)F 196941249 572819902 /nfs/dbraw/zinc/81/99/02/572819902.db2.gz FQZKGDACELYQFK-SECBINFHSA-N 1 0 187.302 3.045 10 0 AGAERO F[C@H]1CCCC[C@H]1[NH2+]C1CCCCC1 196941306 572819915 /nfs/dbraw/zinc/81/99/15/572819915.db2.gz XYTHGBRNZOCALB-NWDGAFQWSA-N 1 0 199.313 3.189 10 0 AGAERO CC[NH2+]C/C(C)=C\[C@@H](C)C(C)(C)C 308135981 572820679 /nfs/dbraw/zinc/82/06/79/572820679.db2.gz IGYKMKBAUMFUOP-HIJJYWJESA-N 1 0 183.339 3.224 10 0 AGAERO CC(C)C(C)(C)[NH2+][C@H](C)CC1CC1 308140114 572821091 /nfs/dbraw/zinc/82/10/91/572821091.db2.gz HXPULWCDMZNQEW-SNVBAGLBSA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@@H]([NH3+])c1cc(C)ccc1SC 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3.127 10 0 AGAERO CCCCC/C=C1\CC[NH2+]C[C@H]1C 308140720 572823703 /nfs/dbraw/zinc/82/37/03/572823703.db2.gz SOQZAYYRXXBYIP-LAPSENCUSA-N 1 0 181.323 3.123 10 0 AGAERO CCCCC/C=C1/CC[NH2+]C[C@H]1C 308140719 572823928 /nfs/dbraw/zinc/82/39/28/572823928.db2.gz SOQZAYYRXXBYIP-HBZGRHIISA-N 1 0 181.323 3.123 10 0 AGAERO CCCCCCn1cccc1[C@@H](C)[NH3+] 85834646 572823937 /nfs/dbraw/zinc/82/39/37/572823937.db2.gz LDNJIDFFRYFVNW-LLVKDONJSA-N 1 0 194.322 3.088 10 0 AGAERO CCCCCCn1ccc([C@@H](C)[NH3+])c1 85836477 572824021 /nfs/dbraw/zinc/82/40/21/572824021.db2.gz PTHQOKJQKUGMHN-LLVKDONJSA-N 1 0 194.322 3.088 10 0 AGAERO [NH3+]C1(CCCCF)CCCCCC1 308139725 572824180 /nfs/dbraw/zinc/82/41/80/572824180.db2.gz KLUKIIPQCMVHNY-UHFFFAOYSA-N 1 0 187.302 3.178 10 0 AGAERO CCC(CC)[C@H]1[NH2+]CC1(CC)CC 308141161 572824612 /nfs/dbraw/zinc/82/46/12/572824612.db2.gz UAKBOYCUUGSLEO-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)C[C@H](C)[C@@H]([NH3+])CC1CCC1 308140816 572824724 /nfs/dbraw/zinc/82/47/24/572824724.db2.gz LBSKHFQFUKBNPB-JQWIXIFHSA-N 1 0 183.339 3.186 10 0 AGAERO CCCCCCn1cccc1[C@H](C)[NH3+] 85834649 572825012 /nfs/dbraw/zinc/82/50/12/572825012.db2.gz LDNJIDFFRYFVNW-NSHDSACASA-N 1 0 194.322 3.088 10 0 AGAERO C[C@@H](CCC[NH3+])CCC1CCCC1 308141098 572825054 /nfs/dbraw/zinc/82/50/54/572825054.db2.gz SYEQPLPTYYZKBQ-NSHDSACASA-N 1 0 183.339 3.332 10 0 AGAERO CCC(CC)[C@@H]1[NH2+]CC1(CC)CC 308141162 572825281 /nfs/dbraw/zinc/82/52/81/572825281.db2.gz UAKBOYCUUGSLEO-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO CCCCCCn1ccc([C@H](C)[NH3+])c1 85836483 572825600 /nfs/dbraw/zinc/82/56/00/572825600.db2.gz PTHQOKJQKUGMHN-NSHDSACASA-N 1 0 194.322 3.088 10 0 AGAERO CC(C)C[C@H](C)[N@H+](C)CC1CCC1 308141331 572825687 /nfs/dbraw/zinc/82/56/87/572825687.db2.gz ISYCZLGKIGSJMW-NSHDSACASA-N 1 0 183.339 3.153 10 0 AGAERO CC(C)C[C@H](C)[C@H]([NH3+])CC1CCC1 308140815 572826000 /nfs/dbraw/zinc/82/60/00/572826000.db2.gz LBSKHFQFUKBNPB-CMPLNLGQSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)(C)CC[C@@](C)(F)CCC[NH3+] 308141123 572826082 /nfs/dbraw/zinc/82/60/82/572826082.db2.gz TVGZNVPAXHUCCN-NSHDSACASA-N 1 0 189.318 3.280 10 0 AGAERO CC(C)(C)CC[C@](C)(F)CCC[NH3+] 308141122 572826088 /nfs/dbraw/zinc/82/60/88/572826088.db2.gz TVGZNVPAXHUCCN-LLVKDONJSA-N 1 0 189.318 3.280 10 0 AGAERO CCCCn1ccc([C@@H]([NH3+])CCC)c1 85842084 572826495 /nfs/dbraw/zinc/82/64/95/572826495.db2.gz HJBKPTFNCVUSPO-LBPRGKRZSA-N 1 0 194.322 3.088 10 0 AGAERO CC(C)C[C@@H](C)[C@@H]([NH3+])CC1CCC1 308140817 572826497 /nfs/dbraw/zinc/82/64/97/572826497.db2.gz LBSKHFQFUKBNPB-PWSUYJOCSA-N 1 0 183.339 3.186 10 0 AGAERO CCCCn1ccc([C@H]([NH3+])CCC)c1 85842080 572826848 /nfs/dbraw/zinc/82/68/48/572826848.db2.gz HJBKPTFNCVUSPO-GFCCVEGCSA-N 1 0 194.322 3.088 10 0 AGAERO CCCCCn1ccc([C@H]([NH3+])CC)c1 85839558 572826905 /nfs/dbraw/zinc/82/69/05/572826905.db2.gz LQLHJAWTJYUNEA-GFCCVEGCSA-N 1 0 194.322 3.088 10 0 AGAERO CC(C)C[C@@H](C)[C@H]([NH3+])CC1CCC1 308140818 572826976 /nfs/dbraw/zinc/82/69/76/572826976.db2.gz LBSKHFQFUKBNPB-ZYHUDNBSSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)C[C@@H](C)[N@H+](C)CC1CCC1 308141330 572827212 /nfs/dbraw/zinc/82/72/12/572827212.db2.gz ISYCZLGKIGSJMW-LLVKDONJSA-N 1 0 183.339 3.153 10 0 AGAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)C 308141971 572828815 /nfs/dbraw/zinc/82/88/15/572828815.db2.gz JFKSITOJHRWUJG-QWRGUYRKSA-N 1 0 183.339 3.057 10 0 AGAERO CCCCCn1ccc([C@@H]([NH3+])CC)c1 85839560 572828935 /nfs/dbraw/zinc/82/89/35/572828935.db2.gz LQLHJAWTJYUNEA-LBPRGKRZSA-N 1 0 194.322 3.088 10 0 AGAERO CCCCC[C@@H]1[NH2+]CC1(CC)CC 308141594 572829101 /nfs/dbraw/zinc/82/91/01/572829101.db2.gz UMWFBDKHDNRWJH-NSHDSACASA-N 1 0 183.339 3.345 10 0 AGAERO CC[NH2+]C[C@@H]1CCC[C@H](C(C)C)C1 231019669 572829524 /nfs/dbraw/zinc/82/95/24/572829524.db2.gz XSNPHWIZMBJXAN-NEPJUHHUSA-N 1 0 183.339 3.058 10 0 AGAERO CCCC/C=C\C[NH2+]Cc1ccco1 214781472 572829726 /nfs/dbraw/zinc/82/97/26/572829726.db2.gz LIKJMFQVBCBLCW-WAYWQWQTSA-N 1 0 193.290 3.116 10 0 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JFKSITOJHRWUJG-GHMZBOCLSA-N 1 0 183.339 3.057 10 0 AGAERO CC(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(C)C 308141969 572830694 /nfs/dbraw/zinc/83/06/94/572830694.db2.gz JFKSITOJHRWUJG-MNOVXSKESA-N 1 0 183.339 3.057 10 0 AGAERO CC[NH2+][C@H](C(C)C)[C@H]1CCC[C@H]1C 252580212 572831316 /nfs/dbraw/zinc/83/13/16/572831316.db2.gz PSRDDQXREOHDKJ-GRYCIOLGSA-N 1 0 183.339 3.057 10 0 AGAERO CCCC[C@]1(CC)CCCCC[NH2+]1 85875093 572831662 /nfs/dbraw/zinc/83/16/62/572831662.db2.gz VXNSRLVQJLEEPV-GFCCVEGCSA-N 1 0 183.339 3.489 10 0 AGAERO CC[C@]1(CCC2CC2)CCCCC[NH2+]1 85875543 572831964 /nfs/dbraw/zinc/83/19/64/572831964.db2.gz IKECCXRUTMFVOL-CYBMUJFWSA-N 1 0 195.350 3.489 10 0 AGAERO CCC[C@]1(CC2CC2)CCCCC[NH2+]1 85876335 572832069 /nfs/dbraw/zinc/83/20/69/572832069.db2.gz RMNSQBZPTUHNGZ-CYBMUJFWSA-N 1 0 195.350 3.489 10 0 AGAERO CC[C@@H](C)[N@H+](CC)[C@@H](C)C(C)C 307952439 572832081 /nfs/dbraw/zinc/83/20/81/572832081.db2.gz OYUFRYJKFACSLA-MNOVXSKESA-N 1 0 171.328 3.151 10 0 AGAERO CC[C@H](C)[N@H+](CC)[C@@H](C)C(C)C 307952441 572832098 /nfs/dbraw/zinc/83/20/98/572832098.db2.gz OYUFRYJKFACSLA-QWRGUYRKSA-N 1 0 171.328 3.151 10 0 AGAERO CC[C@@]1(CCC2CC2)CCCCC[NH2+]1 85875550 572832356 /nfs/dbraw/zinc/83/23/56/572832356.db2.gz IKECCXRUTMFVOL-ZDUSSCGKSA-N 1 0 195.350 3.489 10 0 AGAERO CC[C@@H](C)[N@H+](CC)[C@H](C)C(C)C 307952438 572832484 /nfs/dbraw/zinc/83/24/84/572832484.db2.gz OYUFRYJKFACSLA-GHMZBOCLSA-N 1 0 171.328 3.151 10 0 AGAERO CC[NH2+][C@H](C(C)C)[C@@H]1CCC[C@H]1C 252580213 572832531 /nfs/dbraw/zinc/83/25/31/572832531.db2.gz PSRDDQXREOHDKJ-IJLUTSLNSA-N 1 0 183.339 3.057 10 0 AGAERO CCCC[C@@]1(CC)CCCCC[NH2+]1 85875099 572832741 /nfs/dbraw/zinc/83/27/41/572832741.db2.gz VXNSRLVQJLEEPV-LBPRGKRZSA-N 1 0 183.339 3.489 10 0 AGAERO CC[NH2+]CC/C=C/[C@H](C)CC(C)C 308142551 572832794 /nfs/dbraw/zinc/83/27/94/572832794.db2.gz MFNWQHARZKIFKV-WMADIVHISA-N 1 0 183.339 3.224 10 0 AGAERO CC[NH2+]CC/C=C\[C@H](C)CC(C)C 308142547 572832849 /nfs/dbraw/zinc/83/28/49/572832849.db2.gz MFNWQHARZKIFKV-VFFGBVLKSA-N 1 0 183.339 3.224 10 0 AGAERO CC[C@@H](C)C[NH2+][C@@H]1CCC[C@@H](C)C1 222509149 572834819 /nfs/dbraw/zinc/83/48/19/572834819.db2.gz PNRORBFISNQWNV-IJLUTSLNSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)C[NH2+][C@@H]1CCC[C@H]1C(C)C 308142927 572835427 /nfs/dbraw/zinc/83/54/27/572835427.db2.gz JTVFMDWGXLPDDG-NWDGAFQWSA-N 1 0 183.339 3.057 10 0 AGAERO CC(C)C[NH2+][C@H]1CCC[C@H]1C(C)C 308142928 572835662 /nfs/dbraw/zinc/83/56/62/572835662.db2.gz JTVFMDWGXLPDDG-RYUDHWBXSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@@H](C)c1ccc(C2([NH3+])CC2)cc1 71500529 572835746 /nfs/dbraw/zinc/83/57/46/572835746.db2.gz VXSSHBBMWGOGAV-SNVBAGLBSA-N 1 0 189.302 3.148 10 0 AGAERO CC(C)C[NH2+][C@H]1CCC[C@@H]1C(C)C 308142926 572835749 /nfs/dbraw/zinc/83/57/49/572835749.db2.gz JTVFMDWGXLPDDG-NEPJUHHUSA-N 1 0 183.339 3.057 10 0 AGAERO Cc1cc(C)c([C@@H]([NH3+])C2CC2)cc1C 71500552 572835769 /nfs/dbraw/zinc/83/57/69/572835769.db2.gz PEYFIIIAJBEPGP-ZDUSSCGKSA-N 1 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/nfs/dbraw/zinc/83/77/71/572837771.db2.gz PEYFIIIAJBEPGP-CYBMUJFWSA-N 1 0 189.302 3.022 10 0 AGAERO Cc1ccc([C@](C)([NH3+])C(C)C)cc1C 50014318 572838116 /nfs/dbraw/zinc/83/81/16/572838116.db2.gz SUQUXLKRAXYKJR-CYBMUJFWSA-N 1 0 191.318 3.133 10 0 AGAERO Cc1ccc([C@@](C)([NH3+])C(C)C)cc1C 50014319 572838299 /nfs/dbraw/zinc/83/82/99/572838299.db2.gz SUQUXLKRAXYKJR-ZDUSSCGKSA-N 1 0 191.318 3.133 10 0 AGAERO CC(C)(C)CCC[N@@H+]1CCC1(C)C 308148393 572838511 /nfs/dbraw/zinc/83/85/11/572838511.db2.gz MVKUDJHLQKRVMA-UHFFFAOYSA-N 1 0 183.339 3.297 10 0 AGAERO CCC(CC)[NH2+]C/C(Cl)=C/Cl 85976865 572838894 /nfs/dbraw/zinc/83/88/94/572838894.db2.gz CCXJTWFOBGDNGL-ALCCZGGFSA-N 1 0 196.121 3.084 10 0 AGAERO CCC[C@@H](C)[NH2+]C/C(Cl)=C/Cl 85976919 572838978 /nfs/dbraw/zinc/83/89/78/572838978.db2.gz HNVMXTKLLINUCQ-BESBCXERSA-N 1 0 196.121 3.084 10 0 AGAERO C[NH2+]C(C)(C)c1ccc(C(C)C)cc1 71506003 572839021 /nfs/dbraw/zinc/83/90/21/572839021.db2.gz OBWLMZMZTTUHLH-UHFFFAOYSA-N 1 0 191.318 3.265 10 0 AGAERO CCCCC[NH2+]C/C(Cl)=C/Cl 85976909 572839144 /nfs/dbraw/zinc/83/91/44/572839144.db2.gz UCCNOCLEFGFTMX-VURMDHGXSA-N 1 0 196.121 3.085 10 0 AGAERO [NH3+]CCCCCc1ccccc1Cl 71507648 572839201 /nfs/dbraw/zinc/83/92/01/572839201.db2.gz PDGQXZYCUFCFRT-UHFFFAOYSA-N 1 0 197.709 3.012 10 0 AGAERO Cc1ccc(C)c([C@](C)([NH3+])C(C)C)c1 50014462 572839354 /nfs/dbraw/zinc/83/93/54/572839354.db2.gz DORMHHGYBNQNIM-CYBMUJFWSA-N 1 0 191.318 3.133 10 0 AGAERO CCC[C@H](C)[NH2+]C/C(Cl)=C/Cl 85976923 572839426 /nfs/dbraw/zinc/83/94/26/572839426.db2.gz HNVMXTKLLINUCQ-BJMRUTCWSA-N 1 0 196.121 3.084 10 0 AGAERO CCC[C@H]([NH3+])CCCSC(C)C 307957750 572839931 /nfs/dbraw/zinc/83/99/31/572839931.db2.gz HGWBTAVLPBCRNM-JTQLQIEISA-N 1 0 189.368 3.036 10 0 AGAERO CC(C)[C@H]1CCC[C@H](C[NH2+]C2CC2)C1 231019706 572840179 /nfs/dbraw/zinc/84/01/79/572840179.db2.gz MVPGNWKUQGYUKD-RYUDHWBXSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H](CC(F)F)[NH2+]CCC(C)(C)C 308148817 572840613 /nfs/dbraw/zinc/84/06/13/572840613.db2.gz NFKQUOPWUDMGQH-QMMMGPOBSA-N 1 0 193.281 3.056 10 0 AGAERO C[NH2+]C1(c2cccs2)CCCCC1 71507239 572840802 /nfs/dbraw/zinc/84/08/02/572840802.db2.gz ONFXZSPICVDPJN-UHFFFAOYSA-N 1 0 195.331 3.127 10 0 AGAERO C[NH2+]C(C)(C)c1cc(C)c(C)cc1C 71506022 572841138 /nfs/dbraw/zinc/84/11/38/572841138.db2.gz QFWHQFHKHNBLIQ-UHFFFAOYSA-N 1 0 191.318 3.066 10 0 AGAERO [NH3+]CCCCCc1cccc(Cl)c1 71507649 572841278 /nfs/dbraw/zinc/84/12/78/572841278.db2.gz SNAWIUXQQSYSIB-UHFFFAOYSA-N 1 0 197.709 3.012 10 0 AGAERO CCC[C@@H]([NH3+])CCCSC(C)C 307957751 572841667 /nfs/dbraw/zinc/84/16/67/572841667.db2.gz HGWBTAVLPBCRNM-SNVBAGLBSA-N 1 0 189.368 3.036 10 0 AGAERO C[NH2+]C(C)(C)c1c(C)cc(C)cc1C 71506004 572842024 /nfs/dbraw/zinc/84/20/24/572842024.db2.gz WJKCVFZFFYJEQM-UHFFFAOYSA-N 1 0 191.318 3.066 10 0 AGAERO CC(C)(C)CC[C@@H]([NH3+])CCCCF 308150283 572844740 /nfs/dbraw/zinc/84/47/40/572844740.db2.gz QLXHKTVAFVNLQB-JTQLQIEISA-N 1 0 189.318 3.280 10 0 AGAERO CC(C)C[C@@H](C)C(C)(C)C[C@H](C)[NH3+] 308149364 572842993 /nfs/dbraw/zinc/84/29/93/572842993.db2.gz QAGMJHSBPXKVJR-MNOVXSKESA-N 1 0 185.355 3.432 10 0 AGAERO CC(C)C[C@@H](C)C(C)(C)C[C@@H](C)[NH3+] 308149363 572843018 /nfs/dbraw/zinc/84/30/18/572843018.db2.gz QAGMJHSBPXKVJR-GHMZBOCLSA-N 1 0 185.355 3.432 10 0 AGAERO CC(C)(C)CC[C@H]([NH3+])CCCCF 308150284 572843072 /nfs/dbraw/zinc/84/30/72/572843072.db2.gz QLXHKTVAFVNLQB-SNVBAGLBSA-N 1 0 189.318 3.280 10 0 AGAERO CC[C@H](C)[C@H](C)[NH2+]C1(C)CCCC1 307954562 572843343 /nfs/dbraw/zinc/84/33/43/572843343.db2.gz IAJYEEDHTKOTTG-QWRGUYRKSA-N 1 0 183.339 3.343 10 0 AGAERO CC[C@@H](C)[C@@H](C)[NH2+]C1(C)CCCC1 307954560 572843385 /nfs/dbraw/zinc/84/33/85/572843385.db2.gz IAJYEEDHTKOTTG-GHMZBOCLSA-N 1 0 183.339 3.343 10 0 AGAERO CC[C@@H](C)[C@H](C)[NH2+]C1(C)CCCC1 307954561 572844310 /nfs/dbraw/zinc/84/43/10/572844310.db2.gz IAJYEEDHTKOTTG-MNOVXSKESA-N 1 0 183.339 3.343 10 0 AGAERO CC[C@H](C)[C@@H](C)[NH2+]C1(C)CCCC1 307954563 572844587 /nfs/dbraw/zinc/84/45/87/572844587.db2.gz 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ASJJRPUGUNMOQR-PKNBQFBNSA-N 1 0 181.323 3.123 10 0 AGAERO C/C(=C\C(C)(C)C)C[NH2+]CC(C)C 86229216 572894153 /nfs/dbraw/zinc/89/41/53/572894153.db2.gz NQHRJPIULKNXEN-YRNVUSSQSA-N 1 0 183.339 3.224 10 0 AGAERO C/C(=C/Cl)C[NH2+]C[C@@H](C)C(C)C 307973255 572894211 /nfs/dbraw/zinc/89/42/11/572894211.db2.gz BNYDVZAFBNNRKN-HYHWUIIZSA-N 1 0 189.730 3.011 10 0 AGAERO C(/C=C/c1ccccc1)=C\C[NH2+]C1CC1 86228137 572894214 /nfs/dbraw/zinc/89/42/14/572894214.db2.gz VETRSSUSFJGGBW-VDESZNBCSA-N 1 0 199.297 3.008 10 0 AGAERO CC(C)C[NH2+]C/C=C/c1ccsc1 86228316 572894346 /nfs/dbraw/zinc/89/43/46/572894346.db2.gz JFZHVJIPJAIXQY-ONEGZZNKSA-N 1 0 195.331 3.007 10 0 AGAERO C/C(=C\c1ccsc1)C[NH2+]C(C)C 86228927 572894353 /nfs/dbraw/zinc/89/43/53/572894353.db2.gz SDYFRUBLHSDLHC-UXBLZVDNSA-N 1 0 195.331 3.149 10 0 AGAERO CCC1([C@H]([NH3+])CCCC(C)C)CC1 308163630 572894458 /nfs/dbraw/zinc/89/44/58/572894458.db2.gz YFTJICNWASNPKC-LLVKDONJSA-N 1 0 183.339 3.330 10 0 AGAERO CC(C)(C)[NH2+]C/C=C/c1ccsc1 86228218 572894484 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3.146 10 0 AGAERO CCC[C@H](C)[C@H]([NH3+])[C@@H](C)CC(C)C 308175295 572897782 /nfs/dbraw/zinc/89/77/82/572897782.db2.gz FAZOSZOPHVACFD-SRVKXCTJSA-N 1 0 185.355 3.432 10 0 AGAERO CCCC1([C@H]([NH3+])C2=CCCC2)CC1 308176618 572897913 /nfs/dbraw/zinc/89/79/13/572897913.db2.gz ATSIZPYQDPNWRD-LLVKDONJSA-N 1 0 179.307 3.004 10 0 AGAERO Cc1ccc(C)c([C@@H](C)CCC[NH3+])c1 71506014 572897936 /nfs/dbraw/zinc/89/79/36/572897936.db2.gz WJAAZYZPKDFOKY-NSHDSACASA-N 1 0 191.318 3.146 10 0 AGAERO CCC[C@H](C)[C@@H]([NH3+])[C@H](C)CC(C)C 308175290 572898010 /nfs/dbraw/zinc/89/80/10/572898010.db2.gz FAZOSZOPHVACFD-QJPTWQEYSA-N 1 0 185.355 3.432 10 0 AGAERO CC[C@H]([NH2+]C1C(C)(C)C1(C)C)C(C)C 86239548 572898104 /nfs/dbraw/zinc/89/81/04/572898104.db2.gz DONQPLQFLOKUNT-JTQLQIEISA-N 1 0 197.366 3.445 10 0 AGAERO CC[C@@H]([NH2+]C1C(C)(C)C1(C)C)C1CC1 86239660 572898176 /nfs/dbraw/zinc/89/81/76/572898176.db2.gz CDXIRVHBDOAKMH-SNVBAGLBSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)CC[NH2+]CC1C(C)(C)C1(C)C 86238181 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KHKBILCFBJLAIN-UHFFFAOYSA-N 1 0 195.350 3.058 10 0 AGAERO CCCCC[NH2+]CC1C(C)(C)C1(C)C 86239390 572898460 /nfs/dbraw/zinc/89/84/60/572898460.db2.gz JLABENYDGVXGJK-UHFFFAOYSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)C(C(C)C)[C@H]([NH3+])CC1CC1 308176097 572898556 /nfs/dbraw/zinc/89/85/56/572898556.db2.gz FLEBCBKQNUNYDH-LLVKDONJSA-N 1 0 183.339 3.042 10 0 AGAERO CC(C)C[C@H](C)[NH2+]C1C(C)(C)C1(C)C 86239628 572898617 /nfs/dbraw/zinc/89/86/17/572898617.db2.gz DFNLXERZDICLHZ-JTQLQIEISA-N 1 0 197.366 3.445 10 0 AGAERO Cc1ccc(/C=C/CCC[NH3+])cc1C 71500493 572898716 /nfs/dbraw/zinc/89/87/16/572898716.db2.gz NHWMOILRTXYGJC-GQCTYLIASA-N 1 0 189.302 3.056 10 0 AGAERO CCC[C@@H](C)C[NH2+]C1C(C)(C)C1(C)C 86239804 572898750 /nfs/dbraw/zinc/89/87/50/572898750.db2.gz OEPJYDWFVONNOR-SNVBAGLBSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)C(CC[NH2+]C1CC1)C(C)C 308176071 572898794 /nfs/dbraw/zinc/89/87/94/572898794.db2.gz FJUQDIBTRCSWOT-UHFFFAOYSA-N 1 0 183.339 3.057 10 0 AGAERO CC(C)[C@H](C)[NH2+]CC1C(C)(C)C1(C)C 86239497 572898826 /nfs/dbraw/zinc/89/88/26/572898826.db2.gz UUMSCJBZQXSZDB-JTQLQIEISA-N 1 0 197.366 3.303 10 0 AGAERO CC(C)(C)CC[NH2+]C1C(C)(C)C1(C)C 86239858 572898836 /nfs/dbraw/zinc/89/88/36/572898836.db2.gz LIBRMDYXMSBDDW-UHFFFAOYSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@H](C)C[NH2+]C1C(C)(C)C1(C)C 86239805 572899045 /nfs/dbraw/zinc/89/90/45/572899045.db2.gz OEPJYDWFVONNOR-JTQLQIEISA-N 1 0 197.366 3.447 10 0 AGAERO CCCCC[NH2+]C1C(C)(C)C1(C)C 86239725 572899090 /nfs/dbraw/zinc/89/90/90/572899090.db2.gz QTDMUEDPVFTIST-UHFFFAOYSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)[NH2+]C1C(C)(C)C1(C)C 86239731 572899109 /nfs/dbraw/zinc/89/91/09/572899109.db2.gz GNQAGVIHRYUNFY-UHFFFAOYSA-N 1 0 183.339 3.199 10 0 AGAERO CCC[C@H](C)[NH2+]C1C(C)(C)C1(C)C 86239747 572899120 /nfs/dbraw/zinc/89/91/20/572899120.db2.gz DQKSHIRURKPXQC-VIFPVBQESA-N 1 0 183.339 3.199 10 0 AGAERO CC[C@@H](C)C[NH2+]C1C(C)(C)C1(C)C 86239751 572899185 /nfs/dbraw/zinc/89/91/85/572899185.db2.gz OFNXBMGALAHAPG-SECBINFHSA-N 1 0 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572914862 /nfs/dbraw/zinc/91/48/62/572914862.db2.gz IEVBUIWWOLLELL-GXSJLCMTSA-N 1 0 197.347 3.430 10 0 AGAERO CCCCC(CCCC)[NH2+]CC 86315429 572915337 /nfs/dbraw/zinc/91/53/37/572915337.db2.gz JOMIXJRHYSTXEA-UHFFFAOYSA-N 1 0 171.328 3.345 10 0 AGAERO CCCC[C@H](CC1CCCC1)[NH2+]C 86315126 572915392 /nfs/dbraw/zinc/91/53/92/572915392.db2.gz WQKIXAXYPRBBRM-GFCCVEGCSA-N 1 0 183.339 3.345 10 0 AGAERO CC/C(=C/[C@]1(C)C[C@@H]1C)C[NH2+]C(C)C 714597216 572915593 /nfs/dbraw/zinc/91/55/93/572915593.db2.gz PNOSGWDHXIZFSC-LXSPXAAKSA-N 1 0 195.350 3.367 10 0 AGAERO CCCC[C@H](CC1CC1)[NH2+]CCC 86315560 572915628 /nfs/dbraw/zinc/91/56/28/572915628.db2.gz WLGYRPAFYLZILR-GFCCVEGCSA-N 1 0 183.339 3.345 10 0 AGAERO CC/C(=C/[C@]1(C)C[C@H]1C)C[NH2+]C(C)C 714597211 572915845 /nfs/dbraw/zinc/91/58/45/572915845.db2.gz PNOSGWDHXIZFSC-GROCXKSISA-N 1 0 195.350 3.367 10 0 AGAERO CCCC[C@@H](CC1CC1)[NH2+]CCC 86315559 572916095 /nfs/dbraw/zinc/91/60/95/572916095.db2.gz WLGYRPAFYLZILR-LBPRGKRZSA-N 1 0 183.339 3.345 10 0 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/nfs/dbraw/zinc/91/63/21/572916321.db2.gz PNOSGWDHXIZFSC-OVJSSFAUSA-N 1 0 195.350 3.367 10 0 AGAERO CCCCC[C@H](CCCC)[NH2+]C 86315106 572916864 /nfs/dbraw/zinc/91/68/64/572916864.db2.gz HVQANFKUSVSRRJ-NSHDSACASA-N 1 0 171.328 3.345 10 0 AGAERO CCCCC[C@@H](CCCC)[NH2+]C 86315105 572916420 /nfs/dbraw/zinc/91/64/20/572916420.db2.gz HVQANFKUSVSRRJ-LLVKDONJSA-N 1 0 171.328 3.345 10 0 AGAERO CCCC[C@@H](C=C(C)C)[NH2+]CC 86315415 572916451 /nfs/dbraw/zinc/91/64/51/572916451.db2.gz WCPYNANCOHRYEU-NSHDSACASA-N 1 0 169.312 3.121 10 0 AGAERO CCCC[C@H](C=C(C)C)[NH2+]CC 86315416 572916596 /nfs/dbraw/zinc/91/65/96/572916596.db2.gz WCPYNANCOHRYEU-LLVKDONJSA-N 1 0 169.312 3.121 10 0 AGAERO CCCC[C@H](CCC(F)(F)F)[NH2+]C 86315314 572916608 /nfs/dbraw/zinc/91/66/08/572916608.db2.gz XZFGWMPAETUISZ-MRVPVSSYSA-N 1 0 197.244 3.107 10 0 AGAERO CC[C@H](CC(F)F)C[C@@](C)([NH3+])CC 688713676 572916746 /nfs/dbraw/zinc/91/67/46/572916746.db2.gz JWKBZLHRBGGOPQ-SCZZXKLOSA-N 1 0 193.281 3.185 10 0 AGAERO CCCC[C@@H](CCC(F)(F)F)[NH2+]C 86315313 572916791 /nfs/dbraw/zinc/91/67/91/572916791.db2.gz XZFGWMPAETUISZ-QMMMGPOBSA-N 1 0 197.244 3.107 10 0 AGAERO CCCC[C@@H](CC1CCC1)[NH2+]CC 86315421 572916821 /nfs/dbraw/zinc/91/68/21/572916821.db2.gz PVLIJMUNTPVBNB-LBPRGKRZSA-N 1 0 183.339 3.345 10 0 AGAERO C1=C[C@@H]2[NH2+][C@@H](c3ccccc3)C[C@@H]2CC1 238042624 572916900 /nfs/dbraw/zinc/91/69/00/572916900.db2.gz OHJYXCXDNGJSPO-MELADBBJSA-N 1 0 199.297 3.056 10 0 AGAERO CC(C)/C(=C\[C@H](C)C(C)(C)C)C[NH3+] 308188854 572917017 /nfs/dbraw/zinc/91/70/17/572917017.db2.gz MAIXVJAZPSHLBX-QBQSQJOESA-N 1 0 183.339 3.210 10 0 AGAERO CC(C)/C(=C\[C@@H](C)C(C)(C)C)C[NH3+] 308188852 572917650 /nfs/dbraw/zinc/91/76/50/572917650.db2.gz MAIXVJAZPSHLBX-PAKSIRSJSA-N 1 0 183.339 3.210 10 0 AGAERO C1=C[C@@H]2[NH2+][C@H](c3ccccc3)C[C@@H]2CC1 238042470 572917741 /nfs/dbraw/zinc/91/77/41/572917741.db2.gz OHJYXCXDNGJSPO-IHRRRGAJSA-N 1 0 199.297 3.056 10 0 AGAERO CCCC[C@@H]([NH3+])CC1CCCC1 86322670 572917813 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3.330 10 0 AGAERO CCCC[C@@H]([NH3+])C[C@@H](C)CCC 86322843 572918680 /nfs/dbraw/zinc/91/86/80/572918680.db2.gz VOKMOLWWAHYRQG-WDEREUQCSA-N 1 0 171.328 3.330 10 0 AGAERO c1ccc2c(OC3CCC3)ccnc2c1 238053864 572918756 /nfs/dbraw/zinc/91/87/56/572918756.db2.gz CDJWODPXGNPVOR-UHFFFAOYSA-N 1 0 199.253 3.166 10 0 AGAERO CC(C)[C@@]1(C)C[C@@H]1[NH2+]C[C@@]1(C)C[C@H]1C 714604820 572918763 /nfs/dbraw/zinc/91/87/63/572918763.db2.gz PILARMPHXJYFLV-YVECIDJPSA-N 1 0 195.350 3.057 10 0 AGAERO CC(C)CCC[C@@](C)(F)CCC[NH3+] 308188905 572918772 /nfs/dbraw/zinc/91/87/72/572918772.db2.gz HRYLJBQTQKRUJH-LLVKDONJSA-N 1 0 189.318 3.280 10 0 AGAERO CCCC[C@@H]([NH3+])C[C@H](C)CCC 86322848 572918850 /nfs/dbraw/zinc/91/88/50/572918850.db2.gz VOKMOLWWAHYRQG-GHMZBOCLSA-N 1 0 171.328 3.330 10 0 AGAERO CCCC[C@H]([NH3+])CCc1cccs1 86322735 572918870 /nfs/dbraw/zinc/91/88/70/572918870.db2.gz ZVINXALZCPRJRH-JTQLQIEISA-N 1 0 197.347 3.198 10 0 AGAERO CCCC[C@@H]([NH3+])CCc1cccs1 86322737 572919105 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C[C@H](CCC1CC1)[NH2+]C[C@@]1(C)C[C@H]1C 714599080 572919707 /nfs/dbraw/zinc/91/97/07/572919707.db2.gz BCEPMXIMGRFZIP-NQBHXWOUSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@H](CCC1CC1)[NH2+]C[C@]1(C)C[C@H]1C 714599107 572919792 /nfs/dbraw/zinc/91/97/92/572919792.db2.gz BCEPMXIMGRFZIP-WZRBSPASSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@@H](C)/C=C(/C)CCCC[NH3+] 308190086 572920985 /nfs/dbraw/zinc/92/09/85/572920985.db2.gz ITGJTHYUXPZULK-JPQYHBGPSA-N 1 0 183.339 3.498 10 0 AGAERO CC/C=C\C[C@@H](C)[NH2+]CCCC 205210639 572921009 /nfs/dbraw/zinc/92/10/09/572921009.db2.gz PXNKRVVYUXUFOO-BPOWMSRESA-N 1 0 169.312 3.121 10 0 AGAERO CC/C=C\C[C@H](C)[NH2+]CCCC 205210618 572921482 /nfs/dbraw/zinc/92/14/82/572921482.db2.gz PXNKRVVYUXUFOO-JYKYSHPRSA-N 1 0 169.312 3.121 10 0 AGAERO CCC[C@H](C)/C=C(\C)CCCC[NH3+] 308190089 572921593 /nfs/dbraw/zinc/92/15/93/572921593.db2.gz ITGJTHYUXPZULK-OCUQMRJBSA-N 1 0 183.339 3.498 10 0 AGAERO CCC[C@H](C)/C=C(/C)CCCC[NH3+] 308190088 572921638 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191.318 3.098 10 0 AGAERO CCC[C@H](C[NH2+]C)c1cccc(C)c1 86357237 572922661 /nfs/dbraw/zinc/92/26/61/572922661.db2.gz IDTHLSRJJKQIEB-CYBMUJFWSA-N 1 0 191.318 3.098 10 0 AGAERO CC(C)C[C@H](C)C[C@H](F)C(C)(C)[NH3+] 308192523 572922750 /nfs/dbraw/zinc/92/27/50/572922750.db2.gz KLIQCWOWCAVCNP-UWVGGRQHSA-N 1 0 189.318 3.134 10 0 AGAERO CC[NH2+][C@H](C1CC1)[C@@H](C)CC(C)C 308194693 572923015 /nfs/dbraw/zinc/92/30/15/572923015.db2.gz PZWRDXBOYHUAJP-JQWIXIFHSA-N 1 0 183.339 3.057 10 0 AGAERO CC[NH2+][C@@H](C1CC1)[C@H](C)CC(C)C 308194695 572923656 /nfs/dbraw/zinc/92/36/56/572923656.db2.gz PZWRDXBOYHUAJP-ZYHUDNBSSA-N 1 0 183.339 3.057 10 0 AGAERO CC[NH2+][C@H](C)/C=C/[C@@H](C)C(C)(C)C 308193458 572923355 /nfs/dbraw/zinc/92/33/55/572923355.db2.gz PELNAFWFYIMLOD-WUNNSPOASA-N 1 0 183.339 3.223 10 0 AGAERO CC[NH2+]CC[C@H](C)[C@@H](C)CC(C)C 308193971 572923442 /nfs/dbraw/zinc/92/34/42/572923442.db2.gz PMGMTVSFDZBLJS-RYUDHWBXSA-N 1 0 185.355 3.304 10 0 AGAERO CCC(CC)[C@](C)(F)CCCC[NH3+] 308194137 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185.355 3.304 10 0 AGAERO CCCC[C@@H](C[NH3+])c1ccc(F)cc1 86364711 572924105 /nfs/dbraw/zinc/92/41/05/572924105.db2.gz ZHIAKHIHHFKLNI-NSHDSACASA-N 1 0 195.281 3.058 10 0 AGAERO C/C=C\CC[NH2+]Cc1ccsc1C 308194524 572924123 /nfs/dbraw/zinc/92/41/23/572924123.db2.gz LQQOEKCWYZISSV-ARJAWSKDSA-N 1 0 195.331 3.112 10 0 AGAERO C[NH2+]CC[C@H](C)CC1(C)CCCC1 308193711 572924141 /nfs/dbraw/zinc/92/41/41/572924141.db2.gz LDSSFMUNZYRNEQ-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CCC[C@@H](C[NH2+]C)c1ccc(C)cc1 86363878 572924353 /nfs/dbraw/zinc/92/43/53/572924353.db2.gz WEUVVOIIRNNQDL-ZDUSSCGKSA-N 1 0 191.318 3.098 10 0 AGAERO CCCC[C@H](C[NH3+])c1cccc(F)c1 86366857 572924399 /nfs/dbraw/zinc/92/43/99/572924399.db2.gz OHBPCPXPAHMSJL-LLVKDONJSA-N 1 0 195.281 3.058 10 0 AGAERO C/C(=C\CCC(C)C)CCCC[NH3+] 308193394 572924447 /nfs/dbraw/zinc/92/44/47/572924447.db2.gz LABSAIKOFXRFDV-FMIVXFBMSA-N 1 0 183.339 3.498 10 0 AGAERO CC[NH2+]C/C(C)=C\c1ccsc1C 308194130 572924496 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CC[NH2+][C@H](C)/C=C\[C@H](C)C(C)(C)C 308193457 572924862 /nfs/dbraw/zinc/92/48/62/572924862.db2.gz PELNAFWFYIMLOD-DOSOYNOZSA-N 1 0 183.339 3.223 10 0 AGAERO CCCC[C@@H](C[NH3+])c1ccc(C)cc1 86363821 572924990 /nfs/dbraw/zinc/92/49/90/572924990.db2.gz SVMMILVXMRMVCY-ZDUSSCGKSA-N 1 0 191.318 3.228 10 0 AGAERO CCC[C@H](C[NH2+]C)c1ccc(C)cc1 86363880 572925032 /nfs/dbraw/zinc/92/50/32/572925032.db2.gz WEUVVOIIRNNQDL-CYBMUJFWSA-N 1 0 191.318 3.098 10 0 AGAERO CC[C@@H]([NH3+])CCCC1(C)CCCC1 308194485 572925041 /nfs/dbraw/zinc/92/50/41/572925041.db2.gz LOAUNOWOUKAMMF-LLVKDONJSA-N 1 0 183.339 3.474 10 0 AGAERO CC[NH2+][C@H](C1CC1)[C@H](C)CC(C)C 308194694 572925060 /nfs/dbraw/zinc/92/50/60/572925060.db2.gz PZWRDXBOYHUAJP-PWSUYJOCSA-N 1 0 183.339 3.057 10 0 AGAERO CCCC[C@H](C[NH3+])c1ccc(C)cc1 86363822 572925377 /nfs/dbraw/zinc/92/53/77/572925377.db2.gz SVMMILVXMRMVCY-CYBMUJFWSA-N 1 0 191.318 3.228 10 0 AGAERO C[C@H]([NH3+])C[C@@H](C)CC1(C)CCCC1 308199095 572927558 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183.339 3.202 10 0 AGAERO CC[NH2+][C@H](C)CC(C)(C)[C@@H](C)CC 86394165 572932141 /nfs/dbraw/zinc/93/21/41/572932141.db2.gz HJHSMBBPIIPRHM-WDEREUQCSA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@H](C)CC1(C(C)C)C[NH2+]C1 86395891 572932320 /nfs/dbraw/zinc/93/23/20/572932320.db2.gz BBWARQOKHCSQOK-NSHDSACASA-N 1 0 183.339 3.058 10 0 AGAERO CC[NH2+][C@@H](C)CC(C)(C)[C@H](C)CC 86394166 572932343 /nfs/dbraw/zinc/93/23/43/572932343.db2.gz HJHSMBBPIIPRHM-MNOVXSKESA-N 1 0 185.355 3.447 10 0 AGAERO CCC[NH2+][C@@H]1CC[C@@H]([C@@H](C)CC)C1 86394065 572932474 /nfs/dbraw/zinc/93/24/74/572932474.db2.gz OWMJOJRHCBFBBY-QJPTWQEYSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@@H](C)CC(C)(C)[C@@H](C)CC 86394169 572932541 /nfs/dbraw/zinc/93/25/41/572932541.db2.gz HJHSMBBPIIPRHM-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO CC[NH2+][C@H](C)C[C@H](C)[C@@H](C)CC 86394133 572932549 /nfs/dbraw/zinc/93/25/49/572932549.db2.gz RXZQGAWHGZUVTQ-GARJFASQSA-N 1 0 171.328 3.057 10 0 AGAERO CC(C)CC1(CCC(C)(C)C)C[NH2+]C1 86395493 572932556 /nfs/dbraw/zinc/93/25/56/572932556.db2.gz VQVXHYXTULPCNB-UHFFFAOYSA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@H](C)[C@H](C[NH2+]C)c1cccs1 86393260 572932595 /nfs/dbraw/zinc/93/25/95/572932595.db2.gz FBFAZMKOOSSZOS-UWVGGRQHSA-N 1 0 197.347 3.097 10 0 AGAERO CC[C@@H](C)C(C)(C)C[C@H](C)[NH2+]C 86394159 572932613 /nfs/dbraw/zinc/93/26/13/572932613.db2.gz VFRILKMORYHLDH-ZJUUUORDSA-N 1 0 171.328 3.057 10 0 AGAERO CC[C@H](CC1(C)CCCC1)[C@@H](C)[NH3+] 308204997 572932770 /nfs/dbraw/zinc/93/27/70/572932770.db2.gz SHMOLGWRGYOFFL-GHMZBOCLSA-N 1 0 183.339 3.330 10 0 AGAERO CCC[C@@H](C)CC1(C(C)C)C[NH2+]C1 86395889 572932794 /nfs/dbraw/zinc/93/27/94/572932794.db2.gz BBWARQOKHCSQOK-LLVKDONJSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)C[C@H](C)[C@H]([NH3+])CC(C)(C)C 308205100 572932811 /nfs/dbraw/zinc/93/28/11/572932811.db2.gz YEYQVFFSZUYMGM-WDEREUQCSA-N 1 0 185.355 3.432 10 0 AGAERO CCCC[C@H](CC)CC1(C)C[NH2+]C1 86395335 572932829 /nfs/dbraw/zinc/93/28/29/572932829.db2.gz XNZNWSSJTAMAMN-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CCCCCCC1(CCC)C[NH2+]C1 86395632 572932973 /nfs/dbraw/zinc/93/29/73/572932973.db2.gz PNPJOYCJUCTWJH-UHFFFAOYSA-N 1 0 183.339 3.347 10 0 AGAERO CCCCCC1(CC(C)C)C[NH2+]C1 86395542 572933023 /nfs/dbraw/zinc/93/30/23/572933023.db2.gz KNHYVHMUOBFEEV-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO CCC[NH2+][C@@H]1CCC[C@H]1[C@@H](C)CC 86393528 572933090 /nfs/dbraw/zinc/93/30/90/572933090.db2.gz FKDMIKSRYQIVRR-SDDRHHMPSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)C[C@H](C)[C@H](C)CCCC[NH3+] 308204059 572933115 /nfs/dbraw/zinc/93/31/15/572933115.db2.gz RPLWFLSYASMLEC-NEPJUHHUSA-N 1 0 185.355 3.434 10 0 AGAERO CC(C)C[C@H](C)[C@@H](C)CCCC[NH3+] 308204061 572933205 /nfs/dbraw/zinc/93/32/05/572933205.db2.gz RPLWFLSYASMLEC-RYUDHWBXSA-N 1 0 185.355 3.434 10 0 AGAERO CC(C)C[C@@H](C)[C@@H](C)CCCC[NH3+] 308204060 572933266 /nfs/dbraw/zinc/93/32/66/572933266.db2.gz RPLWFLSYASMLEC-NWDGAFQWSA-N 1 0 185.355 3.434 10 0 AGAERO CC[C@]1(C)C[NH2+][C@H]1[C@@H](C)CC(C)C 308204092 572933282 /nfs/dbraw/zinc/93/32/82/572933282.db2.gz RQNISAJSEHWNHF-SDDRHHMPSA-N 1 0 183.339 3.057 10 0 AGAERO CCC1([C@H]([NH3+])CC2CCCC2)CC1 308203761 572933321 /nfs/dbraw/zinc/93/33/21/572933321.db2.gz GJODKTZPMYMHRA-LLVKDONJSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@@H](CCC(C)(C)C)[C@@H]1CC[NH2+]C1 308205174 572933573 /nfs/dbraw/zinc/93/35/73/572933573.db2.gz YJNDCMNIJXJBSI-WDEREUQCSA-N 1 0 183.339 3.058 10 0 AGAERO CC[C@@H](CC1(C)CCCC1)[C@H](C)[NH3+] 308204999 572933648 /nfs/dbraw/zinc/93/36/48/572933648.db2.gz SHMOLGWRGYOFFL-QWRGUYRKSA-N 1 0 183.339 3.330 10 0 AGAERO CCCC[C@@H](CC)CC1CC([NH3+])C1 308203821 572933744 /nfs/dbraw/zinc/93/37/44/572933744.db2.gz GMYSCBGTOABVKE-VOMCLLRMSA-N 1 0 183.339 3.330 10 0 AGAERO C[C@H](CCC(C)(C)C)[C@H]1CC[NH2+]C1 308205171 572934078 /nfs/dbraw/zinc/93/40/78/572934078.db2.gz YJNDCMNIJXJBSI-MNOVXSKESA-N 1 0 183.339 3.058 10 0 AGAERO CC[C@]1(C)C[NH2+][C@H]1[C@H](C)CC(C)C 308204089 572934158 /nfs/dbraw/zinc/93/41/58/572934158.db2.gz RQNISAJSEHWNHF-GRYCIOLGSA-N 1 0 183.339 3.057 10 0 AGAERO C=C/C=C/CC[NH2+][C@H]1CC12CCCC2 713639684 572934345 /nfs/dbraw/zinc/93/43/45/572934345.db2.gz CLKKMWJHSFAWPP-PCAWENJQSA-N 1 0 191.318 3.041 10 0 AGAERO C[C@H](CCC(C)(C)C)[C@@H]1CC[NH2+]C1 308205170 572934433 /nfs/dbraw/zinc/93/44/33/572934433.db2.gz YJNDCMNIJXJBSI-GHMZBOCLSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)C[C@@H](C)[C@@H]([NH3+])CC(C)(C)C 308205097 572934452 /nfs/dbraw/zinc/93/44/52/572934452.db2.gz YEYQVFFSZUYMGM-MNOVXSKESA-N 1 0 185.355 3.432 10 0 AGAERO CC(C)C[C@H](C)[C@@H]([NH3+])CC(C)(C)C 308205098 572934534 /nfs/dbraw/zinc/93/45/34/572934534.db2.gz YEYQVFFSZUYMGM-QWRGUYRKSA-N 1 0 185.355 3.432 10 0 AGAERO CC(C)C[C@@H](C)[C@H]([NH3+])CC(C)(C)C 308205096 572934569 /nfs/dbraw/zinc/93/45/69/572934569.db2.gz YEYQVFFSZUYMGM-GHMZBOCLSA-N 1 0 185.355 3.432 10 0 AGAERO CC(C)C[C@@H](C)[C@H](C)CCCC[NH3+] 308204062 572934581 /nfs/dbraw/zinc/93/45/81/572934581.db2.gz RPLWFLSYASMLEC-VXGBXAGGSA-N 1 0 185.355 3.434 10 0 AGAERO C=C/C=C\CC[NH2+][C@H]1CC12CCCC2 713639682 572934605 /nfs/dbraw/zinc/93/46/05/572934605.db2.gz CLKKMWJHSFAWPP-MVZIDQBPSA-N 1 0 191.318 3.041 10 0 AGAERO C=C/C=C\CC[NH2+][C@@H]1CC12CCCC2 713639687 572934835 /nfs/dbraw/zinc/93/48/35/572934835.db2.gz CLKKMWJHSFAWPP-VSQXVHSFSA-N 1 0 191.318 3.041 10 0 AGAERO CCC[C@](C)(C[NH3+])[C@@H](C)CC(C)C 308207288 572936111 /nfs/dbraw/zinc/93/61/11/572936111.db2.gz ZVBUBSCFGZJDIA-NWDGAFQWSA-N 1 0 185.355 3.434 10 0 AGAERO CC(C)(C)SCCCCCC[NH3+] 238125092 572935120 /nfs/dbraw/zinc/93/51/20/572935120.db2.gz TVSBZCGGORUJPU-UHFFFAOYSA-N 1 0 189.368 3.037 10 0 AGAERO CCC[C@@](C)(C[NH3+])[C@H](C)CC(C)C 308207287 572935327 /nfs/dbraw/zinc/93/53/27/572935327.db2.gz ZVBUBSCFGZJDIA-NEPJUHHUSA-N 1 0 185.355 3.434 10 0 AGAERO C/C=C/CC[NH2+]CC1(C)CCCC1 308206865 572935364 /nfs/dbraw/zinc/93/53/64/572935364.db2.gz UBZBFINJRSNZHB-ONEGZZNKSA-N 1 0 181.323 3.123 10 0 AGAERO CC/C=C\CC[NH2+][C@@H]1CCC[C@@H]1C 308206468 572935431 /nfs/dbraw/zinc/93/54/31/572935431.db2.gz ZDNDBVCTLXKBOY-KBIXYVOKSA-N 1 0 181.323 3.121 10 0 AGAERO C[NH2+][C@H](CC1(C)CCCC1)C(C)C 308206012 572936462 /nfs/dbraw/zinc/93/64/62/572936462.db2.gz SYBDSLHFKYXZHF-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H](C)[C@H](C)[C@H](C)CC(C)C 308206461 572935573 /nfs/dbraw/zinc/93/55/73/572935573.db2.gz ZDMHJJQQBUDPMG-IJLUTSLNSA-N 1 0 185.355 3.303 10 0 AGAERO CC/C=C/CC[NH2+][C@@H]1CCC[C@H]1C 308206467 572935575 /nfs/dbraw/zinc/93/55/75/572935575.db2.gz ZDNDBVCTLXKBOY-GKUNOOHESA-N 1 0 181.323 3.121 10 0 AGAERO CC[NH2+][C@H](C)[C@@H](C)[C@@H](C)CC(C)C 308206463 572935720 /nfs/dbraw/zinc/93/57/20/572935720.db2.gz ZDMHJJQQBUDPMG-SDDRHHMPSA-N 1 0 185.355 3.303 10 0 AGAERO C[NH2+][C@](C)(CCC(C)(C)C)C(F)F 308205510 572935858 /nfs/dbraw/zinc/93/58/58/572935858.db2.gz YPMYXYUUQIFUFL-SNVBAGLBSA-N 1 0 193.281 3.056 10 0 AGAERO CC[NH2+][C@H](C)[C@@H](C)[C@H](C)CC(C)C 308206460 572935998 /nfs/dbraw/zinc/93/59/98/572935998.db2.gz ZDMHJJQQBUDPMG-GRYCIOLGSA-N 1 0 185.355 3.303 10 0 AGAERO C[NH2+][C@@H](CC1(C)CCCC1)C(C)C 308206013 572936077 /nfs/dbraw/zinc/93/60/77/572936077.db2.gz SYBDSLHFKYXZHF-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO CC/C=C\CC[NH2+][C@@H]1CCC[C@H]1C 308206470 572936199 /nfs/dbraw/zinc/93/61/99/572936199.db2.gz ZDNDBVCTLXKBOY-XLMCQVRKSA-N 1 0 181.323 3.121 10 0 AGAERO CC(C)C[NH2+]CCC1(C)CCCC1 308206381 572936407 /nfs/dbraw/zinc/93/64/07/572936407.db2.gz TXHQGSWGRICEFX-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO C[NH2+][C@@](C)(CCC(C)(C)C)C(F)F 308205509 572936573 /nfs/dbraw/zinc/93/65/73/572936573.db2.gz YPMYXYUUQIFUFL-JTQLQIEISA-N 1 0 193.281 3.056 10 0 AGAERO CC/C=C/CC[NH2+][C@@H]1CCC[C@@H]1C 308206469 572936922 /nfs/dbraw/zinc/93/69/22/572936922.db2.gz ZDNDBVCTLXKBOY-RUULKOMLSA-N 1 0 181.323 3.121 10 0 AGAERO C[C@H]([NH3+])[C@@](C)(F)CCCC(C)(C)C 308195417 572938001 /nfs/dbraw/zinc/93/80/01/572938001.db2.gz MERHAIQAADTXBG-ONGXEEELSA-N 1 0 189.318 3.278 10 0 AGAERO C[C@H]([NH3+])[C@](C)(F)CCCC(C)(C)C 308195414 572938446 /nfs/dbraw/zinc/93/84/46/572938446.db2.gz MERHAIQAADTXBG-GXSJLCMTSA-N 1 0 189.318 3.278 10 0 AGAERO C[C@@H]([NH3+])[C@](C)(F)CCCC(C)(C)C 308195416 572938376 /nfs/dbraw/zinc/93/83/76/572938376.db2.gz MERHAIQAADTXBG-MWLCHTKSSA-N 1 0 189.318 3.278 10 0 AGAERO C=C/C=C\CC[C@@H]([NH3+])CCC(C)C 713643059 572938782 /nfs/dbraw/zinc/93/87/82/572938782.db2.gz NDPMAYBGBGNYGQ-FOQNGQEVSA-N 1 0 181.323 3.272 10 0 AGAERO CCCC(=[NH2+])N(CC)C[C@@H](C)CC 86440514 572938930 /nfs/dbraw/zinc/93/89/30/572938930.db2.gz BADNYVJGYNBNJU-JTQLQIEISA-N 1 0 184.327 3.132 10 0 AGAERO C[C@@](F)(CCC[NH3+])CC1CCCC1 308196294 572938999 /nfs/dbraw/zinc/93/89/99/572938999.db2.gz MVDXZXRCJCIKGY-LLVKDONJSA-N 1 0 187.302 3.034 10 0 AGAERO CCCCCC[C@H](F)C(C)(C)[NH2+]C 308195430 572939112 /nfs/dbraw/zinc/93/91/12/572939112.db2.gz MFPNFVKKWMDXRH-JTQLQIEISA-N 1 0 189.318 3.293 10 0 AGAERO C[C@](F)(CCC[NH3+])CC1CCCC1 308196295 572939220 /nfs/dbraw/zinc/93/92/20/572939220.db2.gz MVDXZXRCJCIKGY-NSHDSACASA-N 1 0 187.302 3.034 10 0 AGAERO C=C/C=C/CC[C@H]([NH3+])CCC(C)C 713643064 572939558 /nfs/dbraw/zinc/93/95/58/572939558.db2.gz NDPMAYBGBGNYGQ-FYJFLYSWSA-N 1 0 181.323 3.272 10 0 AGAERO C/C=C/C[NH2+]CCC1(C)CCCC1 308197402 572939586 /nfs/dbraw/zinc/93/95/86/572939586.db2.gz NLDLBPZNMBFSME-ONEGZZNKSA-N 1 0 181.323 3.123 10 0 AGAERO CCCC(=[NH2+])N(CC)C[C@H](C)CC 86440516 572939674 /nfs/dbraw/zinc/93/96/74/572939674.db2.gz BADNYVJGYNBNJU-SNVBAGLBSA-N 1 0 184.327 3.132 10 0 AGAERO CC[C@H](C)CN(CC)C(=[NH2+])C(C)(C)C 86440547 572939817 /nfs/dbraw/zinc/93/98/17/572939817.db2.gz VXTXWGMHXOHYQX-JTQLQIEISA-N 1 0 198.354 3.378 10 0 AGAERO C/C=C\C[NH2+]CCC1(C)CCCC1 308197401 572939892 /nfs/dbraw/zinc/93/98/92/572939892.db2.gz NLDLBPZNMBFSME-ARJAWSKDSA-N 1 0 181.323 3.123 10 0 AGAERO C=C/C=C\CC[C@H]([NH3+])CCC(C)C 713643049 572940018 /nfs/dbraw/zinc/94/00/18/572940018.db2.gz NDPMAYBGBGNYGQ-FJOGCWAESA-N 1 0 181.323 3.272 10 0 AGAERO CC[C@@H](C)CN(CC)C(=[NH2+])C(C)(C)C 86440545 572940022 /nfs/dbraw/zinc/94/00/22/572940022.db2.gz VXTXWGMHXOHYQX-SNVBAGLBSA-N 1 0 198.354 3.378 10 0 AGAERO CC(C)CCC[C@@H](F)CC(C)(C)[NH3+] 308196977 572940056 /nfs/dbraw/zinc/94/00/56/572940056.db2.gz NERGXDLKHCKLIB-SNVBAGLBSA-N 1 0 189.318 3.278 10 0 AGAERO CC(C)CCC[C@H](F)CC(C)(C)[NH3+] 308196976 572940094 /nfs/dbraw/zinc/94/00/94/572940094.db2.gz NERGXDLKHCKLIB-JTQLQIEISA-N 1 0 189.318 3.278 10 0 AGAERO C=C/C=C\CC[C@@H]([NH3+])CC1CCC1 713643769 572940736 /nfs/dbraw/zinc/94/07/36/572940736.db2.gz PSKUPHKDXIMHMJ-VSQXVHSFSA-N 1 0 179.307 3.026 10 0 AGAERO CCCCC[C@@H](C)NC1=[NH+]CCCC1 86454945 572940862 /nfs/dbraw/zinc/94/08/62/572940862.db2.gz LGRXICAXPVZMRO-LLVKDONJSA-N 1 0 196.338 3.127 10 0 AGAERO CC(C)(C)[C@@H]([NH3+])C/C=C/[Si](C)(C)C 238133977 572940871 /nfs/dbraw/zinc/94/08/71/572940871.db2.gz BJOAPARDKRTVNH-PCYYEKQGSA-N 1 0 199.414 3.184 10 0 AGAERO C=Cc1c[nH+]ccc1Nc1ccccc1 238133306 572940921 /nfs/dbraw/zinc/94/09/21/572940921.db2.gz CGUQPRQVUYCUSW-UHFFFAOYSA-N 1 0 196.253 3.468 10 0 AGAERO CC[N@H+](C)[C@H](C)C[C@H](C)CC(C)C 308209959 572941600 /nfs/dbraw/zinc/94/16/00/572941600.db2.gz FYNICINKJBSJOG-VXGBXAGGSA-N 1 0 185.355 3.399 10 0 AGAERO C/C=C/C[N@@H+](CCCCC)C(C)C 308209947 572941631 /nfs/dbraw/zinc/94/16/31/572941631.db2.gz FXTFZYDBOIKNFV-SOFGYWHQSA-N 1 0 183.339 3.463 10 0 AGAERO CCC(CC)N(CC(C)C)C(C)=[NH2+] 86453712 572941665 /nfs/dbraw/zinc/94/16/65/572941665.db2.gz UAHWVXSLBJLWFD-UHFFFAOYSA-N 1 0 184.327 3.130 10 0 AGAERO CCCC[C@@H](C)NC1=[NH+]CCCCC1 86455353 572941723 /nfs/dbraw/zinc/94/17/23/572941723.db2.gz FODURLAJVQJTQQ-LLVKDONJSA-N 1 0 196.338 3.127 10 0 AGAERO CCC[C@@H](C)C[C@H](F)CC(C)(C)[NH3+] 308208980 572941770 /nfs/dbraw/zinc/94/17/70/572941770.db2.gz KAJKLMVZKIAEPB-ZJUUUORDSA-N 1 0 189.318 3.278 10 0 AGAERO CCCC[C@H](C)NC1=[NH+]CCCCC1 86455354 572942056 /nfs/dbraw/zinc/94/20/56/572942056.db2.gz FODURLAJVQJTQQ-NSHDSACASA-N 1 0 196.338 3.127 10 0 AGAERO CCCCC[C@H](C)NC1=[NH+]CCCC1 86454946 572942266 /nfs/dbraw/zinc/94/22/66/572942266.db2.gz LGRXICAXPVZMRO-NSHDSACASA-N 1 0 196.338 3.127 10 0 AGAERO CCC[C@H](CC)NC1=[NH+]CCCCC1 86455336 572942344 /nfs/dbraw/zinc/94/23/44/572942344.db2.gz QRBCBONOQSLGAP-NSHDSACASA-N 1 0 196.338 3.127 10 0 AGAERO CCC[C@@H]([NH2+]C)c1sc(C)cc1C 88047605 572942382 /nfs/dbraw/zinc/94/23/82/572942382.db2.gz GCULVJYUJZHAQE-SNVBAGLBSA-N 1 0 197.347 3.426 10 0 AGAERO CC[NH2+][C@H](CC)c1sc(C)cc1C 88047667 572942468 /nfs/dbraw/zinc/94/24/68/572942468.db2.gz JGUDTTOKENJMPD-SNVBAGLBSA-N 1 0 197.347 3.426 10 0 AGAERO CC[NH2+][C@@H](CC)c1sc(C)cc1C 88047666 572942519 /nfs/dbraw/zinc/94/25/19/572942519.db2.gz JGUDTTOKENJMPD-JTQLQIEISA-N 1 0 197.347 3.426 10 0 AGAERO CC[N@H+](C)[C@@H](C)C[C@H](C)CC(C)C 308209956 572942541 /nfs/dbraw/zinc/94/25/41/572942541.db2.gz FYNICINKJBSJOG-NEPJUHHUSA-N 1 0 185.355 3.399 10 0 AGAERO CCCCC[C@H](C)[NH2+]CCCCF 308209011 572942888 /nfs/dbraw/zinc/94/28/88/572942888.db2.gz KBGMCEHRPRUNDC-NSHDSACASA-N 1 0 189.318 3.295 10 0 AGAERO C=C/C=C/CC[C@@]1(CC)CCC[NH2+]1 713645044 572943055 /nfs/dbraw/zinc/94/30/55/572943055.db2.gz TXIFKQMNRREMKN-FYJFLYSWSA-N 1 0 179.307 3.041 10 0 AGAERO C/C=C\C[N@@H+](CCCCC)C(C)C 308209948 572943173 /nfs/dbraw/zinc/94/31/73/572943173.db2.gz FXTFZYDBOIKNFV-VURMDHGXSA-N 1 0 183.339 3.463 10 0 AGAERO C=C/C=C\CC[C@@]1(CC)CCC[NH2+]1 713645033 572943307 /nfs/dbraw/zinc/94/33/07/572943307.db2.gz TXIFKQMNRREMKN-FJOGCWAESA-N 1 0 179.307 3.041 10 0 AGAERO CCCC[C@H](C)C[C@@H]1CCCC[NH2+]1 308212215 572943431 /nfs/dbraw/zinc/94/34/31/572943431.db2.gz LSWVSXVCTNUBRU-RYUDHWBXSA-N 1 0 183.339 3.345 10 0 AGAERO CC(C)C[C@H]([NH3+])C(C)(C)C(C)(C)C 308211101 572943572 /nfs/dbraw/zinc/94/35/72/572943572.db2.gz GNKVPVMPVWYGKK-JTQLQIEISA-N 1 0 185.355 3.432 10 0 AGAERO CCCC[C@H](C)C[C@H]1CCCC[NH2+]1 308212214 572943634 /nfs/dbraw/zinc/94/36/34/572943634.db2.gz LSWVSXVCTNUBRU-NWDGAFQWSA-N 1 0 183.339 3.345 10 0 AGAERO CC[C@@H](C)C[C@H]([NH2+]C)C1(CC)CC1 308210975 572943891 /nfs/dbraw/zinc/94/38/91/572943891.db2.gz KZQGVJYKFOEVOT-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)CCCC[C@@H](C)[NH2+]C1CC1 238141279 572944019 /nfs/dbraw/zinc/94/40/19/572944019.db2.gz XMLCAROBXVVXFF-LLVKDONJSA-N 1 0 183.339 3.343 10 0 AGAERO Cc1cc(C)c(CCCCC[NH3+])s1 88048482 572944043 /nfs/dbraw/zinc/94/40/43/572944043.db2.gz GYGSWIOZJQFQCC-UHFFFAOYSA-N 1 0 197.347 3.036 10 0 AGAERO CCCC[NH2+][C@H]1CC[C@@H](C(C)C)C1 308211031 572944115 /nfs/dbraw/zinc/94/41/15/572944115.db2.gz GKGTXSVUZLCAOM-NEPJUHHUSA-N 1 0 183.339 3.201 10 0 AGAERO CCCC[NH2+][C@H]1CC[C@H](C(C)C)C1 308211034 572944242 /nfs/dbraw/zinc/94/42/42/572944242.db2.gz GKGTXSVUZLCAOM-RYUDHWBXSA-N 1 0 183.339 3.201 10 0 AGAERO CCCC[C@H]1CCc2[nH]c(C)[nH+]c2C1 76089176 572944406 /nfs/dbraw/zinc/94/44/06/572944406.db2.gz HOVQAKWLNOLDNI-JTQLQIEISA-N 1 0 192.306 3.013 10 0 AGAERO CCCC[C@@H](C)C[C@H]1CCCC[NH2+]1 308212216 572944444 /nfs/dbraw/zinc/94/44/44/572944444.db2.gz LSWVSXVCTNUBRU-VXGBXAGGSA-N 1 0 183.339 3.345 10 0 AGAERO CC[C@H](C)C[C@@H]([NH2+]C)C1(CC)CC1 308210977 572944451 /nfs/dbraw/zinc/94/44/51/572944451.db2.gz KZQGVJYKFOEVOT-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[NH2+][C@H](C)c1sc(C)cc1C 88047759 572944461 /nfs/dbraw/zinc/94/44/61/572944461.db2.gz VKPOXTGQQZGKAL-SNVBAGLBSA-N 1 0 197.347 3.426 10 0 AGAERO C=C/C=C\CC[C@]1(CC)CCC[NH2+]1 713645036 572944506 /nfs/dbraw/zinc/94/45/06/572944506.db2.gz TXIFKQMNRREMKN-FOQNGQEVSA-N 1 0 179.307 3.041 10 0 AGAERO CCC[N@H+](CC)CCc1ccsc1 308212561 572944561 /nfs/dbraw/zinc/94/45/61/572944561.db2.gz HFGNMJMGZGXINY-UHFFFAOYSA-N 1 0 197.347 3.023 10 0 AGAERO CCC[C@H](C)[N@H+](CC)CCC1CC1 308212506 572944630 /nfs/dbraw/zinc/94/46/30/572944630.db2.gz HCLKTZSTLPWVCD-NSHDSACASA-N 1 0 183.339 3.297 10 0 AGAERO CCC(CC)[NH2+]C(C(C)C)C(C)C 308211249 572944721 /nfs/dbraw/zinc/94/47/21/572944721.db2.gz WKSGADZWOJRWQZ-UHFFFAOYSA-N 1 0 185.355 3.445 10 0 AGAERO CCCC[NH2+][C@@H]1CC[C@@H](C(C)C)C1 308211035 572944923 /nfs/dbraw/zinc/94/49/23/572944923.db2.gz GKGTXSVUZLCAOM-VXGBXAGGSA-N 1 0 183.339 3.201 10 0 AGAERO C=C/C=C/CC[C@]1(CC)CCC[NH2+]1 713645031 572944986 /nfs/dbraw/zinc/94/49/86/572944986.db2.gz TXIFKQMNRREMKN-BTDICHCPSA-N 1 0 179.307 3.041 10 0 AGAERO CCC[C@H]([NH2+]C)c1sc(C)cc1C 88047604 572945098 /nfs/dbraw/zinc/94/50/98/572945098.db2.gz GCULVJYUJZHAQE-JTQLQIEISA-N 1 0 197.347 3.426 10 0 AGAERO CC[C@@H](C)C[C@@H]([NH2+]C)C1(CC)CC1 308210974 572945131 /nfs/dbraw/zinc/94/51/31/572945131.db2.gz KZQGVJYKFOEVOT-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H](C)C[C@H]([NH2+]C)C1(CC)CC1 308210976 572945262 /nfs/dbraw/zinc/94/52/62/572945262.db2.gz KZQGVJYKFOEVOT-QWRGUYRKSA-N 1 0 183.339 3.201 10 0 AGAERO CCC[C@@H](C)[N@H+](CC)CCC1CC1 308212504 572945304 /nfs/dbraw/zinc/94/53/04/572945304.db2.gz HCLKTZSTLPWVCD-LLVKDONJSA-N 1 0 183.339 3.297 10 0 AGAERO CCCC[C@@H](C)N(C)C(=[NH2+])CCC 308207992 572945864 /nfs/dbraw/zinc/94/58/64/572945864.db2.gz UVANLYAZAAKLIX-SNVBAGLBSA-N 1 0 184.327 3.274 10 0 AGAERO C/C(=C\CC(C)(C)C)CCCC[NH3+] 308208381 572946088 /nfs/dbraw/zinc/94/60/88/572946088.db2.gz VEBDAJKJOGKIAI-DHZHZOJOSA-N 1 0 183.339 3.498 10 0 AGAERO CCC[NH2+]C[C@@]1(C2CC2)CCC[C@H]1C 317573547 572946699 /nfs/dbraw/zinc/94/66/99/572946699.db2.gz CNKVGKGWQLVJPE-YPMHNXCESA-N 1 0 195.350 3.202 10 0 AGAERO CCC[NH2+]C[C@]1(C2CC2)CCC[C@H]1C 317573541 572947330 /nfs/dbraw/zinc/94/73/30/572947330.db2.gz CNKVGKGWQLVJPE-DGCLKSJQSA-N 1 0 195.350 3.202 10 0 AGAERO CCC[C@H](C)C[C@@H](F)CC(C)(C)[NH3+] 308208979 572947372 /nfs/dbraw/zinc/94/73/72/572947372.db2.gz KAJKLMVZKIAEPB-VHSXEESVSA-N 1 0 189.318 3.278 10 0 AGAERO C1CC[NH2+]CC2(CC1)CCCCC2 139670888 572947612 /nfs/dbraw/zinc/94/76/12/572947612.db2.gz HFYMEWLITFWYPH-UHFFFAOYSA-N 1 0 181.323 3.101 10 0 AGAERO C/C(=C/CC(C)(C)C)CCCC[NH3+] 308208382 572947768 /nfs/dbraw/zinc/94/77/68/572947768.db2.gz VEBDAJKJOGKIAI-FLIBITNWSA-N 1 0 183.339 3.498 10 0 AGAERO C[C@@]1(C2=CCCCC2)CCCCC[NH2+]1 235433728 572948029 /nfs/dbraw/zinc/94/80/29/572948029.db2.gz MAQLEPSKGVDPGQ-ZDUSSCGKSA-N 1 0 193.334 3.409 10 0 AGAERO CCC[C@@H](CC)[NH2+][C@H](C)CC(F)F 308213811 572948107 /nfs/dbraw/zinc/94/81/07/572948107.db2.gz HVMPYSZLYWOBIF-RKDXNWHRSA-N 1 0 193.281 3.198 10 0 AGAERO C[C@H](C[NH3+])[C@H](C)CC1(C)CCCC1 308214075 572949147 /nfs/dbraw/zinc/94/91/47/572949147.db2.gz YKSLWHAMZHJKAK-GHMZBOCLSA-N 1 0 183.339 3.188 10 0 AGAERO CCC[C@H](CC)[NH2+][C@H](C)CC(F)F 308213808 572949398 /nfs/dbraw/zinc/94/93/98/572949398.db2.gz HVMPYSZLYWOBIF-BDAKNGLRSA-N 1 0 193.281 3.198 10 0 AGAERO CCC(CC)CC[NH2+]CC(C)(C)C 308214488 572949544 /nfs/dbraw/zinc/94/95/44/572949544.db2.gz IHMZFTHOFZYUKQ-UHFFFAOYSA-N 1 0 185.355 3.448 10 0 AGAERO CCCCC[C@@H](C)[NH2+]C(C)(C)CF 308215028 572949608 /nfs/dbraw/zinc/94/96/08/572949608.db2.gz ITHDNLYNQNKNPM-SNVBAGLBSA-N 1 0 189.318 3.293 10 0 AGAERO CCCC[NH2+]CC(C)(C)C(C)(C)C 308220781 572949770 /nfs/dbraw/zinc/94/97/70/572949770.db2.gz KZWJWPQPLMELPV-UHFFFAOYSA-N 1 0 185.355 3.448 10 0 AGAERO CCC[C@@H](CC)[NH2+][C@@H](C)CC(F)F 308213809 572949781 /nfs/dbraw/zinc/94/97/81/572949781.db2.gz HVMPYSZLYWOBIF-DTWKUNHWSA-N 1 0 193.281 3.198 10 0 AGAERO CCC[NH2+]C/C=C/c1ccsc1C 308213744 572949921 /nfs/dbraw/zinc/94/99/21/572949921.db2.gz YBAOBTRDXQGRMA-SNAWJCMRSA-N 1 0 195.331 3.069 10 0 AGAERO CC(C)C([NH2+]CC(C)(C)C)C(C)C 308214024 572949875 /nfs/dbraw/zinc/94/98/75/572949875.db2.gz YGMMFHNZQHEBRQ-UHFFFAOYSA-N 1 0 185.355 3.303 10 0 AGAERO CC[NH2+][C@@H](CC(C)(C)C1CC1)C1CC1 405714000 572950098 /nfs/dbraw/zinc/95/00/98/572950098.db2.gz LNDYTNXBLVBHCJ-LBPRGKRZSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)CCC[C@@H](C)[NH+]1CCCC1 238146101 572950309 /nfs/dbraw/zinc/95/03/09/572950309.db2.gz NHUZWQYZQXCSQF-GFCCVEGCSA-N 1 0 183.339 3.297 10 0 AGAERO CC(C)=CCC[NH2+]CCC=C(C)C 238146061 572951031 /nfs/dbraw/zinc/95/10/31/572951031.db2.gz VVMBEOWUDQKMRA-UHFFFAOYSA-N 1 0 181.323 3.289 10 0 AGAERO CC(C)(C)CCC[C@@H]1CCC[NH2+]C1 238147361 572954898 /nfs/dbraw/zinc/95/48/98/572954898.db2.gz OMGJHKZVGXFLFW-LLVKDONJSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@@H]1CCC[C@H](/C=C/CC[NH3+])C1 86570986 572955390 /nfs/dbraw/zinc/95/53/90/572955390.db2.gz PHMLVRTWLAMOSD-ZBWCZXCSSA-N 1 0 181.323 3.108 10 0 AGAERO CCCC[C@H](CC)C/C=C/CC[NH3+] 86570868 572954992 /nfs/dbraw/zinc/95/49/92/572954992.db2.gz JWZIVWAICKFROO-SYTKJHMZSA-N 1 0 183.339 3.498 10 0 AGAERO CC[C@@H]1CCCC[C@H]1/C=C/CC[NH2+]C 86571160 572955050 /nfs/dbraw/zinc/95/50/50/572955050.db2.gz HYEFYJGTMWLBRY-QFPXWBCESA-N 1 0 195.350 3.369 10 0 AGAERO C[NH2+]CC/C=C/C1C[C@H](C)C[C@@H](C)C1 86571152 572955065 /nfs/dbraw/zinc/95/50/65/572955065.db2.gz KPWAYTJWPZSDKU-WBIIUDBISA-N 1 0 195.350 3.224 10 0 AGAERO CC(C)CCC[C@H](C)[NH+]1CCCC1 238149346 572955394 /nfs/dbraw/zinc/95/53/94/572955394.db2.gz NHUZWQYZQXCSQF-LBPRGKRZSA-N 1 0 183.339 3.297 10 0 AGAERO CC[NH2+]CC/C=C/c1cccc(C)c1 86571239 572955227 /nfs/dbraw/zinc/95/52/27/572955227.db2.gz CTXNUWIRJWLKKX-XBXARRHUSA-N 1 0 189.302 3.008 10 0 AGAERO C[NH2+]CC/C=C/C1C[C@@H](C)C[C@@H](C)C1 86571150 572955287 /nfs/dbraw/zinc/95/52/87/572955287.db2.gz KPWAYTJWPZSDKU-JKEWHDHYSA-N 1 0 195.350 3.224 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1/C=C/CC[NH2+]C 86571158 572955405 /nfs/dbraw/zinc/95/54/05/572955405.db2.gz HYEFYJGTMWLBRY-SFGZWBMOSA-N 1 0 195.350 3.369 10 0 AGAERO CC[NH2+]CC/C=C/CC1CCCC1 86571284 572955431 /nfs/dbraw/zinc/95/54/31/572955431.db2.gz XZTKYAAFUWQLRF-ONEGZZNKSA-N 1 0 181.323 3.123 10 0 AGAERO CC[C@@H]1CCC[C@@H](/C=C/CC[NH3+])C1 86570988 572955436 /nfs/dbraw/zinc/95/54/36/572955436.db2.gz PHMLVRTWLAMOSD-JKNNBXRXSA-N 1 0 181.323 3.108 10 0 AGAERO CC[NH2+]CC/C=C/c1ccc(C)s1 86571246 572955702 /nfs/dbraw/zinc/95/57/02/572955702.db2.gz OVJQYOQHWPRESY-GQCTYLIASA-N 1 0 195.331 3.069 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1/C(C)=C/CC[NH3+] 86570771 572955736 /nfs/dbraw/zinc/95/57/36/572955736.db2.gz IACWJKLWRICBIT-PGJRDNSLSA-N 1 0 195.350 3.498 10 0 AGAERO CCCCC/C=C/CC[NH2+]CC 86571265 572955908 /nfs/dbraw/zinc/95/59/08/572955908.db2.gz BAKIVJNBNHTVRZ-CMDGGOBGSA-N 1 0 169.312 3.123 10 0 AGAERO Cc1ccc([C@H](C[C@H](C)[NH3+])C(C)C)o1 238154672 572955912 /nfs/dbraw/zinc/95/59/12/572955912.db2.gz ZNMRONFQZUTNSB-GXSJLCMTSA-N 1 0 195.306 3.065 10 0 AGAERO CCCC[C@@H](CC)C/C=C/CC[NH3+] 86570867 572955916 /nfs/dbraw/zinc/95/59/16/572955916.db2.gz JWZIVWAICKFROO-NNNHXZLVSA-N 1 0 183.339 3.498 10 0 AGAERO CCC[C@H](C)C/C(C)=C/CC[NH3+] 86570790 572955921 /nfs/dbraw/zinc/95/59/21/572955921.db2.gz CZDRZHZDTNECMP-VUBLIPMDSA-N 1 0 169.312 3.108 10 0 AGAERO C[NH2+]CC/C=C/[C@@H]1CC[C@H](C)[C@@H](C)C1 86571149 572956042 /nfs/dbraw/zinc/95/60/42/572956042.db2.gz GSPSWVNHTLPMMT-OYRJTWRESA-N 1 0 195.350 3.224 10 0 AGAERO C/C(=C\CC[NH3+])CCC(C)(C)C 86570673 572956043 /nfs/dbraw/zinc/95/60/43/572956043.db2.gz IUXFGLAIDCGBLB-UXBLZVDNSA-N 1 0 169.312 3.108 10 0 AGAERO CCC1CCC(/C=C/CC[NH3+])CC1 86570859 572956046 /nfs/dbraw/zinc/95/60/46/572956046.db2.gz DZVVOKCUGITQRC-HWKANZROSA-N 1 0 181.323 3.108 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1/C=C/CC[NH3+] 86570951 572956070 /nfs/dbraw/zinc/95/60/70/572956070.db2.gz QKJFXJNGQURUHD-YRCSQKNFSA-N 1 0 181.323 3.108 10 0 AGAERO Cc1ccc([C@H](C[C@@H](C)[NH3+])C(C)C)o1 238154096 572956121 /nfs/dbraw/zinc/95/61/21/572956121.db2.gz ZNMRONFQZUTNSB-MWLCHTKSSA-N 1 0 195.306 3.065 10 0 AGAERO CCC1CCC(/C(C)=C/CC[NH3+])CC1 86570682 572956144 /nfs/dbraw/zinc/95/61/44/572956144.db2.gz BVWBAGMJCQLNMB-VZUCSPMQSA-N 1 0 195.350 3.498 10 0 AGAERO C/C(=C\CC[NH3+])CC1CCCCC1 86570817 572956262 /nfs/dbraw/zinc/95/62/62/572956262.db2.gz UYRGCUABLWJWLJ-IZZDOVSWSA-N 1 0 181.323 3.252 10 0 AGAERO CC[C@@H]1CCCC[C@H]1/C=C/CC[NH3+] 86570953 572956274 /nfs/dbraw/zinc/95/62/74/572956274.db2.gz QKJFXJNGQURUHD-UEUGTDCTSA-N 1 0 181.323 3.108 10 0 AGAERO CC[C@@H]1CCC[C@H](/C=C/CC[NH2+]C)C1 86571197 572956278 /nfs/dbraw/zinc/95/62/78/572956278.db2.gz KWRQLTRTCBBJFP-GPEUJJIWSA-N 1 0 195.350 3.369 10 0 AGAERO CCC1CCC(/C=C/CC[NH2+]C)CC1 86571049 572956303 /nfs/dbraw/zinc/95/63/03/572956303.db2.gz NVDAJAMSENQRJM-GQCTYLIASA-N 1 0 195.350 3.369 10 0 AGAERO CC[C@@H]1CCC[C@H](/C(C)=C/CC[NH3+])C1 86570804 572956311 /nfs/dbraw/zinc/95/63/11/572956311.db2.gz DYXZYSVHULEQHH-YCBFNFSOSA-N 1 0 195.350 3.498 10 0 AGAERO CCC[C@@H](C)C/C(C)=C/CC[NH3+] 86570789 572956367 /nfs/dbraw/zinc/95/63/67/572956367.db2.gz CZDRZHZDTNECMP-UEUZTHOGSA-N 1 0 169.312 3.108 10 0 AGAERO C[NH2+]CC/C=C/CC1CCCCC1 86571210 572956392 /nfs/dbraw/zinc/95/63/92/572956392.db2.gz HEZUAWBNCQOGRB-ZZXKWVIFSA-N 1 0 181.323 3.123 10 0 AGAERO CC[NH2+]CC/C=C/C1CCCCC1 86571269 572956421 /nfs/dbraw/zinc/95/64/21/572956421.db2.gz QSYTYMJBVMUNMY-UXBLZVDNSA-N 1 0 181.323 3.123 10 0 AGAERO CC[C@@H]1CCC[C@@H](/C(C)=C/CC[NH3+])C1 86570806 572956506 /nfs/dbraw/zinc/95/65/06/572956506.db2.gz DYXZYSVHULEQHH-WXYBXBMJSA-N 1 0 195.350 3.498 10 0 AGAERO CC[C@@H]1CCC[C@@H](/C=C/CC[NH2+]C)C1 86571199 572956573 /nfs/dbraw/zinc/95/65/73/572956573.db2.gz KWRQLTRTCBBJFP-SXQWRXASSA-N 1 0 195.350 3.369 10 0 AGAERO CC[C@@H]1CCCC[C@H]1/C(C)=C/CC[NH3+] 86570773 572956589 /nfs/dbraw/zinc/95/65/89/572956589.db2.gz IACWJKLWRICBIT-OXJBHRBVSA-N 1 0 195.350 3.498 10 0 AGAERO C[NH2+]CC/C=C(/C)[C@@H]1CCC[C@H](C)C1 86572437 572956760 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/nfs/dbraw/zinc/01/82/72/573018272.db2.gz QFSWCWANEKBXTI-RYUDHWBXSA-N 1 0 191.318 3.002 10 0 AGAERO CC1CCC([C@H](C)[C@@H](C)C[NH3+])CC1 87938486 573018284 /nfs/dbraw/zinc/01/82/84/573018284.db2.gz XKBGHPAGCJABOB-LVFLEHKBSA-N 1 0 183.339 3.044 10 0 AGAERO CC(C)([NH3+])c1cc2ccccc2s1 113645123 573018341 /nfs/dbraw/zinc/01/83/41/573018341.db2.gz YPHVNPVDZFLGHB-UHFFFAOYSA-N 1 0 191.299 3.095 10 0 AGAERO CC1(C)CC[C@H]([NH3+])[C@H](C(C)(C)C)C1 87936762 573018388 /nfs/dbraw/zinc/01/83/88/573018388.db2.gz MQVSNQCDJJFVFL-ZJUUUORDSA-N 1 0 183.339 3.186 10 0 AGAERO Cc1ccc(C)c([C@H](C)[C@@H](C)C[NH3+])c1 87938973 573018408 /nfs/dbraw/zinc/01/84/08/573018408.db2.gz XCNVELWWDSJLII-NWDGAFQWSA-N 1 0 191.318 3.002 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](C2CCCC2)C1 87936148 573018491 /nfs/dbraw/zinc/01/84/91/573018491.db2.gz KFBKZWVVFPCGMK-KGYLQXTDSA-N 1 0 195.350 3.330 10 0 AGAERO CC1CCC(C(C)(C)CC[NH3+])CC1 87937340 573018512 /nfs/dbraw/zinc/01/85/12/573018512.db2.gz HEXQLQWMPWZSRL-UHFFFAOYSA-N 1 0 183.339 3.188 10 0 AGAERO CC1(C)CC[C@H]([NH3+])[C@@H](C(C)(C)C)C1 87936764 573018549 /nfs/dbraw/zinc/01/85/49/573018549.db2.gz MQVSNQCDJJFVFL-UWVGGRQHSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H](C)[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] 87936198 573018580 /nfs/dbraw/zinc/01/85/80/573018580.db2.gz DRVGTKHTFNKUKE-USZNOCQGSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@H](C[NH3+])[C@@H](C)c1ccccc1Cl 87937639 573018599 /nfs/dbraw/zinc/01/85/99/573018599.db2.gz ZCNGRVSNTIXPCM-RKDXNWHRSA-N 1 0 197.709 3.038 10 0 AGAERO CC1CCC([C@@H](C)[C@H](C)C[NH3+])CC1 87938489 573018674 /nfs/dbraw/zinc/01/86/74/573018674.db2.gz XKBGHPAGCJABOB-UPOSSJBDSA-N 1 0 183.339 3.044 10 0 AGAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](C(C)(C)C)C1 87936222 573018778 /nfs/dbraw/zinc/01/87/78/573018778.db2.gz BODWJYZGGXGLMT-MXWKQRLJSA-N 1 0 183.339 3.186 10 0 AGAERO Cc1cccc([C@@H](C)[C@H](C)C[NH3+])c1C 87937899 573018812 /nfs/dbraw/zinc/01/88/12/573018812.db2.gz DELPYHOVEQSLSC-PWSUYJOCSA-N 1 0 191.318 3.002 10 0 AGAERO C[C@H](C[NH3+])[C@H](C)c1ccccc1Cl 87937643 573018819 /nfs/dbraw/zinc/01/88/19/573018819.db2.gz ZCNGRVSNTIXPCM-BDAKNGLRSA-N 1 0 197.709 3.038 10 0 AGAERO CC1CCC([C@H](C)[C@H](C)C[NH3+])CC1 87938491 573018853 /nfs/dbraw/zinc/01/88/53/573018853.db2.gz XKBGHPAGCJABOB-BFUDSRACSA-N 1 0 183.339 3.044 10 0 AGAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](C2CCCC2)C1 87936146 573018994 /nfs/dbraw/zinc/01/89/94/573018994.db2.gz KFBKZWVVFPCGMK-WXHSDQCUSA-N 1 0 195.350 3.330 10 0 AGAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc[nH]1 308483319 573019634 /nfs/dbraw/zinc/01/96/34/573019634.db2.gz NTUYMKFRQWBVSG-PWSUYJOCSA-N 1 0 194.322 3.102 10 0 AGAERO CC1(C)CC[C@@H]([NH3+])[C@@H](C(C)(C)C)C1 87936765 573019239 /nfs/dbraw/zinc/01/92/39/573019239.db2.gz MQVSNQCDJJFVFL-VHSXEESVSA-N 1 0 183.339 3.186 10 0 AGAERO Cc1cccc([C@H](C)[C@@H](C)C[NH3+])c1C 87937897 573019285 /nfs/dbraw/zinc/01/92/85/573019285.db2.gz DELPYHOVEQSLSC-CMPLNLGQSA-N 1 0 191.318 3.002 10 0 AGAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc[nH]1 308483320 573019433 /nfs/dbraw/zinc/01/94/33/573019433.db2.gz NTUYMKFRQWBVSG-ZYHUDNBSSA-N 1 0 194.322 3.102 10 0 AGAERO CCCC[C@H]1CC(C)(C)CC[C@H]1[NH3+] 87936641 573019457 /nfs/dbraw/zinc/01/94/57/573019457.db2.gz ITCGOWOIRFKCNM-WDEREUQCSA-N 1 0 183.339 3.330 10 0 AGAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](C2CC2)C1 87936586 573019491 /nfs/dbraw/zinc/01/94/91/573019491.db2.gz VSBULANJKSZRKP-WOPDTQHZSA-N 1 0 195.350 3.186 10 0 AGAERO CC(=[NH2+])N(CC(C)C)c1ccccc1 308483045 573019524 /nfs/dbraw/zinc/01/95/24/573019524.db2.gz HTFDORBYEOYXDP-UHFFFAOYSA-N 1 0 190.290 3.146 10 0 AGAERO CC(C)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] 87936571 573019654 /nfs/dbraw/zinc/01/96/54/573019654.db2.gz VFVKKYRXTVDCKB-UTUOFQBUSA-N 1 0 197.366 3.432 10 0 AGAERO C[NH2+][C@H](C[C@@H]1CCC[C@H](C)C1)C1CC1 308485005 573019836 /nfs/dbraw/zinc/01/98/36/573019836.db2.gz MZIUDKTUDFGNRW-DMDPSCGWSA-N 1 0 195.350 3.201 10 0 AGAERO CCC(CC)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 87936046 573019877 /nfs/dbraw/zinc/01/98/77/573019877.db2.gz VGNOWOKYJCFFDD-USWWRNFRSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@@H]1CCC[C@@H](C(C)(C)CC[NH3+])C1 87937496 573019890 /nfs/dbraw/zinc/01/98/90/573019890.db2.gz XFXSYQVDLWXTHT-GHMZBOCLSA-N 1 0 183.339 3.188 10 0 AGAERO C[C@H](C[NH3+])[C@@H](C)c1cccc(Cl)c1 87938874 573020337 /nfs/dbraw/zinc/02/03/37/573020337.db2.gz XMLNHUTZXAVEIA-RKDXNWHRSA-N 1 0 197.709 3.038 10 0 AGAERO C[C@@H](C[NH3+])[C@@H](C)c1cccc(Cl)c1 87938873 573020388 /nfs/dbraw/zinc/02/03/88/573020388.db2.gz XMLNHUTZXAVEIA-DTWKUNHWSA-N 1 0 197.709 3.038 10 0 AGAERO Cc1ccc([C@H](C)[C@H](C)C[NH3+])c(C)c1 87939144 573020416 /nfs/dbraw/zinc/02/04/16/573020416.db2.gz APDYKZBMZAWANY-VXGBXAGGSA-N 1 0 191.318 3.002 10 0 AGAERO C[C@H]1CC(C(C)(C)CC[NH3+])C[C@H](C)C1 87937489 573020424 /nfs/dbraw/zinc/02/04/24/573020424.db2.gz DLHXLTLCHUAXLY-GHMZBOCLSA-N 1 0 197.366 3.434 10 0 AGAERO C[C@@H]1CCC[C@H]([C@@H](C)[C@@H](C)C[NH3+])C1 87939063 573020492 /nfs/dbraw/zinc/02/04/92/573020492.db2.gz CVDFUOLVVKNDLR-RHYQMDGZSA-N 1 0 183.339 3.044 10 0 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308483318 573021163 /nfs/dbraw/zinc/02/11/63/573021163.db2.gz NTUYMKFRQWBVSG-JQWIXIFHSA-N 1 0 194.322 3.102 10 0 AGAERO CC[C@@H]1CCC[C@@H]1[N@H+](C)CC(C)C 308226691 573021230 /nfs/dbraw/zinc/02/12/30/573021230.db2.gz NDOXTJSHSBGBMM-NEPJUHHUSA-N 1 0 183.339 3.153 10 0 AGAERO [NH3+]C[C@@H]1CCCC[C@H]1CC1CCCC1 87940835 573021303 /nfs/dbraw/zinc/02/13/03/573021303.db2.gz BBHQTBRBCJPJQJ-STQMWFEESA-N 1 0 195.350 3.332 10 0 AGAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc[nH]1 308483317 573021488 /nfs/dbraw/zinc/02/14/88/573021488.db2.gz NTUYMKFRQWBVSG-CMPLNLGQSA-N 1 0 194.322 3.102 10 0 AGAERO C[NH2+]CC1(C[C@H]2CCC[C@@H](C)C2)CC1 308483228 573021504 /nfs/dbraw/zinc/02/15/04/573021504.db2.gz MLDYQGZWBDJMHF-NEPJUHHUSA-N 1 0 195.350 3.202 10 0 AGAERO CC[N@H+](C)[C@H](C)CCCC(F)(F)F 308225422 573021547 /nfs/dbraw/zinc/02/15/47/573021547.db2.gz MSOIHDYJEVCNHM-MRVPVSSYSA-N 1 0 197.244 3.059 10 0 AGAERO CC[C@@H]1CCC[C@H]([C@@H]2CC[C@@H]2C[NH3+])C1 87942605 573021669 /nfs/dbraw/zinc/02/16/69/573021669.db2.gz CAJOBHNEQJRHST-XQHKEYJVSA-N 1 0 195.350 3.188 10 0 AGAERO C[NH2+][C@@H]1CC[C@@](C)([C@H](C)CC(C)C)C1 308485197 573021646 /nfs/dbraw/zinc/02/16/46/573021646.db2.gz OONLYUWMRWUWKL-JHJVBQTASA-N 1 0 197.366 3.447 10 0 AGAERO CCCC[N@H+](C)[C@H]1CCC[C@H]1CC 308225479 573021655 /nfs/dbraw/zinc/02/16/55/573021655.db2.gz MUWZPQMVRYOHRN-NEPJUHHUSA-N 1 0 183.339 3.297 10 0 AGAERO CC[N@H+](C)[C@@H](C)CCCC(F)(F)F 308225423 573021887 /nfs/dbraw/zinc/02/18/87/573021887.db2.gz MSOIHDYJEVCNHM-QMMMGPOBSA-N 1 0 197.244 3.059 10 0 AGAERO CCCC[N@H+](C)[C@H]1CCC[C@@H]1CC 308225482 573021940 /nfs/dbraw/zinc/02/19/40/573021940.db2.gz MUWZPQMVRYOHRN-RYUDHWBXSA-N 1 0 183.339 3.297 10 0 AGAERO CC1CCC([C@H]2CCC[C@H]2C[NH3+])CC1 87940088 573021981 /nfs/dbraw/zinc/02/19/81/573021981.db2.gz PGWKNILSJHZNEU-IFWUJCSASA-N 1 0 195.350 3.188 10 0 AGAERO CCC[N@H+](CC)[C@@H]1CC[C@@H](CC)C1 308226757 573021982 /nfs/dbraw/zinc/02/19/82/573021982.db2.gz NFTHYLOVXMDTMW-VXGBXAGGSA-N 1 0 183.339 3.297 10 0 AGAERO [NH3+]C[C@H]1CCCC[C@H]1CC1CCCC1 87940832 573022067 /nfs/dbraw/zinc/02/20/67/573022067.db2.gz BBHQTBRBCJPJQJ-QWHCGFSZSA-N 1 0 195.350 3.332 10 0 AGAERO C[NH2+][C@H](C[C@H]1CCC[C@H](C)C1)C1CC1 308485006 573022093 /nfs/dbraw/zinc/02/20/93/573022093.db2.gz MZIUDKTUDFGNRW-GMXVVIOVSA-N 1 0 195.350 3.201 10 0 AGAERO CCC1CCC([C@H]2CC[C@H]2C[NH3+])CC1 87942633 573022126 /nfs/dbraw/zinc/02/21/26/573022126.db2.gz DVSOGOUFWYWVOI-IFWUJCSASA-N 1 0 195.350 3.188 10 0 AGAERO CCC1([C@@H](CC2CCCC2)[NH2+]C)CC1 308483046 573022138 /nfs/dbraw/zinc/02/21/38/573022138.db2.gz HTIYDMTWLVDOQU-GFCCVEGCSA-N 1 0 195.350 3.345 10 0 AGAERO CCCC[N@H+](C)[C@@H](C)c1ccoc1 308483161 573022142 /nfs/dbraw/zinc/02/21/42/573022142.db2.gz OCPBTVABKDANHE-JTQLQIEISA-N 1 0 181.279 3.073 10 0 AGAERO CCCCCC[C@H]([NH3+])CC1CCC1 128485073 573022247 /nfs/dbraw/zinc/02/22/47/573022247.db2.gz VGUXRZXOODYECF-LBPRGKRZSA-N 1 0 183.339 3.474 10 0 AGAERO C[NH2+][C@H](C[C@@H]1CCC[C@@H](C)C1)C1CC1 308485007 573022194 /nfs/dbraw/zinc/02/21/94/573022194.db2.gz MZIUDKTUDFGNRW-NQBHXWOUSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+][C@@H]1CC[C@](C)([C@@H](C)CC(C)C)C1 308485199 573022229 /nfs/dbraw/zinc/02/22/29/573022229.db2.gz OONLYUWMRWUWKL-XQQFMLRXSA-N 1 0 197.366 3.447 10 0 AGAERO C[C@@H]1CCC[C@H]([C@@H]2CCC[C@@H]2C[NH3+])C1 87940616 573022377 /nfs/dbraw/zinc/02/23/77/573022377.db2.gz BGVMBUYKKDDLGX-XQHKEYJVSA-N 1 0 195.350 3.188 10 0 AGAERO CC[NH2+][C@H](c1ccc[nH]1)C(C)(C)CC 308485070 573022431 /nfs/dbraw/zinc/02/24/31/573022431.db2.gz OKYPJPNSRMTJIR-LLVKDONJSA-N 1 0 194.322 3.102 10 0 AGAERO CC[C@H]1CCC[C@H]1[N@H+](C)CC(C)C 308226693 573022472 /nfs/dbraw/zinc/02/24/72/573022472.db2.gz NDOXTJSHSBGBMM-NWDGAFQWSA-N 1 0 183.339 3.153 10 0 AGAERO CCC[N@H+](CC)[C@H]1CC[C@H](CC)C1 308226755 573022603 /nfs/dbraw/zinc/02/26/03/573022603.db2.gz NFTHYLOVXMDTMW-RYUDHWBXSA-N 1 0 183.339 3.297 10 0 AGAERO [NH3+]C[C@@H]1CCC[C@@H]1CC1CCCCC1 87940534 573022651 /nfs/dbraw/zinc/02/26/51/573022651.db2.gz ZZMJBFZYIUOIMZ-OLZOCXBDSA-N 1 0 195.350 3.332 10 0 AGAERO [NH3+]C[C@H]1CCCC[C@@H]1CC1CCCC1 87940833 573022745 /nfs/dbraw/zinc/02/27/45/573022745.db2.gz BBHQTBRBCJPJQJ-CHWSQXEVSA-N 1 0 195.350 3.332 10 0 AGAERO [NH3+]C[C@H]1CCC[C@H]1CC1CCCCC1 87940529 573022709 /nfs/dbraw/zinc/02/27/09/573022709.db2.gz ZZMJBFZYIUOIMZ-QWHCGFSZSA-N 1 0 195.350 3.332 10 0 AGAERO C[NH2+]CC1(C[C@@H]2CCC[C@H](C)C2)CC1 308483229 573022976 /nfs/dbraw/zinc/02/29/76/573022976.db2.gz MLDYQGZWBDJMHF-NWDGAFQWSA-N 1 0 195.350 3.202 10 0 AGAERO CC1CCC([C@H]2CCC[C@@H]2C[NH3+])CC1 87940085 573023809 /nfs/dbraw/zinc/02/38/09/573023809.db2.gz PGWKNILSJHZNEU-FIYWTHMPSA-N 1 0 195.350 3.188 10 0 AGAERO C[C@H]1CCCc2[nH]c3cc[nH+]cc3c21 113688841 573023881 /nfs/dbraw/zinc/02/38/81/573023881.db2.gz RNCILUBONOVIFN-QMMMGPOBSA-N 1 0 186.258 3.003 10 0 AGAERO CCC1CCC([C@@H]2CC[C@@H]2C[NH3+])CC1 87942628 573023955 /nfs/dbraw/zinc/02/39/55/573023955.db2.gz DVSOGOUFWYWVOI-TUUUFIMRSA-N 1 0 195.350 3.188 10 0 AGAERO [NH3+]C[C@H]1CCC[C@@H]1CC1CCCCC1 87940530 573024056 /nfs/dbraw/zinc/02/40/56/573024056.db2.gz ZZMJBFZYIUOIMZ-CHWSQXEVSA-N 1 0 195.350 3.332 10 0 AGAERO CC1CCC([C@@H]2CCC[C@H]2C[NH3+])CC1 87940087 573024244 /nfs/dbraw/zinc/02/42/44/573024244.db2.gz PGWKNILSJHZNEU-TYUFSLCMSA-N 1 0 195.350 3.188 10 0 AGAERO [NH3+]C[C@@H]1CCC[C@H]1CC1CCCCC1 87940532 573024388 /nfs/dbraw/zinc/02/43/88/573024388.db2.gz ZZMJBFZYIUOIMZ-STQMWFEESA-N 1 0 195.350 3.332 10 0 AGAERO Cc1occc1[C@H]([NH3+])[C@H](C)CC(C)C 308477063 573025452 /nfs/dbraw/zinc/02/54/52/573025452.db2.gz LLFOEMLPUZEJKV-BXKDBHETSA-N 1 0 195.306 3.270 10 0 AGAERO Cc1occc1[C@@H]([NH3+])[C@H](C)CC(C)C 308477071 573025506 /nfs/dbraw/zinc/02/55/06/573025506.db2.gz LLFOEMLPUZEJKV-SKDRFNHKSA-N 1 0 195.306 3.270 10 0 AGAERO CCC(CC)CC[NH2+]C[C@H]1C[C@@H]1C 308227992 573025778 /nfs/dbraw/zinc/02/57/78/573025778.db2.gz NRIIGTOEGYLNCX-CMPLNLGQSA-N 1 0 183.339 3.058 10 0 AGAERO Cc1occc1[C@@H]([NH3+])[C@@H](C)CC(C)C 308477065 573026011 /nfs/dbraw/zinc/02/60/11/573026011.db2.gz LLFOEMLPUZEJKV-CABZTGNLSA-N 1 0 195.306 3.270 10 0 AGAERO CC[NH2+]CCCCC1(CC)CCC1 686130486 573026714 /nfs/dbraw/zinc/02/67/14/573026714.db2.gz UYHNAFBZHYFZNA-UHFFFAOYSA-N 1 0 183.339 3.347 10 0 AGAERO CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C[NH3+] 87946026 573026386 /nfs/dbraw/zinc/02/63/86/573026386.db2.gz CFMNEJLUKSFWAI-GRYCIOLGSA-N 1 0 183.339 3.044 10 0 AGAERO CCCC(=[NH2+])N1C[C@H](CC)CC[C@@H]1C 308477549 573026639 /nfs/dbraw/zinc/02/66/39/573026639.db2.gz LOXRVHAFEXSJMP-WDEREUQCSA-N 1 0 196.338 3.274 10 0 AGAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](C(C)C)C1 87945149 573026653 /nfs/dbraw/zinc/02/66/53/573026653.db2.gz FGYLYSWBEISFLS-UTUOFQBUSA-N 1 0 183.339 3.044 10 0 AGAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](C(C)C)C1 87945152 573026669 /nfs/dbraw/zinc/02/66/69/573026669.db2.gz FGYLYSWBEISFLS-WOPDTQHZSA-N 1 0 183.339 3.044 10 0 AGAERO CCCC[C@@H]1CCCCC[C@@H]1C[NH3+] 87943999 573026769 /nfs/dbraw/zinc/02/67/69/573026769.db2.gz PPLCMPCOBBSDAM-VXGBXAGGSA-N 1 0 183.339 3.332 10 0 AGAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](C(C)(C)C)C1 87945493 573026787 /nfs/dbraw/zinc/02/67/87/573026787.db2.gz FJTIAIWFTLBFDH-GRYCIOLGSA-N 1 0 197.366 3.434 10 0 AGAERO CC(C)(C)[C@@H]1CCCCC[C@@H]1C[NH3+] 87944242 573026828 /nfs/dbraw/zinc/02/68/28/573026828.db2.gz WOWFVZBBFHFZHY-GHMZBOCLSA-N 1 0 183.339 3.188 10 0 AGAERO CCC[NH2+]CC[C@@H](C)c1ccsc1 87950078 573026846 /nfs/dbraw/zinc/02/68/46/573026846.db2.gz GJMKNMSYTCOWSP-SNVBAGLBSA-N 1 0 197.347 3.241 10 0 AGAERO CC(C)C[NH2+]CC[C@@H](C)C1CCCC1 87950962 573026877 /nfs/dbraw/zinc/02/68/77/573026877.db2.gz CXHJXTAZOALREB-GFCCVEGCSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)C[C@@H]1CC(C)(C)CC[C@H]1C[NH3+] 87946430 573026913 /nfs/dbraw/zinc/02/69/13/573026913.db2.gz YWFUHTIANHMHKV-NWDGAFQWSA-N 1 0 197.366 3.434 10 0 AGAERO CC(C)C[C@H]1CCCCC[C@H]1C[NH3+] 87943888 573026928 /nfs/dbraw/zinc/02/69/28/573026928.db2.gz HCVCMBGCJHPEFU-NEPJUHHUSA-N 1 0 183.339 3.188 10 0 AGAERO CC(C)C[C@@H]1CCCCC[C@H]1C[NH3+] 87943885 573026960 /nfs/dbraw/zinc/02/69/60/573026960.db2.gz HCVCMBGCJHPEFU-RYUDHWBXSA-N 1 0 183.339 3.188 10 0 AGAERO CCC[C@H]1CC(C)(C)CC[C@@H]1C[NH3+] 87946509 573027021 /nfs/dbraw/zinc/02/70/21/573027021.db2.gz HALPYSGIKQJAIX-WDEREUQCSA-N 1 0 183.339 3.188 10 0 AGAERO CCC[C@@H]1C[C@H](CC)CC[C@@H]1C[NH3+] 87945309 573027050 /nfs/dbraw/zinc/02/70/50/573027050.db2.gz HWEAVYPYJUZKES-IJLUTSLNSA-N 1 0 183.339 3.188 10 0 AGAERO CC1(C)CC[C@@H](C[NH3+])[C@H](C(C)(C)C)C1 87946722 573027059 /nfs/dbraw/zinc/02/70/59/573027059.db2.gz TVNPFGQJLVYISL-WDEREUQCSA-N 1 0 197.366 3.434 10 0 AGAERO C[C@H]1CC[C@H](C[NH3+])[C@H](C(C)(C)C)C1 87944953 573027107 /nfs/dbraw/zinc/02/71/07/573027107.db2.gz VUOAMEZSRMNJHE-HBNTYKKESA-N 1 0 183.339 3.044 10 0 AGAERO CC(C)C[C@@H]1CCCCC[C@@H]1C[NH3+] 87943882 573028049 /nfs/dbraw/zinc/02/80/49/573028049.db2.gz HCVCMBGCJHPEFU-NWDGAFQWSA-N 1 0 183.339 3.188 10 0 AGAERO CC(C)(C)[C@H]1CCCCC[C@H]1C[NH3+] 87944248 573027667 /nfs/dbraw/zinc/02/76/67/573027667.db2.gz WOWFVZBBFHFZHY-QWRGUYRKSA-N 1 0 183.339 3.188 10 0 AGAERO C/C=C\C[N@H+]1CCC(CC)(CC)C1 308228599 573027670 /nfs/dbraw/zinc/02/76/70/573027670.db2.gz NWCAPQDPMQYYTJ-DAXSKMNVSA-N 1 0 181.323 3.075 10 0 AGAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](C(C)(C)C)C1 87944955 573027681 /nfs/dbraw/zinc/02/76/81/573027681.db2.gz VUOAMEZSRMNJHE-OUAUKWLOSA-N 1 0 183.339 3.044 10 0 AGAERO CC[NH2+][C@H](CCC(C)C)c1ccc[nH]1 308478869 573027689 /nfs/dbraw/zinc/02/76/89/573027689.db2.gz LYDCPZZIGQQFKL-GFCCVEGCSA-N 1 0 194.322 3.102 10 0 AGAERO CCC[C@H]1CC(C)(C)CC[C@H]1C[NH3+] 87946514 573027735 /nfs/dbraw/zinc/02/77/35/573027735.db2.gz HALPYSGIKQJAIX-QWRGUYRKSA-N 1 0 183.339 3.188 10 0 AGAERO CC(C)(C)[C@@H]1CCCCC[C@H]1C[NH3+] 87944246 573028198 /nfs/dbraw/zinc/02/81/98/573028198.db2.gz WOWFVZBBFHFZHY-WDEREUQCSA-N 1 0 183.339 3.188 10 0 AGAERO CC(C)C[C@@H]1C[C@H](C)CC[C@H]1C[NH3+] 87944547 573027878 /nfs/dbraw/zinc/02/78/78/573027878.db2.gz WHUWRPNIZIKTNO-GRYCIOLGSA-N 1 0 183.339 3.044 10 0 AGAERO CC[NH2+]C[C@@H](C)[C@@H](C)c1ccsc1 87952287 573027930 /nfs/dbraw/zinc/02/79/30/573027930.db2.gz RXAGMRQRCBMOMK-NXEZZACHSA-N 1 0 197.347 3.097 10 0 AGAERO CC1(C)CC[C@H](C[NH3+])[C@@H](C(C)(C)C)C1 87946724 573028023 /nfs/dbraw/zinc/02/80/23/573028023.db2.gz TVNPFGQJLVYISL-MNOVXSKESA-N 1 0 197.366 3.434 10 0 AGAERO CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1C[NH3+] 87946023 573028070 /nfs/dbraw/zinc/02/80/70/573028070.db2.gz CFMNEJLUKSFWAI-IJLUTSLNSA-N 1 0 183.339 3.044 10 0 AGAERO CC(C)C[C@H]1CCCCC[C@@H]1C[NH3+] 87943884 573028114 /nfs/dbraw/zinc/02/81/14/573028114.db2.gz HCVCMBGCJHPEFU-VXGBXAGGSA-N 1 0 183.339 3.188 10 0 AGAERO CCCC[C@@H](C)CC[NH2+]C(C)C 87950254 573028124 /nfs/dbraw/zinc/02/81/24/573028124.db2.gz HRUCWOGOUALJSB-LLVKDONJSA-N 1 0 171.328 3.201 10 0 AGAERO CCC(CC)CC[NH2+]C[C@H]1C[C@H]1C 308227998 573028132 /nfs/dbraw/zinc/02/81/32/573028132.db2.gz NRIIGTOEGYLNCX-ZYHUDNBSSA-N 1 0 183.339 3.058 10 0 AGAERO CC[C@H](C)[C@H]1CC(C)(C)CC[C@@H]1C[NH3+] 87946784 573028229 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LYDCPZZIGQQFKL-LBPRGKRZSA-N 1 0 194.322 3.102 10 0 AGAERO [NH3+]C[C@@H]1CCCCC[C@H]1C1CCCC1 87943791 573029185 /nfs/dbraw/zinc/02/91/85/573029185.db2.gz DGENOALDOFCTLN-STQMWFEESA-N 1 0 195.350 3.332 10 0 AGAERO CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] 87946250 573029192 /nfs/dbraw/zinc/02/91/92/573029192.db2.gz FKCCEMBDZYWFBY-UTUOFQBUSA-N 1 0 197.366 3.434 10 0 AGAERO C/C(=C\CC[NH3+])C[C@@H]1CCC[C@H](C)C1 308477592 573029324 /nfs/dbraw/zinc/02/93/24/573029324.db2.gz KAZBFJCSRJTGOU-FTKQDORFSA-N 1 0 195.350 3.498 10 0 AGAERO CC(C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1C[NH3+] 87945865 573029361 /nfs/dbraw/zinc/02/93/61/573029361.db2.gz TUDWZFRCGQCEBX-UPJWGTAASA-N 1 0 197.366 3.290 10 0 AGAERO CC(C)C[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] 87944543 573029390 /nfs/dbraw/zinc/02/93/90/573029390.db2.gz WHUWRPNIZIKTNO-IJLUTSLNSA-N 1 0 183.339 3.044 10 0 AGAERO CCCC[N@H+](CCCF)[C@H](C)CC 308230243 573029410 /nfs/dbraw/zinc/02/94/10/573029410.db2.gz OJPUXGRJHJAXRZ-LLVKDONJSA-N 1 0 189.318 3.247 10 0 AGAERO CC1(C)CC[C@@H](C[NH3+])[C@@H](C(C)(C)C)C1 87946727 573029414 /nfs/dbraw/zinc/02/94/14/573029414.db2.gz TVNPFGQJLVYISL-QWRGUYRKSA-N 1 0 197.366 3.434 10 0 AGAERO CCC[C@@H]1CC(C)(C)CC[C@H]1C[NH3+] 87946511 573029467 /nfs/dbraw/zinc/02/94/67/573029467.db2.gz HALPYSGIKQJAIX-MNOVXSKESA-N 1 0 183.339 3.188 10 0 AGAERO CC(C)[C@H]1CC(C)(C)CC[C@H]1C[NH3+] 87946329 573029522 /nfs/dbraw/zinc/02/95/22/573029522.db2.gz XGOWKWGTFIWVPG-WDEREUQCSA-N 1 0 183.339 3.044 10 0 AGAERO CCC[C@@H]1CC(C)(C)CC[C@@H]1C[NH3+] 87946507 573029563 /nfs/dbraw/zinc/02/95/63/573029563.db2.gz HALPYSGIKQJAIX-GHMZBOCLSA-N 1 0 183.339 3.188 10 0 AGAERO CCCCC[N@@H+]1CCCCC[C@H]1C 308230271 573029573 /nfs/dbraw/zinc/02/95/73/573029573.db2.gz OKPLSSOWOXGXOQ-GFCCVEGCSA-N 1 0 183.339 3.441 10 0 AGAERO CC(C)(C)[C@H]1CCCCC[C@@H]1C[NH3+] 87944243 573029590 /nfs/dbraw/zinc/02/95/90/573029590.db2.gz WOWFVZBBFHFZHY-MNOVXSKESA-N 1 0 183.339 3.188 10 0 AGAERO CC(C)[C@@H]1C[C@H](C(C)C)CC[C@H]1C[NH3+] 87945870 573029622 /nfs/dbraw/zinc/02/96/22/573029622.db2.gz TUDWZFRCGQCEBX-AGIUHOORSA-N 1 0 197.366 3.290 10 0 AGAERO CC[C@H](C)[C@H]1CCCCC[C@@H]1C[NH3+] 87944294 573029666 /nfs/dbraw/zinc/02/96/66/573029666.db2.gz BIXFOTHYEJHXEV-QJPTWQEYSA-N 1 0 183.339 3.188 10 0 AGAERO CC[C@H](C)[C@@H]1CC(C)(C)CC[C@@H]1C[NH3+] 87946779 573029694 /nfs/dbraw/zinc/02/96/94/573029694.db2.gz TVBSVCAVOWFBCP-TUAOUCFPSA-N 1 0 197.366 3.434 10 0 AGAERO CC(C)C[C@H]1CC(C)(C)CC[C@H]1C[NH3+] 87946432 573029788 /nfs/dbraw/zinc/02/97/88/573029788.db2.gz YWFUHTIANHMHKV-RYUDHWBXSA-N 1 0 197.366 3.434 10 0 AGAERO CCCCC[N@@H+]1CCCCC[C@@H]1C 308230272 573030554 /nfs/dbraw/zinc/03/05/54/573030554.db2.gz OKPLSSOWOXGXOQ-LBPRGKRZSA-N 1 0 183.339 3.441 10 0 AGAERO C[NH2+]C[C@@H]1CCCCC[C@@H]1C(C)(C)C 87962746 573030614 /nfs/dbraw/zinc/03/06/14/573030614.db2.gz LYECNHSHLKVFOO-RYUDHWBXSA-N 1 0 197.366 3.448 10 0 AGAERO CCC(CC)C[C@H](CC)C[NH2+]C 128397166 573030802 /nfs/dbraw/zinc/03/08/02/573030802.db2.gz IGKNDSRBSCCADJ-NSHDSACASA-N 1 0 171.328 3.058 10 0 AGAERO CCC[C@@H]1CC(C)(C)CC[C@@H]1C[NH2+]C 87966444 573030826 /nfs/dbraw/zinc/03/08/26/573030826.db2.gz BKUUGRPDPHLQDO-VXGBXAGGSA-N 1 0 197.366 3.448 10 0 AGAERO CC[NH2+]C[C@@H]1CCCCC[C@@H]1C1CC1 87962904 573030890 /nfs/dbraw/zinc/03/08/90/573030890.db2.gz CFWCWQPRGXVHAM-QWHCGFSZSA-N 1 0 195.350 3.202 10 0 AGAERO CCC[C@@H]1C[C@H](C)CC[C@@H]1C[NH2+]C 87963938 573030900 /nfs/dbraw/zinc/03/09/00/573030900.db2.gz FFBKXQXTDKMRMR-IJLUTSLNSA-N 1 0 183.339 3.058 10 0 AGAERO CC[NH2+]C[C@H]1CC[C@@H](C(C)C)C[C@@H]1C 87965996 573030968 /nfs/dbraw/zinc/03/09/68/573030968.db2.gz YMVYLMDVVOHUSR-YNEHKIRRSA-N 1 0 197.366 3.304 10 0 AGAERO CC[NH2+][C@@H]1C[C@@H](C(C)C)CC[C@@H]1C 238248366 573031093 /nfs/dbraw/zinc/03/10/93/573031093.db2.gz GCAISAKCVHMDJH-SDDRHHMPSA-N 1 0 183.339 3.057 10 0 AGAERO CC(C)C[C@H]1CCC[C@@H]1C[NH2+]C1CC1 87959412 573031161 /nfs/dbraw/zinc/03/11/61/573031161.db2.gz BAYCMYQCVMDLGO-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[NH2+]C[C@@H]1CCCCC[C@@H]1C 87963322 573031237 /nfs/dbraw/zinc/03/12/37/573031237.db2.gz XARDWUFJKMQWNL-RYUDHWBXSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+]C[C@@H]1CCCCC[C@@H]1CC 87963012 573031296 /nfs/dbraw/zinc/03/12/96/573031296.db2.gz WIOVJHOKQKYMSV-RYUDHWBXSA-N 1 0 183.339 3.202 10 0 AGAERO CC[NH2+]C[C@@H]1CCC(C)(C)C[C@@H]1C 87966576 573031311 /nfs/dbraw/zinc/03/13/11/573031311.db2.gz VYZNFONOCIUDRD-QWRGUYRKSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)[NH2+]CCC(C)(C)C(C)C 87957373 573031391 /nfs/dbraw/zinc/03/13/91/573031391.db2.gz XYMAFIQYFBVPRJ-UHFFFAOYSA-N 1 0 171.328 3.057 10 0 AGAERO C[NH2+]C[C@H]1CCCC[C@@H]1C1CCCC1 87960623 573031415 /nfs/dbraw/zinc/03/14/15/573031415.db2.gz WYUMSQVKPLICEY-CHWSQXEVSA-N 1 0 195.350 3.202 10 0 AGAERO C[NH2+]C[C@H]1CCC(C)(C)C[C@@H]1C(C)C 87966361 573031835 /nfs/dbraw/zinc/03/18/35/573031835.db2.gz ILTYPIIXRNDAKI-VXGBXAGGSA-N 1 0 197.366 3.304 10 0 AGAERO CC[NH2+]C[C@@H]1CCC[C@@H]1CC(C)C 87958226 573031932 /nfs/dbraw/zinc/03/19/32/573031932.db2.gz BDXYZNVJSBHGNT-NEPJUHHUSA-N 1 0 183.339 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/nfs/dbraw/zinc/03/22/41/573032241.db2.gz MQVYALRGMPFMBW-VXGBXAGGSA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@H](CC)[C@H]1CC[C@@H](C)[C@@H](C)C1 221200886 573032264 /nfs/dbraw/zinc/03/22/64/573032264.db2.gz ZMLOFCYXCVLLKA-MROQNXINSA-N 1 0 197.366 3.447 10 0 AGAERO C[C@H]1C[C@@]1(C)C[NH2+]CCC1=CCCC1 714621714 573032300 /nfs/dbraw/zinc/03/23/00/573032300.db2.gz KSBRXJGARBHOOC-AAEUAGOBSA-N 1 0 193.334 3.123 10 0 AGAERO CCCC[NH2+]Cc1cc(C)cc(F)c1 131859471 573032545 /nfs/dbraw/zinc/03/25/45/573032545.db2.gz ZRSJVDHYUBGSOD-UHFFFAOYSA-N 1 0 195.281 3.024 10 0 AGAERO C[NH2+]C[C@@H]1CCCCC[C@H]1C(C)(C)C 87962744 573032557 /nfs/dbraw/zinc/03/25/57/573032557.db2.gz LYECNHSHLKVFOO-NWDGAFQWSA-N 1 0 197.366 3.448 10 0 AGAERO C[NH2+]C[C@@H]1CCCC[C@@H]1C1CCCC1 87960622 573032694 /nfs/dbraw/zinc/03/26/94/573032694.db2.gz WYUMSQVKPLICEY-QWHCGFSZSA-N 1 0 195.350 3.202 10 0 AGAERO CC(C)[NH2+]C[C@H]1CCCCC[C@H]1C 87963316 573032829 /nfs/dbraw/zinc/03/28/29/573032829.db2.gz XARDWUFJKMQWNL-VXGBXAGGSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+]C[C@H]1CCC(C)(C)C[C@H]1C 87966589 573032865 /nfs/dbraw/zinc/03/28/65/573032865.db2.gz VYZNFONOCIUDRD-GHMZBOCLSA-N 1 0 183.339 3.058 10 0 AGAERO CC1CCC([C@H]([NH3+])C2=CCCC2)CC1 123474475 573032877 /nfs/dbraw/zinc/03/28/77/573032877.db2.gz JBSMXCVZDZLEFM-KGPNIALWSA-N 1 0 193.334 3.250 10 0 AGAERO CC1CCC([C@@H]([NH3+])C2=CCCC2)CC1 123474750 573032929 /nfs/dbraw/zinc/03/29/29/573032929.db2.gz JBSMXCVZDZLEFM-GDKBPFBDSA-N 1 0 193.334 3.250 10 0 AGAERO CC(C)[NH2+]C[C@H]1CCCCC[C@@H]1C 87963318 573032963 /nfs/dbraw/zinc/03/29/63/573032963.db2.gz XARDWUFJKMQWNL-NWDGAFQWSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@@H]1C[C@H](C(C)C)CC[C@@H]1C 238249097 573033080 /nfs/dbraw/zinc/03/30/80/573033080.db2.gz GCAISAKCVHMDJH-QJPTWQEYSA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+]C[C@@H]1CCC[C@@H]1C1CCCCC1 87957655 573033089 /nfs/dbraw/zinc/03/30/89/573033089.db2.gz YAWALZJPZLFGAC-QWHCGFSZSA-N 1 0 195.350 3.202 10 0 AGAERO C[C@@H]1CC(C)(C)CC[C@H]1C[NH2+]C1CC1 87966839 573033113 /nfs/dbraw/zinc/03/31/13/573033113.db2.gz NKUODWVSAJDCMF-MNOVXSKESA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@H]1CCCCC[C@@H]1C[NH2+]C1CC1 87963510 573033171 /nfs/dbraw/zinc/03/31/71/573033171.db2.gz HZQDNZLNFPMEFM-VXGBXAGGSA-N 1 0 195.350 3.345 10 0 AGAERO C[NH2+]C[C@@H]1CCC(C)(C)C[C@H]1C(C)C 87966365 573033205 /nfs/dbraw/zinc/03/32/05/573033205.db2.gz ILTYPIIXRNDAKI-RYUDHWBXSA-N 1 0 197.366 3.304 10 0 AGAERO C[NH2+]C[C@@H]1CCC(C)(C)C[C@H]1C1CC1 87966345 573033265 /nfs/dbraw/zinc/03/32/65/573033265.db2.gz PDHBDGGMPWSZHU-RYUDHWBXSA-N 1 0 195.350 3.058 10 0 AGAERO C[NH2+]C[C@@H]1CCC[C@H]1C1CCCCC1 87957657 573033672 /nfs/dbraw/zinc/03/36/72/573033672.db2.gz YAWALZJPZLFGAC-STQMWFEESA-N 1 0 195.350 3.202 10 0 AGAERO C[C@H]1CC(C)(C)CC[C@H]1C[NH2+]C1CC1 87966840 573033272 /nfs/dbraw/zinc/03/32/72/573033272.db2.gz NKUODWVSAJDCMF-QWRGUYRKSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+]CCC(C)(C)CCC(C)(C)C 87956951 573033371 /nfs/dbraw/zinc/03/33/71/573033371.db2.gz CDOKLPRXTYHJHC-UHFFFAOYSA-N 1 0 185.355 3.448 10 0 AGAERO C[NH2+]C[C@H]1CCCCC[C@H]1C(C)C 87962506 573033416 /nfs/dbraw/zinc/03/34/16/573033416.db2.gz LSKDFXZNSHOBCZ-NEPJUHHUSA-N 1 0 183.339 3.058 10 0 AGAERO C[C@@H]1C[C@]1(C)C[NH2+]CCC1=CCCC1 714621719 573033476 /nfs/dbraw/zinc/03/34/76/573033476.db2.gz KSBRXJGARBHOOC-DGCLKSJQSA-N 1 0 193.334 3.123 10 0 AGAERO CC[C@@H]1CC(C)(C)CC[C@H]1C[NH2+]C 87966440 573033535 /nfs/dbraw/zinc/03/35/35/573033535.db2.gz YAONDANKGPWFPT-MNOVXSKESA-N 1 0 183.339 3.058 10 0 AGAERO C[NH2+]C[C@H]1CCCCC[C@@H]1C(C)C 87962508 573033557 /nfs/dbraw/zinc/03/35/57/573033557.db2.gz LSKDFXZNSHOBCZ-VXGBXAGGSA-N 1 0 183.339 3.058 10 0 AGAERO CCC[C@@H]1C=C[C@@H]2[C@@H](C)CCC[C@@H]2[NH2+]1 238249036 573033596 /nfs/dbraw/zinc/03/35/96/573033596.db2.gz YTYLLYGHROFZKI-LOWDOPEQSA-N 1 0 193.334 3.119 10 0 AGAERO C[NH2+]C[C@@H]1CCC(C)(C)C[C@@H]1C1CC1 87966349 573033643 /nfs/dbraw/zinc/03/36/43/573033643.db2.gz PDHBDGGMPWSZHU-NWDGAFQWSA-N 1 0 195.350 3.058 10 0 AGAERO CC(C)[NH2+]C[C@H]1CCC(C)(C)C[C@@H]1C 87966760 573033732 /nfs/dbraw/zinc/03/37/32/573033732.db2.gz MQVYALRGMPFMBW-NWDGAFQWSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H]1CC(C)(C)CC[C@@H]1C[NH2+]C 87966437 573033835 /nfs/dbraw/zinc/03/38/35/573033835.db2.gz YAONDANKGPWFPT-GHMZBOCLSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)(C)[NH2+]CCC(C)(C)C1CC1 87957535 573033878 /nfs/dbraw/zinc/03/38/78/573033878.db2.gz IQUVTALXJNBXNW-UHFFFAOYSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+]C[C@H]1CCCCC[C@@H]1C(C)(C)C 87962743 573033883 /nfs/dbraw/zinc/03/38/83/573033883.db2.gz LYECNHSHLKVFOO-NEPJUHHUSA-N 1 0 197.366 3.448 10 0 AGAERO C[NH2+]C[C@H]1CCC(C)(C)C[C@H]1C(C)C 87966359 573033945 /nfs/dbraw/zinc/03/39/45/573033945.db2.gz ILTYPIIXRNDAKI-NEPJUHHUSA-N 1 0 197.366 3.304 10 0 AGAERO CC(C)[NH2+]C[C@@H]1CCCCC[C@H]1C 87963320 573033952 /nfs/dbraw/zinc/03/39/52/573033952.db2.gz XARDWUFJKMQWNL-NEPJUHHUSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+]C[C@H]1CCCCC[C@H]1C(C)(C)C 87962742 573033960 /nfs/dbraw/zinc/03/39/60/573033960.db2.gz LYECNHSHLKVFOO-VXGBXAGGSA-N 1 0 197.366 3.448 10 0 AGAERO C[C@@H]1CC(C)(C)CC[C@@H]1C[NH2+]C1CC1 87966836 573033968 /nfs/dbraw/zinc/03/39/68/573033968.db2.gz NKUODWVSAJDCMF-GHMZBOCLSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[NH2+]C[C@@H]1CCC(C)(C)C[C@H]1C 87966761 573034109 /nfs/dbraw/zinc/03/41/09/573034109.db2.gz MQVYALRGMPFMBW-NEPJUHHUSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@@H](C)[C@@H]1CCCC[C@@H]1C[NH2+]C 87960734 573034158 /nfs/dbraw/zinc/03/41/58/573034158.db2.gz FAULVTOCCXMFCJ-UTUOFQBUSA-N 1 0 183.339 3.058 10 0 AGAERO C[NH2+]C[C@H]1CCC[C@@H]1C1CCCCC1 87957656 573034164 /nfs/dbraw/zinc/03/41/64/573034164.db2.gz YAWALZJPZLFGAC-CHWSQXEVSA-N 1 0 195.350 3.202 10 0 AGAERO C[NH2+]C[C@H]1CCC(C)(C)C[C@H]1C1CC1 87966342 573034342 /nfs/dbraw/zinc/03/43/42/573034342.db2.gz PDHBDGGMPWSZHU-NEPJUHHUSA-N 1 0 195.350 3.058 10 0 AGAERO C[C@@H]1C[C@@]1(C)C[NH2+]CCC1=CCCC1 714621725 573034485 /nfs/dbraw/zinc/03/44/85/573034485.db2.gz KSBRXJGARBHOOC-YPMHNXCESA-N 1 0 193.334 3.123 10 0 AGAERO C[NH2+]C[C@H]1CCC(C)(C)C[C@@H]1C1CC1 87966347 573034625 /nfs/dbraw/zinc/03/46/25/573034625.db2.gz PDHBDGGMPWSZHU-VXGBXAGGSA-N 1 0 195.350 3.058 10 0 AGAERO CCCC[C@@H]1CCCC[C@@H]1C[NH2+]C 87960505 573034664 /nfs/dbraw/zinc/03/46/64/573034664.db2.gz IZXYVLMXGOJRKC-VXGBXAGGSA-N 1 0 183.339 3.202 10 0 AGAERO C[NH2+]C[C@@H]1CCCC[C@H]1CCC(C)C 87960236 573034816 /nfs/dbraw/zinc/03/48/16/573034816.db2.gz WOACUPXHKMPKPN-STQMWFEESA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)[NH2+]C[C@@H]1CCC(C)(C)C[C@@H]1C 87966765 573034843 /nfs/dbraw/zinc/03/48/43/573034843.db2.gz MQVYALRGMPFMBW-RYUDHWBXSA-N 1 0 197.366 3.447 10 0 AGAERO CC[C@H]1CC(C)(C)CC[C@H]1C[NH2+]C 87966441 573034871 /nfs/dbraw/zinc/03/48/71/573034871.db2.gz YAONDANKGPWFPT-QWRGUYRKSA-N 1 0 183.339 3.058 10 0 AGAERO [NH3+][C@@H](CC1CCCCC1)CC1CCC1 128420439 573035042 /nfs/dbraw/zinc/03/50/42/573035042.db2.gz IZOSHVZRFNFPKT-ZDUSSCGKSA-N 1 0 195.350 3.474 10 0 AGAERO CC[NH2+]C[C@H]1CCC(C)(C)C[C@@H]1C 87966584 573034896 /nfs/dbraw/zinc/03/48/96/573034896.db2.gz VYZNFONOCIUDRD-WDEREUQCSA-N 1 0 183.339 3.058 10 0 AGAERO CCC(CC)C[C@H]1CCCC[C@@H]1[NH3+] 128441101 573034970 /nfs/dbraw/zinc/03/49/70/573034970.db2.gz ZPHYCHZHTRBFTJ-NEPJUHHUSA-N 1 0 183.339 3.330 10 0 AGAERO C[NH2+]C[C@@H]1CCCC[C@H]1C1CCCC1 87960625 573034971 /nfs/dbraw/zinc/03/49/71/573034971.db2.gz WYUMSQVKPLICEY-STQMWFEESA-N 1 0 195.350 3.202 10 0 AGAERO CC[NH2+][C@H](CC1CCC1)[C@@H](C)C1CC1 128450027 573035167 /nfs/dbraw/zinc/03/51/67/573035167.db2.gz OZWFOCRHSSMXCU-GXFFZTMASA-N 1 0 195.350 3.201 10 0 AGAERO CC1=C([C@@H]2CC[NH2+]C2)C(C)(C)CCC1 238249422 573035171 /nfs/dbraw/zinc/03/51/71/573035171.db2.gz SRLOBVOMPXDWME-LLVKDONJSA-N 1 0 193.334 3.123 10 0 AGAERO CC1=C([C@H]2CC[NH2+]C2)C(C)(C)CCC1 238249764 573035821 /nfs/dbraw/zinc/03/58/21/573035821.db2.gz SRLOBVOMPXDWME-NSHDSACASA-N 1 0 193.334 3.123 10 0 AGAERO CC[C@H]([NH2+]C)c1ccccc1C(C)C 393655538 573035973 /nfs/dbraw/zinc/03/59/73/573035973.db2.gz GDLKYVHEAACWDH-ZDUSSCGKSA-N 1 0 191.318 3.481 10 0 AGAERO C[NH2+][C@@H](CC1CCC1)c1coc(C)c1 128412493 573036003 /nfs/dbraw/zinc/03/60/03/573036003.db2.gz DPEMAQAIRDFTAC-LBPRGKRZSA-N 1 0 193.290 3.039 10 0 AGAERO CC[C@@H]([NH2+]C)c1ccccc1C(C)C 393655537 573036310 /nfs/dbraw/zinc/03/63/10/573036310.db2.gz GDLKYVHEAACWDH-CYBMUJFWSA-N 1 0 191.318 3.481 10 0 AGAERO C[NH2+][C@@H](CC1CCC1)[C@H](C)C(C)C 128453307 573036530 /nfs/dbraw/zinc/03/65/30/573036530.db2.gz JCPBPICNTWVWIV-PWSUYJOCSA-N 1 0 183.339 3.057 10 0 AGAERO CCC(CC)C[C@](C)(CC)C[NH3+] 128403786 573036660 /nfs/dbraw/zinc/03/66/60/573036660.db2.gz JPTIVOCEIPZKPZ-NSHDSACASA-N 1 0 171.328 3.188 10 0 AGAERO CC[N@H+](C)[C@@H](C)CCc1ccsc1 308237061 573037221 /nfs/dbraw/zinc/03/72/21/573037221.db2.gz RDQQPXQMYJSDPJ-JTQLQIEISA-N 1 0 197.347 3.021 10 0 AGAERO CC[C@@H](C)C[C@@H](C)[C@@H](CC)[NH2+]C 82443363 573037118 /nfs/dbraw/zinc/03/71/18/573037118.db2.gz PPTWCFAXHJNKGZ-GMTAPVOTSA-N 1 0 171.328 3.057 10 0 AGAERO CCC(CC)[N@H+](C)[C@@H]1CCC[C@H]1C 308237450 573037184 /nfs/dbraw/zinc/03/71/84/573037184.db2.gz RHSYKNHYFCHCAX-ZYHUDNBSSA-N 1 0 183.339 3.295 10 0 AGAERO CC[NH2+][C@@H](CC1CCC1)[C@H](C)C1CC1 128450229 573037186 /nfs/dbraw/zinc/03/71/86/573037186.db2.gz OZWFOCRHSSMXCU-MFKMUULPSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+][C@H](CC1CCC1)c1coc(C)c1 128412284 573037219 /nfs/dbraw/zinc/03/72/19/573037219.db2.gz DPEMAQAIRDFTAC-GFCCVEGCSA-N 1 0 193.290 3.039 10 0 AGAERO CC[NH2+]CC1(CC(CC)CC)CC1 128422451 573037609 /nfs/dbraw/zinc/03/76/09/573037609.db2.gz SSIHTOSLPIGZHM-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO CCC(CC)C[C@@](C)(CC)C[NH2+]C 128412763 573037658 /nfs/dbraw/zinc/03/76/58/573037658.db2.gz JCLSOGUQTCSOSA-GFCCVEGCSA-N 1 0 185.355 3.448 10 0 AGAERO CCC(CC)C[C@H]1CCC[C@H]1[NH2+]C 128451135 573038223 /nfs/dbraw/zinc/03/82/23/573038223.db2.gz NHSRRKLTVKLRHG-VXGBXAGGSA-N 1 0 183.339 3.201 10 0 AGAERO CCCC[C@]1(C[NH2+]C)CC[C@@H](C)C1 317580052 573038269 /nfs/dbraw/zinc/03/82/69/573038269.db2.gz PTQZTAXTUVQYOU-NEPJUHHUSA-N 1 0 183.339 3.202 10 0 AGAERO CCc1ccc([C@H]([NH3+])CC2CCC2)o1 128446518 573038490 /nfs/dbraw/zinc/03/84/90/573038490.db2.gz FFCIAOBCSLYSIP-LLVKDONJSA-N 1 0 193.290 3.032 10 0 AGAERO C[NH2+][C@H](CC1CCC1)[C@@H](C)C(C)C 128453064 573038539 /nfs/dbraw/zinc/03/85/39/573038539.db2.gz JCPBPICNTWVWIV-CMPLNLGQSA-N 1 0 183.339 3.057 10 0 AGAERO CCC[C@]12CC[C@](C)([C@@H]([NH3+])C1)C2(C)C 238262649 573038653 /nfs/dbraw/zinc/03/86/53/573038653.db2.gz HVJUCQWUAPXVQM-UHTWSYAYSA-N 1 0 195.350 3.330 10 0 AGAERO CCCC[C@]1(C[NH2+]C)CC[C@H](C)C1 317580058 573038678 /nfs/dbraw/zinc/03/86/78/573038678.db2.gz PTQZTAXTUVQYOU-RYUDHWBXSA-N 1 0 183.339 3.202 10 0 AGAERO CC[N@H+](C)[C@H](C)CCc1ccsc1 308237063 573038801 /nfs/dbraw/zinc/03/88/01/573038801.db2.gz RDQQPXQMYJSDPJ-SNVBAGLBSA-N 1 0 197.347 3.021 10 0 AGAERO C[NH2+]CSc1ccc(C(C)C)cc1 259315811 573038846 /nfs/dbraw/zinc/03/88/46/573038846.db2.gz VSEGTTSIWVDUGS-UHFFFAOYSA-N 1 0 195.331 3.079 10 0 AGAERO CCC(CC)(C[NH3+])CCCC(F)F 688728404 573038938 /nfs/dbraw/zinc/03/89/38/573038938.db2.gz RDAFSPILRGDKMI-UHFFFAOYSA-N 1 0 193.281 3.187 10 0 AGAERO CCC(CC)C[C@@H]1CCC[C@@H]1[NH2+]C 128450478 573039157 /nfs/dbraw/zinc/03/91/57/573039157.db2.gz NHSRRKLTVKLRHG-RYUDHWBXSA-N 1 0 183.339 3.201 10 0 AGAERO [NH3+][C@H](CC1CCCCC1)CC1CCC1 128420685 573039394 /nfs/dbraw/zinc/03/93/94/573039394.db2.gz IZOSHVZRFNFPKT-CYBMUJFWSA-N 1 0 195.350 3.474 10 0 AGAERO CCC(CC)C[C@@H]1CCC[C@H]1[NH2+]C 128450908 573039825 /nfs/dbraw/zinc/03/98/25/573039825.db2.gz NHSRRKLTVKLRHG-NWDGAFQWSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(C)(C)[C@@H](CC1CCC1)[NH2+]C 128427159 573040160 /nfs/dbraw/zinc/04/01/60/573040160.db2.gz ZBMXJWOAJXLGCQ-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)C[C@@H]1CCCC[C@H]1[NH3+] 128441328 573039891 /nfs/dbraw/zinc/03/98/91/573039891.db2.gz ZPHYCHZHTRBFTJ-NWDGAFQWSA-N 1 0 183.339 3.330 10 0 AGAERO CC[NH2+][C@H](CC1CCC1)[C@H](C)C1CC1 128450461 573040185 /nfs/dbraw/zinc/04/01/85/573040185.db2.gz OZWFOCRHSSMXCU-ZWNOBZJWSA-N 1 0 195.350 3.201 10 0 AGAERO CCCC[C@@]1(C[NH2+]C)CC[C@@H](C)C1 317580062 573040211 /nfs/dbraw/zinc/04/02/11/573040211.db2.gz PTQZTAXTUVQYOU-VXGBXAGGSA-N 1 0 183.339 3.202 10 0 AGAERO CC[NH2+][C@@H](CC1CCC1)[C@@H](C)C1CC1 128449803 573040307 /nfs/dbraw/zinc/04/03/07/573040307.db2.gz OZWFOCRHSSMXCU-GWCFXTLKSA-N 1 0 195.350 3.201 10 0 AGAERO CCC(CC)C[C@H]1CCCC[C@H]1[NH3+] 128441565 573041298 /nfs/dbraw/zinc/04/12/98/573041298.db2.gz ZPHYCHZHTRBFTJ-VXGBXAGGSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(CC)CC1(C[NH3+])CCCC1 128401053 573040570 /nfs/dbraw/zinc/04/05/70/573040570.db2.gz GEHQDZYOLZDQAG-UHFFFAOYSA-N 1 0 183.339 3.332 10 0 AGAERO CC[NH2+]C[C@@H]1CC[C@H]2CCCC[C@@H]2C1 123481919 573040610 /nfs/dbraw/zinc/04/06/10/573040610.db2.gz YJLATSRNSFPXMM-JHJVBQTASA-N 1 0 195.350 3.202 10 0 AGAERO C[NH2+][C@H](CC1CCC1)[C@H](C)C(C)C 128452845 573040728 /nfs/dbraw/zinc/04/07/28/573040728.db2.gz JCPBPICNTWVWIV-ZYHUDNBSSA-N 1 0 183.339 3.057 10 0 AGAERO CC(C)C([NH2+]CC1(C)CC1)C(C)C 308233184 573040745 /nfs/dbraw/zinc/04/07/45/573040745.db2.gz UPRPVOFPKCRAPA-UHFFFAOYSA-N 1 0 183.339 3.057 10 0 AGAERO CCC(CC)C[C@H]1CCC[C@@H]1[NH2+]C 128450698 573040811 /nfs/dbraw/zinc/04/08/11/573040811.db2.gz NHSRRKLTVKLRHG-NEPJUHHUSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)C[C@@H]1CCCC[C@@H]1[NH3+] 128440841 573040928 /nfs/dbraw/zinc/04/09/28/573040928.db2.gz ZPHYCHZHTRBFTJ-RYUDHWBXSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(CC)CC1(C[NH2+]C)CCC1 128419873 573040941 /nfs/dbraw/zinc/04/09/41/573040941.db2.gz HAWWXUHCOCUAJQ-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO CC[C@](C)([NH2+]C[C@]1(C)C[C@H]1C)C1CC1 714622317 573041072 /nfs/dbraw/zinc/04/10/72/573041072.db2.gz MKUKHKNFQDZVQM-WXHSDQCUSA-N 1 0 195.350 3.201 10 0 AGAERO CCCC[C@@H](CC)CC[NH+]1CCC1 308233269 573041221 /nfs/dbraw/zinc/04/12/21/573041221.db2.gz PTKFNNKNBHQPKQ-GFCCVEGCSA-N 1 0 183.339 3.299 10 0 AGAERO CCc1ccc([C@@H]([NH3+])CC2CCC2)o1 128446751 573041268 /nfs/dbraw/zinc/04/12/68/573041268.db2.gz FFCIAOBCSLYSIP-NSHDSACASA-N 1 0 193.290 3.032 10 0 AGAERO CC[NH2+]C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 123481461 573041680 /nfs/dbraw/zinc/04/16/80/573041680.db2.gz YJLATSRNSFPXMM-FRRDWIJNSA-N 1 0 195.350 3.202 10 0 AGAERO CCCC[C@H](CC)CC[NH+]1CCC1 308233270 573041692 /nfs/dbraw/zinc/04/16/92/573041692.db2.gz PTKFNNKNBHQPKQ-LBPRGKRZSA-N 1 0 183.339 3.299 10 0 AGAERO CC[C@@H](C)C[C@H](CC1CCC1)[NH2+]C 128459760 573042508 /nfs/dbraw/zinc/04/25/08/573042508.db2.gz ZZDARBCCRYDUMW-ZYHUDNBSSA-N 1 0 183.339 3.201 10 0 AGAERO CCC(CC)C[NH2+]C1CC(CC)C1 308248134 573043267 /nfs/dbraw/zinc/04/32/67/573043267.db2.gz YWBMVNMKDUJPKG-UHFFFAOYSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)=CCC[C@]1(C)CC[C@H]([NH3+])C1 642826622 573044044 /nfs/dbraw/zinc/04/40/44/573044044.db2.gz MMFPTOZRPKAKHW-NWDGAFQWSA-N 1 0 181.323 3.250 10 0 AGAERO CC[C@H](C)[C@H](C)C[C@H]1CCCC[NH2+]1 308233839 573044227 /nfs/dbraw/zinc/04/42/27/573044227.db2.gz UXJKMIMPBBVJRF-QJPTWQEYSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H](C)[C@@H](C)CC(CC)CC 128460550 573044420 /nfs/dbraw/zinc/04/44/20/573044420.db2.gz FZVSMVAVRPHFSG-WDEREUQCSA-N 1 0 185.355 3.447 10 0 AGAERO CC(C)[C@@H]1CC(C)(C)C[C@@](C)([NH3+])C1 113893482 573044783 /nfs/dbraw/zinc/04/47/83/573044783.db2.gz IMRNCENQRSBDRW-PWSUYJOCSA-N 1 0 183.339 3.186 10 0 AGAERO C/C=C\CC[NH2+][C@@H](CC)CCC 224648259 573044670 /nfs/dbraw/zinc/04/46/70/573044670.db2.gz YVOKXDVWLMSRHW-IBHLPDHGSA-N 1 0 169.312 3.121 10 0 AGAERO CCCCCC[C@@H](F)CC(C)(C)[NH3+] 308234464 573045014 /nfs/dbraw/zinc/04/50/14/573045014.db2.gz VGDIFYLYFGGBRL-SNVBAGLBSA-N 1 0 189.318 3.422 10 0 AGAERO CC[C@H](C)[C@@H](C)C[C@H]1CCCC[NH2+]1 308233840 573044881 /nfs/dbraw/zinc/04/48/81/573044881.db2.gz UXJKMIMPBBVJRF-SDDRHHMPSA-N 1 0 183.339 3.201 10 0 AGAERO CCCCCC[C@H](F)CC(C)(C)[NH3+] 308234463 573044928 /nfs/dbraw/zinc/04/49/28/573044928.db2.gz VGDIFYLYFGGBRL-JTQLQIEISA-N 1 0 189.318 3.422 10 0 AGAERO CC[C@H](C)C[C@H](CC1CCC1)[NH2+]C 128459970 573045047 /nfs/dbraw/zinc/04/50/47/573045047.db2.gz ZZDARBCCRYDUMW-CMPLNLGQSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)[C@H]1CC(C)(C)C[C@@](C)([NH3+])C1 113893485 573045185 /nfs/dbraw/zinc/04/51/85/573045185.db2.gz IMRNCENQRSBDRW-JQWIXIFHSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@@H](C)C[C@@H](CC1CCC1)[NH2+]C 128459232 573045281 /nfs/dbraw/zinc/04/52/81/573045281.db2.gz ZZDARBCCRYDUMW-PWSUYJOCSA-N 1 0 183.339 3.201 10 0 AGAERO CCCCC[N@@H+]1CCCC(C)(C)C1 308247683 573045308 /nfs/dbraw/zinc/04/53/08/573045308.db2.gz YAMDINAHKDYVFD-UHFFFAOYSA-N 1 0 183.339 3.299 10 0 AGAERO CC[NH2+][C@@H](C)[C@@H](C)CC(CC)CC 128461029 573045536 /nfs/dbraw/zinc/04/55/36/573045536.db2.gz FZVSMVAVRPHFSG-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO CC(C)[C@@H]1CC(C)(C)C[C@](C)([NH3+])C1 113893487 573045768 /nfs/dbraw/zinc/04/57/68/573045768.db2.gz IMRNCENQRSBDRW-ZYHUDNBSSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)(C)[NH2+]CC(C)(C)C(C)(C)C 308248008 573045892 /nfs/dbraw/zinc/04/58/92/573045892.db2.gz YPVOLDOLWPGBJG-UHFFFAOYSA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@@H](C)[NH2+]Cc1cc(C)cc(F)c1 131861693 573045921 /nfs/dbraw/zinc/04/59/21/573045921.db2.gz YKOWBMIRHCQMIW-SNVBAGLBSA-N 1 0 195.281 3.022 10 0 AGAERO CC[C@H](C)C[C@@H](CC1CCC1)[NH2+]C 128459455 573046998 /nfs/dbraw/zinc/04/69/98/573046998.db2.gz ZZDARBCCRYDUMW-JQWIXIFHSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H](C)[NH2+]Cc1cc(C)cc(F)c1 131861903 573046423 /nfs/dbraw/zinc/04/64/23/573046423.db2.gz YKOWBMIRHCQMIW-JTQLQIEISA-N 1 0 195.281 3.022 10 0 AGAERO CC(C)([NH3+])c1cccc2ccsc12 88038226 573047370 /nfs/dbraw/zinc/04/73/70/573047370.db2.gz KEZMELDKYZRNBQ-UHFFFAOYSA-N 1 0 191.299 3.095 10 0 AGAERO CC(C)C[C@@H]1[NH2+]CC[C@H]1C1(C)CCC1 686130598 573047699 /nfs/dbraw/zinc/04/76/99/573047699.db2.gz GMZPAKMRIKIERY-NEPJUHHUSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+][C@@H](c1sc(C)cc1C)C1CC1 88047596 573047775 /nfs/dbraw/zinc/04/77/75/573047775.db2.gz HALUCMROKIJGOO-SNVBAGLBSA-N 1 0 195.331 3.035 10 0 AGAERO Cc1cc(C)c([C@H]([NH3+])CC(C)C)s1 88047442 573048056 /nfs/dbraw/zinc/04/80/56/573048056.db2.gz BKCVKGHMFIAEAW-SNVBAGLBSA-N 1 0 197.347 3.411 10 0 AGAERO CC[C@@H]([NH2+]C)c1sc(C)cc1C 88047533 573048092 /nfs/dbraw/zinc/04/80/92/573048092.db2.gz SYDVPIFIQPVJJF-SECBINFHSA-N 1 0 183.320 3.035 10 0 AGAERO CC[C@H](C)[C@H](C)C[C@@H]1CCCC[NH2+]1 308233842 573048126 /nfs/dbraw/zinc/04/81/26/573048126.db2.gz UXJKMIMPBBVJRF-TUAOUCFPSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H](C)[C@@H](C)C[C@@H]1CCCC[NH2+]1 308233841 573048333 /nfs/dbraw/zinc/04/83/33/573048333.db2.gz UXJKMIMPBBVJRF-SRVKXCTJSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@@H](C)c1cccc2ccsc12 88038529 573048409 /nfs/dbraw/zinc/04/84/09/573048409.db2.gz DUCIPLROMBIBHF-QMMMGPOBSA-N 1 0 191.299 3.182 10 0 AGAERO CCC[NH2+][C@@H](C)c1sc(C)cc1C 88047758 573048603 /nfs/dbraw/zinc/04/86/03/573048603.db2.gz VKPOXTGQQZGKAL-JTQLQIEISA-N 1 0 197.347 3.426 10 0 AGAERO CC[C@@H]([NH3+])c1cccc2ccsc12 88038495 573048629 /nfs/dbraw/zinc/04/86/29/573048629.db2.gz NNNBZXBCTGDOJU-SNVBAGLBSA-N 1 0 191.299 3.311 10 0 AGAERO C[NH2+][C@H](c1sc(C)cc1C)C(C)C 88047549 573048716 /nfs/dbraw/zinc/04/87/16/573048716.db2.gz NGVXQJDQOWZANH-JTQLQIEISA-N 1 0 197.347 3.281 10 0 AGAERO CCC1([C@@H]([NH3+])CC2CCC2)CCCC1 128494731 573048738 /nfs/dbraw/zinc/04/87/38/573048738.db2.gz ALJVEBGCORAGNZ-LBPRGKRZSA-N 1 0 195.350 3.474 10 0 AGAERO CC[C@H](C)C[C@H]([NH3+])C(C1CC1)C1CC1 308486762 573048743 /nfs/dbraw/zinc/04/87/43/573048743.db2.gz PEUQNNGHZOUFMH-CABZTGNLSA-N 1 0 195.350 3.186 10 0 AGAERO C[NH2+][C@H](C)c1cccc2ccsc12 88038531 573048775 /nfs/dbraw/zinc/04/87/75/573048775.db2.gz DUCIPLROMBIBHF-MRVPVSSYSA-N 1 0 191.299 3.182 10 0 AGAERO C[NH2+][C@@H](c1sc(C)cc1C)C(C)C 88047548 573048810 /nfs/dbraw/zinc/04/88/10/573048810.db2.gz NGVXQJDQOWZANH-SNVBAGLBSA-N 1 0 197.347 3.281 10 0 AGAERO Cc1cc(C)c([C@@H]([NH3+])C2CCC2)s1 88047513 573048872 /nfs/dbraw/zinc/04/88/72/573048872.db2.gz VQKUZJKORGJABV-JTQLQIEISA-N 1 0 195.331 3.165 10 0 AGAERO Cc1cc(C)c([C@@H]([NH3+])CC(C)C)s1 88047443 573048994 /nfs/dbraw/zinc/04/89/94/573048994.db2.gz BKCVKGHMFIAEAW-JTQLQIEISA-N 1 0 197.347 3.411 10 0 AGAERO CCC(CC)[C@@H](CC1CCC1)[NH2+]C 128501181 573049016 /nfs/dbraw/zinc/04/90/16/573049016.db2.gz NRWOAYCZUFDUET-GFCCVEGCSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)C[C@H]1[NH2+]CC[C@@H]1C1(C)CCC1 686130599 573049219 /nfs/dbraw/zinc/04/92/19/573049219.db2.gz GMZPAKMRIKIERY-NWDGAFQWSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@H](C)[C@@H]([NH3+])c1sc(C)cc1C 88047404 573049740 /nfs/dbraw/zinc/04/97/40/573049740.db2.gz XVVGYVBZXDLOJB-GMSGAONNSA-N 1 0 197.347 3.411 10 0 AGAERO CC(C)C[C@H]1[NH2+]CC[C@H]1C1(C)CCC1 686130602 573049707 /nfs/dbraw/zinc/04/97/07/573049707.db2.gz GMZPAKMRIKIERY-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C[C@@H]1[NH2+]CC[C@@H]1C1(C)CCC1 686130601 573050306 /nfs/dbraw/zinc/05/03/06/573050306.db2.gz GMZPAKMRIKIERY-RYUDHWBXSA-N 1 0 195.350 3.201 10 0 AGAERO CC[NH2+][C@H](C)c1sc(C)cc1C 88047710 573050320 /nfs/dbraw/zinc/05/03/20/573050320.db2.gz SUOGGUWSDSCMCH-SECBINFHSA-N 1 0 183.320 3.035 10 0 AGAERO Cc1cc(C)c([C@H]([NH3+])[C@H]2C[C@@H]2C)s1 88047522 573050538 /nfs/dbraw/zinc/05/05/38/573050538.db2.gz ZKFRTRUURBYLJE-JMOVZRAMSA-N 1 0 195.331 3.021 10 0 AGAERO Cc1cc(C)c([C@@H]([NH3+])C(C)(C)C)s1 88047345 573050919 /nfs/dbraw/zinc/05/09/19/573050919.db2.gz CGKJGWUQCIBEPO-SNVBAGLBSA-N 1 0 197.347 3.411 10 0 AGAERO C[NH2+][C@H](c1sc(C)cc1C)C1CC1 88047597 573051051 /nfs/dbraw/zinc/05/10/51/573051051.db2.gz HALUCMROKIJGOO-JTQLQIEISA-N 1 0 195.331 3.035 10 0 AGAERO CC[C@H]([NH3+])c1cccc2ccsc12 88038493 573051058 /nfs/dbraw/zinc/05/10/58/573051058.db2.gz NNNBZXBCTGDOJU-JTQLQIEISA-N 1 0 191.299 3.311 10 0 AGAERO CC[C@@H](C)[C@H]([NH3+])c1sc(C)cc1C 88047402 573051974 /nfs/dbraw/zinc/05/19/74/573051974.db2.gz XVVGYVBZXDLOJB-XCBNKYQSSA-N 1 0 197.347 3.411 10 0 AGAERO Cc1ccccc1[C@@H]1CCC(C)(C)[NH2+]1 257938100 573052081 /nfs/dbraw/zinc/05/20/81/573052081.db2.gz CPSAYFJGCVRMSY-LBPRGKRZSA-N 1 0 189.302 3.198 10 0 AGAERO Cc1cc(C)c([C@H]([NH3+])C2CCC2)s1 88047512 573052231 /nfs/dbraw/zinc/05/22/31/573052231.db2.gz VQKUZJKORGJABV-SNVBAGLBSA-N 1 0 195.331 3.165 10 0 AGAERO CCC[C@H](C)[N@H+](C)C1(C)CCCC1 308249891 573052634 /nfs/dbraw/zinc/05/26/34/573052634.db2.gz AXURYXVSXHJIGR-NSHDSACASA-N 1 0 183.339 3.440 10 0 AGAERO CC(C)[C@]1(C[NH2+]C2CC2)CCC[C@H]1C 317632563 573052719 /nfs/dbraw/zinc/05/27/19/573052719.db2.gz CQPMOOXVSQLXBH-DGCLKSJQSA-N 1 0 195.350 3.201 10 0 AGAERO [NH3+]C1CCC2(CCCCCC2)CC1 114000390 573052985 /nfs/dbraw/zinc/05/29/85/573052985.db2.gz UVOSLFJGGGNEFE-UHFFFAOYSA-N 1 0 181.323 3.228 10 0 AGAERO CC(C)[NH2+][C@H](C)CCc1ccsc1 308248952 573053727 /nfs/dbraw/zinc/05/37/27/573053727.db2.gz GUCGBRSFNKUWKE-SNVBAGLBSA-N 1 0 197.347 3.067 10 0 AGAERO CCCCC[C@H]([NH3+])CC1CCC1 128522588 573053830 /nfs/dbraw/zinc/05/38/30/573053830.db2.gz PWYZQTFONQAWOI-NSHDSACASA-N 1 0 169.312 3.084 10 0 AGAERO CC[C@@H](F)C[N@H+](CC)CC(C)(C)C 308249140 573054297 /nfs/dbraw/zinc/05/42/97/573054297.db2.gz APZHWPLKMNZIAH-SNVBAGLBSA-N 1 0 189.318 3.103 10 0 AGAERO [NH3+][C@@H](CC1CCCC1)CC1CCC1 128501602 573054382 /nfs/dbraw/zinc/05/43/82/573054382.db2.gz WXAQQPSIFDEFES-LBPRGKRZSA-N 1 0 181.323 3.084 10 0 AGAERO CC(C)[C@]1(C[NH2+]C2CC2)CCC[C@@H]1C 317632564 573055241 /nfs/dbraw/zinc/05/52/41/573055241.db2.gz CQPMOOXVSQLXBH-WCQYABFASA-N 1 0 195.350 3.201 10 0 AGAERO CCCCC[C@H](CC1CCC1)[NH2+]C 128522367 573056668 /nfs/dbraw/zinc/05/66/68/573056668.db2.gz YSIDQHBTQDEYJI-GFCCVEGCSA-N 1 0 183.339 3.345 10 0 AGAERO [NH3+][C@H](CC1CCCC1)CC1CCC1 128501803 573056946 /nfs/dbraw/zinc/05/69/46/573056946.db2.gz WXAQQPSIFDEFES-GFCCVEGCSA-N 1 0 181.323 3.084 10 0 AGAERO CC[NH2+][C@@H](c1ccccc1)C(C)(C)F 308488172 573057090 /nfs/dbraw/zinc/05/70/90/573057090.db2.gz PGPDDHMMYOAWIZ-NSHDSACASA-N 1 0 195.281 3.085 10 0 AGAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCC1CC1 308487265 573057162 /nfs/dbraw/zinc/05/71/62/573057162.db2.gz AJBCLBCJZMLLJP-STQMWFEESA-N 1 0 195.350 3.201 10 0 AGAERO CCC(CC)[C@H](CC1CCC1)[NH2+]C 128501377 573057171 /nfs/dbraw/zinc/05/71/71/573057171.db2.gz NRWOAYCZUFDUET-LBPRGKRZSA-N 1 0 183.339 3.201 10 0 AGAERO CCCCC[C@@H](CC1CCC1)[NH2+]C 128522130 573057215 /nfs/dbraw/zinc/05/72/15/573057215.db2.gz YSIDQHBTQDEYJI-LBPRGKRZSA-N 1 0 183.339 3.345 10 0 AGAERO CC[C@@H](C)C[C@H]([NH3+])C(C1CC1)C1CC1 308487283 573057249 /nfs/dbraw/zinc/05/72/49/573057249.db2.gz PEUQNNGHZOUFMH-SKDRFNHKSA-N 1 0 195.350 3.186 10 0 AGAERO CCC[C@@H]1C[C@H]1[NH2+]CC(C)(C)CC 308239000 573057218 /nfs/dbraw/zinc/05/72/18/573057218.db2.gz RYGDIGWRCWIUKP-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CCCCCC[C@@H]([NH3+])C1(CC)CC1 308239694 573057278 /nfs/dbraw/zinc/05/72/78/573057278.db2.gz XROSXWOJLHSWRM-LLVKDONJSA-N 1 0 183.339 3.474 10 0 AGAERO CC(C)[C@H]1CC[C@H]1[NH2+]CCCC1CC1 308487262 573057411 /nfs/dbraw/zinc/05/74/11/573057411.db2.gz AJBCLBCJZMLLJP-CHWSQXEVSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@H]1CC[C@H]1[NH2+]CCC1(C)CC1 308492335 573057459 /nfs/dbraw/zinc/05/74/59/573057459.db2.gz CBQLXAXQVUUXMU-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@H]([NH2+]CCCCF)c1ccco1 308487443 573057516 /nfs/dbraw/zinc/05/75/16/573057516.db2.gz OARJCEHXTGSNLL-SNVBAGLBSA-N 1 0 199.269 3.070 10 0 AGAERO CC[NH2+][C@]1(C)C=CC(=C(C)C)CC1 238263514 573057624 /nfs/dbraw/zinc/05/76/24/573057624.db2.gz LDWNHPMDZBCDLN-GFCCVEGCSA-N 1 0 179.307 3.041 10 0 AGAERO CCCCC[C@@H]([NH3+])CC1CCC1 128522816 573057694 /nfs/dbraw/zinc/05/76/94/573057694.db2.gz PWYZQTFONQAWOI-LLVKDONJSA-N 1 0 169.312 3.084 10 0 AGAERO CCCCCC[C@H]([NH3+])C1(CC)CC1 308239695 573058644 /nfs/dbraw/zinc/05/86/44/573058644.db2.gz XROSXWOJLHSWRM-NSHDSACASA-N 1 0 183.339 3.474 10 0 AGAERO CC[C@H](C)C[C@@H]([NH3+])C(C1CC1)C1CC1 308487282 573058697 /nfs/dbraw/zinc/05/86/97/573058697.db2.gz PEUQNNGHZOUFMH-JOYOIKCWSA-N 1 0 195.350 3.186 10 0 AGAERO CCC[C@H]1C[C@H]1[NH2+]CC(C)(C)CC 308239005 573058754 /nfs/dbraw/zinc/05/87/54/573058754.db2.gz RYGDIGWRCWIUKP-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO [NH3+][C@H](CCC1CCCC1)CC1CCC1 128511860 573058855 /nfs/dbraw/zinc/05/88/55/573058855.db2.gz QVOSIMNIRGMFPG-CYBMUJFWSA-N 1 0 195.350 3.474 10 0 AGAERO CC[NH2+][C@H](c1ccc[nH]1)C(CC)CC 308488382 573058858 /nfs/dbraw/zinc/05/88/58/573058858.db2.gz PPAPQXAOJDPHFQ-LBPRGKRZSA-N 1 0 194.322 3.102 10 0 AGAERO C[C@H]1C[C@@H](CC2CCCCC2)CC[NH2+]1 235696862 573058985 /nfs/dbraw/zinc/05/89/85/573058985.db2.gz NVVBUECUZCMXGL-AAEUAGOBSA-N 1 0 195.350 3.345 10 0 AGAERO CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)CC1 238263529 573059433 /nfs/dbraw/zinc/05/94/33/573059433.db2.gz OQNQLWFDIGLWIA-XYPYZODXSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+]C/C(C)=C\C(C(C)C)C(C)C 308488397 573059445 /nfs/dbraw/zinc/05/94/45/573059445.db2.gz PPKZHBSXDGXOJP-WQLSENKSSA-N 1 0 197.366 3.470 10 0 AGAERO C[NH2+][C@H](C)[C@H](C)C[C@@H]1CCC[C@H](C)C1 308487434 573059482 /nfs/dbraw/zinc/05/94/82/573059482.db2.gz OAJLLZGBAUQSPQ-UMSGYPCISA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@H](c1ccccc1)C(C)(C)F 308488170 573059495 /nfs/dbraw/zinc/05/94/95/573059495.db2.gz PGPDDHMMYOAWIZ-LLVKDONJSA-N 1 0 195.281 3.085 10 0 AGAERO CC[NH2+][C@H](CC1CC1)[C@H](C)CC(C)C 308487785 573059615 /nfs/dbraw/zinc/05/96/15/573059615.db2.gz PKCDAKATGBHKGR-DGCLKSJQSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCC1CC1 308487264 573059778 /nfs/dbraw/zinc/05/97/78/573059778.db2.gz AJBCLBCJZMLLJP-QWHCGFSZSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@H]([NH2+]CCCCF)c1ccco1 308487441 573060041 /nfs/dbraw/zinc/06/00/41/573060041.db2.gz OARJCEHXTGSNLL-JTQLQIEISA-N 1 0 199.269 3.070 10 0 AGAERO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCC1CC1 308487263 573060073 /nfs/dbraw/zinc/06/00/73/573060073.db2.gz AJBCLBCJZMLLJP-OLZOCXBDSA-N 1 0 195.350 3.201 10 0 AGAERO CC[NH2+][C@H](CC1CC1)[C@@H](C)CC(C)C 308487786 573060149 /nfs/dbraw/zinc/06/01/49/573060149.db2.gz PKCDAKATGBHKGR-WCQYABFASA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)[C@H]1CC[C@@H]1[NH2+]CCC1(C)CC1 308492329 573060417 /nfs/dbraw/zinc/06/04/17/573060417.db2.gz CBQLXAXQVUUXMU-NEPJUHHUSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[NH2+][C@@H](CC)C(C1CC1)C1CC1 308487300 573060428 /nfs/dbraw/zinc/06/04/28/573060428.db2.gz PFSFLFOKVMCWCW-LBPRGKRZSA-N 1 0 195.350 3.201 10 0 AGAERO CC[NH2+][C@@H](CC1CC1)[C@@H](C)CC(C)C 308487784 573060568 /nfs/dbraw/zinc/06/05/68/573060568.db2.gz PKCDAKATGBHKGR-AAEUAGOBSA-N 1 0 197.366 3.447 10 0 AGAERO C/C=C\C[N@H+]1CCC[C@H](CC)CC1 308243205 573060723 /nfs/dbraw/zinc/06/07/23/573060723.db2.gz SZGNINJBCAKQTF-FHMRSRPSSA-N 1 0 181.323 3.075 10 0 AGAERO CCCC[C@H](CCC)[NH2+][C@@H]1C[C@@H]1C 308244249 573060757 /nfs/dbraw/zinc/06/07/57/573060757.db2.gz UKHINRGGTUXTGL-SDDRHHMPSA-N 1 0 183.339 3.343 10 0 AGAERO C[NH2+][C@H](C)[C@H](C)C[C@H]1CCC[C@H](C)C1 308487431 573060802 /nfs/dbraw/zinc/06/08/02/573060802.db2.gz OAJLLZGBAUQSPQ-LOWDOPEQSA-N 1 0 197.366 3.447 10 0 AGAERO C1CCCCC[C@@H]2C[NH2+][C@H]2CCCC1 85527151 573061056 /nfs/dbraw/zinc/06/10/56/573061056.db2.gz JVKINWYDPBTKGX-OLZOCXBDSA-N 1 0 195.350 3.489 10 0 AGAERO CCC[NH2+][C@H](CC)C(C1CC1)C1CC1 308487299 573061286 /nfs/dbraw/zinc/06/12/86/573061286.db2.gz PFSFLFOKVMCWCW-GFCCVEGCSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+][C@H](CC1CCCC1)CC1CCC1 128544545 573061872 /nfs/dbraw/zinc/06/18/72/573061872.db2.gz CVYSPLQVWJOFIW-CYBMUJFWSA-N 1 0 195.350 3.345 10 0 AGAERO C1CCCCC[C@H]2[NH2+]C[C@H]2CCCC1 85527149 573062304 /nfs/dbraw/zinc/06/23/04/573062304.db2.gz JVKINWYDPBTKGX-CHWSQXEVSA-N 1 0 195.350 3.489 10 0 AGAERO C1CCCCC[C@H]2[NH2+]C[C@@H]2CCCC1 85527142 573062315 /nfs/dbraw/zinc/06/23/15/573062315.db2.gz JVKINWYDPBTKGX-QWHCGFSZSA-N 1 0 195.350 3.489 10 0 AGAERO CCCC[C@H](CCC)[NH2+][C@H]1C[C@H]1C 308244251 573062517 /nfs/dbraw/zinc/06/25/17/573062517.db2.gz UKHINRGGTUXTGL-WOPDTQHZSA-N 1 0 183.339 3.343 10 0 AGAERO C[NH2+][C@@H](CC1CCCC1)CC1CCC1 128544324 573062909 /nfs/dbraw/zinc/06/29/09/573062909.db2.gz CVYSPLQVWJOFIW-ZDUSSCGKSA-N 1 0 195.350 3.345 10 0 AGAERO CCCC[C@H](CCC)[NH2+][C@H]1C[C@@H]1C 308244250 573063576 /nfs/dbraw/zinc/06/35/76/573063576.db2.gz UKHINRGGTUXTGL-SRVKXCTJSA-N 1 0 183.339 3.343 10 0 AGAERO CCC(CC)[N@H+](CC)C1CCCC1 308492476 573063755 /nfs/dbraw/zinc/06/37/55/573063755.db2.gz RTKVQENBLCMGDE-UHFFFAOYSA-N 1 0 183.339 3.440 10 0 AGAERO C1CCCCC[C@@H]2[NH2+]C[C@@H]2CCCC1 85527145 573064487 /nfs/dbraw/zinc/06/44/87/573064487.db2.gz JVKINWYDPBTKGX-STQMWFEESA-N 1 0 195.350 3.489 10 0 AGAERO CC[NH2+][C@H]1C[C@@H](C(C)C)CC[C@@H]1C 238264979 573064893 /nfs/dbraw/zinc/06/48/93/573064893.db2.gz GCAISAKCVHMDJH-SRVKXCTJSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@@H]1CC[C@H]([N@H+](CC)C2CC2)C1 308494052 573065059 /nfs/dbraw/zinc/06/50/59/573065059.db2.gz SLQHDXZNQHRCHB-PWSUYJOCSA-N 1 0 181.323 3.049 10 0 AGAERO CC[NH2+]CC(C)(C)CC(C)(C)CC 224719274 573065550 /nfs/dbraw/zinc/06/55/50/573065550.db2.gz ROFCYIUILVYRFW-UHFFFAOYSA-N 1 0 185.355 3.448 10 0 AGAERO C[C@H]([NH3+])c1ccc(C(C)(C)C)s1 88077719 573065620 /nfs/dbraw/zinc/06/56/20/573065620.db2.gz BCWXCCOOVPHYOZ-ZETCQYMHSA-N 1 0 183.320 3.065 10 0 AGAERO CC(C)(C)C(=[NH2+])Nc1ccsc1 85535981 573065848 /nfs/dbraw/zinc/06/58/48/573065848.db2.gz FSBBJLASUBXMNH-UHFFFAOYSA-N 1 0 182.292 3.183 10 0 AGAERO CCC1([C@H]2C[C@@H]2C[NH2+]C(C)C)CCC1 686134018 573065956 /nfs/dbraw/zinc/06/59/56/573065956.db2.gz SXDJZZWWIIZXGM-NEPJUHHUSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+][C@@H](C=C(C)C)C(C(C)C)C(C)C 308495016 573066052 /nfs/dbraw/zinc/06/60/52/573066052.db2.gz SNAFCFFISMUNIP-LBPRGKRZSA-N 1 0 197.366 3.469 10 0 AGAERO C[C@@H]1CCC[C@H](/C=C2\CC[C@@H]([NH3+])C2)C1 308488562 573066074 /nfs/dbraw/zinc/06/60/74/573066074.db2.gz OLCDYZQJPSFUIS-VHTPYLAGSA-N 1 0 193.334 3.250 10 0 AGAERO CCC(CC)(CC)C[N@H+](C)C1CC1 308245696 573066107 /nfs/dbraw/zinc/06/61/07/573066107.db2.gz VOLKIRHEGAYGNQ-UHFFFAOYSA-N 1 0 183.339 3.297 10 0 AGAERO CCC1([C@H]2C[C@H]2C[NH2+]C(C)C)CCC1 686134026 573066159 /nfs/dbraw/zinc/06/61/59/573066159.db2.gz SXDJZZWWIIZXGM-RYUDHWBXSA-N 1 0 195.350 3.201 10 0 AGAERO C/C=C\CC[NH2+][C@H](CC)CCC 224648137 573066370 /nfs/dbraw/zinc/06/63/70/573066370.db2.gz YVOKXDVWLMSRHW-MEQVVJDKSA-N 1 0 169.312 3.121 10 0 AGAERO CCC[C@H](C)[N@@H+]1C[C@@H](C)C[C@@H]1CC 308246413 573066696 /nfs/dbraw/zinc/06/66/96/573066696.db2.gz WIJGWKACNUIWNP-SRVKXCTJSA-N 1 0 183.339 3.295 10 0 AGAERO C[NH2+][C@H](CC1CCC1)C1(C)CCCC1 128551655 573066930 /nfs/dbraw/zinc/06/69/30/573066930.db2.gz IZHPZVYNIPEVII-GFCCVEGCSA-N 1 0 195.350 3.345 10 0 AGAERO CC[NH2+][C@H]1C[C@H](C)CC[C@H]1C(C)C 238265384 573067011 /nfs/dbraw/zinc/06/70/11/573067011.db2.gz HYHULTVOZRLMIV-WOPDTQHZSA-N 1 0 183.339 3.057 10 0 AGAERO CCCC(CCC)[NH2+]C1(C)CCC1 308246824 573067016 /nfs/dbraw/zinc/06/70/16/573067016.db2.gz WPVXSFBJCHPZRV-UHFFFAOYSA-N 1 0 183.339 3.487 10 0 AGAERO CCC[N@H+](CC)[C@H]1CCC[C@@H](C)C1 308245852 573067095 /nfs/dbraw/zinc/06/70/95/573067095.db2.gz VPASSMKPUNNDDD-NEPJUHHUSA-N 1 0 183.339 3.297 10 0 AGAERO CCCC(CCC)[NH2+]C(C)(C)CF 308246293 573067219 /nfs/dbraw/zinc/06/72/19/573067219.db2.gz WCHCGJDAULQPDT-UHFFFAOYSA-N 1 0 189.318 3.293 10 0 AGAERO CC[NH2+][C@H]1CC[C@H](C(C)(C)C)CC1 238264138 573067230 /nfs/dbraw/zinc/06/72/30/573067230.db2.gz OQNQLWFDIGLWIA-PHIMTYICSA-N 1 0 183.339 3.201 10 0 AGAERO CCCC[C@H](C)[NH2+][C@H]1CC[C@@H](F)C1 308246422 573067776 /nfs/dbraw/zinc/06/77/76/573067776.db2.gz WITHTEZFFAEFSV-AXFHLTTASA-N 1 0 187.302 3.045 10 0 AGAERO CCCC[C@H](C)[NH2+][C@H]1CC[C@H](F)C1 308246423 573067869 /nfs/dbraw/zinc/06/78/69/573067869.db2.gz WITHTEZFFAEFSV-DCAQKATOSA-N 1 0 187.302 3.045 10 0 AGAERO CC(C)c1cc(N)c2sccc2[nH+]1 85535324 573067970 /nfs/dbraw/zinc/06/79/70/573067970.db2.gz LHPYKWOCMOZMFY-UHFFFAOYSA-N 1 0 192.287 3.002 10 0 AGAERO CC[NH2+][C@@H](CC1CCC1)[C@H](C)C(C)C 128558225 573068165 /nfs/dbraw/zinc/06/81/65/573068165.db2.gz BEVHAJPLEQDINM-YPMHNXCESA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@H](CC1CCC1)[C@@H](C)C(C)C 128557992 573068449 /nfs/dbraw/zinc/06/84/49/573068449.db2.gz BEVHAJPLEQDINM-WCQYABFASA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+]C(C)(C)[C@@H]1CC=C(C)CC1 238265877 573068509 /nfs/dbraw/zinc/06/85/09/573068509.db2.gz BSQVMDBRENCGOE-LLVKDONJSA-N 1 0 181.323 3.121 10 0 AGAERO CCC[N@H+](CC)[C@@H]1CCC[C@@H](C)C1 308245855 573068674 /nfs/dbraw/zinc/06/86/74/573068674.db2.gz VPASSMKPUNNDDD-VXGBXAGGSA-N 1 0 183.339 3.297 10 0 AGAERO CCC[C@H](C)[N@@H+]1C[C@@H](C)C[C@H]1CC 308246412 573068718 /nfs/dbraw/zinc/06/87/18/573068718.db2.gz WIJGWKACNUIWNP-SDDRHHMPSA-N 1 0 183.339 3.295 10 0 AGAERO CC[NH2+]C(C)(C)[C@H]1CC=C(C)CC1 238265840 573068758 /nfs/dbraw/zinc/06/87/58/573068758.db2.gz BSQVMDBRENCGOE-NSHDSACASA-N 1 0 181.323 3.121 10 0 AGAERO CCC1([C@@H]2C[C@H]2C[NH2+]C(C)C)CCC1 686134024 573068772 /nfs/dbraw/zinc/06/87/72/573068772.db2.gz SXDJZZWWIIZXGM-NWDGAFQWSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[N@H+](CC)[C@H]1CCC[C@H](C)C1 308245854 573068820 /nfs/dbraw/zinc/06/88/20/573068820.db2.gz VPASSMKPUNNDDD-RYUDHWBXSA-N 1 0 183.339 3.297 10 0 AGAERO CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](F)C1 308246425 573068955 /nfs/dbraw/zinc/06/89/55/573068955.db2.gz WITHTEZFFAEFSV-HBNTYKKESA-N 1 0 187.302 3.045 10 0 AGAERO CCC1([C@@H]2C[C@@H]2C[NH2+]C(C)C)CCC1 686134031 573069326 /nfs/dbraw/zinc/06/93/26/573069326.db2.gz SXDJZZWWIIZXGM-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[N@H+](CC)[C@H](C)c1ccco1 308244948 573069423 /nfs/dbraw/zinc/06/94/23/573069423.db2.gz UXDWNNQATAJVJK-SNVBAGLBSA-N 1 0 181.279 3.073 10 0 AGAERO C[NH2+][C@H](C=C(C)C)C(C(C)C)C(C)C 308495015 573069474 /nfs/dbraw/zinc/06/94/74/573069474.db2.gz SNAFCFFISMUNIP-GFCCVEGCSA-N 1 0 197.366 3.469 10 0 AGAERO C[C@@H]1CCC[C@H](/C=C2\CC[C@H]([NH3+])C2)C1 308488559 573069704 /nfs/dbraw/zinc/06/97/04/573069704.db2.gz OLCDYZQJPSFUIS-KOUSERIFSA-N 1 0 193.334 3.250 10 0 AGAERO C[NH2+][C@@H](CC1CCC1)C1(C)CCCC1 128551902 573070538 /nfs/dbraw/zinc/07/05/38/573070538.db2.gz IZHPZVYNIPEVII-LBPRGKRZSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@H](C)[N@@H+]1C[C@H](C)C[C@H]1CC 308246411 573070010 /nfs/dbraw/zinc/07/00/10/573070010.db2.gz WIJGWKACNUIWNP-GRYCIOLGSA-N 1 0 183.339 3.295 10 0 AGAERO CCC[C@H](C)[N@@H+]1C[C@H](C)C[C@@H]1CC 308246414 573070023 /nfs/dbraw/zinc/07/00/23/573070023.db2.gz WIJGWKACNUIWNP-WOPDTQHZSA-N 1 0 183.339 3.295 10 0 AGAERO CCCC[C@H](C)[NH2+][C@@H]1CC[C@H](F)C1 308246424 573070205 /nfs/dbraw/zinc/07/02/05/573070205.db2.gz WITHTEZFFAEFSV-GARJFASQSA-N 1 0 187.302 3.045 10 0 AGAERO CCC[N@H+](CC)[C@@H]1CCC[C@H](C)C1 308245853 573070250 /nfs/dbraw/zinc/07/02/50/573070250.db2.gz VPASSMKPUNNDDD-NWDGAFQWSA-N 1 0 183.339 3.297 10 0 AGAERO CCC[N@H+](CC)[C@@H](C)c1ccco1 308244947 573070422 /nfs/dbraw/zinc/07/04/22/573070422.db2.gz UXDWNNQATAJVJK-JTQLQIEISA-N 1 0 181.279 3.073 10 0 AGAERO CC[C@H](C[NH2+]Cc1ccco1)C(C)C 308489083 573071064 /nfs/dbraw/zinc/07/10/64/573071064.db2.gz AXTQKSHSNHCIMX-LLVKDONJSA-N 1 0 195.306 3.051 10 0 AGAERO CCNc1cc(C)[nH+]c2ccsc12 85535308 573071074 /nfs/dbraw/zinc/07/10/74/573071074.db2.gz SEZQUPIVTCZJSM-UHFFFAOYSA-N 1 0 192.287 3.037 10 0 AGAERO CCC(C)(CC)[NH2+][C@H](C)C1CCC1 308253664 573071257 /nfs/dbraw/zinc/07/12/57/573071257.db2.gz CPMHIKDICDFZCI-SNVBAGLBSA-N 1 0 183.339 3.343 10 0 AGAERO CC(C)CC[NH2+][C@@H]1CCC[C@H]1C(C)C 308489047 573072807 /nfs/dbraw/zinc/07/28/07/573072807.db2.gz AWIJGADSJHUTIQ-QWHCGFSZSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)C(C)(C)[NH2+][C@H]1CC[C@@H]1C1CC1 308490236 573072882 /nfs/dbraw/zinc/07/28/82/573072882.db2.gz BKAWKSPUWITVEN-NEPJUHHUSA-N 1 0 195.350 3.199 10 0 AGAERO C[NH2+]C/C=C/C1CCC(C(C)C)CC1 308488868 573073024 /nfs/dbraw/zinc/07/30/24/573073024.db2.gz OLPDGCCWAQNYQL-SNAWJCMRSA-N 1 0 195.350 3.224 10 0 AGAERO CC[C@@H](C)[C@H]([NH3+])CC(C)(C)CC 224890072 573073293 /nfs/dbraw/zinc/07/32/93/573073293.db2.gz RFWDVIIZSJTWEV-NXEZZACHSA-N 1 0 171.328 3.186 10 0 AGAERO CC[NH2+][C@H](CC1CC1)c1cccs1 49729948 573073586 /nfs/dbraw/zinc/07/35/86/573073586.db2.gz FBHMAUUJMXNZRM-SNVBAGLBSA-N 1 0 195.331 3.199 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1ccc(F)cc1C 88124171 573073386 /nfs/dbraw/zinc/07/33/86/573073386.db2.gz SKZSWKAMUXZQHP-GFCCVEGCSA-N 1 0 193.265 3.100 10 0 AGAERO C[NH2+][C@@H](CCC(C)(C)C)c1ccc[nH]1 308489415 573073676 /nfs/dbraw/zinc/07/36/76/573073676.db2.gz PYGXTKYYXQMSER-JTQLQIEISA-N 1 0 194.322 3.102 10 0 AGAERO CC(C)CC[NH2+][C@H]1CCC[C@H]1C(C)C 308489048 573073714 /nfs/dbraw/zinc/07/37/14/573073714.db2.gz AWIJGADSJHUTIQ-STQMWFEESA-N 1 0 197.366 3.447 10 0 AGAERO C[NH2+][C@H](CC1CC1)c1ccc(C)cc1 49729587 573074085 /nfs/dbraw/zinc/07/40/85/573074085.db2.gz LMHSTIPEDFIAJX-CYBMUJFWSA-N 1 0 189.302 3.056 10 0 AGAERO CCC(CC)CCc1c[nH+]ccc1N 128570302 573074150 /nfs/dbraw/zinc/07/41/50/573074150.db2.gz MLYTYGAGTFSGHE-UHFFFAOYSA-N 1 0 192.306 3.033 10 0 AGAERO CC(C)C(C)(C)[NH2+][C@@H]1CC[C@H]1C1CC1 308490239 573075029 /nfs/dbraw/zinc/07/50/29/573075029.db2.gz BKAWKSPUWITVEN-NWDGAFQWSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1C[C@H]1C 88131709 573075031 /nfs/dbraw/zinc/07/50/31/573075031.db2.gz GNCZOEIKKXKPHI-WRWGMCAJSA-N 1 0 195.350 3.199 10 0 AGAERO C/C(=C\C1CCC(C(C)C)CC1)C[NH3+] 308490319 573074335 /nfs/dbraw/zinc/07/43/35/573074335.db2.gz PPJZFHLUBZBRKT-DHZHZOJOSA-N 1 0 195.350 3.354 10 0 AGAERO CC(C)C(C)(C)[NH2+][C@H]1CC[C@H]1C1CC1 308490242 573074418 /nfs/dbraw/zinc/07/44/18/573074418.db2.gz BKAWKSPUWITVEN-RYUDHWBXSA-N 1 0 195.350 3.199 10 0 AGAERO CC[C@@H](C[NH2+]Cc1ccco1)C(C)C 308489084 573074640 /nfs/dbraw/zinc/07/46/40/573074640.db2.gz AXTQKSHSNHCIMX-NSHDSACASA-N 1 0 195.306 3.051 10 0 AGAERO CC[C@@H](C)[NH2+]C(C)(C)CC(F)(F)F 308247257 573074948 /nfs/dbraw/zinc/07/49/48/573074948.db2.gz XHSCGLYLRDDOJD-SSDOTTSWSA-N 1 0 197.244 3.106 10 0 AGAERO CC(C)C([NH2+]CC[C@H](C)F)C(C)C 308250569 573075012 /nfs/dbraw/zinc/07/50/12/573075012.db2.gz HFNCXRWFALFEHQ-JTQLQIEISA-N 1 0 189.318 3.005 10 0 AGAERO C[NH2+][C@@H](CC1CC1)c1ccc(C)cc1 49729589 573075229 /nfs/dbraw/zinc/07/52/29/573075229.db2.gz LMHSTIPEDFIAJX-ZDUSSCGKSA-N 1 0 189.302 3.056 10 0 AGAERO CCC/C(C)=C\CC[NH2+]C(C)C 211871324 573075474 /nfs/dbraw/zinc/07/54/74/573075474.db2.gz RFUBHJRLEUWMJR-FLIBITNWSA-N 1 0 169.312 3.121 10 0 AGAERO CC(C)C([NH2+]CC[C@@H](C)F)C(C)C 308250573 573075712 /nfs/dbraw/zinc/07/57/12/573075712.db2.gz HFNCXRWFALFEHQ-SNVBAGLBSA-N 1 0 189.318 3.005 10 0 AGAERO CC(C)CC[NH2+][C@@H]1CCC[C@@H]1C(C)C 308489045 573075954 /nfs/dbraw/zinc/07/59/54/573075954.db2.gz AWIJGADSJHUTIQ-CHWSQXEVSA-N 1 0 197.366 3.447 10 0 AGAERO CCc1ccc([C@H]([NH3+])CC2CC2)cc1 49729306 573075966 /nfs/dbraw/zinc/07/59/66/573075966.db2.gz BNPQLQGYKWGDCB-CYBMUJFWSA-N 1 0 189.302 3.049 10 0 AGAERO CCC(CC)CCc1cc[nH+]c(N)c1 128570771 573075976 /nfs/dbraw/zinc/07/59/76/573075976.db2.gz QBKFJDZWXOWCNG-UHFFFAOYSA-N 1 0 192.306 3.033 10 0 AGAERO CCCC1([C@H]2[NH2+]CCCS2)CCC1 686127423 573076053 /nfs/dbraw/zinc/07/60/53/573076053.db2.gz CSZFIXWAIBABBW-JTQLQIEISA-N 1 0 199.363 3.009 10 0 AGAERO C[C@H]1CC[C@H]([NH2+]C2CCCCC2)CC1 114404448 573076067 /nfs/dbraw/zinc/07/60/67/573076067.db2.gz DDKRRVVHQZKQCU-BJHJDKERSA-N 1 0 195.350 3.487 10 0 AGAERO CCC(CC)C[C@H]1C[C@@H](C)CC[NH2+]1 128566524 573076072 /nfs/dbraw/zinc/07/60/72/573076072.db2.gz BFQCGPKMIXASPN-CMPLNLGQSA-N 1 0 183.339 3.201 10 0 AGAERO CCc1ccc([C@@H]([NH3+])CC2CC2)cc1 49729308 573076127 /nfs/dbraw/zinc/07/61/27/573076127.db2.gz BNPQLQGYKWGDCB-ZDUSSCGKSA-N 1 0 189.302 3.049 10 0 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AQHLNKPILARLTF-NDBYEHHHSA-N 1 0 197.366 3.303 10 0 AGAERO CC(C)C[C@@H]1CC[C@@H]([NH2+]CC2CC2)C1 308502114 573103930 /nfs/dbraw/zinc/10/39/30/573103930.db2.gz HCMNFHZSNRWZFJ-QWHCGFSZSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@H]([NH3+])[C@H]1CCCC[C@@H]1C(C)(C)C 85659126 573103936 /nfs/dbraw/zinc/10/39/36/573103936.db2.gz BKKFRUKCVSZFGP-AXFHLTTASA-N 1 0 183.339 3.186 10 0 AGAERO C[C@H]([NH3+])[C@@H]1CCCC[C@@H]1C(C)(C)C 85659123 573104055 /nfs/dbraw/zinc/10/40/55/573104055.db2.gz BKKFRUKCVSZFGP-DCAQKATOSA-N 1 0 183.339 3.186 10 0 AGAERO C[NH2+][C@H](C)[C@@H]1CCC[C@@H](C(C)C)CC1 85660280 573104167 /nfs/dbraw/zinc/10/41/67/573104167.db2.gz GYKASOAXYZMMBT-JHJVBQTASA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)[C@@H]1CCC[C@H]([C@@H](C)[NH3+])CC1 85659262 573104199 /nfs/dbraw/zinc/10/41/99/573104199.db2.gz DIWDRHMATDUFCE-UTUOFQBUSA-N 1 0 183.339 3.186 10 0 AGAERO CCC1([C@H]2[NH2+]CC23CCCC3)CCC1 686130923 573104278 /nfs/dbraw/zinc/10/42/78/573104278.db2.gz MGOGHNUGRZQDDH-LLVKDONJSA-N 1 0 193.334 3.099 10 0 AGAERO CC[C@]1(C)[C@@H]([NH2+]C)C[C@@H]1C(C)(C)C 88182714 573104298 /nfs/dbraw/zinc/10/42/98/573104298.db2.gz AHGQXZVHMAQKQO-SCVCMEIPSA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+][C@H](C)[C@H](C)c1ccc(C)c(C)c1 85659685 573104388 /nfs/dbraw/zinc/10/43/88/573104388.db2.gz PXTDGLRVZBCJQL-NWDGAFQWSA-N 1 0 191.318 3.015 10 0 AGAERO C[NH2+][C@H](C)[C@@H]1C[C@@H](C)CC(C)(C)C1 85660625 573104398 /nfs/dbraw/zinc/10/43/98/573104398.db2.gz HOWRWAZAOSWVFT-GMTAPVOTSA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+][C@@H](C)[C@@H](C)c1cc(C)ccc1C 85660040 573104457 /nfs/dbraw/zinc/10/44/57/573104457.db2.gz CNDJGAAJZMMMOK-NEPJUHHUSA-N 1 0 191.318 3.015 10 0 AGAERO CC(C)[C@@H]1CCC[C@@H]([C@@H](C)[NH3+])CC1 85659266 573104525 /nfs/dbraw/zinc/10/45/25/573104525.db2.gz DIWDRHMATDUFCE-IJLUTSLNSA-N 1 0 183.339 3.186 10 0 AGAERO C[NH2+][C@@H](C)[C@H]1CCCC(C)(C)CC1 85659904 573104555 /nfs/dbraw/zinc/10/45/55/573104555.db2.gz DRVADBNRLUGOKF-QWRGUYRKSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C(C)(C)C 85660013 573104660 /nfs/dbraw/zinc/10/46/60/573104660.db2.gz JSXMHIVBVAUPNO-UTUOFQBUSA-N 1 0 197.366 3.447 10 0 AGAERO C[NH2+][C@@H](C)[C@@H](C)c1ccc(C)c(C)c1 85659694 573104684 /nfs/dbraw/zinc/10/46/84/573104684.db2.gz PXTDGLRVZBCJQL-NEPJUHHUSA-N 1 0 191.318 3.015 10 0 AGAERO C[NH2+][C@H](C)[C@H](C)c1ccccc1Cl 85660123 573104743 /nfs/dbraw/zinc/10/47/43/573104743.db2.gz PTHHPGJDWZSPQP-DTWKUNHWSA-N 1 0 197.709 3.051 10 0 AGAERO C[NH2+][C@@H](C)[C@@H](C)c1ccc(C)cc1C 85660109 573104788 /nfs/dbraw/zinc/10/47/88/573104788.db2.gz YGYOQXCNJLRORL-NEPJUHHUSA-N 1 0 191.318 3.015 10 0 AGAERO C[NH2+][C@H](C)[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 85660113 573104816 /nfs/dbraw/zinc/10/48/16/573104816.db2.gz AQHLNKPILARLTF-LOWDOPEQSA-N 1 0 197.366 3.303 10 0 AGAERO CC[NH2+][C@H](C)C1[C@@H](C)CCC[C@@H]1C 85661567 573104824 /nfs/dbraw/zinc/10/48/24/573104824.db2.gz GLKHFCPCRYCLPV-GARJFASQSA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+][C@H](C)[C@H]1C[C@@H](C)CC(C)(C)C1 85660622 573104848 /nfs/dbraw/zinc/10/48/48/573104848.db2.gz HOWRWAZAOSWVFT-MXWKQRLJSA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+][C@H](C)[C@@H](C)c1ccccc1Cl 85660121 573104875 /nfs/dbraw/zinc/10/48/75/573104875.db2.gz PTHHPGJDWZSPQP-RKDXNWHRSA-N 1 0 197.709 3.051 10 0 AGAERO C[NH2+][C@H](C)[C@H]1CCCC(C)(C)CC1 85659908 573104910 /nfs/dbraw/zinc/10/49/10/573104910.db2.gz DRVADBNRLUGOKF-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@@H](C)[C@@H]1CCCC(C)(C)C1 85661542 573104926 /nfs/dbraw/zinc/10/49/26/573104926.db2.gz JDWUUCRYZHHDLH-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@@H](C[NH3+])[C@H](F)CCCC(C)(C)C 308260712 573104999 /nfs/dbraw/zinc/10/49/99/573104999.db2.gz MFTGMIBAESJQIA-VHSXEESVSA-N 1 0 189.318 3.136 10 0 AGAERO CC[NH2+][C@@H](C1CC1)C(C)(C)C(C)(C)C 393657453 573105029 /nfs/dbraw/zinc/10/50/29/573105029.db2.gz KQEPWVHZFWNECU-NSHDSACASA-N 1 0 197.366 3.447 10 0 AGAERO C[NH2+][C@H](C)[C@H]1C[C@H](C)CC(C)(C)C1 85660624 573105625 /nfs/dbraw/zinc/10/56/25/573105625.db2.gz HOWRWAZAOSWVFT-AXFHLTTASA-N 1 0 183.339 3.057 10 0 AGAERO Cc1cc(C)c([C@@H](C)[C@H](C)[NH3+])c(C)c1 85659236 573105110 /nfs/dbraw/zinc/10/51/10/573105110.db2.gz CUXYQBVLRAZJLA-RYUDHWBXSA-N 1 0 191.318 3.063 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])c1cccc(Cl)c1 82570134 573105150 /nfs/dbraw/zinc/10/51/50/573105150.db2.gz PBQZZPXEYMJGHS-KWQFWETISA-N 1 0 197.709 3.386 10 0 AGAERO CCC1([C@@H]2[NH2+]CC23CCCC3)CCC1 686130924 573105175 /nfs/dbraw/zinc/10/51/75/573105175.db2.gz MGOGHNUGRZQDDH-NSHDSACASA-N 1 0 193.334 3.099 10 0 AGAERO CC[NH2+][C@H]1C[C@@H](C(C)(C)C)C1(C)C 88182514 573105062 /nfs/dbraw/zinc/10/50/62/573105062.db2.gz XTEJPLMZINAQOJ-UWVGGRQHSA-N 1 0 183.339 3.057 10 0 AGAERO CC(C)c1ccc([C@@H](C)[C@H](C)[NH3+])cc1 85659457 573105212 /nfs/dbraw/zinc/10/52/12/573105212.db2.gz RJJHDDGCZZWPDY-QWRGUYRKSA-N 1 0 191.318 3.261 10 0 AGAERO CC[C@@H](c1cccc(Cl)c1)[C@H](C)[NH3+] 85659135 573105228 /nfs/dbraw/zinc/10/52/28/573105228.db2.gz BMHSHZCGCDEQFJ-GZMMTYOYSA-N 1 0 197.709 3.181 10 0 AGAERO CC(C)c1ccc([C@H](C)[C@H](C)[NH3+])cc1 85659460 573105281 /nfs/dbraw/zinc/10/52/81/573105281.db2.gz RJJHDDGCZZWPDY-MNOVXSKESA-N 1 0 191.318 3.261 10 0 AGAERO CC[NH2+][C@H](C)[C@H]1C[C@H](C)CC(C)(C)C1 85661635 573105297 /nfs/dbraw/zinc/10/52/97/573105297.db2.gz FULHWZQYXXHECD-TUAOUCFPSA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@@H](C)C1CCCCCCC1 85661415 573105301 /nfs/dbraw/zinc/10/53/01/573105301.db2.gz ZFQUQSXOZQBNRB-NSHDSACASA-N 1 0 183.339 3.345 10 0 AGAERO CC[C@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] 85659134 573105362 /nfs/dbraw/zinc/10/53/62/573105362.db2.gz BMHSHZCGCDEQFJ-KCJUWKMLSA-N 1 0 197.709 3.181 10 0 AGAERO C[NH2+][C@H](C)[C@@H]1C[C@H](C)CC(C)(C)C1 85660627 573105370 /nfs/dbraw/zinc/10/53/70/573105370.db2.gz HOWRWAZAOSWVFT-HBNTYKKESA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+][C@H](C)[C@H]1CCC[C@@H](C(C)C)CC1 85660272 573105646 /nfs/dbraw/zinc/10/56/46/573105646.db2.gz GYKASOAXYZMMBT-UPJWGTAASA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)[C@H](C)[NH2+][C@H]1CC[C@H](C2CC2)C1 308495733 573105462 /nfs/dbraw/zinc/10/54/62/573105462.db2.gz AATGZXCOBKIKNJ-DRZSPHRISA-N 1 0 195.350 3.199 10 0 AGAERO CC[NH2+][C@H](C)[C@@H]1CCC[C@H](C)[C@@H]1C 85661586 573105502 /nfs/dbraw/zinc/10/55/02/573105502.db2.gz SHPFHELUPNBHHS-NNYUYHANSA-N 1 0 183.339 3.057 10 0 AGAERO CC[NH2+][C@H]1C[C@H](C(C)(C)C)C1(C)C 88182512 573105564 /nfs/dbraw/zinc/10/55/64/573105564.db2.gz XTEJPLMZINAQOJ-ZJUUUORDSA-N 1 0 183.339 3.057 10 0 AGAERO CC[NH2+][C@H]1[C@H]2CCCC[C@@H]2[C@@]1(C)CC 88186407 573106748 /nfs/dbraw/zinc/10/67/48/573106748.db2.gz OBDRZKPRKRNJAY-ZDEQEGDKSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H]1[C@@H]([NH2+]C[C@]2(C)C[C@H]2C)CC[C@H]1C 714628841 573106802 /nfs/dbraw/zinc/10/68/02/573106802.db2.gz CGXLJQKGQUXJFC-BNDIWNMDSA-N 1 0 195.350 3.057 10 0 AGAERO CCC1(CC)[C@H]([NH3+])C[C@@H]1C(C)(C)C 88180986 573106138 /nfs/dbraw/zinc/10/61/38/573106138.db2.gz PFDQPYGXYNVVGX-NXEZZACHSA-N 1 0 183.339 3.186 10 0 AGAERO CCC1(CC)[C@@H]([NH3+])C[C@H]1C(C)(C)C 88180983 573106164 /nfs/dbraw/zinc/10/61/64/573106164.db2.gz PFDQPYGXYNVVGX-UWVGGRQHSA-N 1 0 183.339 3.186 10 0 AGAERO CC[NH2+][C@H](C1CC1)C(C)(C)C(C)(C)C 393657450 573106184 /nfs/dbraw/zinc/10/61/84/573106184.db2.gz KQEPWVHZFWNECU-LLVKDONJSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)[C@@H]([NH3+])C/C=C/c1ccccc1 308262468 573107061 /nfs/dbraw/zinc/10/70/61/573107061.db2.gz NPQDQFOVBAXTAD-PPGNKHEKSA-N 1 0 189.302 3.073 10 0 AGAERO CC(C)CC[N@H+](C)[C@H]1CCC[C@H]1C 308263450 573107097 /nfs/dbraw/zinc/10/70/97/573107097.db2.gz OKWALIVEMGTTLJ-NEPJUHHUSA-N 1 0 183.339 3.153 10 0 AGAERO CCC1(CC)[C@@H]([NH2+]C)[C@H]2CCCC[C@H]21 88186472 573107477 /nfs/dbraw/zinc/10/74/77/573107477.db2.gz LFEMELICRRBCIF-TUAOUCFPSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H]1[C@@H]([NH2+]C[C@]2(C)C[C@@H]2C)CC[C@H]1C 714628876 573107574 /nfs/dbraw/zinc/10/75/74/573107574.db2.gz CGXLJQKGQUXJFC-MOLYVOAJSA-N 1 0 195.350 3.057 10 0 AGAERO CCC1([C@@H](CC2CC2)[NH2+]C)CCCC1 128692690 573107663 /nfs/dbraw/zinc/10/76/63/573107663.db2.gz JKOJHCCPQRNTIZ-GFCCVEGCSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@H](C)[C@@H](CC1CC1)[NH2+]CC 128714617 573108206 /nfs/dbraw/zinc/10/82/06/573108206.db2.gz NLKJRYFQDSAUHZ-CMPLNLGQSA-N 1 0 183.339 3.201 10 0 AGAERO CCCCCC(N)=CC1=[NH+]CCCC1 308263598 573108363 /nfs/dbraw/zinc/10/83/63/573108363.db2.gz QPJKYSGJYAOXEN-YCVWGAIGSA-N 1 0 194.322 3.244 10 0 AGAERO C[NH2+]C[C@@H]1CCC[C@@H]1[C@@H](C)CC(C)C 308496220 573108402 /nfs/dbraw/zinc/10/84/02/573108402.db2.gz SVXGKFJBAZFKGA-RWMBFGLXSA-N 1 0 197.366 3.304 10 0 AGAERO C[C@H]1C[NH2+]C[C@@H](CC2CCCCC2)C1 235704213 573108667 /nfs/dbraw/zinc/10/86/67/573108667.db2.gz HMVDTKMCHKPRHU-DGCLKSJQSA-N 1 0 195.350 3.202 10 0 AGAERO CCC1([C@@H]([NH3+])CC2CC2)CCCC1 128693350 573108674 /nfs/dbraw/zinc/10/86/74/573108674.db2.gz IZYBNWUIDACLFI-NSHDSACASA-N 1 0 181.323 3.084 10 0 AGAERO C[NH2+]C[C@@H]1CCC[C@H]1[C@H](C)CC(C)C 308496217 573108719 /nfs/dbraw/zinc/10/87/19/573108719.db2.gz SVXGKFJBAZFKGA-AGIUHOORSA-N 1 0 197.366 3.304 10 0 AGAERO CC(C)CC[N@H+](C)[C@@H]1CCC[C@@H]1C 308263451 573108789 /nfs/dbraw/zinc/10/87/89/573108789.db2.gz OKWALIVEMGTTLJ-NWDGAFQWSA-N 1 0 183.339 3.153 10 0 AGAERO CC(C)CC[N@H+](C)[C@H]1CCC[C@@H]1C 308263452 573109259 /nfs/dbraw/zinc/10/92/59/573109259.db2.gz OKWALIVEMGTTLJ-RYUDHWBXSA-N 1 0 183.339 3.153 10 0 AGAERO C[NH2+][C@@H](CC1CC1)C[C@H](C)C(C)(C)C 128717558 573108995 /nfs/dbraw/zinc/10/89/95/573108995.db2.gz ZYVGWXRXKPWFNY-CMPLNLGQSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)[C@H]([NH3+])C/C=C/c1ccccc1 308262471 573109068 /nfs/dbraw/zinc/10/90/68/573109068.db2.gz NPQDQFOVBAXTAD-YSKGHYERSA-N 1 0 189.302 3.073 10 0 AGAERO [NH3+][C@@H](CCC1CCCC1)CC1CC1 128704021 573109195 /nfs/dbraw/zinc/10/91/95/573109195.db2.gz HNUAEOHZKYITGU-LBPRGKRZSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@@]1(C)[C@@H]([NH2+]C)[C@H]2CCCCC[C@H]21 88186378 573109698 /nfs/dbraw/zinc/10/96/98/573109698.db2.gz KZIDEYIXNDVSJG-QNWHQSFQSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)CC[N@H+](C)[C@@H]1CCC[C@H]1C 308263453 573109823 /nfs/dbraw/zinc/10/98/23/573109823.db2.gz OKWALIVEMGTTLJ-VXGBXAGGSA-N 1 0 183.339 3.153 10 0 AGAERO CC(C)CCCC[NH2+]C1CCCC1 77270869 573109925 /nfs/dbraw/zinc/10/99/25/573109925.db2.gz YMSDLQSJHOOTHB-UHFFFAOYSA-N 1 0 183.339 3.345 10 0 AGAERO CCC1([C@H](CC2CC2)[NH2+]C)CCCC1 128692878 573110044 /nfs/dbraw/zinc/11/00/44/573110044.db2.gz JKOJHCCPQRNTIZ-LBPRGKRZSA-N 1 0 195.350 3.345 10 0 AGAERO C[NH2+]C[C@@H]1CCC[C@H]1[C@@H](C)CC(C)C 308496218 573110047 /nfs/dbraw/zinc/11/00/47/573110047.db2.gz SVXGKFJBAZFKGA-AVGNSLFASA-N 1 0 197.366 3.304 10 0 AGAERO CCC[NH2+][C@@H]1[C@@H]2CCCC[C@@H]2C1(C)C 88186301 573110078 /nfs/dbraw/zinc/11/00/78/573110078.db2.gz VBSCLYPFAVFNNS-GRYCIOLGSA-N 1 0 195.350 3.201 10 0 AGAERO CC[NH2+][C@@H](CC1CC1)c1coc(C)c1 128694983 573110126 /nfs/dbraw/zinc/11/01/26/573110126.db2.gz ZVXNUANUTMNSFO-LBPRGKRZSA-N 1 0 193.290 3.039 10 0 AGAERO CC[C@@H]1[C@@H]2CCCCCC[C@@H]2[C@@H]1[NH2+]C 88185637 573110239 /nfs/dbraw/zinc/11/02/39/573110239.db2.gz AEDCHRADACRQIB-MROQNXINSA-N 1 0 195.350 3.201 10 0 AGAERO C/C(=C\[NH2+]C(C)(C)C)c1ccccc1 308262318 573110354 /nfs/dbraw/zinc/11/03/54/573110354.db2.gz NJESAKHRXVIXMT-ZHACJKMWSA-N 1 0 189.302 3.436 10 0 AGAERO C/C=C\CCC[NH2+]Cc1ccccc1 308264106 573110454 /nfs/dbraw/zinc/11/04/54/573110454.db2.gz RSWICVNILJHLIK-IHWYPQMZSA-N 1 0 189.302 3.133 10 0 AGAERO CCC[C@@H](C)[C@@H](CC1CC1)[NH2+]CC 128714414 573111001 /nfs/dbraw/zinc/11/10/01/573111001.db2.gz NLKJRYFQDSAUHZ-ZYHUDNBSSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]2C)[C@@H]1C 714628862 573110614 /nfs/dbraw/zinc/11/06/14/573110614.db2.gz CGXLJQKGQUXJFC-KVSVUVNWSA-N 1 0 195.350 3.057 10 0 AGAERO CCC1([C@H]([NH3+])CC2CC2)CCCC1 128693127 573110757 /nfs/dbraw/zinc/11/07/57/573110757.db2.gz IZYBNWUIDACLFI-LLVKDONJSA-N 1 0 181.323 3.084 10 0 AGAERO CCC[C@H](C)[C@H](CC1CC1)[NH2+]CC 128715052 573110989 /nfs/dbraw/zinc/11/09/89/573110989.db2.gz NLKJRYFQDSAUHZ-JQWIXIFHSA-N 1 0 183.339 3.201 10 0 AGAERO CCCC1(C[NH3+])CCC(C)(C)CC1 77270864 573110917 /nfs/dbraw/zinc/11/09/17/573110917.db2.gz HWTMKZPNXXNDMD-UHFFFAOYSA-N 1 0 183.339 3.332 10 0 AGAERO CCC1(CC)[C@@H]([NH2+]C)[C@@H]2CCCC[C@H]21 88186476 573111429 /nfs/dbraw/zinc/11/14/29/573111429.db2.gz LFEMELICRRBCIF-UTUOFQBUSA-N 1 0 195.350 3.201 10 0 AGAERO C/C(=C\C1(C)CCC1)C[NH2+]CC(C)C 686130932 573111487 /nfs/dbraw/zinc/11/14/87/573111487.db2.gz MNKWOGPPKXEJFD-XYOKQWHBSA-N 1 0 195.350 3.369 10 0 AGAERO CC(C)CC1(C[NH3+])CCC(C)CC1 77270858 573111496 /nfs/dbraw/zinc/11/14/96/573111496.db2.gz RMXBGNJWTIYJOW-UHFFFAOYSA-N 1 0 183.339 3.188 10 0 AGAERO C[C@H]1C[C@@]1(C)C[NH2+][C@H]1CC[C@@H](C)[C@H]1C 714628858 573111607 /nfs/dbraw/zinc/11/16/07/573111607.db2.gz CGXLJQKGQUXJFC-FHUSYTEZSA-N 1 0 195.350 3.057 10 0 AGAERO CCCC(CCC)[C@@H]([NH3+])CC1CC1 128711432 573111727 /nfs/dbraw/zinc/11/17/27/573111727.db2.gz MVBCNSARQXODPB-LBPRGKRZSA-N 1 0 183.339 3.330 10 0 AGAERO CC[NH2+][C@H]1[C@@H]2CCCCC[C@@H]2C1(C)C 88186277 573111903 /nfs/dbraw/zinc/11/19/03/573111903.db2.gz CZFCYUXOMQABHZ-WOPDTQHZSA-N 1 0 195.350 3.201 10 0 AGAERO CC[NH2+][C@H](CC1CC1)c1coc(C)c1 128695178 573112281 /nfs/dbraw/zinc/11/22/81/573112281.db2.gz ZVXNUANUTMNSFO-GFCCVEGCSA-N 1 0 193.290 3.039 10 0 AGAERO C[NH2+][C@@H](CC1CC1)C1C(C)(C)C1(C)C 128689672 573112751 /nfs/dbraw/zinc/11/27/51/573112751.db2.gz MDXYPSYIVGZOHS-JTQLQIEISA-N 1 0 195.350 3.057 10 0 AGAERO C[C@H](F)c1cccc(C2([NH3+])CCC2)c1 257953999 573113378 /nfs/dbraw/zinc/11/33/78/573113378.db2.gz BHFDSUTXIMJWLP-VIFPVBQESA-N 1 0 193.265 3.055 10 0 AGAERO C[C@@H](F)c1cccc(C2([NH3+])CCC2)c1 257953997 573113398 /nfs/dbraw/zinc/11/33/98/573113398.db2.gz BHFDSUTXIMJWLP-SECBINFHSA-N 1 0 193.265 3.055 10 0 AGAERO CC[C@H](C[NH2+][C@@H](C)CC)CC(F)F 688733839 573113921 /nfs/dbraw/zinc/11/39/21/573113921.db2.gz GZTXJQIDLKDDKU-IUCAKERBSA-N 1 0 193.281 3.056 10 0 AGAERO CCC[NH2+][C@H](CC1CC1)[C@H](C)C1CC1 128735193 573113929 /nfs/dbraw/zinc/11/39/29/573113929.db2.gz QKFMTUYFNBTFPO-ZWNOBZJWSA-N 1 0 195.350 3.201 10 0 AGAERO 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183.339 3.201 10 0 AGAERO CC[C@]1([C@H]2CCC[C@H](C)C2)CCC[NH2+]1 85699733 573119779 /nfs/dbraw/zinc/11/97/79/573119779.db2.gz QOTRUXFWFBEKEF-RWMBFGLXSA-N 1 0 195.350 3.345 10 0 AGAERO Cc1cc(Cl)cc(/C=C\[C@@H](C)[NH3+])c1 395084236 573119838 /nfs/dbraw/zinc/11/98/38/573119838.db2.gz QOJGVDHGPFMNSZ-ZBJFTSOASA-N 1 0 195.693 3.009 10 0 AGAERO CCC[C@]1(c2ccccc2)CCC[NH2+]1 85700473 573119941 /nfs/dbraw/zinc/11/99/41/573119941.db2.gz PHNTVPUQTJMHEF-CYBMUJFWSA-N 1 0 189.302 3.065 10 0 AGAERO CCC[C@]1(c2ccsc2)CCC[NH2+]1 85699948 573119978 /nfs/dbraw/zinc/11/99/78/573119978.db2.gz TWGZJBLZAQOWBH-LLVKDONJSA-N 1 0 195.331 3.127 10 0 AGAERO CCC[C@@]1(C2CCCC2)CCC[NH2+]1 85700354 573120249 /nfs/dbraw/zinc/12/02/49/573120249.db2.gz JJZLDALNASHJLV-LBPRGKRZSA-N 1 0 181.323 3.099 10 0 AGAERO Cc1cc(Cl)cc(/C=C\[C@H](C)[NH3+])c1 395084233 573120479 /nfs/dbraw/zinc/12/04/79/573120479.db2.gz QOJGVDHGPFMNSZ-TYRPZCRBSA-N 1 0 195.693 3.009 10 0 AGAERO CC(C)C[C@]1(C2CCCC2)CCC[NH2+]1 85702995 573120460 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0 AGAERO CC1(/C=C\C[NH2+]C(C)(C)C)CCC1 686134646 573121995 /nfs/dbraw/zinc/12/19/95/573121995.db2.gz WBXCYWNIDGRMMN-TWGQIWQCSA-N 1 0 181.323 3.121 10 0 AGAERO CC1(C)C([C@H]([NH3+])C2=CCCC2)C1(C)C 85709680 573122170 /nfs/dbraw/zinc/12/21/70/573122170.db2.gz YHZYZMPGAWUGDZ-SNVBAGLBSA-N 1 0 193.334 3.106 10 0 AGAERO C1CCC([C@]2(C3CC3)CCC[NH2+]2)CC1 85700847 573122229 /nfs/dbraw/zinc/12/22/29/573122229.db2.gz BOSZZNHFGVKOOL-ZDUSSCGKSA-N 1 0 193.334 3.099 10 0 AGAERO CC(C)[C@@]1(C2CCCCC2)CCC[NH2+]1 85701708 573122239 /nfs/dbraw/zinc/12/22/39/573122239.db2.gz HAZJUMBGTLLZET-CYBMUJFWSA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)[C@@]1(CC2CCCC2)CCC[NH2+]1 85701477 573122507 /nfs/dbraw/zinc/12/25/07/573122507.db2.gz HTEITONUTBAZCH-ZDUSSCGKSA-N 1 0 195.350 3.345 10 0 AGAERO CC1CCC(C[C@@H]([NH3+])CC2CC2)CC1 393658044 573122909 /nfs/dbraw/zinc/12/29/09/573122909.db2.gz MBBUJQKXEGZPIQ-GCZXYKMCSA-N 1 0 195.350 3.330 10 0 AGAERO CCC[C@]1(C2CCCC2)CCC[NH2+]1 85700352 573123091 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195.350 3.057 10 0 AGAERO C[C@H]1C[C@@]1(C)C[NH2+]C1C(C)(C)C1(C)C 714635673 573138252 /nfs/dbraw/zinc/13/82/52/573138252.db2.gz SSIPOTZDPOGGON-ZANVPECISA-N 1 0 195.350 3.057 10 0 AGAERO CCC[C@@H]([NH3+])c1cc(C)c(C)s1 104662355 573139269 /nfs/dbraw/zinc/13/92/69/573139269.db2.gz RCIHSNGTVKOMLT-SECBINFHSA-N 1 0 183.320 3.165 10 0 AGAERO C/C(=C\[C@H](C)C(C)C)C[NH2+]CC(C)C 308507608 573139311 /nfs/dbraw/zinc/13/93/11/573139311.db2.gz GSQHPIYARMPHOI-WHGQRRHOSA-N 1 0 197.366 3.470 10 0 AGAERO CCC(CC)[C@@H]([NH3+])c1cc(C)oc1C 49849446 573139336 /nfs/dbraw/zinc/13/93/36/573139336.db2.gz QSLJXOVAMHEQKF-GFCCVEGCSA-N 1 0 195.306 3.332 10 0 AGAERO CC(C)C[NH2+]CC/C=C\C(C)(C)C 211886806 573139708 /nfs/dbraw/zinc/13/97/08/573139708.db2.gz VIBGJXWAIRQSMG-VURMDHGXSA-N 1 0 183.339 3.224 10 0 AGAERO C/C(=C/[C@H](C)C(C)C)C[NH2+]CC(C)C 308507607 573139864 /nfs/dbraw/zinc/13/98/64/573139864.db2.gz GSQHPIYARMPHOI-OTAKNEKHSA-N 1 0 197.366 3.470 10 0 AGAERO CC[C@H]([NH3+])c1cc(C(C)C)c(C)o1 114903743 573140083 /nfs/dbraw/zinc/14/00/83/573140083.db2.gz KXWWRDHKXRRUNF-JTQLQIEISA-N 1 0 181.279 3.121 10 0 AGAERO CC[NH2+][C@H](C)[C@H]1CC[C@@H](C)[C@@H](C)C1 221201519 573140055 /nfs/dbraw/zinc/14/00/55/573140055.db2.gz HGUQDTXARDACAL-KXNHARMFSA-N 1 0 183.339 3.057 10 0 AGAERO CCC(CC)CC1(CC(C)C)C[NH2+]C1 128912016 573140298 /nfs/dbraw/zinc/14/02/98/573140298.db2.gz UBGKBLTZYCDUHM-UHFFFAOYSA-N 1 0 197.366 3.448 10 0 AGAERO CCC(CC)[C@H]([NH3+])c1cc(C)oc1C 49849444 573140317 /nfs/dbraw/zinc/14/03/17/573140317.db2.gz QSLJXOVAMHEQKF-LBPRGKRZSA-N 1 0 195.306 3.332 10 0 AGAERO CCCCC[C@H]([NH3+])c1cc(C)oc1C 49849484 573140622 /nfs/dbraw/zinc/14/06/22/573140622.db2.gz WBVAHJDNRRETLJ-LBPRGKRZSA-N 1 0 195.306 3.477 10 0 AGAERO Cc1cc([C@@H]([NH3+])C(C)C)sc1C 104662352 573140787 /nfs/dbraw/zinc/14/07/87/573140787.db2.gz KLQKSKPYVRINJS-JTQLQIEISA-N 1 0 183.320 3.021 10 0 AGAERO CC(C)CC[N@H+](C)[C@H]1CC[C@H](C)C1 308281728 573141168 /nfs/dbraw/zinc/14/11/68/573141168.db2.gz XEOAAAPMYYDAFP-RYUDHWBXSA-N 1 0 183.339 3.153 10 0 AGAERO CC[C@@H](C)C[NH2+]Cc1cc(C)oc1C 128946407 573141243 /nfs/dbraw/zinc/14/12/43/573141243.db2.gz UAKAYDYONJHRGD-SECBINFHSA-N 1 0 195.306 3.032 10 0 AGAERO CCC[NH2+][C@H](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 221201638 573141521 /nfs/dbraw/zinc/14/15/21/573141521.db2.gz XTZTWQYFISOQLE-YVECIDJPSA-N 1 0 197.366 3.447 10 0 AGAERO CCCC1([C@@H]2[NH2+]C[C@@H](C)S2)CCC1 686127516 573141699 /nfs/dbraw/zinc/14/16/99/573141699.db2.gz DHZZRIZZNDKTSX-NXEZZACHSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@H]1C[C@@]1(C)C[NH2+]C[C@H]1CC[C@@H](C)C1 714633966 573141829 /nfs/dbraw/zinc/14/18/29/573141829.db2.gz OHBGYJZXYZFVHZ-VOAKCMCISA-N 1 0 195.350 3.058 10 0 AGAERO CCC[NH2+][C@@H](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 221201593 573142109 /nfs/dbraw/zinc/14/21/09/573142109.db2.gz XTZTWQYFISOQLE-MROQNXINSA-N 1 0 197.366 3.447 10 0 AGAERO CCC(CC)CC1(C(C)C)C[NH2+]C1 128912883 573142501 /nfs/dbraw/zinc/14/25/01/573142501.db2.gz BSIQGZQRZCQSMX-UHFFFAOYSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)[C@H]1CC[C@@H]([NH2+]CC2(C)CC2)C1 308507963 573142607 /nfs/dbraw/zinc/14/26/07/573142607.db2.gz JNBBCJNFDDOFBE-NWDGAFQWSA-N 1 0 195.350 3.201 10 0 AGAERO C(CCC1CCCC1)C[NH2+]CC1CC1 308502501 573142917 /nfs/dbraw/zinc/14/29/17/573142917.db2.gz HGERMWWTOBCTGJ-UHFFFAOYSA-N 1 0 195.350 3.347 10 0 AGAERO CC[NH2+]CC/C=C/CC(CC)CC 128921812 573142856 /nfs/dbraw/zinc/14/28/56/573142856.db2.gz KCKYROOROKNWBP-BQYQJAHWSA-N 1 0 183.339 3.369 10 0 AGAERO CCC(C)(C)C[NH2+]CC1(C2CC2)CC1 308508031 573142962 /nfs/dbraw/zinc/14/29/62/573142962.db2.gz JOQXIHPMBKNAJP-UHFFFAOYSA-N 1 0 195.350 3.202 10 0 AGAERO CC(C)CC[C@@H]([NH3+])C(C1CC1)C1CC1 308502823 573143393 /nfs/dbraw/zinc/14/33/93/573143393.db2.gz XJIQOFXLKSQUPQ-GFCCVEGCSA-N 1 0 195.350 3.186 10 0 AGAERO CC(C)C[C@H](C)[C@H]([NH3+])[C@@H]1CCC[C@@H]1C 308503844 573143580 /nfs/dbraw/zinc/14/35/80/573143580.db2.gz XWBGXRYOXLMRIS-RVMXOQNASA-N 1 0 197.366 3.432 10 0 AGAERO CC(C)CC[N@H+](C)[C@@H]1CC[C@@H](C)C1 308281729 573143699 /nfs/dbraw/zinc/14/36/99/573143699.db2.gz XEOAAAPMYYDAFP-VXGBXAGGSA-N 1 0 183.339 3.153 10 0 AGAERO CC(C)CC[C@H]([NH3+])C(C1CC1)C1CC1 308502824 573143854 /nfs/dbraw/zinc/14/38/54/573143854.db2.gz XJIQOFXLKSQUPQ-LBPRGKRZSA-N 1 0 195.350 3.186 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1C1([NH3+])CCCC1 82658118 573143884 /nfs/dbraw/zinc/14/38/84/573143884.db2.gz ZUGSGYKVQOQRJN-NEPJUHHUSA-N 1 0 195.350 3.474 10 0 AGAERO CC(C)[C@@H]1CC[C@H]([NH2+]CC2(C)CC2)C1 308507961 573144084 /nfs/dbraw/zinc/14/40/84/573144084.db2.gz JNBBCJNFDDOFBE-NEPJUHHUSA-N 1 0 195.350 3.201 10 0 AGAERO CC[N@@H+](C1CC1)[C@@H](C)C1CCCC1 308502929 573144811 /nfs/dbraw/zinc/14/48/11/573144811.db2.gz XSQDGDCWWYYSSO-JTQLQIEISA-N 1 0 181.323 3.049 10 0 AGAERO CC[NH2+][C@H](C(C)C)[C@@H]1CCC[C@H]2C[C@H]21 308502839 573144258 /nfs/dbraw/zinc/14/42/58/573144258.db2.gz XKHZPXIKKCUYQC-UMSGYPCISA-N 1 0 195.350 3.057 10 0 AGAERO CC(C)C(C)(C)[NH2+][C@H](C)c1ccco1 308502545 573144384 /nfs/dbraw/zinc/14/43/84/573144384.db2.gz HHOCLTUVWVIFGB-SNVBAGLBSA-N 1 0 195.306 3.365 10 0 AGAERO CC(C)CC[N@H+](C)[C@@H]1CC[C@H](C)C1 308281726 573144403 /nfs/dbraw/zinc/14/44/03/573144403.db2.gz XEOAAAPMYYDAFP-NWDGAFQWSA-N 1 0 183.339 3.153 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[C@H]([NH3+])C(C)C 82658420 573144463 /nfs/dbraw/zinc/14/44/63/573144463.db2.gz KZJXWDKXRZITJW-GRYCIOLGSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H]1CCCC[C@H]1C1([NH3+])CCCC1 82658121 573144679 /nfs/dbraw/zinc/14/46/79/573144679.db2.gz ZUGSGYKVQOQRJN-NWDGAFQWSA-N 1 0 195.350 3.474 10 0 AGAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH3+])C(C)C 82658422 573144686 /nfs/dbraw/zinc/14/46/86/573144686.db2.gz KZJXWDKXRZITJW-IJLUTSLNSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)(C)[C@H](C[NH3+])CCCC(F)F 688729060 573144891 /nfs/dbraw/zinc/14/48/91/573144891.db2.gz SAYIOIHVAUMYDM-QMMMGPOBSA-N 1 0 193.281 3.043 10 0 AGAERO CC(C)C[C@H](C)[C@H]([NH3+])[C@H]1CCC[C@@H]1C 308503843 573144926 /nfs/dbraw/zinc/14/49/26/573144926.db2.gz XWBGXRYOXLMRIS-CYDGBPFRSA-N 1 0 197.366 3.432 10 0 AGAERO CC(C)C(C)(C)[NH2+][C@@H](C)c1ccco1 308502544 573145079 /nfs/dbraw/zinc/14/50/79/573145079.db2.gz HHOCLTUVWVIFGB-JTQLQIEISA-N 1 0 195.306 3.365 10 0 AGAERO C[NH2+]CC/C=C/C1CCCCCC1 128921569 573145121 /nfs/dbraw/zinc/14/51/21/573145121.db2.gz NXRZLQBNHMIMIW-UXBLZVDNSA-N 1 0 181.323 3.123 10 0 AGAERO CC(C)C[C@H](C)[C@H]([NH3+])[C@@H]1CCC[C@H]1C 308503846 573145171 /nfs/dbraw/zinc/14/51/71/573145171.db2.gz XWBGXRYOXLMRIS-XQHKEYJVSA-N 1 0 197.366 3.432 10 0 AGAERO CCCC1(CC(CC)CC)C[NH2+]C1 128912483 573145209 /nfs/dbraw/zinc/14/52/09/573145209.db2.gz SBSDRUBUBQYENE-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO CCC(CC)C/C(C)=C/CC[NH2+]C 128925176 573145240 /nfs/dbraw/zinc/14/52/40/573145240.db2.gz YYIYINJITLWGCS-DHZHZOJOSA-N 1 0 183.339 3.369 10 0 AGAERO CC[N@@H+](C1CC1)[C@H](C)C1CCCC1 308502934 573145335 /nfs/dbraw/zinc/14/53/35/573145335.db2.gz XSQDGDCWWYYSSO-SNVBAGLBSA-N 1 0 181.323 3.049 10 0 AGAERO CC(C)[C@H]1CC[C@H]([NH2+]CC2(C)CC2)C1 308507964 573145990 /nfs/dbraw/zinc/14/59/90/573145990.db2.gz JNBBCJNFDDOFBE-RYUDHWBXSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@]1(C)[NH2+]C(C)(C)c2ccccc21 238290735 573145994 /nfs/dbraw/zinc/14/59/94/573145994.db2.gz FHTYIMWXPJEOIO-CYBMUJFWSA-N 1 0 189.302 3.150 10 0 AGAERO CC[C@@H]([NH3+])C[C@H]1CC=C(C)C1(C)C 238290353 573145655 /nfs/dbraw/zinc/14/56/55/573145655.db2.gz KQIFGDFIMUMWLL-GHMZBOCLSA-N 1 0 181.323 3.106 10 0 AGAERO CC[NH2+][C@H](C(C)C)[C@@H]1CCC[C@@H]2C[C@@H]21 308502837 573145998 /nfs/dbraw/zinc/14/59/98/573145998.db2.gz XKHZPXIKKCUYQC-FVCCEPFGSA-N 1 0 195.350 3.057 10 0 AGAERO C[C@@H]1CC[C@H](C[NH2+]C[C@]2(C)C[C@H]2C)C1 714633965 573145669 /nfs/dbraw/zinc/14/56/69/573145669.db2.gz OHBGYJZXYZFVHZ-NDBYEHHHSA-N 1 0 195.350 3.058 10 0 AGAERO CCC(CC)C/C(C)=C/CC[NH3+] 128919927 573145875 /nfs/dbraw/zinc/14/58/75/573145875.db2.gz LJHVJGJTNLPOAF-JXMROGBWSA-N 1 0 169.312 3.108 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1[NH3+] 82658872 573147198 /nfs/dbraw/zinc/14/71/98/573147198.db2.gz IAGQRYNICOYCQL-VOAKCMCISA-N 1 0 195.350 3.330 10 0 AGAERO CC(C)(C)[C@@H](C[NH3+])CCCC(F)F 688729059 573147442 /nfs/dbraw/zinc/14/74/42/573147442.db2.gz SAYIOIHVAUMYDM-MRVPVSSYSA-N 1 0 193.281 3.043 10 0 AGAERO CC[C@@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 82659036 573147348 /nfs/dbraw/zinc/14/73/48/573147348.db2.gz MYDWBEPYDDDBTB-UPJWGTAASA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H](C)C[NH2+][C@@H]1[C@@H](C)CC[C@H]1C 308287999 573147355 /nfs/dbraw/zinc/14/73/55/573147355.db2.gz FGKJOMONKGPWLG-WYUUTHIRSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 82659027 573147519 /nfs/dbraw/zinc/14/75/19/573147519.db2.gz MYDWBEPYDDDBTB-AGIUHOORSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H]([NH3+])c1ccc2ccsc2c1 238290725 573147611 /nfs/dbraw/zinc/14/76/11/573147611.db2.gz XTHAWXRNFXBFIF-SNVBAGLBSA-N 1 0 191.299 3.311 10 0 AGAERO CCCCCC[N@@H+]1[C@@H](C)CC1(C)C 308287408 573147631 /nfs/dbraw/zinc/14/76/31/573147631.db2.gz CMWWDZOGURMOTQ-NSHDSACASA-N 1 0 183.339 3.440 10 0 AGAERO 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CC[C@@H]1C[NH2+][C@@H](C)c2cc(C)ccc21 82784724 573191094 /nfs/dbraw/zinc/19/10/94/573191094.db2.gz QATZMXKMAANXHJ-WDEREUQCSA-N 1 0 189.302 3.153 10 0 AGAERO CC(C)[NH2+]CSC1CCCCC1 259361738 573191946 /nfs/dbraw/zinc/19/19/46/573191946.db2.gz ZRHIIJWGRLLTRI-UHFFFAOYSA-N 1 0 187.352 3.008 10 0 AGAERO CC(C)CC[C@H](C)[NH2+][C@H]1C[C@@H]1C1CC1 308516619 573192007 /nfs/dbraw/zinc/19/20/07/573192007.db2.gz MYSUVPQRRHRCFB-UHTWSYAYSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC1 308516621 573192179 /nfs/dbraw/zinc/19/21/79/573192179.db2.gz MYSUVPQRRHRCFB-WCFLWFBJSA-N 1 0 195.350 3.199 10 0 AGAERO CC[NH2+]C/C=C\[C@@H](C)C1CCCCC1 308516699 573192469 /nfs/dbraw/zinc/19/24/69/573192469.db2.gz NYAWMWAFKYWGOT-QDZRJHCZSA-N 1 0 195.350 3.369 10 0 AGAERO CC[NH2+]C/C=C/[C@@H](C)C1CCCCC1 308516694 573193970 /nfs/dbraw/zinc/19/39/70/573193970.db2.gz NYAWMWAFKYWGOT-ABZNLYFFSA-N 1 0 195.350 3.369 10 0 AGAERO FC1(CC[NH2+]CC2CCCC2)CCC1 308515507 573193390 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3.075 10 0 AGAERO CCC[C@H]1[NH2+][C@@H](C)Cc2ccccc21 82785511 573195016 /nfs/dbraw/zinc/19/50/16/573195016.db2.gz KHRHXZVRWWWKSM-GXFFZTMASA-N 1 0 189.302 3.062 10 0 AGAERO CCC[C@@H]1[NH2+][C@H](C)Cc2ccccc21 82785514 573195180 /nfs/dbraw/zinc/19/51/80/573195180.db2.gz KHRHXZVRWWWKSM-MFKMUULPSA-N 1 0 189.302 3.062 10 0 AGAERO CC[C@]1(C[NH3+])C[C@H](C)CC[C@@H]1C(C)C 238309958 573196459 /nfs/dbraw/zinc/19/64/59/573196459.db2.gz XZCMQAPKAPSISJ-JHJVBQTASA-N 1 0 197.366 3.434 10 0 AGAERO c1ccc(-c2ccc3c[nH+]cn3c2)cc1 259366797 573196475 /nfs/dbraw/zinc/19/64/75/573196475.db2.gz ZULMQWXZTLIXSR-UHFFFAOYSA-N 1 0 194.237 3.001 10 0 AGAERO CC[C@H](C)C[N@H+](CC)C[C@@H](F)CC 308304932 573197168 /nfs/dbraw/zinc/19/71/68/573197168.db2.gz NXOGLWFJAXUQSV-QWRGUYRKSA-N 1 0 189.318 3.103 10 0 AGAERO Cc1csc2cccc([C@@H](C)[NH3+])c12 257966816 573197194 /nfs/dbraw/zinc/19/71/94/573197194.db2.gz GDUNNPIBYVKDLD-MRVPVSSYSA-N 1 0 191.299 3.229 10 0 AGAERO CC[C@H](F)C[N@@H+](CC)C[C@H](C)CC 308304931 573197229 /nfs/dbraw/zinc/19/72/29/573197229.db2.gz NXOGLWFJAXUQSV-MNOVXSKESA-N 1 0 189.318 3.103 10 0 AGAERO C/C=C\C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 308304980 573197588 /nfs/dbraw/zinc/19/75/88/573197588.db2.gz NZTALMFJIGZRMZ-XLMCQVRKSA-N 1 0 181.323 3.073 10 0 AGAERO CC[C@H](C(C)C)[N@H+](C)CC1CCC1 308305361 573197997 /nfs/dbraw/zinc/19/79/97/573197997.db2.gz OCZOHGHQQCCKCD-GFCCVEGCSA-N 1 0 183.339 3.153 10 0 AGAERO C/C=C\C[N@H+](C)[C@@H]1CCC[C@H](C)C1 308304979 573198191 /nfs/dbraw/zinc/19/81/91/573198191.db2.gz NZTALMFJIGZRMZ-KBIXYVOKSA-N 1 0 181.323 3.073 10 0 AGAERO Cc1csc2cccc([C@H](C)[NH3+])c12 257966820 573198310 /nfs/dbraw/zinc/19/83/10/573198310.db2.gz GDUNNPIBYVKDLD-QMMMGPOBSA-N 1 0 191.299 3.229 10 0 AGAERO CC[C@@H](C(C)C)[N@H+](C)CC1CCC1 308305362 573198353 /nfs/dbraw/zinc/19/83/53/573198353.db2.gz OCZOHGHQQCCKCD-LBPRGKRZSA-N 1 0 183.339 3.153 10 0 AGAERO C[NH2+]CC12CCC(C(C)C)(CC1)CC2 258584677 573198439 /nfs/dbraw/zinc/19/84/39/573198439.db2.gz MNYVBSZEYQNXEL-UHFFFAOYSA-N 1 0 195.350 3.202 10 0 AGAERO C[NH2+]C12C=CC(C(C)(C)C)(CC1)CC2 238312108 573201110 /nfs/dbraw/zinc/20/11/10/573201110.db2.gz VVGKDUYZAWVBJY-UHFFFAOYSA-N 1 0 193.334 3.121 10 0 AGAERO Cc1ccc([C@H]([NH3+])[C@@H]2CC2(C)C)cc1 235928040 573201590 /nfs/dbraw/zinc/20/15/90/573201590.db2.gz FBVPQDMYLADHHP-RYUDHWBXSA-N 1 0 189.302 3.041 10 0 AGAERO CC(C)(C)C(C)(C)[NH2+]CCCCF 308307406 573201711 /nfs/dbraw/zinc/20/17/11/573201711.db2.gz OUTFBOFNBUBKEO-UHFFFAOYSA-N 1 0 189.318 3.150 10 0 AGAERO CCC1([C@@H]2[NH2+]C(C)(C)CS2)CCC1 686127704 573201822 /nfs/dbraw/zinc/20/18/22/573201822.db2.gz GDYOHQLCYIUQRV-SECBINFHSA-N 1 0 199.363 3.008 10 0 AGAERO CC(C)CC[NH2+]C(C)(C)C(C)(F)F 405929387 573202140 /nfs/dbraw/zinc/20/21/40/573202140.db2.gz LHZLYRKQDKICHM-UHFFFAOYSA-N 1 0 193.281 3.056 10 0 AGAERO CC[NH2+][C@@H](C)CC(C)(C)C(C)(C)C 82816768 573214049 /nfs/dbraw/zinc/21/40/49/573214049.db2.gz QJIVBOOQHYLQJZ-JTQLQIEISA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@H](C[NH2+]C[C@H](C)CC)C(C)C 308310079 573204569 /nfs/dbraw/zinc/20/45/69/573204569.db2.gz QTYNWTQFKCIJMX-VXGBXAGGSA-N 1 0 185.355 3.304 10 0 AGAERO CCC1([C@H]2[NH2+]C(C)(C)CS2)CCC1 686127705 573203636 /nfs/dbraw/zinc/20/36/36/573203636.db2.gz GDYOHQLCYIUQRV-VIFPVBQESA-N 1 0 199.363 3.008 10 0 AGAERO CCc1ccc([C@@H](C)C[C@@H](C)[NH3+])cc1 82807775 573206094 /nfs/dbraw/zinc/20/60/94/573206094.db2.gz HLWLGMMQSFBACS-WDEREUQCSA-N 1 0 191.318 3.090 10 0 AGAERO Cc1cccc([C@@H](C)C[C@H](C)[NH3+])c1C 82807808 573206135 /nfs/dbraw/zinc/20/61/35/573206135.db2.gz OTLXFXBMJNQPFA-QWRGUYRKSA-N 1 0 191.318 3.144 10 0 AGAERO C[NH2+]C1=CCCC[C@H]1c1ccccc1 238312960 573206141 /nfs/dbraw/zinc/20/61/41/573206141.db2.gz STPBJXJODOUQJV-LBPRGKRZSA-N 1 0 187.286 3.057 10 0 AGAERO Cc1ccc(Cl)c(C)c1[C@H](C)C[NH3+] 257964933 573206144 /nfs/dbraw/zinc/20/61/44/573206144.db2.gz CCVPDHULPQFHJQ-MRVPVSSYSA-N 1 0 197.709 3.019 10 0 AGAERO CC[C@H](C)C[NH2+]C[C@H](CC)C(C)C 308310078 573206303 /nfs/dbraw/zinc/20/63/03/573206303.db2.gz QTYNWTQFKCIJMX-RYUDHWBXSA-N 1 0 185.355 3.304 10 0 AGAERO Cc1cccc([C@@H](C)C[C@@H](C)[NH3+])c1C 82807804 573206322 /nfs/dbraw/zinc/20/63/22/573206322.db2.gz OTLXFXBMJNQPFA-WDEREUQCSA-N 1 0 191.318 3.144 10 0 AGAERO C[NH2+]C1=CCCC[C@@H]1c1ccccc1 238312946 573206358 /nfs/dbraw/zinc/20/63/58/573206358.db2.gz STPBJXJODOUQJV-GFCCVEGCSA-N 1 0 187.286 3.057 10 0 AGAERO CC[C@H](C)C[NH2+]C[C@@H](CC)C(C)C 308310077 573206689 /nfs/dbraw/zinc/20/66/89/573206689.db2.gz QTYNWTQFKCIJMX-NWDGAFQWSA-N 1 0 185.355 3.304 10 0 AGAERO C[C@H]([NH3+])C[C@H](C)c1ccc(Cl)cc1 82808295 573206927 /nfs/dbraw/zinc/20/69/27/573206927.db2.gz RRHMYMKRJZYEEV-IUCAKERBSA-N 1 0 197.709 3.181 10 0 AGAERO C[NH2+]C[C@H](CC(C)C)c1cccs1 107188249 573206960 /nfs/dbraw/zinc/20/69/60/573206960.db2.gz NDULFDVHWQJFPQ-JTQLQIEISA-N 1 0 197.347 3.097 10 0 AGAERO CCC[C@H](C)[C@@H]1CCCC[C@@H]1C[NH3+] 233341794 573206966 /nfs/dbraw/zinc/20/69/66/573206966.db2.gz RWFCYRZUYQMBLI-TUAOUCFPSA-N 1 0 183.339 3.188 10 0 AGAERO C[C@@H](C[C@@H](C)[NH3+])c1ccccc1Cl 82808249 573207024 /nfs/dbraw/zinc/20/70/24/573207024.db2.gz PGQNXZVPBOYPGH-DTWKUNHWSA-N 1 0 197.709 3.181 10 0 AGAERO Cc1cc([C@H]2CCC[NH2+]2)cc(C)c1C 257965032 573207063 /nfs/dbraw/zinc/20/70/63/573207063.db2.gz CESJXOXSPQNMLH-CYBMUJFWSA-N 1 0 189.302 3.036 10 0 AGAERO C[C@H](F)c1ccc(C2([NH3+])CCC2)cc1 257964905 573207095 /nfs/dbraw/zinc/20/70/95/573207095.db2.gz CCCMDMJGNYYOSP-VIFPVBQESA-N 1 0 193.265 3.055 10 0 AGAERO C[C@@H](C[C@@H](C)[NH3+])c1cccc(Cl)c1 82808267 573207099 /nfs/dbraw/zinc/20/70/99/573207099.db2.gz BGVWJGMDLLZFAH-DTWKUNHWSA-N 1 0 197.709 3.181 10 0 AGAERO Cc1ccccc1C(C)(C)C[C@H](C)[NH3+] 82816339 573207304 /nfs/dbraw/zinc/20/73/04/573207304.db2.gz QASWTCDCNKEXMQ-NSHDSACASA-N 1 0 191.318 3.010 10 0 AGAERO Cc1cccc(C(C)(C)C[C@H](C)[NH3+])c1 82816449 573207379 /nfs/dbraw/zinc/20/73/79/573207379.db2.gz NQHGYTJKKTWJRZ-NSHDSACASA-N 1 0 191.318 3.010 10 0 AGAERO C[C@@H](F)c1ccc(C2([NH3+])CCC2)cc1 257964900 573207410 /nfs/dbraw/zinc/20/74/10/573207410.db2.gz CCCMDMJGNYYOSP-SECBINFHSA-N 1 0 193.265 3.055 10 0 AGAERO Cc1ccc(Cl)c(C)c1[C@@H](C)C[NH3+] 257964937 573207437 /nfs/dbraw/zinc/20/74/37/573207437.db2.gz CCVPDHULPQFHJQ-QMMMGPOBSA-N 1 0 197.709 3.019 10 0 AGAERO Cc1cc([C@@H]2CCC[NH2+]2)cc(C)c1C 257965036 573207517 /nfs/dbraw/zinc/20/75/17/573207517.db2.gz CESJXOXSPQNMLH-ZDUSSCGKSA-N 1 0 189.302 3.036 10 0 AGAERO C[C@H]([NH3+])C[C@@H](C)c1ccc(Cl)cc1 82808297 573207590 /nfs/dbraw/zinc/20/75/90/573207590.db2.gz RRHMYMKRJZYEEV-BDAKNGLRSA-N 1 0 197.709 3.181 10 0 AGAERO C[C@H]([NH3+])CC(C)(C)C1CCCCC1 82816402 573207598 /nfs/dbraw/zinc/20/75/98/573207598.db2.gz ULGKUFLRFBOOJA-JTQLQIEISA-N 1 0 183.339 3.330 10 0 AGAERO CCC(C)(C)[NH2+][C@@H](C)CC(F)(F)F 308309114 573209453 /nfs/dbraw/zinc/20/94/53/573209453.db2.gz PZPJPQOXTAOPMA-ZETCQYMHSA-N 1 0 197.244 3.106 10 0 AGAERO Cc1cc(C)cc([C@@H](C)C[C@@H](C)[NH3+])c1 82808652 573209458 /nfs/dbraw/zinc/20/94/58/573209458.db2.gz IJSYHLQEYSKVBW-NWDGAFQWSA-N 1 0 191.318 3.144 10 0 AGAERO 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PGQNXZVPBOYPGH-IUCAKERBSA-N 1 0 197.709 3.181 10 0 AGAERO C[C@H]([NH3+])C[C@H](C)c1cccc(Cl)c1 82808270 573211061 /nfs/dbraw/zinc/21/10/61/573211061.db2.gz BGVWJGMDLLZFAH-IUCAKERBSA-N 1 0 197.709 3.181 10 0 AGAERO C[NH2+][C@@](C)(c1ccccc1)C(C)(C)C 238313780 573211150 /nfs/dbraw/zinc/21/11/50/573211150.db2.gz WWHWLETYERICDW-ZDUSSCGKSA-N 1 0 191.318 3.167 10 0 AGAERO C[C@H]([NH3+])C[C@@H](C)c1cccc(Cl)c1 82808273 573211177 /nfs/dbraw/zinc/21/11/77/573211177.db2.gz BGVWJGMDLLZFAH-BDAKNGLRSA-N 1 0 197.709 3.181 10 0 AGAERO Cc1ccc([C@@H](C)C[C@H](C)[NH3+])cc1C 82808382 573211261 /nfs/dbraw/zinc/21/12/61/573211261.db2.gz CGGZYUKNRPVBTJ-RYUDHWBXSA-N 1 0 191.318 3.144 10 0 AGAERO CCC[NH2+][C@@H](C)C[C@@H](C)C(C)(C)C 82810681 573211381 /nfs/dbraw/zinc/21/13/81/573211381.db2.gz MRMJGLWOWVNBIS-MNOVXSKESA-N 1 0 185.355 3.447 10 0 AGAERO CCC(C)(C)[NH2+][C@H](C)CC(F)(F)F 308309113 573213528 /nfs/dbraw/zinc/21/35/28/573213528.db2.gz PZPJPQOXTAOPMA-SSDOTTSWSA-N 1 0 197.244 3.106 10 0 AGAERO CCC[C@H]([NH2+]C)[C@H]1CC[C@@H](C)[C@@H](C)C1 221203336 573214013 /nfs/dbraw/zinc/21/40/13/573214013.db2.gz CITSQMKXIAZJKE-VOAKCMCISA-N 1 0 197.366 3.447 10 0 AGAERO CCC(C)(C)C[NH2+]C[C@@H](C)C(C)C 308317064 573214754 /nfs/dbraw/zinc/21/47/54/573214754.db2.gz WEDKRFBMKBWOSO-LLVKDONJSA-N 1 0 185.355 3.304 10 0 AGAERO CC[C@H](C)[N@H+](C)[C@H](C)c1ccco1 308316783 573214806 /nfs/dbraw/zinc/21/48/06/573214806.db2.gz VZZLPAOBMFVDMG-VHSXEESVSA-N 1 0 181.279 3.071 10 0 AGAERO C[NH2+]C/C(C)=C\[C@H](C)C1CCCCC1 308517877 573216073 /nfs/dbraw/zinc/21/60/73/573216073.db2.gz OYHSYNUZGNBOGG-MMRAYRKESA-N 1 0 195.350 3.369 10 0 AGAERO CC(C)c1ccccc1/C=C/CC[NH3+] 308517715 573215688 /nfs/dbraw/zinc/21/56/88/573215688.db2.gz VVLOYYAMBKDCLZ-VMPITWQZSA-N 1 0 189.302 3.172 10 0 AGAERO C[NH2+]C/C(C)=C\[C@@H](C)C1CCCCC1 308517879 573216391 /nfs/dbraw/zinc/21/63/91/573216391.db2.gz OYHSYNUZGNBOGG-UCQJPZFISA-N 1 0 195.350 3.369 10 0 AGAERO CCCN(CC(C)C)C(=[NH2+])C(C)(C)C 308517339 573216419 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82843809 573232050 /nfs/dbraw/zinc/23/20/50/573232050.db2.gz GZWPMTOEYKBFJQ-YRRQLQLVSA-N 1 0 195.350 3.057 10 0 AGAERO CCC(C)(C)CC[NH2+][C@@H]1C[C@@H]1C1CC1 716604007 573232102 /nfs/dbraw/zinc/23/21/02/573232102.db2.gz FNMFELJUWJXPII-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO C[NH2+][C@H](C(C)C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 82843709 573232230 /nfs/dbraw/zinc/23/22/30/573232230.db2.gz CTWCSCOQMPRCHP-YVECIDJPSA-N 1 0 197.366 3.303 10 0 AGAERO C[NH2+][C@H](C)CC1=C(C)C(C)(C)CC1 238322895 573232375 /nfs/dbraw/zinc/23/23/75/573232375.db2.gz FVHUSZGJGKMJCA-SECBINFHSA-N 1 0 181.323 3.121 10 0 AGAERO CC(C)[C@@](C)([NH3+])[C@H]1CC[C@@H](C)[C@@H](C)C1 82843022 573232479 /nfs/dbraw/zinc/23/24/79/573232479.db2.gz MRSFFTNWXHCTNU-MROQNXINSA-N 1 0 197.366 3.432 10 0 AGAERO CC(C)[NH2+]C[C@@H]1CC[C@H](C)[C@@H](C)C1 82844085 573232668 /nfs/dbraw/zinc/23/26/68/573232668.db2.gz ILKQDWQENKQIMO-SDDRHHMPSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@](C)([NH3+])[C@@H]1CC[C@H](C)[C@H](C)C1 82842995 573232690 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1 0 181.323 3.250 10 0 AGAERO C[NH2+][C@H](C)C[C@@H]1CC[C@@H](C)C1(C)C 238324168 573238367 /nfs/dbraw/zinc/23/83/67/573238367.db2.gz WTVILBWUXPQJDK-MXWKQRLJSA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+][C@@H](C=C(C)C)c1ccc(F)cc1 86024559 573238458 /nfs/dbraw/zinc/23/84/58/573238458.db2.gz PKLRAHMMZPGXJO-LBPRGKRZSA-N 1 0 193.265 3.052 10 0 AGAERO C[NH2+][C@H]1CC[C@@H](C2CCC(C)CC2)C1 82856667 573238535 /nfs/dbraw/zinc/23/85/35/573238535.db2.gz VWYILCSYYISXCS-TUUUFIMRSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1ccc(Cl)cc1 86024709 573238537 /nfs/dbraw/zinc/23/85/37/573238537.db2.gz VERKKBURYIBFIJ-NSHDSACASA-N 1 0 195.693 3.306 10 0 AGAERO CCCC[C@@H](C)N1CCCCC1=[NH2+] 50889271 573240374 /nfs/dbraw/zinc/24/03/74/573240374.db2.gz AWSRRRGUSDKKOB-SNVBAGLBSA-N 1 0 182.311 3.028 10 0 AGAERO C[NH2+][C@H](C=C(C)C)c1ccc(F)cc1 86024565 573240378 /nfs/dbraw/zinc/24/03/78/573240378.db2.gz PKLRAHMMZPGXJO-GFCCVEGCSA-N 1 0 193.265 3.052 10 0 AGAERO CCC1CCC([C@H]2CC[C@@H]([NH3+])C2)CC1 82856594 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573561637 /nfs/dbraw/zinc/56/16/37/573561637.db2.gz OSLNREALGNJWGD-FRRDWIJNSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@H](F)[C@@H](C1CCCCC1)C1([NH3+])CC1 257830378 573561058 /nfs/dbraw/zinc/56/10/58/573561058.db2.gz HFPGYMMRTLYTAQ-ONGXEEELSA-N 1 0 199.313 3.032 10 0 AGAERO CCc1ccc(C(C)C)c([C@H](C)[NH3+])c1 258061973 573560803 /nfs/dbraw/zinc/56/08/03/573560803.db2.gz LPSBBDOHLFKSQU-JTQLQIEISA-N 1 0 191.318 3.392 10 0 AGAERO C[C@@H](C[C@@H](C)C1CCC1)[C@H]1CCC[NH2+]1 400043423 573560896 /nfs/dbraw/zinc/56/08/96/573560896.db2.gz BSXUHGJRBDBZCE-NTZNESFSSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H](C[C@@H](C)C1CCC1)[C@@H]1CCC[NH2+]1 400043420 573561425 /nfs/dbraw/zinc/56/14/25/573561425.db2.gz BSXUHGJRBDBZCE-MDZLAQPJSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@H](C[C@@H](C)[C@H]1CCC[NH2+]1)C1CCC1 400043422 573561453 /nfs/dbraw/zinc/56/14/53/573561453.db2.gz BSXUHGJRBDBZCE-NQBHXWOUSA-N 1 0 195.350 3.201 10 0 AGAERO CCc1ccc(C(C)C)c([C@@H](C)[NH3+])c1 258061975 573562489 /nfs/dbraw/zinc/56/24/89/573562489.db2.gz LPSBBDOHLFKSQU-SNVBAGLBSA-N 1 0 191.318 3.392 10 0 AGAERO Cc1cc([C@@H]([NH3+])CCCCF)c(C)o1 393666986 573562506 /nfs/dbraw/zinc/56/25/06/573562506.db2.gz CSHBNSOILQZXTC-NSHDSACASA-N 1 0 199.269 3.036 10 0 AGAERO CCC[C@H]([NH2+][C@H]1C[C@H]1CCC)C1CC1 130373119 573563982 /nfs/dbraw/zinc/56/39/82/573563982.db2.gz OSLNREALGNJWGD-AGIUHOORSA-N 1 0 195.350 3.343 10 0 AGAERO [NH3+]C1(CCC2CCC(CF)CC2)CC1 257831698 573564219 /nfs/dbraw/zinc/56/42/19/573564219.db2.gz HQIOBRJRNUMXML-UHFFFAOYSA-N 1 0 199.313 3.034 10 0 AGAERO C[NH2+][C@@H](CC1CCC1)CC1(C)CCC1 308621792 573564440 /nfs/dbraw/zinc/56/44/40/573564440.db2.gz WCYWVGDJXNMNJU-LBPRGKRZSA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)[C@@H](C)[C@@H]([NH3+])CC1CCCC1 126481091 573566212 /nfs/dbraw/zinc/56/62/12/573566212.db2.gz VBGDPNVUZLMEEC-PWSUYJOCSA-N 1 0 183.339 3.186 10 0 AGAERO CCCc1ccc([C@H]2C[C@H](C)[NH2+]2)cc1 259112968 573566906 /nfs/dbraw/zinc/56/69/06/573566906.db2.gz ICZPNACKGSHGNG-GXFFZTMASA-N 1 0 189.302 3.062 10 0 AGAERO CC[C@@H]([NH3+])c1cc(Cl)ccc1C 75416954 573566986 /nfs/dbraw/zinc/56/69/86/573566986.db2.gz WREQYJVFMVVIPT-SNVBAGLBSA-N 1 0 183.682 3.058 10 0 AGAERO Cc1cccc2cccc([C@H](C)[NH3+])c12 238432237 573567031 /nfs/dbraw/zinc/56/70/31/573567031.db2.gz FTGODBQHYXRISP-JTQLQIEISA-N 1 0 185.270 3.168 10 0 AGAERO CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H](C(C)C)C1 308625926 573568067 /nfs/dbraw/zinc/56/80/67/573568067.db2.gz WCSCOXVUHCABIC-LPWJVIDDSA-N 1 0 195.350 3.199 10 0 AGAERO CCC[C@H](C)C[NH2+][C@H]1CC12CCCC2 308625234 573569530 /nfs/dbraw/zinc/56/95/30/573569530.db2.gz VRRWONUSILAVFI-RYUDHWBXSA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)c1ccc([C@H](F)CC[NH3+])cc1 130507004 573570926 /nfs/dbraw/zinc/57/09/26/573570926.db2.gz QMHPEETWISCBHK-GFCCVEGCSA-N 1 0 195.281 3.169 10 0 AGAERO CC(C)c1cccc(C(C)(C)C[NH3+])c1 257832040 573569144 /nfs/dbraw/zinc/56/91/44/573569144.db2.gz KHNMYFSZFKQILU-UHFFFAOYSA-N 1 0 191.318 3.046 10 0 AGAERO CCC[C@@](C)(F)[C@@H]1CCCCC[NH2+]1 257831906 573569165 /nfs/dbraw/zinc/56/91/65/573569165.db2.gz JOXNTDGIPROAHW-WDEREUQCSA-N 1 0 187.302 3.047 10 0 AGAERO CC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H](C(C)C)C1 308625927 573569289 /nfs/dbraw/zinc/56/92/89/573569289.db2.gz WCSCOXVUHCABIC-NDBYEHHHSA-N 1 0 195.350 3.199 10 0 AGAERO CCC[C@@H](C)C[NH2+][C@@H]1CC12CCCC2 308625235 573569358 /nfs/dbraw/zinc/56/93/58/573569358.db2.gz VRRWONUSILAVFI-VXGBXAGGSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@@](C)(F)[C@H]1CCCCC[NH2+]1 257831899 573569384 /nfs/dbraw/zinc/56/93/84/573569384.db2.gz JOXNTDGIPROAHW-GHMZBOCLSA-N 1 0 187.302 3.047 10 0 AGAERO CCCc1ccc([C@@H]2C[C@@H](C)[NH2+]2)cc1 259112972 573569424 /nfs/dbraw/zinc/56/94/24/573569424.db2.gz ICZPNACKGSHGNG-MFKMUULPSA-N 1 0 189.302 3.062 10 0 AGAERO CC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@H](C(C)C)C1 308625928 573570425 /nfs/dbraw/zinc/57/04/25/573570425.db2.gz WCSCOXVUHCABIC-VOAKCMCISA-N 1 0 195.350 3.199 10 0 AGAERO CC1=CC[C@H]([NH2+][C@@H](C)CC2CC2)CC1 308635065 573571202 /nfs/dbraw/zinc/57/12/02/573571202.db2.gz CDFMEGZAPQUYEL-AAEUAGOBSA-N 1 0 193.334 3.263 10 0 AGAERO CCc1ccc(C(C)C)cc1[C@@H](C)[NH3+] 258064736 573571288 /nfs/dbraw/zinc/57/12/88/573571288.db2.gz LQPLAOPSQCRURI-SNVBAGLBSA-N 1 0 191.318 3.392 10 0 AGAERO CCC[C@](C)(F)[C@H]1CCCCC[NH2+]1 257831902 573571556 /nfs/dbraw/zinc/57/15/56/573571556.db2.gz JOXNTDGIPROAHW-MNOVXSKESA-N 1 0 187.302 3.047 10 0 AGAERO CC1(C[NH2+]CC2CC2)CCCCCC1 308633800 573571784 /nfs/dbraw/zinc/57/17/84/573571784.db2.gz BVRUHSFDMREKAR-UHFFFAOYSA-N 1 0 195.350 3.347 10 0 AGAERO CC1([NH2+]CCC2CC2)CCCCCC1 308641433 573571850 /nfs/dbraw/zinc/57/18/50/573571850.db2.gz DXZAVFQNDHQGMJ-UHFFFAOYSA-N 1 0 195.350 3.489 10 0 AGAERO CCc1ccc(C(C)C)cc1[C@H](C)[NH3+] 258064731 573572293 /nfs/dbraw/zinc/57/22/93/573572293.db2.gz LQPLAOPSQCRURI-JTQLQIEISA-N 1 0 191.318 3.392 10 0 AGAERO CC(C)c1ccc([C@@H](F)CC[NH3+])cc1 130507207 573572799 /nfs/dbraw/zinc/57/27/99/573572799.db2.gz QMHPEETWISCBHK-LBPRGKRZSA-N 1 0 195.281 3.169 10 0 AGAERO Cc1cc(C[NH2+]C2CCC2)sc1C 83633128 573574235 /nfs/dbraw/zinc/57/42/35/573574235.db2.gz FQEQGZBDQDCEBQ-UHFFFAOYSA-N 1 0 195.331 3.007 10 0 AGAERO CC1(C[NH2+]CC2(F)CCCC2)CCC1 308637035 573575767 /nfs/dbraw/zinc/57/57/67/573575767.db2.gz CRRKUYXPOBCQKL-UHFFFAOYSA-N 1 0 199.313 3.049 10 0 AGAERO CC[NH2+]Cc1ccc2cc(C)ccc2c1 259114064 573575775 /nfs/dbraw/zinc/57/57/75/573575775.db2.gz PIFQBYMSPOEGCZ-UHFFFAOYSA-N 1 0 199.297 3.258 10 0 AGAERO Cc1cc(F)cc([C@@H]([NH3+])C(C)(C)C)c1 86693271 573575960 /nfs/dbraw/zinc/57/59/60/573575960.db2.gz KBEIAJWVMBIPPD-LLVKDONJSA-N 1 0 195.281 3.180 10 0 AGAERO Cc1cc(C[NH2+]C(C)(C)C)sc1C 83631430 573576253 /nfs/dbraw/zinc/57/62/53/573576253.db2.gz WVSCXOFKAMGEAE-UHFFFAOYSA-N 1 0 197.347 3.253 10 0 AGAERO [NH3+][C@H](CC1CC1)c1cccc(Cl)c1 78676935 573576263 /nfs/dbraw/zinc/57/62/63/573576263.db2.gz SGVCPRVXHLHGOM-LLVKDONJSA-N 1 0 195.693 3.140 10 0 AGAERO C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[NH2+]1 238444470 573576288 /nfs/dbraw/zinc/57/62/88/573576288.db2.gz OGFPSTVPWJEPKN-NQBHXWOUSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@@H](C)[C@H]([NH3+])c1cc(C)cc(F)c1 86693426 573576322 /nfs/dbraw/zinc/57/63/22/573576322.db2.gz OJJJUJOITUAKGU-SKDRFNHKSA-N 1 0 195.281 3.180 10 0 AGAERO [NH3+][C@H](CC1CC1)c1ccccc1Cl 78676930 573576562 /nfs/dbraw/zinc/57/65/62/573576562.db2.gz JMUFOHSWAWNFDF-LLVKDONJSA-N 1 0 195.693 3.140 10 0 AGAERO Cc1cscc1[C@@H](CC[NH3+])C(C)C 214913594 573578209 /nfs/dbraw/zinc/57/82/09/573578209.db2.gz KCCJERGQOFCLNF-JTQLQIEISA-N 1 0 197.347 3.145 10 0 AGAERO CCC([NH3+])(CC)c1cc(C)cc(F)c1 86692900 573578233 /nfs/dbraw/zinc/57/82/33/573578233.db2.gz ZRBWVEBSWQEFMB-UHFFFAOYSA-N 1 0 195.281 3.108 10 0 AGAERO Cc1cc(F)cc([C@H]([NH3+])C(C)(C)C)c1 86693270 573578319 /nfs/dbraw/zinc/57/83/19/573578319.db2.gz KBEIAJWVMBIPPD-NSHDSACASA-N 1 0 195.281 3.180 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])c1cc(C)cc(F)c1 86693428 573578336 /nfs/dbraw/zinc/57/83/36/573578336.db2.gz OJJJUJOITUAKGU-CABZTGNLSA-N 1 0 195.281 3.180 10 0 AGAERO CC[NH2+][C@H](CC)c1cc(C)cc(F)c1 86693308 573578990 /nfs/dbraw/zinc/57/89/90/573578990.db2.gz ISJBINIFFOUDPZ-GFCCVEGCSA-N 1 0 195.281 3.195 10 0 AGAERO C[NH2+][C@H](c1cc(C)cc(F)c1)C(C)C 86693295 573579166 /nfs/dbraw/zinc/57/91/66/573579166.db2.gz RYHQIICPSHLCSZ-LBPRGKRZSA-N 1 0 195.281 3.051 10 0 AGAERO Cc1cc(F)cc([C@@H]([NH3+])CC(C)C)c1 86693261 573579559 /nfs/dbraw/zinc/57/95/59/573579559.db2.gz IXYOLEKXOOOJMH-LBPRGKRZSA-N 1 0 195.281 3.180 10 0 AGAERO CC[C@@H](C)[C@@H]([NH3+])c1cc(C)cc(F)c1 86693430 573580035 /nfs/dbraw/zinc/58/00/35/573580035.db2.gz OJJJUJOITUAKGU-BXKDBHETSA-N 1 0 195.281 3.180 10 0 AGAERO CC(C)C[NH2+]CC/C=C\C1CCCC1 211813626 573580490 /nfs/dbraw/zinc/58/04/90/573580490.db2.gz XOPTYEUEUGRDIM-UITAMQMPSA-N 1 0 195.350 3.369 10 0 AGAERO C[NH2+][C@@H](c1cc(C)cc(F)c1)C(C)C 86693293 573580492 /nfs/dbraw/zinc/58/04/92/573580492.db2.gz RYHQIICPSHLCSZ-GFCCVEGCSA-N 1 0 195.281 3.051 10 0 AGAERO CC1(C)/C(=C\[C@@H]2CC=CCC2)C[C@@H]1[NH3+] 405203074 573580798 /nfs/dbraw/zinc/58/07/98/573580798.db2.gz DQKIOWLYCSLGJC-RWPCGZBTSA-N 1 0 191.318 3.026 10 0 AGAERO Cc1cc(F)cc([C@H]([NH3+])CC(C)C)c1 86693257 573580806 /nfs/dbraw/zinc/58/08/06/573580806.db2.gz IXYOLEKXOOOJMH-GFCCVEGCSA-N 1 0 195.281 3.180 10 0 AGAERO CC(C)C[NH2+]CC/C=C\CC1CCC1 211813738 573581379 /nfs/dbraw/zinc/58/13/79/573581379.db2.gz QDBWKFSLRYSAAA-ARJAWSKDSA-N 1 0 195.350 3.369 10 0 AGAERO CCC(CC)[C@]1(F)C[C@@H]([NH3+])C12CCC2 405223058 573581437 /nfs/dbraw/zinc/58/14/37/573581437.db2.gz NHTOYKHYKMRSEF-ZYHUDNBSSA-N 1 0 199.313 3.032 10 0 AGAERO C[C@H](c1ccccc1)C1([NH3+])CCCC1 82390743 573583066 /nfs/dbraw/zinc/58/30/66/573583066.db2.gz IOGLCZDDTKCBOS-LLVKDONJSA-N 1 0 189.302 3.062 10 0 AGAERO C[C@@H]([NH3+])[C@H]1CCCCC12CCCC2 107414500 573587050 /nfs/dbraw/zinc/58/70/50/573587050.db2.gz KPJXZVDVMOQHJK-GHMZBOCLSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@H]([NH3+])[C@H]1CCCC12CCCCC2 107414485 573587083 /nfs/dbraw/zinc/58/70/83/573587083.db2.gz LKKBYVAKYBOZOG-WDEREUQCSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@H]([NH3+])[C@@H]1CCCC12CCCCC2 107414481 573586538 /nfs/dbraw/zinc/58/65/38/573586538.db2.gz LKKBYVAKYBOZOG-QWRGUYRKSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@@H](CC1CC[NH2+]CC1)C(C)(C)C 107416461 573586760 /nfs/dbraw/zinc/58/67/60/573586760.db2.gz VEPRJEIHNSXBTB-JTQLQIEISA-N 1 0 183.339 3.058 10 0 AGAERO C[C@@H](CC(C)(C)C)C1CC[NH2+]CC1 107416546 573586895 /nfs/dbraw/zinc/58/68/95/573586895.db2.gz INONZHSTXDVALE-JTQLQIEISA-N 1 0 183.339 3.058 10 0 AGAERO C[C@H]([NH3+])C1CCC2(CCCC2)CC1 107414477 573588168 /nfs/dbraw/zinc/58/81/68/573588168.db2.gz KMUACTGICAYPAR-JTQLQIEISA-N 1 0 181.323 3.084 10 0 AGAERO Cc1ccc(C)c2c1[C@@H]([NH3+])[C@H](C)[C@H]2C 86718447 573588714 /nfs/dbraw/zinc/58/87/14/573588714.db2.gz GMCIRHHHSXSCJD-BREBYQMCSA-N 1 0 189.302 3.056 10 0 AGAERO C[NH2+][C@@H]1c2cc(C)ccc2[C@@H](C)[C@H]1C 86719234 573588349 /nfs/dbraw/zinc/58/83/49/573588349.db2.gz MHYFLTIIGWVMQW-CWSCBRNRSA-N 1 0 189.302 3.009 10 0 AGAERO CC[C@@H]1c2ccc(C)cc2[C@@H]([NH3+])[C@@H]1C 86718518 573588364 /nfs/dbraw/zinc/58/83/64/573588364.db2.gz JEUDDWKOVAAKNY-NRUUGDAUSA-N 1 0 189.302 3.138 10 0 AGAERO C[C@@H](C[C@H]1CCC[NH2+]C1)C(C)(C)C 107416453 573588372 /nfs/dbraw/zinc/58/83/72/573588372.db2.gz GNJGWCKHCBIHNH-WDEREUQCSA-N 1 0 183.339 3.058 10 0 AGAERO CC(C)C[C@@H]1CCC/C(=C/CC[NH3+])C1 308405198 573588395 /nfs/dbraw/zinc/58/83/95/573588395.db2.gz LLAWKSXCASAHIT-OTAKNEKHSA-N 1 0 195.350 3.498 10 0 AGAERO C[C@@H](C[C@@H]1CCC[NH2+]C1)C(C)(C)C 107416446 573588538 /nfs/dbraw/zinc/58/85/38/573588538.db2.gz GNJGWCKHCBIHNH-QWRGUYRKSA-N 1 0 183.339 3.058 10 0 AGAERO [NH3+]CCC1CCC2(CCCC2)CC1 107414453 573588586 /nfs/dbraw/zinc/58/85/86/573588586.db2.gz LMUKVSJOIZUBEB-UHFFFAOYSA-N 1 0 181.323 3.086 10 0 AGAERO CC(C)[C@@H]1c2ccccc2[C@H]([NH3+])[C@H]1C 86718726 573588601 /nfs/dbraw/zinc/58/86/01/573588601.db2.gz CGBBCDLELZNYND-TVYUQYBPSA-N 1 0 189.302 3.076 10 0 AGAERO CC[NH2+][C@@H]1c2ccccc2[C@H](C)[C@@H]1C 86719619 573588644 /nfs/dbraw/zinc/58/86/44/573588644.db2.gz 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573666943 /nfs/dbraw/zinc/66/69/43/573666943.db2.gz SLDXGVVMOIFWJP-AAEUAGOBSA-N 1 0 195.350 3.201 10 0 AGAERO [NH3+]C1CCC(=C2CCCCC2)CC1 86881672 573672239 /nfs/dbraw/zinc/67/22/39/573672239.db2.gz NEKYJQHHFJCZSZ-UHFFFAOYSA-N 1 0 179.307 3.148 10 0 AGAERO CC[C@@H]1CCC/C(=C2\CCC[NH2+]C2)C1 86881307 573672585 /nfs/dbraw/zinc/67/25/85/573672585.db2.gz BJGBFCPNVJEQBM-LPJIALBHSA-N 1 0 193.334 3.267 10 0 AGAERO Cc1ccc([C@H](C)C[NH3+])c(C)c1Cl 214922933 573672591 /nfs/dbraw/zinc/67/25/91/573672591.db2.gz UMNKCXJZIAAIPQ-MRVPVSSYSA-N 1 0 197.709 3.019 10 0 AGAERO C[C@@H]1CCC(=C2CC[NH2+]CC2)C[C@H]1C 86881026 573669305 /nfs/dbraw/zinc/66/93/05/573669305.db2.gz NQXVOXAIHGCAOZ-GHMZBOCLSA-N 1 0 193.334 3.123 10 0 AGAERO C[C@H]1CC/C(=C2\CCC[NH2+]C2)C[C@H]1C 86881460 573669362 /nfs/dbraw/zinc/66/93/62/573669362.db2.gz YAICOAHCSWUXSM-HDTCZIKISA-N 1 0 193.334 3.123 10 0 AGAERO [NH3+]C[C@H]1CCCC[C@@H]1C1CCCCC1 83825131 573669371 /nfs/dbraw/zinc/66/93/71/573669371.db2.gz BDPROAKHYOHLLF-CHWSQXEVSA-N 1 0 195.350 3.332 10 0 AGAERO CC[C@H]1Cc2ccccc2[C@@H](CC)[NH2+]1 107847070 573669386 /nfs/dbraw/zinc/66/93/86/573669386.db2.gz LIVFJOKMRPSMNX-WCQYABFASA-N 1 0 189.302 3.062 10 0 AGAERO CC1(C)CCCC[C@H]1N1CCCC1=[NH2+] 86875953 573669409 /nfs/dbraw/zinc/66/94/09/573669409.db2.gz WAAVROCYBDDXRM-SNVBAGLBSA-N 1 0 194.322 3.028 10 0 AGAERO CC[C@@H]1CCCC(=C2CC[NH2+]CC2)C1 86880939 573669462 /nfs/dbraw/zinc/66/94/62/573669462.db2.gz QSFVJSDKBHPHCL-LLVKDONJSA-N 1 0 193.334 3.267 10 0 AGAERO C[C@H]1C/C(=C2/CCC[NH2+]C2)CC[C@H]1C 86881452 573669598 /nfs/dbraw/zinc/66/95/98/573669598.db2.gz YAICOAHCSWUXSM-WBMWQFGBSA-N 1 0 193.334 3.123 10 0 AGAERO CC[C@@H]1[NH2+][C@H](CC)Cc2ccccc21 107847062 573669617 /nfs/dbraw/zinc/66/96/17/573669617.db2.gz LIVFJOKMRPSMNX-YPMHNXCESA-N 1 0 189.302 3.062 10 0 AGAERO C[C@@H]1CC(=C2CC[NH2+]CC2)C[C@H](C)C1 86880857 573669631 /nfs/dbraw/zinc/66/96/31/573669631.db2.gz YJFOWFFHMUTBEU-PHIMTYICSA-N 1 0 193.334 3.123 10 0 AGAERO C[C@@H]1CC/C(=C2\CCC[NH2+]C2)C[C@H]1C 86881458 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ZDBDLOCROZKEOO-PHIMTYICSA-N 1 0 193.334 3.123 10 0 AGAERO CC(C)(C)CC=C1CCC([NH3+])CC1 86881624 573669875 /nfs/dbraw/zinc/66/98/75/573669875.db2.gz JQHBRWZHEKWLJR-UHFFFAOYSA-N 1 0 181.323 3.250 10 0 AGAERO CC1(C)CCC[C@H]1Nc1cc[nH+]cc1 86876179 573669896 /nfs/dbraw/zinc/66/98/96/573669896.db2.gz KKFGTPPTPLGEHI-LLVKDONJSA-N 1 0 190.290 3.072 10 0 AGAERO Cc1ccc(C)c([C@@H](C)C[NH3+])c1Cl 214923580 573673647 /nfs/dbraw/zinc/67/36/47/573673647.db2.gz CXUOSZQABFQCBY-VIFPVBQESA-N 1 0 197.709 3.019 10 0 AGAERO C[NH2+]Cc1cc(Cl)cc(C(C)C)c1 214921729 573669989 /nfs/dbraw/zinc/66/99/89/573669989.db2.gz XQPFMKSFLWMYAQ-UHFFFAOYSA-N 1 0 197.709 3.183 10 0 AGAERO CC1(C)CCC[C@@H]1N1CCCCC1=[NH2+] 86875936 573670035 /nfs/dbraw/zinc/67/00/35/573670035.db2.gz RXHJOJNUKBZCIC-JTQLQIEISA-N 1 0 194.322 3.028 10 0 AGAERO Cc1cc([C@H]([NH3+])CCC(C)(C)C)co1 126761358 573670094 /nfs/dbraw/zinc/67/00/94/573670094.db2.gz FRFSQAVBSYKWQH-LLVKDONJSA-N 1 0 195.306 3.414 10 0 AGAERO Cc1cc([C@@H]([NH3+])CCC(C)(C)C)co1 126761601 573670172 /nfs/dbraw/zinc/67/01/72/573670172.db2.gz FRFSQAVBSYKWQH-NSHDSACASA-N 1 0 195.306 3.414 10 0 AGAERO C[C@@H]1CC(=C2CC[NH2+]CC2)C[C@@H](C)C1 86880860 573670189 /nfs/dbraw/zinc/67/01/89/573670189.db2.gz YJFOWFFHMUTBEU-QWRGUYRKSA-N 1 0 193.334 3.123 10 0 AGAERO Cc1cc(C)c([C@@H](C)C[NH3+])c(Cl)c1 214923468 573670239 /nfs/dbraw/zinc/67/02/39/573670239.db2.gz RMCVHMIQUAADBX-VIFPVBQESA-N 1 0 197.709 3.019 10 0 AGAERO C[C@H]([NH2+][C@H]1CCCC1(C)C)C1(C)CC1 86872891 573670279 /nfs/dbraw/zinc/67/02/79/573670279.db2.gz CXHKQRIWNCWEII-QWRGUYRKSA-N 1 0 195.350 3.343 10 0 AGAERO CCCCC=C1CCC([NH3+])CC1 86881525 573670371 /nfs/dbraw/zinc/67/03/71/573670371.db2.gz XFJICUUQOUNGHE-UHFFFAOYSA-N 1 0 167.296 3.004 10 0 AGAERO Cc1ccc(C)c([C@H](C)C[NH3+])c1Cl 214923622 573670353 /nfs/dbraw/zinc/67/03/53/573670353.db2.gz CXUOSZQABFQCBY-SECBINFHSA-N 1 0 197.709 3.019 10 0 AGAERO [NH3+]C[C@H]1CCCC[C@H]1C1CCCCC1 83825129 573670430 /nfs/dbraw/zinc/67/04/30/573670430.db2.gz BDPROAKHYOHLLF-OLZOCXBDSA-N 1 0 195.350 3.332 10 0 AGAERO Cc1ccc([C@H]2CCCC[C@@H]2[NH3+])s1 83825387 573670441 /nfs/dbraw/zinc/67/04/41/573670441.db2.gz JRUWHVCYEULYGR-UWVGGRQHSA-N 1 0 195.331 3.041 10 0 AGAERO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C1(C)CC1 86872889 573670442 /nfs/dbraw/zinc/67/04/42/573670442.db2.gz CXHKQRIWNCWEII-GHMZBOCLSA-N 1 0 195.350 3.343 10 0 AGAERO Cc1cc(C(C)(C)[NH3+])c(C)cc1Cl 214924278 573670459 /nfs/dbraw/zinc/67/04/59/573670459.db2.gz CSYGJFCMILVHPW-UHFFFAOYSA-N 1 0 197.709 3.151 10 0 AGAERO CC[C@@H]1CCCCC1=C1CC[NH2+]CC1 86880960 573670586 /nfs/dbraw/zinc/67/05/86/573670586.db2.gz AZWBEHFQHFIRJT-LLVKDONJSA-N 1 0 193.334 3.267 10 0 AGAERO CC(C)c1cc(Cl)cc([C@@H](C)[NH3+])c1 214924694 573670614 /nfs/dbraw/zinc/67/06/14/573670614.db2.gz OEQNLHZUIQYCNM-MRVPVSSYSA-N 1 0 197.709 3.483 10 0 AGAERO C[C@H]1CC(=C2CC[NH2+]CC2)CC[C@H]1C 86881019 573670646 /nfs/dbraw/zinc/67/06/46/573670646.db2.gz NQXVOXAIHGCAOZ-MNOVXSKESA-N 1 0 193.334 3.123 10 0 AGAERO 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108256650 573703517 /nfs/dbraw/zinc/70/35/17/573703517.db2.gz GJQSAFWXQDEZCW-UHFFFAOYSA-N 1 0 193.290 3.134 10 0 AGAERO C[NH2+]C[C@H](C)[C@@H](C)[C@@H](C)CC(C)C 393552957 573703327 /nfs/dbraw/zinc/70/33/27/573703327.db2.gz IYKROSVKLRMUQE-SRVKXCTJSA-N 1 0 185.355 3.160 10 0 AGAERO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C(C)(C)C 308686537 573703364 /nfs/dbraw/zinc/70/33/64/573703364.db2.gz ZSSQQRJYBKSMKQ-MVWJERBFSA-N 1 0 195.350 3.199 10 0 AGAERO C[NH2+][C@H](CC1(C)CCCC1)[C@H]1C[C@@H]1C 308691712 573704864 /nfs/dbraw/zinc/70/48/64/573704864.db2.gz RRJSHTNWOQPYBF-SDDRHHMPSA-N 1 0 195.350 3.201 10 0 AGAERO CCCCCC=C=CCCC[NH3+] 215339703 573705075 /nfs/dbraw/zinc/70/50/75/573705075.db2.gz NYJQMCSFZRVIAY-UHFFFAOYSA-N 1 0 167.296 3.017 10 0 AGAERO CC[NH2+][C@H](CCC1CC1)c1ccco1 83938226 573705091 /nfs/dbraw/zinc/70/50/91/573705091.db2.gz SUJNKVWCCVCPAW-LLVKDONJSA-N 1 0 193.290 3.120 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]C)C(C)(C)C 126922612 573707991 /nfs/dbraw/zinc/70/79/91/573707991.db2.gz QWCKXHZJQBCZDD-UWVGGRQHSA-N 1 0 171.328 3.057 10 0 AGAERO C/C=C/CCC[NH2+]Cc1ccccc1 238010008 573708012 /nfs/dbraw/zinc/70/80/12/573708012.db2.gz RSWICVNILJHLIK-NSCUHMNNSA-N 1 0 189.302 3.133 10 0 AGAERO CCCCC[C@@H]1[NH2+]CC12CCCCC2 308687873 573707451 /nfs/dbraw/zinc/70/74/51/573707451.db2.gz QIFYLLMBCGSYIP-LBPRGKRZSA-N 1 0 195.350 3.489 10 0 AGAERO C1=C([C@@H]2CCC[NH2+]2)CCCCCC1 238013381 573707522 /nfs/dbraw/zinc/70/75/22/573707522.db2.gz CKZFPQHGFYJDDC-LBPRGKRZSA-N 1 0 179.307 3.019 10 0 AGAERO C[NH2+][C@H](CC1(C)CCCC1)[C@H]1C[C@H]1C 308691707 573707887 /nfs/dbraw/zinc/70/78/87/573707887.db2.gz RRJSHTNWOQPYBF-GRYCIOLGSA-N 1 0 195.350 3.201 10 0 AGAERO CCCC(=[NH2+])N[C@@H]1CCCCC[C@@H]1C 83950136 573707890 /nfs/dbraw/zinc/70/78/90/573707890.db2.gz ZDCPYBOOQOETGK-WDEREUQCSA-N 1 0 196.338 3.322 10 0 AGAERO C[NH2+][C@H](CC1(C)CCCC1)[C@@H]1C[C@@H]1C 308691711 573707918 /nfs/dbraw/zinc/70/79/18/573707918.db2.gz RRJSHTNWOQPYBF-QJPTWQEYSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@](F)(CCCC[NH3+])c1ccccc1 308688585 573708235 /nfs/dbraw/zinc/70/82/35/573708235.db2.gz QONWWTRKBZKFIJ-GFCCVEGCSA-N 1 0 195.281 3.000 10 0 AGAERO F[C@H](C1CCCC1)[C@@H]1CCCCC[NH2+]1 257850041 573708608 /nfs/dbraw/zinc/70/86/08/573708608.db2.gz MKEIIWBABKTMPM-NWDGAFQWSA-N 1 0 199.313 3.047 10 0 AGAERO CCC[C@@H](C)[C@@H]([NH2+]C)C(C)(C)C 126922863 573708667 /nfs/dbraw/zinc/70/86/67/573708667.db2.gz QWCKXHZJQBCZDD-NXEZZACHSA-N 1 0 171.328 3.057 10 0 AGAERO CCc1ccc(C(C)(C)[NH3+])cc1CC 258100880 573708899 /nfs/dbraw/zinc/70/88/99/573708899.db2.gz OSMYTNOTDOENMY-UHFFFAOYSA-N 1 0 191.318 3.005 10 0 AGAERO CCCC1(C[NH2+][C@@H](C)C2(C)CC2)CC1 130777022 573708968 /nfs/dbraw/zinc/70/89/68/573708968.db2.gz CCQCMZYWRYCJLF-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO Cc1cccc2cccc([C@H](C)C[NH3+])c12 257850119 573709223 /nfs/dbraw/zinc/70/92/23/573709223.db2.gz MMVDDDYYKCSRGU-LLVKDONJSA-N 1 0 199.297 3.210 10 0 AGAERO CCCCC[C@H]1[NH2+]CC12CCCCC2 308687869 573709265 /nfs/dbraw/zinc/70/92/65/573709265.db2.gz QIFYLLMBCGSYIP-GFCCVEGCSA-N 1 0 195.350 3.489 10 0 AGAERO CCCc1nc2cc(CC)ccc2[nH]1 124935901 573709395 /nfs/dbraw/zinc/70/93/95/573709395.db2.gz QVPVXZQUOYZGTC-UHFFFAOYSA-N 1 0 188.274 3.078 10 0 AGAERO C[C@H]1CCCCC[C@@H]1N1CCCC1=[NH2+] 83949472 573709572 /nfs/dbraw/zinc/70/95/72/573709572.db2.gz DEKMMARGUWSIOP-QWRGUYRKSA-N 1 0 194.322 3.028 10 0 AGAERO CC(C)C(=[NH2+])N[C@H]1CCCCC[C@@H]1C 83950143 573709646 /nfs/dbraw/zinc/70/96/46/573709646.db2.gz DYOYNDPWFQSASU-QWRGUYRKSA-N 1 0 196.338 3.178 10 0 AGAERO CCC[C@H](C)[C@@H]([NH2+]C)C(C)(C)C 126923116 573709733 /nfs/dbraw/zinc/70/97/33/573709733.db2.gz QWCKXHZJQBCZDD-VHSXEESVSA-N 1 0 171.328 3.057 10 0 AGAERO CC1CC([NH2+]CCC2(C)CCCC2)C1 308692582 573710234 /nfs/dbraw/zinc/71/02/34/573710234.db2.gz RXHXFXFXDDRNMQ-UHFFFAOYSA-N 1 0 195.350 3.345 10 0 AGAERO C[C@H]1CCCC[NH2+][C@@H]1c1ccccc1 238492691 573712065 /nfs/dbraw/zinc/71/20/65/573712065.db2.gz IQJMCEXAOKDQGA-AAEUAGOBSA-N 1 0 189.302 3.137 10 0 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PFMFYQCSKKCDTG-UHFFFAOYSA-N 1 0 191.318 3.005 10 0 AGAERO C[C@H]1CC=C(C[NH2+]C2CCCC2)[C@H]1C 238488416 573727651 /nfs/dbraw/zinc/72/76/51/573727651.db2.gz DBGGRPCATVTLHI-QWRGUYRKSA-N 1 0 193.334 3.121 10 0 AGAERO Cc1ccc2ccc(C(C)(C)[NH3+])cc2c1 257858222 573726267 /nfs/dbraw/zinc/72/62/67/573726267.db2.gz OCZTVRAZNWBPLV-UHFFFAOYSA-N 1 0 199.297 3.342 10 0 AGAERO Cc1coc([C@H]([NH3+])[C@@H](C)C2CCC2)c1 716121509 573726986 /nfs/dbraw/zinc/72/69/86/573726986.db2.gz AMEVPTOSBWLSGQ-JOYOIKCWSA-N 1 0 193.290 3.024 10 0 AGAERO Cc1coc([C@@H]([NH3+])[C@H](C)C2CCC2)c1 716121511 573727141 /nfs/dbraw/zinc/72/71/41/573727141.db2.gz AMEVPTOSBWLSGQ-SKDRFNHKSA-N 1 0 193.290 3.024 10 0 AGAERO C[C@H]1CCCCCCCCC[NH2+]C1 238487324 573730324 /nfs/dbraw/zinc/73/03/24/573730324.db2.gz NYDAMIKVAFQXQN-LBPRGKRZSA-N 1 0 183.339 3.347 10 0 AGAERO [NH3+][C@H]1CC[C@@H](C2CCCCC2)CC1 144831408 573728628 /nfs/dbraw/zinc/72/86/28/573728628.db2.gz HUCGKSXUGYWDMJ-HAQNSBGRSA-N 1 0 181.323 3.084 10 0 AGAERO C1=C([NH2+]C2CCCCC2)[C@@H]2CC[C@H]1C2 238059286 573729139 /nfs/dbraw/zinc/72/91/39/573729139.db2.gz CQLNNZFXSBBVGK-WDEREUQCSA-N 1 0 191.318 3.223 10 0 AGAERO CCC(C)(C)[C@@H]([NH2+]C)C(C)(C)C 126947799 573729155 /nfs/dbraw/zinc/72/91/55/573729155.db2.gz IETHZAICTJBDHL-VIFPVBQESA-N 1 0 171.328 3.057 10 0 AGAERO Cc1ccc2ccc([C@@H](C)C[NH3+])cc2c1 257852783 573729384 /nfs/dbraw/zinc/72/93/84/573729384.db2.gz NARJYLXBNHCKSU-NSHDSACASA-N 1 0 199.297 3.210 10 0 AGAERO C/C(=C/CC1CCCC1)CCC[NH3+] 393557413 573729624 /nfs/dbraw/zinc/72/96/24/573729624.db2.gz RUDZVDFWEBXEKE-FLIBITNWSA-N 1 0 181.323 3.252 10 0 AGAERO Cc1coc([C@@H]([NH3+])[C@@H](C)C2CCC2)c1 716121506 573729654 /nfs/dbraw/zinc/72/96/54/573729654.db2.gz AMEVPTOSBWLSGQ-CABZTGNLSA-N 1 0 193.290 3.024 10 0 AGAERO Cc1coc([C@H]([NH3+])[C@H](C)C2CCC2)c1 716121497 573729830 /nfs/dbraw/zinc/72/98/30/573729830.db2.gz AMEVPTOSBWLSGQ-BXKDBHETSA-N 1 0 193.290 3.024 10 0 AGAERO Cc1cc(Cl)ccc1[C@H](C)CC[NH3+] 83983626 573729838 /nfs/dbraw/zinc/72/98/38/573729838.db2.gz MZHCVFLCJNJZJF-MRVPVSSYSA-N 1 0 197.709 3.101 10 0 AGAERO CCC[NH2+]C/C(=C/c1ccco1)CC 211827115 573729915 /nfs/dbraw/zinc/72/99/15/573729915.db2.gz BSGAXKZIVBWPAS-PKNBQFBNSA-N 1 0 193.290 3.073 10 0 AGAERO CCCC1(/C=C/C[NH2+]CC)CCC1 686125938 573730054 /nfs/dbraw/zinc/73/00/54/573730054.db2.gz KXXBVOCSNXTLCJ-UXBLZVDNSA-N 1 0 181.323 3.123 10 0 AGAERO C[C@H]1CC=CC[C@H](c2ccccc2)[NH2+]1 238489054 573732817 /nfs/dbraw/zinc/73/28/17/573732817.db2.gz ATGAJWMLEBXZHV-WCQYABFASA-N 1 0 187.286 3.056 10 0 AGAERO C/C=C\C[C@]1(C[NH3+])CC[C@H](CC)C1 393559150 573732946 /nfs/dbraw/zinc/73/29/46/573732946.db2.gz WQGLSLZSJIKGQG-OPUZMVJGSA-N 1 0 181.323 3.108 10 0 AGAERO C/C=C/C[C@]1(C[NH3+])CC[C@@H](CC)C1 393559147 573733465 /nfs/dbraw/zinc/73/34/65/573733465.db2.gz WQGLSLZSJIKGQG-CHULQOHASA-N 1 0 181.323 3.108 10 0 AGAERO CC[C@@]1(CC2CCC2)CCCC[NH2+]1 258109568 573733687 /nfs/dbraw/zinc/73/36/87/573733687.db2.gz YTOVAWMUFCGICQ-LBPRGKRZSA-N 1 0 181.323 3.099 10 0 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CC(C)(C)[N@@H+]1CCC[C@@H]1[Si](C)(C)C 238090347 573764422 /nfs/dbraw/zinc/76/44/22/573764422.db2.gz JUKSTAZJEPWZQA-JTQLQIEISA-N 1 0 199.414 3.127 10 0 AGAERO CC[NH2+][C@@H](C=C(C)C)c1ccc(C)o1 131126923 573766354 /nfs/dbraw/zinc/76/63/54/573766354.db2.gz BEANEZDFGMQKAQ-NSHDSACASA-N 1 0 193.290 3.205 10 0 AGAERO C[C@H](F)c1c(F)cccc1C(C)(C)[NH3+] 258124219 573764806 /nfs/dbraw/zinc/76/48/06/573764806.db2.gz MKZPUXDIIOLCDO-ZETCQYMHSA-N 1 0 199.244 3.050 10 0 AGAERO CCCCCC[C@@H]([NH3+])C=C(C)C 131125857 573765060 /nfs/dbraw/zinc/76/50/60/573765060.db2.gz QUOSACFSOCNYHO-LLVKDONJSA-N 1 0 169.312 3.250 10 0 AGAERO CCCC[C@@H](CC)[C@@H]([NH3+])C=C(C)C 131015509 573765432 /nfs/dbraw/zinc/76/54/32/573765432.db2.gz QRBXNXJTFSEVHR-NEPJUHHUSA-N 1 0 183.339 3.496 10 0 AGAERO CSC(=[NH2+])c1cc(C)c(C)cc1C 259177698 573765723 /nfs/dbraw/zinc/76/57/23/573765723.db2.gz LXVZPTCRJTWGJV-UHFFFAOYSA-N 1 0 193.315 3.300 10 0 AGAERO CCCC[C@@H](CC)[C@H]([NH3+])C=C(C)C 131015102 573766772 /nfs/dbraw/zinc/76/67/72/573766772.db2.gz QRBXNXJTFSEVHR-VXGBXAGGSA-N 1 0 183.339 3.496 10 0 AGAERO CCC1(C[NH2+]CC2(C)CCCC2)CC1 308712928 573769275 /nfs/dbraw/zinc/76/92/75/573769275.db2.gz ZUULNAZFGONURD-UHFFFAOYSA-N 1 0 195.350 3.347 10 0 AGAERO CC[NH2+][C@@H](C=C(C)C)c1coc(C)c1 131142842 573768766 /nfs/dbraw/zinc/76/87/66/573768766.db2.gz YMXIHLOQSNZIRY-LBPRGKRZSA-N 1 0 193.290 3.205 10 0 AGAERO CCC[C@H]1C[C@@H]1[NH2+]CC1(C)CCCC1 308712859 573771108 /nfs/dbraw/zinc/77/11/08/573771108.db2.gz ZSBDISWAQHIJQT-RYUDHWBXSA-N 1 0 195.350 3.345 10 0 AGAERO C1CCC2(CC1)C[NH2+]C21CCCCC1 238099930 573771308 /nfs/dbraw/zinc/77/13/08/573771308.db2.gz XZCHUBSYYKHWMY-UHFFFAOYSA-N 1 0 193.334 3.243 10 0 AGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]1CC 308718515 573772382 /nfs/dbraw/zinc/77/23/82/573772382.db2.gz CFJARGUAYRDTFA-RNJOBUHISA-N 1 0 195.350 3.343 10 0 AGAERO CCC1(C[NH2+][C@@H]2CC[C@H]2C(C)C)CC1 308715238 573772253 /nfs/dbraw/zinc/77/22/53/573772253.db2.gz AXAHTWLLGNUAGP-NWDGAFQWSA-N 1 0 195.350 3.201 10 0 AGAERO Cc1cc(C)c([C@H]2C[C@H](C)[NH2+]2)cc1C 259181102 573771898 /nfs/dbraw/zinc/77/18/98/573771898.db2.gz MCQBRIKQFPZHJN-WCQYABFASA-N 1 0 189.302 3.035 10 0 AGAERO CCC1CC([NH2+]C[C@H]2CC[C@H](C)C2)C1 308719130 573771955 /nfs/dbraw/zinc/77/19/55/573771955.db2.gz CLALJHQTRQHYAJ-QCXCNERSSA-N 1 0 195.350 3.201 10 0 AGAERO CCC1(C[NH2+][C@H]2CC[C@H]2C(C)C)CC1 308715239 573772014 /nfs/dbraw/zinc/77/20/14/573772014.db2.gz AXAHTWLLGNUAGP-RYUDHWBXSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@]12CCCC[C@]1(C)CC[C@H]([NH3+])C2 238510243 573772024 /nfs/dbraw/zinc/77/20/24/573772024.db2.gz DWNFXRRVVBMTNX-TUAOUCFPSA-N 1 0 181.323 3.084 10 0 AGAERO C[NH2+][C@@H](C)C[C@@H](F)c1ccc(C)cc1 257875324 573772078 /nfs/dbraw/zinc/77/20/78/573772078.db2.gz UKDJOGZOTNRYKL-CMPLNLGQSA-N 1 0 195.281 3.004 10 0 AGAERO Cc1cc(C)c([C@H]2C[C@@H](C)[NH2+]2)cc1C 259181099 573772336 /nfs/dbraw/zinc/77/23/36/573772336.db2.gz MCQBRIKQFPZHJN-DGCLKSJQSA-N 1 0 189.302 3.035 10 0 AGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1CC 308718505 573774053 /nfs/dbraw/zinc/77/40/53/573774053.db2.gz CFJARGUAYRDTFA-FVCCEPFGSA-N 1 0 195.350 3.343 10 0 AGAERO C1CCC2(CC1)C[NH2+]CC1(CCC1)C2 238101345 573774064 /nfs/dbraw/zinc/77/40/64/573774064.db2.gz RVCMMZLRWMYESC-UHFFFAOYSA-N 1 0 193.334 3.101 10 0 AGAERO Cc1cc(C)c([C@@H]2C[C@@H](C)[NH2+]2)cc1C 259181106 573775834 /nfs/dbraw/zinc/77/58/34/573775834.db2.gz MCQBRIKQFPZHJN-YPMHNXCESA-N 1 0 189.302 3.035 10 0 AGAERO C[NH2+][C@H](C)C[C@@H](F)c1ccc(C)cc1 257875337 573775753 /nfs/dbraw/zinc/77/57/53/573775753.db2.gz UKDJOGZOTNRYKL-ZYHUDNBSSA-N 1 0 195.281 3.004 10 0 AGAERO CC(C)=C[C@H]([NH3+])CCC1CCCC1 131162390 573776233 /nfs/dbraw/zinc/77/62/33/573776233.db2.gz PZPLHLBPGNFAQW-GFCCVEGCSA-N 1 0 181.323 3.250 10 0 AGAERO CCC1CC([NH2+]C[C@@H]2CC[C@@H](C)C2)C1 308719127 573776163 /nfs/dbraw/zinc/77/61/63/573776163.db2.gz CLALJHQTRQHYAJ-CQLXCSJHSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@H]2CCC[C@H]21 238106640 573777368 /nfs/dbraw/zinc/77/73/68/573777368.db2.gz QFGUQVCLKMNVRX-GRYCIOLGSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@H]1CCCN1C(=[NH2+])C(C)(C)C 84128314 573778016 /nfs/dbraw/zinc/77/80/16/573778016.db2.gz UMSZXBRUSKREDC-SNVBAGLBSA-N 1 0 196.338 3.130 10 0 AGAERO C[C@@]1(C2CCCCCC2)[NH2+]CC[C@@H]1F 258118009 573779301 /nfs/dbraw/zinc/77/93/01/573779301.db2.gz PHFJEUWYXCGGEP-RYUDHWBXSA-N 1 0 199.313 3.047 10 0 AGAERO CC1(F)CC([NH3+])(C2CCCCCC2)C1 258117912 573779390 /nfs/dbraw/zinc/77/93/90/573779390.db2.gz PFTUQZXKNRVHJR-UHFFFAOYSA-N 1 0 199.313 3.176 10 0 AGAERO C[C@@]1(C2CCCCCC2)[NH2+]CC[C@H]1F 258118005 573779417 /nfs/dbraw/zinc/77/94/17/573779417.db2.gz PHFJEUWYXCGGEP-NEPJUHHUSA-N 1 0 199.313 3.047 10 0 AGAERO C[C@]12CCCC[C@]1(C)C[C@@H]([NH3+])CC2 238512479 573779437 /nfs/dbraw/zinc/77/94/37/573779437.db2.gz DWNFXRRVVBMTNX-QJPTWQEYSA-N 1 0 181.323 3.084 10 0 AGAERO CCC[C@@H](C)[C@H](C=C(C)C)[NH2+]CC 131179748 573779600 /nfs/dbraw/zinc/77/96/00/573779600.db2.gz WJUHBWBBDVPGKU-NEPJUHHUSA-N 1 0 183.339 3.367 10 0 AGAERO CC[NH2+][C@@H](c1ccoc1)C(C)(C)CC 127161630 573779856 /nfs/dbraw/zinc/77/98/56/573779856.db2.gz QFQURQCPARWFRQ-NSHDSACASA-N 1 0 195.306 3.366 10 0 AGAERO CCc1ccc([C@@H](C=C(C)C)[NH2+]C)o1 131184031 573779870 /nfs/dbraw/zinc/77/98/70/573779870.db2.gz WTUFMBDJWYIXBK-LLVKDONJSA-N 1 0 193.290 3.069 10 0 AGAERO C[C@]1(C2CCCCCC2)[NH2+]CC[C@@H]1F 258118007 573780118 /nfs/dbraw/zinc/78/01/18/573780118.db2.gz PHFJEUWYXCGGEP-NWDGAFQWSA-N 1 0 199.313 3.047 10 0 AGAERO CCc1ccc([C@H](C=C(C)C)[NH2+]C)o1 131184222 573780347 /nfs/dbraw/zinc/78/03/47/573780347.db2.gz WTUFMBDJWYIXBK-NSHDSACASA-N 1 0 193.290 3.069 10 0 AGAERO C[C@H](C[C@@H]([NH3+])c1ccoc1)C(C)(C)C 127163045 573780673 /nfs/dbraw/zinc/78/06/73/573780673.db2.gz JCPVAJJOJMRIFX-MWLCHTKSSA-N 1 0 195.306 3.352 10 0 AGAERO Cc1cccc2c(C(C)(C)[NH3+])cccc12 257875972 573780790 /nfs/dbraw/zinc/78/07/90/573780790.db2.gz RDXYZHHTIPHNFF-UHFFFAOYSA-N 1 0 199.297 3.342 10 0 AGAERO C[C@H](C[C@H]([NH3+])c1ccoc1)C(C)(C)C 127162596 573780894 /nfs/dbraw/zinc/78/08/94/573780894.db2.gz JCPVAJJOJMRIFX-KOLCDFICSA-N 1 0 195.306 3.352 10 0 AGAERO Cc1cccc2ccc([C@@H](C)[NH3+])cc12 108370590 573782836 /nfs/dbraw/zinc/78/28/36/573782836.db2.gz VSUIJFBEVSOGSD-SNVBAGLBSA-N 1 0 185.270 3.168 10 0 AGAERO CCC[C@H](CC)[NH2+]C[C@@H]1C[C@@H]1C1CC1 308740559 573782733 /nfs/dbraw/zinc/78/27/33/573782733.db2.gz OLXINJYKFPNFLQ-RWMBFGLXSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H](C[C@H]([NH3+])c1ccoc1)C(C)(C)C 127162367 573782923 /nfs/dbraw/zinc/78/29/23/573782923.db2.gz JCPVAJJOJMRIFX-ONGXEEELSA-N 1 0 195.306 3.352 10 0 AGAERO CC(C)c1ccc([C@]2(C)CC[NH2+]2)cc1 84178882 573784630 /nfs/dbraw/zinc/78/46/30/573784630.db2.gz LQEDWIPHMIXFJS-ZDUSSCGKSA-N 1 0 189.302 3.019 10 0 AGAERO CC1=[NH+]c2ccccc2NC(C)=C1C 238503756 573784692 /nfs/dbraw/zinc/78/46/92/573784692.db2.gz PCUKUDFIEJUUFZ-UHFFFAOYSA-N 1 0 186.258 3.498 10 0 AGAERO Cc1ccc2ccc([C@H](C)[NH3+])cc2c1 108370582 573784763 /nfs/dbraw/zinc/78/47/63/573784763.db2.gz HXTPCXFCWTUMAF-JTQLQIEISA-N 1 0 185.270 3.168 10 0 AGAERO CC(C)c1ccc(/C=C\[C@H](C)[NH3+])cc1 308432405 573784857 /nfs/dbraw/zinc/78/48/57/573784857.db2.gz FYIDVOHMTYNULH-WYGGZMRJSA-N 1 0 189.302 3.170 10 0 AGAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@H]1C1CC1 308741617 573785021 /nfs/dbraw/zinc/78/50/21/573785021.db2.gz PCWXTTIJERGVFS-DJIHRAIXSA-N 1 0 195.350 3.057 10 0 AGAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccoc1 127197830 573785202 /nfs/dbraw/zinc/78/52/02/573785202.db2.gz ZUHLWCNZGUBIDU-JQWIXIFHSA-N 1 0 195.306 3.366 10 0 AGAERO CCC1([NH2+][C@H]2CC[C@H]2C(C)C)CCC1 308742010 573785647 /nfs/dbraw/zinc/78/56/47/573785647.db2.gz PHQCKRPPIFENEH-RYUDHWBXSA-N 1 0 195.350 3.343 10 0 AGAERO CCC1([NH2+][C@@H]2CC[C@H]2C(C)C)CCC1 308742009 573785780 /nfs/dbraw/zinc/78/57/80/573785780.db2.gz PHQCKRPPIFENEH-NWDGAFQWSA-N 1 0 195.350 3.343 10 0 AGAERO CCC[C@H]1CCC[C@]2(CC[NH2+]2)CC1 84179051 573786223 /nfs/dbraw/zinc/78/62/23/573786223.db2.gz RQLLEMYRGIGBDE-NWDGAFQWSA-N 1 0 181.323 3.099 10 0 AGAERO CCC[C@@H]1CCC[C@@]2(CC[NH2+]2)CC1 84179052 573787902 /nfs/dbraw/zinc/78/79/02/573787902.db2.gz RQLLEMYRGIGBDE-NEPJUHHUSA-N 1 0 181.323 3.099 10 0 AGAERO CC(C)(C)[C@@H]1CCC[C@]2(CC[NH2+]2)CC1 84178925 573788177 /nfs/dbraw/zinc/78/81/77/573788177.db2.gz XWSVAFPCCGZBLP-DGCLKSJQSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccoc1 127198278 573788207 /nfs/dbraw/zinc/78/82/07/573788207.db2.gz ZUHLWCNZGUBIDU-CMPLNLGQSA-N 1 0 195.306 3.366 10 0 AGAERO CC[NH2+][C@@H](C=C(C)C)C(C)(C)CC 131106253 573788666 /nfs/dbraw/zinc/78/86/66/573788666.db2.gz PFCFWPRLSNRVJQ-NSHDSACASA-N 1 0 183.339 3.367 10 0 AGAERO [NH3+][C@H](CCC1CCCC1)c1ccoc1 127189200 573788681 /nfs/dbraw/zinc/78/86/81/573788681.db2.gz ROBSRAIUNQWLOR-GFCCVEGCSA-N 1 0 193.290 3.250 10 0 AGAERO CC(C)(C)[C@H]1CCC[C@]2(CC[NH2+]2)CC1 84178926 573788704 /nfs/dbraw/zinc/78/87/04/573788704.db2.gz XWSVAFPCCGZBLP-WCQYABFASA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C(C)C 308720464 573788742 /nfs/dbraw/zinc/78/87/42/573788742.db2.gz DABOHEBQTKIEIN-AVGNSLFASA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)(C)[C@H]1CCC[C@@]2(CC[NH2+]2)CC1 84178928 573788748 /nfs/dbraw/zinc/78/87/48/573788748.db2.gz XWSVAFPCCGZBLP-AAEUAGOBSA-N 1 0 195.350 3.345 10 0 AGAERO CCCCC[C@](C)(C[NH3+])C(C)C 127196064 573788795 /nfs/dbraw/zinc/78/87/95/573788795.db2.gz RUEUWCKNNYCWCO-LLVKDONJSA-N 1 0 171.328 3.188 10 0 AGAERO CCC[C@H]1CCC[C@@]2(CC[NH2+]2)CC1 84179053 573788842 /nfs/dbraw/zinc/78/88/42/573788842.db2.gz RQLLEMYRGIGBDE-RYUDHWBXSA-N 1 0 181.323 3.099 10 0 AGAERO CC(C)=C[C@H]([NH3+])C[C@@H](C)C(C)(C)C 131108437 573789060 /nfs/dbraw/zinc/78/90/60/573789060.db2.gz PQQNPZBRJGMMGW-MNOVXSKESA-N 1 0 183.339 3.352 10 0 AGAERO CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C(C)C 308720462 573789278 /nfs/dbraw/zinc/78/92/78/573789278.db2.gz DABOHEBQTKIEIN-AGIUHOORSA-N 1 0 195.350 3.199 10 0 AGAERO CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C(C)C 308720468 573789312 /nfs/dbraw/zinc/78/93/12/573789312.db2.gz DABOHEBQTKIEIN-RWMBFGLXSA-N 1 0 195.350 3.199 10 0 AGAERO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C(C)C 308720466 573789711 /nfs/dbraw/zinc/78/97/11/573789711.db2.gz DABOHEBQTKIEIN-FRRDWIJNSA-N 1 0 195.350 3.199 10 0 AGAERO CC[NH2+][C@@H](C)/C(C)=C\c1ccccc1 308434449 573789986 /nfs/dbraw/zinc/78/99/86/573789986.db2.gz IANIRCSCIRAPQP-WEHUKYGOSA-N 1 0 189.302 3.088 10 0 AGAERO CC(C)=C[C@@H]([NH3+])C[C@@H](C)C(C)(C)C 131108014 573790406 /nfs/dbraw/zinc/79/04/06/573790406.db2.gz PQQNPZBRJGMMGW-GHMZBOCLSA-N 1 0 183.339 3.352 10 0 AGAERO CCC[C@@H](C)[C@@H]([NH3+])CC1CCCC1 126445903 573790762 /nfs/dbraw/zinc/79/07/62/573790762.db2.gz UMSNEKGZUHYAQR-PWSUYJOCSA-N 1 0 183.339 3.330 10 0 AGAERO CC[NH2+][C@H](C)/C(C)=C\c1ccccc1 308434448 573790764 /nfs/dbraw/zinc/79/07/64/573790764.db2.gz IANIRCSCIRAPQP-NLYDNYMLSA-N 1 0 189.302 3.088 10 0 AGAERO CC[NH2+]C[C@](C)(CC(C)C)C(C)C 127211923 573790922 /nfs/dbraw/zinc/79/09/22/573790922.db2.gz MCAGJHWULGRRTG-LBPRGKRZSA-N 1 0 185.355 3.304 10 0 AGAERO 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181.279 3.039 10 0 AGAERO CSc1cc(C)c(C)cc1[C@H](C)[NH3+] 258158095 573844851 /nfs/dbraw/zinc/84/48/51/573844851.db2.gz UWQXFTFFHIAREX-VIFPVBQESA-N 1 0 195.331 3.045 10 0 AGAERO CCC(CC)[C@@H]([NH3+])c1ccc(C)o1 43609628 573844937 /nfs/dbraw/zinc/84/49/37/573844937.db2.gz FPTPSYAULDONKI-LLVKDONJSA-N 1 0 181.279 3.024 10 0 AGAERO C[C@H]([NH2+]CCC1=CCCC1)C1(C)CC1 131358547 573845028 /nfs/dbraw/zinc/84/50/28/573845028.db2.gz VCAZIUXQLIPAGV-NSHDSACASA-N 1 0 193.334 3.265 10 0 AGAERO C[C@H](CC[NH3+])c1cccc2ccccc12 43559413 573845217 /nfs/dbraw/zinc/84/52/17/573845217.db2.gz XEJAFKLDHNFMEC-LLVKDONJSA-N 1 0 199.297 3.292 10 0 AGAERO CCC[NH2+][C@@H](CC)c1ccc(C)o1 43610998 573845374 /nfs/dbraw/zinc/84/53/74/573845374.db2.gz MHLMMPBEDOJFMN-JTQLQIEISA-N 1 0 181.279 3.039 10 0 AGAERO CCCCC[C@H]([NH2+]C)c1ccc(C)o1 43610515 573845715 /nfs/dbraw/zinc/84/57/15/573845715.db2.gz SGYQCADZSJXNBD-NSHDSACASA-N 1 0 195.306 3.429 10 0 AGAERO C1=C[C@H]([NH2+]CC2CCC2)CCCCC1 308452416 573845406 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/nfs/dbraw/zinc/85/05/31/573850531.db2.gz BFUNVCCMKLDXKF-DWOQACPDSA-N 1 0 195.350 3.496 10 0 AGAERO C(\CC1CCCC1)=C1\CCC[NH2+]CC1 308454595 573852529 /nfs/dbraw/zinc/85/25/29/573852529.db2.gz QORWWKWTAQXULS-MDWZMJQESA-N 1 0 193.334 3.267 10 0 AGAERO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]CCC2 238152651 573851412 /nfs/dbraw/zinc/85/14/12/573851412.db2.gz MXTSUIRHBISOMP-LLVKDONJSA-N 1 0 193.334 3.470 10 0 AGAERO CC[NH2+]C/C(=C/C1(C)CCC1)CC 686132845 573851730 /nfs/dbraw/zinc/85/17/30/573851730.db2.gz MPEANFBTFBKOFU-PKNBQFBNSA-N 1 0 181.323 3.123 10 0 AGAERO CC(C)(C)[C@@H](CC[NH3+])c1cccs1 11629642 573851839 /nfs/dbraw/zinc/85/18/39/573851839.db2.gz IXYXFSIVLWZBPE-VIFPVBQESA-N 1 0 197.347 3.227 10 0 AGAERO CCC[C@H]1CCCCC[C@H]1[NH2+]CC 43651080 573852252 /nfs/dbraw/zinc/85/22/52/573852252.db2.gz BBXFIYRRWREVEU-NWDGAFQWSA-N 1 0 183.339 3.345 10 0 AGAERO CCCCC[C@@H]1CCCCC[C@@H]1[NH3+] 43650416 573852347 /nfs/dbraw/zinc/85/23/47/573852347.db2.gz DJUAYVHNWVBOMV-NEPJUHHUSA-N 1 0 183.339 3.474 10 0 AGAERO CC1(C)C=CC[C@H](c2ccccc2)[NH2+]1 238172727 573853740 /nfs/dbraw/zinc/85/37/40/573853740.db2.gz NBSAAPPLOOSEPC-GFCCVEGCSA-N 1 0 187.286 3.056 10 0 AGAERO C/C(=C/C1CCC(C)(C)CC1)[C@H](C)[NH3+] 308454775 573853764 /nfs/dbraw/zinc/85/37/64/573853764.db2.gz BFUNVCCMKLDXKF-JUDLJHIGSA-N 1 0 195.350 3.496 10 0 AGAERO CCCC[C@H]1CCCCC[C@@H]1[NH2+]C 43650903 573853828 /nfs/dbraw/zinc/85/38/28/573853828.db2.gz HQPJBIOOFAJYIK-RYUDHWBXSA-N 1 0 183.339 3.345 10 0 AGAERO CCC[C@H]([NH3+])C(C1CCC1)C1CCC1 308453886 573853930 /nfs/dbraw/zinc/85/39/30/573853930.db2.gz DBVCGWCAAFSORM-LBPRGKRZSA-N 1 0 195.350 3.330 10 0 AGAERO CC1(C)C[NH2+]CC/C1=C\C1CCCC1 308454345 573854047 /nfs/dbraw/zinc/85/40/47/573854047.db2.gz JLBXLKVFFWDAML-FMIVXFBMSA-N 1 0 193.334 3.123 10 0 AGAERO CC[C@@H](C)[C@H]([NH2+]C)c1cc(C)oc1C 43611742 573854264 /nfs/dbraw/zinc/85/42/64/573854264.db2.gz SVYPGBMNMDGXJG-PELKAZGASA-N 1 0 195.306 3.203 10 0 AGAERO CC[C@@H](C)[C@@H]([NH2+]C)c1cc(C)oc1C 43611747 573855471 /nfs/dbraw/zinc/85/54/71/573855471.db2.gz SVYPGBMNMDGXJG-PRHODGIISA-N 1 0 195.306 3.203 10 0 AGAERO CCCC[C@@H]1CCCCC[C@@H]1[NH2+]C 43650902 573855822 /nfs/dbraw/zinc/85/58/22/573855822.db2.gz HQPJBIOOFAJYIK-NEPJUHHUSA-N 1 0 183.339 3.345 10 0 AGAERO CCC[NH2+][C@@H](c1ccco1)[C@@H](C)CC 43608512 573857967 /nfs/dbraw/zinc/85/79/67/573857967.db2.gz RGWVIKGUTVWGEH-CMPLNLGQSA-N 1 0 195.306 3.366 10 0 AGAERO CCC[NH2+][C@@H](CCC)c1ccco1 43608531 573859505 /nfs/dbraw/zinc/85/95/05/573859505.db2.gz IKZSRQDIIKRFDM-JTQLQIEISA-N 1 0 181.279 3.120 10 0 AGAERO CCCCC[C@H]1C[C@@H](C)CC[C@@H]1[NH3+] 43652565 573859655 /nfs/dbraw/zinc/85/96/55/573859655.db2.gz NXUHWGQGYYGAAI-SRVKXCTJSA-N 1 0 183.339 3.330 10 0 AGAERO CCCC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C 43653080 573859668 /nfs/dbraw/zinc/85/96/68/573859668.db2.gz ONXOTUWUWIRQET-TUAOUCFPSA-N 1 0 183.339 3.201 10 0 AGAERO CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] 43654465 573859703 /nfs/dbraw/zinc/85/97/03/573859703.db2.gz SCQOTLMMKUYYHY-TUAOUCFPSA-N 1 0 183.339 3.330 10 0 AGAERO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1C 43654903 573859738 /nfs/dbraw/zinc/85/97/38/573859738.db2.gz XXHMISPXFDWDKT-QJPTWQEYSA-N 1 0 183.339 3.201 10 0 AGAERO CCCCC[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 43652562 573860243 /nfs/dbraw/zinc/86/02/43/573860243.db2.gz NXUHWGQGYYGAAI-UTUOFQBUSA-N 1 0 183.339 3.330 10 0 AGAERO Cc1cc(C)c([C@H]([NH3+])CC(C)(C)C)[nH]1 238547007 573862437 /nfs/dbraw/zinc/86/24/37/573862437.db2.gz YKCLQRADEGULOE-SNVBAGLBSA-N 1 0 194.322 3.068 10 0 AGAERO CCC[C@@H]([NH2+][C@@H](C)C1CCC1)C1CC1 131500555 573862473 /nfs/dbraw/zinc/86/24/73/573862473.db2.gz ZOJVCNSDPPUFAZ-GXFFZTMASA-N 1 0 195.350 3.343 10 0 AGAERO Cc1ccc([C@H]([NH3+])[C@@H](C)CC(C)C)o1 308458264 573862843 /nfs/dbraw/zinc/86/28/43/573862843.db2.gz FNMPKTKZBJAOJS-JOYOIKCWSA-N 1 0 195.306 3.270 10 0 AGAERO CCCCC[C@@H](C)[C@H]([NH3+])CCC 211737690 573862851 /nfs/dbraw/zinc/86/28/51/573862851.db2.gz QKVWVVUAEMELND-GHMZBOCLSA-N 1 0 171.328 3.330 10 0 AGAERO CCC1([C@@H]2[NH2+]CC[C@@H](C)S2)CCC1 686129214 573862933 /nfs/dbraw/zinc/86/29/33/573862933.db2.gz QYEKACGRPYSXKE-NXEZZACHSA-N 1 0 199.363 3.008 10 0 AGAERO C[NH2+][C@H](C1CCCC1)[C@H](C)CC(C)C 308458184 573862956 /nfs/dbraw/zinc/86/29/56/573862956.db2.gz FIRRDOPFMOKXQA-YPMHNXCESA-N 1 0 197.366 3.447 10 0 AGAERO Cc1cc(C)c([C@@H]([NH3+])CC(C)(C)C)[nH]1 238546257 573863348 /nfs/dbraw/zinc/86/33/48/573863348.db2.gz YKCLQRADEGULOE-JTQLQIEISA-N 1 0 194.322 3.068 10 0 AGAERO C[NH2+][C@@H](C1CCCC1)[C@H](C)CC(C)C 308458182 573863355 /nfs/dbraw/zinc/86/33/55/573863355.db2.gz FIRRDOPFMOKXQA-DGCLKSJQSA-N 1 0 197.366 3.447 10 0 AGAERO CCCC1([NH3+])CCC(C)(C)CC1 79657643 573863193 /nfs/dbraw/zinc/86/31/93/573863193.db2.gz PBCDWWKUKANJEX-UHFFFAOYSA-N 1 0 169.312 3.084 10 0 AGAERO C[NH2+][C@@H](C1CCCC1)[C@@H](C)CC(C)C 308458183 573863462 /nfs/dbraw/zinc/86/34/62/573863462.db2.gz FIRRDOPFMOKXQA-WCQYABFASA-N 1 0 197.366 3.447 10 0 AGAERO Cc1ccc([C@H]([NH3+])[C@H](C)CC(C)C)o1 308458262 573863640 /nfs/dbraw/zinc/86/36/40/573863640.db2.gz FNMPKTKZBJAOJS-BXKDBHETSA-N 1 0 195.306 3.270 10 0 AGAERO CCC1([C@H]2[NH2+]CC[C@H](C)S2)CCC1 686129215 573863699 /nfs/dbraw/zinc/86/36/99/573863699.db2.gz QYEKACGRPYSXKE-UWVGGRQHSA-N 1 0 199.363 3.008 10 0 AGAERO CC[NH2+]C[C@@H]1CC12CCC(C)(C)CC2 79659539 573863820 /nfs/dbraw/zinc/86/38/20/573863820.db2.gz UWNOQIIPYBJVKM-NSHDSACASA-N 1 0 195.350 3.202 10 0 AGAERO C1=C[C@H]([C@@H]2CCC[NH2+]C2)CCCCC1 308458756 573867463 /nfs/dbraw/zinc/86/74/63/573867463.db2.gz OCJPXWDNIUWOMT-QWHCGFSZSA-N 1 0 193.334 3.123 10 0 AGAERO CCC1([C@H]2[NH2+]CC[C@@H](C)S2)CCC1 686129217 573867444 /nfs/dbraw/zinc/86/74/44/573867444.db2.gz QYEKACGRPYSXKE-ZJUUUORDSA-N 1 0 199.363 3.008 10 0 AGAERO CC1([NH2+][C@H]2C=CCCCCC2)CCC1 308458776 573868034 /nfs/dbraw/zinc/86/80/34/573868034.db2.gz OGFFYKIKCVCEFP-LBPRGKRZSA-N 1 0 193.334 3.408 10 0 AGAERO CC(C)(C)[C@@H]1CC[C@H]2C[NH2+]CC[C@@H]2C1 238161471 573868146 /nfs/dbraw/zinc/86/81/46/573868146.db2.gz HEQGAWFLNMCGLX-GRYCIOLGSA-N 1 0 195.350 3.058 10 0 AGAERO CC[C@@H]1[NH2+]C[C@H](C)[C@H]1C1(CC)CCC1 686129251 573868368 /nfs/dbraw/zinc/86/83/68/573868368.db2.gz RTZHINUBCBCKNE-SDDRHHMPSA-N 1 0 195.350 3.201 10 0 AGAERO Cc1cscc1[C@H]([NH3+])CC(C)C 87288373 573868421 /nfs/dbraw/zinc/86/84/21/573868421.db2.gz ZPRTWDIFRKRULQ-SNVBAGLBSA-N 1 0 183.320 3.102 10 0 AGAERO CC[C@@H]1[NH2+]C[C@@H](C)[C@H]1C1(CC)CCC1 686129250 573868742 /nfs/dbraw/zinc/86/87/42/573868742.db2.gz RTZHINUBCBCKNE-GRYCIOLGSA-N 1 0 195.350 3.201 10 0 AGAERO Cc1cscc1[C@@H]([NH3+])CC(C)C 87288374 573869188 /nfs/dbraw/zinc/86/91/88/573869188.db2.gz ZPRTWDIFRKRULQ-JTQLQIEISA-N 1 0 183.320 3.102 10 0 AGAERO CCC[C@@H]1C[C@@]1([NH3+])c1cscc1C 87289069 573869314 /nfs/dbraw/zinc/86/93/14/573869314.db2.gz RYYOEQFDJMBCOC-KOLCDFICSA-N 1 0 195.331 3.031 10 0 AGAERO C[NH2+][C@@H](c1cscc1C)C(C)(C)C 87288619 573869370 /nfs/dbraw/zinc/86/93/70/573869370.db2.gz LJCDXFVNDCSCHD-JTQLQIEISA-N 1 0 197.347 3.363 10 0 AGAERO Cc1cscc1[C@H]([NH3+])CC1CCC1 87288489 573869539 /nfs/dbraw/zinc/86/95/39/573869539.db2.gz KQMOEFXUNKVEAE-LLVKDONJSA-N 1 0 195.331 3.247 10 0 AGAERO Cc1cscc1[C@H]([NH3+])C1CCCC1 87288429 573869649 /nfs/dbraw/zinc/86/96/49/573869649.db2.gz PTPOFEAZDRTCAI-LLVKDONJSA-N 1 0 195.331 3.247 10 0 AGAERO CC[NH2+][C@@H](c1cscc1C)C1CC1 87288759 573869888 /nfs/dbraw/zinc/86/98/88/573869888.db2.gz OMUVIFZDERQHJM-LLVKDONJSA-N 1 0 195.331 3.117 10 0 AGAERO C1=C[C@@H]([C@H]2CCC[NH2+]C2)CCCCC1 308458754 573870272 /nfs/dbraw/zinc/87/02/72/573870272.db2.gz OCJPXWDNIUWOMT-OLZOCXBDSA-N 1 0 193.334 3.123 10 0 AGAERO Cc1cscc1[C@H]([NH3+])C(C)(C)C 87288371 573870344 /nfs/dbraw/zinc/87/03/44/573870344.db2.gz LVSAJZXJBBKDDK-VIFPVBQESA-N 1 0 183.320 3.102 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1cscc1C 87288316 573870478 /nfs/dbraw/zinc/87/04/78/573870478.db2.gz GGSPYSIAVKAJIQ-JTQLQIEISA-N 1 0 181.304 3.023 10 0 AGAERO C[NH2+][C@H](c1cscc1C)C(C)(C)C 87288620 573870772 /nfs/dbraw/zinc/87/07/72/573870772.db2.gz LJCDXFVNDCSCHD-SNVBAGLBSA-N 1 0 197.347 3.363 10 0 AGAERO CC[C@@H](C)[C@@H]([NH3+])c1cscc1C 87288423 573871935 /nfs/dbraw/zinc/87/19/35/573871935.db2.gz TVELEXOMPJPRFM-GMSGAONNSA-N 1 0 183.320 3.102 10 0 AGAERO Cc1cscc1[C@@H]([NH3+])C1CCCC1 87288430 573873168 /nfs/dbraw/zinc/87/31/68/573873168.db2.gz PTPOFEAZDRTCAI-NSHDSACASA-N 1 0 195.331 3.247 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])c1cscc1C 87288422 573873224 /nfs/dbraw/zinc/87/32/24/573873224.db2.gz TVELEXOMPJPRFM-XVKPBYJWSA-N 1 0 183.320 3.102 10 0 AGAERO C[C@H]([NH3+])c1csc2c(F)cccc12 258169401 573873260 /nfs/dbraw/zinc/87/32/60/573873260.db2.gz MDVLQJYZLJGTMH-LURJTMIESA-N 1 0 195.262 3.060 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1cscc1C 87288315 573873377 /nfs/dbraw/zinc/87/33/77/573873377.db2.gz GGSPYSIAVKAJIQ-SNVBAGLBSA-N 1 0 181.304 3.023 10 0 AGAERO CC[NH2+]C[C@@H]1C[C@@]12CCCC(C)(C)C2 79983069 573873384 /nfs/dbraw/zinc/87/33/84/573873384.db2.gz NGMWDRIDIFQOIN-WCQYABFASA-N 1 0 195.350 3.202 10 0 AGAERO CC[C@H](C)[C@@H]([NH3+])c1cscc1C 87288424 573873520 /nfs/dbraw/zinc/87/35/20/573873520.db2.gz TVELEXOMPJPRFM-OIBJUYFYSA-N 1 0 183.320 3.102 10 0 AGAERO CC(C)C[C@@]1([NH3+])CCCC(C)(C)C1 79973113 573873552 /nfs/dbraw/zinc/87/35/52/573873552.db2.gz BKTHCPQJPVTRKS-LBPRGKRZSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H]1[NH2+]C[C@@H](C)[C@@H]1C1(CC)CCC1 686129253 573873665 /nfs/dbraw/zinc/87/36/65/573873665.db2.gz RTZHINUBCBCKNE-WOPDTQHZSA-N 1 0 195.350 3.201 10 0 AGAERO Cc1ccc([C@H]([NH3+])C2(C)CCCC2)o1 87316286 573877054 /nfs/dbraw/zinc/87/70/54/573877054.db2.gz YBCIQMBCYUHYCS-NSHDSACASA-N 1 0 193.290 3.168 10 0 AGAERO CCC1([C@H]2CCCCC[NH2+]2)CCCC1 87315719 573876482 /nfs/dbraw/zinc/87/64/82/573876482.db2.gz ZFWVKKZTKSYMAS-GFCCVEGCSA-N 1 0 195.350 3.489 10 0 AGAERO CC1([C@H]([NH3+])C2=CCCCC2)CCCC1 87316318 573876536 /nfs/dbraw/zinc/87/65/36/573876536.db2.gz TXCLXFUMPRAAKW-GFCCVEGCSA-N 1 0 193.334 3.394 10 0 AGAERO C[NH2+][C@@H](c1ccco1)C1(C)CCCC1 87316266 573876566 /nfs/dbraw/zinc/87/65/66/573876566.db2.gz 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IHXYXGYKLVMDOU-GHMZBOCLSA-N 1 0 171.328 3.330 10 0 AGAERO C1CCC(C[C@H]2[NH2+]CCCS2)CC1 87474050 573928577 /nfs/dbraw/zinc/92/85/77/573928577.db2.gz BQIKONGJAPGBDT-NSHDSACASA-N 1 0 199.363 3.009 10 0 AGAERO CC(C)C[NH2+]C[C@H]1C=CCCCCC1 308465064 573928664 /nfs/dbraw/zinc/92/86/64/573928664.db2.gz VYKOEUFQWVYBFX-ZDUSSCGKSA-N 1 0 195.350 3.369 10 0 AGAERO CC(C)(C)/C=C(/C[NH3+])C1CCCCC1 87475046 573928686 /nfs/dbraw/zinc/92/86/86/573928686.db2.gz CHLKOAZRWPWLGC-XFXZXTDPSA-N 1 0 195.350 3.498 10 0 AGAERO CCCC[C@H](CC)[C@@H]([NH3+])CCC 211766895 573928742 /nfs/dbraw/zinc/92/87/42/573928742.db2.gz IHXYXGYKLVMDOU-QWRGUYRKSA-N 1 0 171.328 3.330 10 0 AGAERO CC1(C)C[C@H]1[NH2+]CCC1CCCCC1 87473387 573928886 /nfs/dbraw/zinc/92/88/86/573928886.db2.gz DLFRMPOSWFZMCU-GFCCVEGCSA-N 1 0 195.350 3.345 10 0 AGAERO C[C@@H]1CS[C@H](CC2CCCCC2)[NH2+]1 87474040 573928904 /nfs/dbraw/zinc/92/89/04/573928904.db2.gz UMAIWQBZNAUTQF-MWLCHTKSSA-N 1 0 199.363 3.008 10 0 AGAERO CC[NH2+]CC/C=C(\C)CCC(C)C 211844934 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189.302 3.148 10 0 AGAERO CC[C@H](C)CC[NH2+][C@@H]1[C@H]2CCCC[C@H]21 394411247 573929236 /nfs/dbraw/zinc/92/92/36/573929236.db2.gz PNSKYAQILNEMHR-WUHRBBMRSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@H]1C[NH2+][C@H](CC2CCCCC2)S1 87474033 573929346 /nfs/dbraw/zinc/92/93/46/573929346.db2.gz MJEMBDPAJFRJGC-ONGXEEELSA-N 1 0 199.363 3.008 10 0 AGAERO CC(C)C[NH2+]C[C@@H]1C=CCCCCC1 308465063 573929753 /nfs/dbraw/zinc/92/97/53/573929753.db2.gz VYKOEUFQWVYBFX-CYBMUJFWSA-N 1 0 195.350 3.369 10 0 AGAERO CCCC[C@@H](CC)[C@@H]([NH3+])CCC 211766826 573930931 /nfs/dbraw/zinc/93/09/31/573930931.db2.gz IHXYXGYKLVMDOU-MNOVXSKESA-N 1 0 171.328 3.330 10 0 AGAERO CCC[C@H]([NH3+])[C@H](C)c1ccccc1C 211766490 573930819 /nfs/dbraw/zinc/93/08/19/573930819.db2.gz UAFPZZURXJTVQB-YPMHNXCESA-N 1 0 191.318 3.226 10 0 AGAERO C[NH2+]CC1([C@@H](C)CC(C)C)CCCC1 308470973 573931245 /nfs/dbraw/zinc/93/12/45/573931245.db2.gz JGADZJJCQIEGTM-LBPRGKRZSA-N 1 0 197.366 3.448 10 0 AGAERO CCCC[C@@H]([NH2+]C(C)C)c1ccc[nH]1 308470931 573931292 /nfs/dbraw/zinc/93/12/92/573931292.db2.gz JECYHECXKKXWOP-GFCCVEGCSA-N 1 0 194.322 3.244 10 0 AGAERO C[NH2+]CC1([C@H](C)CC(C)C)CCCC1 308470972 573931349 /nfs/dbraw/zinc/93/13/49/573931349.db2.gz JGADZJJCQIEGTM-GFCCVEGCSA-N 1 0 197.366 3.448 10 0 AGAERO CC(C)([NH3+])CCC1CCCCC1 87492703 573932748 /nfs/dbraw/zinc/93/27/48/573932748.db2.gz KTBIFMJUZVQVMC-UHFFFAOYSA-N 1 0 169.312 3.084 10 0 AGAERO CCC(C)(C)c1cccc([C@@H](C)[NH3+])c1 238197014 573932750 /nfs/dbraw/zinc/93/27/50/573932750.db2.gz FFLKMTMGXKGBPP-SNVBAGLBSA-N 1 0 191.318 3.394 10 0 AGAERO C[C@@H](C[C@H]([NH3+])c1ccc[nH]1)C(C)(C)C 308471366 573934776 /nfs/dbraw/zinc/93/47/76/573934776.db2.gz JKJOAZZMLSNVRQ-UWVGGRQHSA-N 1 0 194.322 3.087 10 0 AGAERO C[C@H](F)[C@H](CC1([NH3+])CC1)C1CCCC1 257909376 573934832 /nfs/dbraw/zinc/93/48/32/573934832.db2.gz WTCNMXVKQQXXBB-ONGXEEELSA-N 1 0 199.313 3.032 10 0 AGAERO [NH3+][C@@H]1CCc2cc(C3=CCCC3)ccc21 308782104 573935116 /nfs/dbraw/zinc/93/51/16/573935116.db2.gz CWCNPCBZYCFCJN-CQSZACIVSA-N 1 0 199.297 3.200 10 0 AGAERO C[C@@H](F)[C@@H](CC1([NH3+])CC1)C1CCCC1 257909373 573935274 /nfs/dbraw/zinc/93/52/74/573935274.db2.gz WTCNMXVKQQXXBB-MWLCHTKSSA-N 1 0 199.313 3.032 10 0 AGAERO CCCNc1cccc2ccncc12 87521278 573935520 /nfs/dbraw/zinc/93/55/20/573935520.db2.gz LHFURERYICMOML-UHFFFAOYSA-N 1 0 186.258 3.057 10 0 AGAERO CC(C)C[C@@H]([NH3+])[C@@H]1CCC[C@@H](C)C1 44980783 573935604 /nfs/dbraw/zinc/93/56/04/573935604.db2.gz VTMGNCGHUOIODT-IJLUTSLNSA-N 1 0 183.339 3.186 10 0 AGAERO C[NH2+]C(C)(C)[C@@H](C)c1ccc(C)cc1 258522961 573935776 /nfs/dbraw/zinc/93/57/76/573935776.db2.gz FJMFVRPALURGTN-NSHDSACASA-N 1 0 191.318 3.097 10 0 AGAERO CC(C)C1([C@H]2C[C@@H](C)[NH2+][C@H]2C)CCC1 686129925 573935844 /nfs/dbraw/zinc/93/58/44/573935844.db2.gz HGLZAXGEIYSRKP-WOPDTQHZSA-N 1 0 195.350 3.199 10 0 AGAERO CC[NH2+][C@@H](CC)C1CCC(C)CC1 44983863 573935905 /nfs/dbraw/zinc/93/59/05/573935905.db2.gz MBRFQGGRRIAORC-MCIGGMRASA-N 1 0 183.339 3.201 10 0 AGAERO CCCC1(CC)CCC([NH3+])CC1 238196822 573936310 /nfs/dbraw/zinc/93/63/10/573936310.db2.gz KOBWQQGOAGNWPN-UHFFFAOYSA-N 1 0 169.312 3.084 10 0 AGAERO CC[C@@H]1C[C@@H]1[NH2+][C@@H]1C=CCCCCC1 308467442 573939228 /nfs/dbraw/zinc/93/92/28/573939228.db2.gz ZUNXEUMQDSCUNH-UPJWGTAASA-N 1 0 193.334 3.263 10 0 AGAERO C[C@@H]([NH2+][C@H]1C=CCCCCC1)C1CC1 308467419 573939347 /nfs/dbraw/zinc/93/93/47/573939347.db2.gz ZQKNDJBPKJBBSB-YPMHNXCESA-N 1 0 193.334 3.263 10 0 AGAERO CC[C@@H]1C[C@H]1[NH2+][C@@H]1C=CCCCCC1 308467441 573939458 /nfs/dbraw/zinc/93/94/58/573939458.db2.gz ZUNXEUMQDSCUNH-JHJVBQTASA-N 1 0 193.334 3.263 10 0 AGAERO CC1(C)CC[C@@H]1[NH2+]CCC1=CCCC1 308469088 573939705 /nfs/dbraw/zinc/93/97/05/573939705.db2.gz AZWWHUQPZHEKIO-LBPRGKRZSA-N 1 0 193.334 3.265 10 0 AGAERO CC[C@@H](C)[C@H]([NH2+]C)C(C1CC1)C1CC1 308467332 573939534 /nfs/dbraw/zinc/93/95/34/573939534.db2.gz IGHKKXOIDWSTTP-RNCFNFMXSA-N 1 0 195.350 3.057 10 0 AGAERO CCCCCC[C@H]1CCCC[C@@H]1[NH3+] 42401947 573943899 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3.084 10 0 AGAERO CC(C)C[C@@]1([NH3+])CCC[C@H](C2CC2)C1 81629018 573956266 /nfs/dbraw/zinc/95/62/66/573956266.db2.gz CTOSTQYFHMJHRG-STQMWFEESA-N 1 0 195.350 3.330 10 0 AGAERO CC(C)C[C@]1([NH3+])CCC[C@H](C2CC2)C1 81629014 573956531 /nfs/dbraw/zinc/95/65/31/573956531.db2.gz CTOSTQYFHMJHRG-QWHCGFSZSA-N 1 0 195.350 3.330 10 0 AGAERO CC(C)C[C@@]1([NH3+])CCC[C@@H](C2CC2)C1 81629024 573956561 /nfs/dbraw/zinc/95/65/61/573956561.db2.gz CTOSTQYFHMJHRG-OLZOCXBDSA-N 1 0 195.350 3.330 10 0 AGAERO CCC[C@@]1([NH3+])CCC[C@@H](C2CC2)C1 81629544 573956754 /nfs/dbraw/zinc/95/67/54/573956754.db2.gz BTSSKNUEZQXFGC-VXGBXAGGSA-N 1 0 181.323 3.084 10 0 AGAERO CCCCC[C@H](C)[NH2+][C@H]1CC1(C)C 45116463 573956783 /nfs/dbraw/zinc/95/67/83/573956783.db2.gz IDBBJLGNXYBQIM-QWRGUYRKSA-N 1 0 183.339 3.343 10 0 AGAERO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1CC1(C)C 45115435 573958277 /nfs/dbraw/zinc/95/82/77/573958277.db2.gz KJOLWXZOCXXLRS-GARJFASQSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)c1[nH+]cc2cccc(Cl)n12 257912613 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/nfs/dbraw/zinc/98/08/20/573980820.db2.gz OESWVGYUXPGWOD-MXWKQRLJSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@H]1C[NH2+][C@@]2(CCC[C@@H](C)CC2)S1 87602594 573980886 /nfs/dbraw/zinc/98/08/86/573980886.db2.gz QYIUAUQCJOPJTQ-VWYCJHECSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]1CCC[C@@]2(C1)[NH2+][C@H](C)CCS2 87604029 573981201 /nfs/dbraw/zinc/98/12/01/573981201.db2.gz SPAWNDHZOMQKTI-GMTAPVOTSA-N 1 0 199.363 3.008 10 0 AGAERO CC1CCC2(CC1)[NH2+]CC[C@@H](C)S2 87605050 573981238 /nfs/dbraw/zinc/98/12/38/573981238.db2.gz GRROSFPBWWWPOJ-HSOILSAZSA-N 1 0 199.363 3.008 10 0 AGAERO C1CCCC2(CCC1)[NH2+]CCCS2 87603838 573981307 /nfs/dbraw/zinc/98/13/07/573981307.db2.gz WNWOFTBPPOBPHE-UHFFFAOYSA-N 1 0 199.363 3.154 10 0 AGAERO C[C@@H]([NH3+])c1ccccc1C(C)(C)C 104453575 573981339 /nfs/dbraw/zinc/98/13/39/573981339.db2.gz XIPZRYDPIMXDMH-SECBINFHSA-N 1 0 177.291 3.004 10 0 AGAERO C[C@@H]1CCS[C@@]2(CCCC[C@H]2C)[NH2+]1 87604055 573981455 /nfs/dbraw/zinc/98/14/55/573981455.db2.gz RDEQKBMGDTXWGZ-GMTAPVOTSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@H]1CC[NH2+][C@]2(CCC[C@@H](C)C2)S1 87604985 573981657 /nfs/dbraw/zinc/98/16/57/573981657.db2.gz QMNFNGNHFKHBSH-OUAUKWLOSA-N 1 0 199.363 3.008 10 0 AGAERO CCC[C@@](C)(CC)[NH2+]C(C)(C)C 238223206 573981659 /nfs/dbraw/zinc/98/16/59/573981659.db2.gz ROKVWYLGOIJYDY-LLVKDONJSA-N 1 0 171.328 3.343 10 0 AGAERO CC[C@@H]1CC[C@]2(C1)[NH2+][C@H](C)CCS2 87604199 573981675 /nfs/dbraw/zinc/98/16/75/573981675.db2.gz JJZNNARFUBITPL-MXWKQRLJSA-N 1 0 199.363 3.008 10 0 AGAERO CC1CCC2(CC1)[NH2+]CC[C@H](C)S2 87605049 573981771 /nfs/dbraw/zinc/98/17/71/573981771.db2.gz GRROSFPBWWWPOJ-YVNMAJEFSA-N 1 0 199.363 3.008 10 0 AGAERO CCCCC[C@H](C)N1CCCC1=[NH2+] 42571428 573981810 /nfs/dbraw/zinc/98/18/10/573981810.db2.gz KCSVCEGCEGLHEM-JTQLQIEISA-N 1 0 182.311 3.028 10 0 AGAERO CC[C@H]1CSC2(CCC(C)CC2)[NH2+]1 87605530 573981879 /nfs/dbraw/zinc/98/18/79/573981879.db2.gz BFNLHFOVPJFEPB-YVNMAJEFSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@]1(C2CCCCC2)[NH2+]CCCS1 87603715 573981917 /nfs/dbraw/zinc/98/19/17/573981917.db2.gz CIPBPIKUSYHCTD-NSHDSACASA-N 1 0 199.363 3.009 10 0 AGAERO CC1(C)CCC2(CC1)[NH2+]CCCS2 87603683 573982053 /nfs/dbraw/zinc/98/20/53/573982053.db2.gz ZZYVGBCJZSMKLH-UHFFFAOYSA-N 1 0 199.363 3.009 10 0 AGAERO CC1(C)CCCC[C@]12[NH2+]CCCS2 87603669 573982193 /nfs/dbraw/zinc/98/21/93/573982193.db2.gz IHDZXDWNVWNPNU-LLVKDONJSA-N 1 0 199.363 3.009 10 0 AGAERO CC1(C)CCC[C@]2(C1)[NH2+]CCCS2 87603797 573982215 /nfs/dbraw/zinc/98/22/15/573982215.db2.gz VPCKFHYUCXBQAI-NSHDSACASA-N 1 0 199.363 3.009 10 0 AGAERO C[C@@H]1CCC[C@]2(C1)[NH2+][C@H](C)CCS2 87604031 573982248 /nfs/dbraw/zinc/98/22/48/573982248.db2.gz SPAWNDHZOMQKTI-MXWKQRLJSA-N 1 0 199.363 3.008 10 0 AGAERO CC[C@@H]1CS[C@]2(CCCC[C@@H]2C)[NH2+]1 87605487 573983241 /nfs/dbraw/zinc/98/32/41/573983241.db2.gz KVRHBMLUJZJSNL-AXFHLTTASA-N 1 0 199.363 3.008 10 0 AGAERO C[C@H]1CCS[C@@](C)(C2CCCC2)[NH2+]1 87604246 573982402 /nfs/dbraw/zinc/98/24/02/573982402.db2.gz JUHRNZSBXXKUMP-ONGXEEELSA-N 1 0 199.363 3.008 10 0 AGAERO CC[C@@H]1CSC2(CCCCCC2)[NH2+]1 87605347 573983255 /nfs/dbraw/zinc/98/32/55/573983255.db2.gz MKRJGBNIXOAKRL-SNVBAGLBSA-N 1 0 199.363 3.152 10 0 AGAERO C[C@@H]1CCS[C@]2(CCCC[C@H]2C)[NH2+]1 87604053 573982540 /nfs/dbraw/zinc/98/25/40/573982540.db2.gz RDEQKBMGDTXWGZ-MXWKQRLJSA-N 1 0 199.363 3.008 10 0 AGAERO CCCCC[C@@H](C)Nc1cc[nH+]cc1 42571883 573982547 /nfs/dbraw/zinc/98/25/47/573982547.db2.gz SDRVQHAGGQQMDM-LLVKDONJSA-N 1 0 192.306 3.462 10 0 AGAERO C[C@H]1CCS[C@](C)(C2CCCC2)[NH2+]1 87604248 573982667 /nfs/dbraw/zinc/98/26/67/573982667.db2.gz JUHRNZSBXXKUMP-GXSJLCMTSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]1CC[NH2+]C2(CCCCCC2)S1 87604869 573982772 /nfs/dbraw/zinc/98/27/72/573982772.db2.gz SUFBFGVROMLSTM-SNVBAGLBSA-N 1 0 199.363 3.152 10 0 AGAERO CC[C@H]1CSC2(CCCCCC2)[NH2+]1 87605348 573982786 /nfs/dbraw/zinc/98/27/86/573982786.db2.gz MKRJGBNIXOAKRL-JTQLQIEISA-N 1 0 199.363 3.152 10 0 AGAERO CC[C@H]1CCC[C@]2(C1)[NH2+]CCCS2 87603826 573982859 /nfs/dbraw/zinc/98/28/59/573982859.db2.gz QKUOVBHGGBYTPE-QWRGUYRKSA-N 1 0 199.363 3.009 10 0 AGAERO C[C@@H]([NH3+])C1CC(C)(C)CC(C)(C)C1 82105979 573982893 /nfs/dbraw/zinc/98/28/93/573982893.db2.gz UBDAMLYRQLAJGY-SECBINFHSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H]1CCC[C@@]2(C1)[NH2+]CCCS2 87603824 573982898 /nfs/dbraw/zinc/98/28/98/573982898.db2.gz QKUOVBHGGBYTPE-WDEREUQCSA-N 1 0 199.363 3.009 10 0 AGAERO C[C@@H]1CC[NH2+][C@@]2(CCCC2(C)C)S1 87605113 573983099 /nfs/dbraw/zinc/98/30/99/573983099.db2.gz HDZQKGSBCFOYFI-KOLCDFICSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]1CC[NH2+][C@@](C)(C2CCCC2)S1 87605201 573983136 /nfs/dbraw/zinc/98/31/36/573983136.db2.gz SMYLPBPMBNZUKT-MWLCHTKSSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]1C[NH2+]C2(CCCCCC2)SC1 87604392 573983247 /nfs/dbraw/zinc/98/32/47/573983247.db2.gz NTCZYUFJSHCQIT-SNVBAGLBSA-N 1 0 199.363 3.009 10 0 AGAERO C[C@@H]1CC[NH+]=C1C1CCCCC1 104457259 573986726 /nfs/dbraw/zinc/98/67/26/573986726.db2.gz MUOGYQQBKUINEG-SECBINFHSA-N 1 0 165.280 3.048 10 0 AGAERO CCCCC[C@H](C)Nc1cc[nH+]cc1 42571885 573985880 /nfs/dbraw/zinc/98/58/80/573985880.db2.gz SDRVQHAGGQQMDM-NSHDSACASA-N 1 0 192.306 3.462 10 0 AGAERO C[C@@H]1CCC[C@@]2(C1)[NH2+]C(C)(C)CS2 87605888 573985897 /nfs/dbraw/zinc/98/58/97/573985897.db2.gz UCLOIIXVDPODNF-MWLCHTKSSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]1CCC[C@]2(C1)[NH2+]C(C)(C)CS2 87605890 573985916 /nfs/dbraw/zinc/98/59/16/573985916.db2.gz UCLOIIXVDPODNF-KOLCDFICSA-N 1 0 199.363 3.008 10 0 AGAERO CC1(C)CSC2(CCCCCC2)[NH2+]1 87605817 573986947 /nfs/dbraw/zinc/98/69/47/573986947.db2.gz TWJZDLXKNLCUOS-UHFFFAOYSA-N 1 0 199.363 3.152 10 0 AGAERO CC1CCC([C@H]([NH3+])c2ccoc2)CC1 82193874 573986973 /nfs/dbraw/zinc/98/69/73/573986973.db2.gz OWUFUOFIBBKTBF-CBINBANVSA-N 1 0 193.290 3.106 10 0 AGAERO CC[C@H]1CS[C@@](C)(C2CCCC2)[NH2+]1 87605682 573986741 /nfs/dbraw/zinc/98/67/41/573986741.db2.gz SMXVVBOJJXVHLI-QWRGUYRKSA-N 1 0 199.363 3.008 10 0 AGAERO Cc1ccc([C@H](C[NH3+])CC(C)(C)C)o1 74243069 573986787 /nfs/dbraw/zinc/98/67/87/573986787.db2.gz BVIVYFZNXMLNSJ-JTQLQIEISA-N 1 0 195.306 3.067 10 0 AGAERO CC[C@@H]1CS[C@@]2(CCCC2(C)C)[NH2+]1 87605593 573988170 /nfs/dbraw/zinc/98/81/70/573988170.db2.gz LZOPCHOIDOLVLB-MWLCHTKSSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@H]1CC[NH+]=C1C1CCCCC1 104457263 573987737 /nfs/dbraw/zinc/98/77/37/573987737.db2.gz MUOGYQQBKUINEG-VIFPVBQESA-N 1 0 165.280 3.048 10 0 AGAERO CC[C@H]1CC[C@]2(C1)[NH2+]C(C)(C)CS2 87605994 573988008 /nfs/dbraw/zinc/98/80/08/573988008.db2.gz MKRBDMWYHYXKAH-ONGXEEELSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@H]1CCC[C@@]2(C1)[NH2+]C(C)(C)CS2 87605889 573988031 /nfs/dbraw/zinc/98/80/31/573988031.db2.gz UCLOIIXVDPODNF-GXSJLCMTSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]1CCCC[C@@]12[NH2+]C(C)(C)CS2 87605902 573988161 /nfs/dbraw/zinc/98/81/61/573988161.db2.gz ITBMTKMNNMAZIV-KOLCDFICSA-N 1 0 199.363 3.008 10 0 AGAERO CC(C)(C)[NH2+]CCCCCC(F)F 688728245 573988358 /nfs/dbraw/zinc/98/83/58/573988358.db2.gz PTFLXSVPLNAMHL-UHFFFAOYSA-N 1 0 193.281 3.200 10 0 AGAERO CC1(C)CS[C@@](C)(C2CCCC2)[NH2+]1 87606023 573988497 /nfs/dbraw/zinc/98/84/97/573988497.db2.gz POXBBEGOXAMEMH-NSHDSACASA-N 1 0 199.363 3.008 10 0 AGAERO CC[C@@H]([NH3+])c1ccccc1C(C)(C)C 104455333 573988569 /nfs/dbraw/zinc/98/85/69/573988569.db2.gz SYRVEQHQYAYJPO-GFCCVEGCSA-N 1 0 191.318 3.394 10 0 AGAERO CC1(C)CS[C@]2(CCCC2(C)C)[NH2+]1 87605966 573988611 /nfs/dbraw/zinc/98/86/11/573988611.db2.gz FNFWANKINOUMOH-NSHDSACASA-N 1 0 199.363 3.008 10 0 AGAERO CC1CCC([C@@H]([NH3+])c2ccoc2)CC1 82193880 573989909 /nfs/dbraw/zinc/98/99/09/573989909.db2.gz OWUFUOFIBBKTBF-RTYFJBAXSA-N 1 0 193.290 3.106 10 0 AGAERO CC[NH2+][C@@H](C)c1sccc1Cl 87622269 573992151 /nfs/dbraw/zinc/99/21/51/573992151.db2.gz SJXRMOQQSVVQGB-LURJTMIESA-N 1 0 189.711 3.072 10 0 AGAERO CC[NH2+][C@@H](C)/C=C\C1(C(C)C)CCC1 686129999 573992217 /nfs/dbraw/zinc/99/22/17/573992217.db2.gz IKPWNFCGPPHAIJ-UMAGTOLTSA-N 1 0 195.350 3.367 10 0 AGAERO CCC1([NH2+]C(C)(C)C)CCCCC1 238233030 573993301 /nfs/dbraw/zinc/99/33/01/573993301.db2.gz CKPIJSWIKHHIJI-UHFFFAOYSA-N 1 0 183.339 3.487 10 0 AGAERO CC(C)[C@H]1CC[C@@](C)(C[NH3+])C1(C)C 238235510 573996167 /nfs/dbraw/zinc/99/61/67/573996167.db2.gz JSNXKRZWBBPYBU-PWSUYJOCSA-N 1 0 183.339 3.044 10 0 AGAERO Cc1ccc([C@@H]([NH3+])C2CC2)c(Cl)c1 104473854 573996225 /nfs/dbraw/zinc/99/62/25/573996225.db2.gz YAWOONPFLJNJAB-NSHDSACASA-N 1 0 195.693 3.058 10 0 AGAERO Cc1c(Cl)cccc1[C@@H]([NH3+])C1CC1 104473880 573996477 /nfs/dbraw/zinc/99/64/77/573996477.db2.gz HCQQLQCAUZGIDA-NSHDSACASA-N 1 0 195.693 3.058 10 0 AGAERO CCCC1(/C=C(/C[NH3+])C(C)C)CCC1 686125353 573996488 /nfs/dbraw/zinc/99/64/88/573996488.db2.gz GYFHUCSWCLBNLM-XFXZXTDPSA-N 1 0 195.350 3.498 10 0 AGAERO CCc1cccc(F)c1[C@@H]([NH3+])C(C)C 104472982 573996699 /nfs/dbraw/zinc/99/66/99/573996699.db2.gz OUBYRMVNNLLOCU-LBPRGKRZSA-N 1 0 195.281 3.044 10 0 AGAERO CCCC1(/C=C(\C[NH3+])C(C)C)CCC1 686125351 573997120 /nfs/dbraw/zinc/99/71/20/573997120.db2.gz GYFHUCSWCLBNLM-FMIVXFBMSA-N 1 0 195.350 3.498 10 0 AGAERO CCc1c(F)cccc1[C@@H]([NH3+])C(C)C 104472966 573997299 /nfs/dbraw/zinc/99/72/99/573997299.db2.gz LPHBSBGXKJZXPE-LBPRGKRZSA-N 1 0 195.281 3.044 10 0 AGAERO CSc1cccc([C@@H]([NH3+])C(C)C)c1 104482463 573998512 /nfs/dbraw/zinc/99/85/12/573998512.db2.gz MHOCQIIUVZUBTO-NSHDSACASA-N 1 0 195.331 3.064 10 0 AGAERO CCc1c(F)cccc1[C@H]([NH3+])C(C)C 104477197 573998806 /nfs/dbraw/zinc/99/88/06/573998806.db2.gz LPHBSBGXKJZXPE-GFCCVEGCSA-N 1 0 195.281 3.044 10 0 AGAERO Cc1ccc(Cl)cc1[C@@H]([NH3+])C1CC1 104483997 573998958 /nfs/dbraw/zinc/99/89/58/573998958.db2.gz ZYWYNBSCIRRALD-NSHDSACASA-N 1 0 195.693 3.058 10 0 AGAERO CC[C@H]([NH3+])c1cc(C(C)(C)C)oc1C 104479542 573998985 /nfs/dbraw/zinc/99/89/85/573998985.db2.gz KUASVOZGDFTJES-JTQLQIEISA-N 1 0 195.306 3.295 10 0 AGAERO Cc1ccc(Cl)cc1[C@H]([NH3+])C1CC1 104483991 573999119 /nfs/dbraw/zinc/99/91/19/573999119.db2.gz ZYWYNBSCIRRALD-LLVKDONJSA-N 1 0 195.693 3.058 10 0 AGAERO CCc1ccc(F)cc1[C@@H]([NH3+])C(C)C 104476529 573999344 /nfs/dbraw/zinc/99/93/44/573999344.db2.gz TXWHTXIOQRPYSD-LBPRGKRZSA-N 1 0 195.281 3.044 10 0 AGAERO Cc1ccc(C(C)C)c2c1CC[C@@H]2[NH3+] 238236822 573999414 /nfs/dbraw/zinc/99/94/14/573999414.db2.gz DJWODGWLRMHDHT-LBPRGKRZSA-N 1 0 189.302 3.064 10 0 AGAERO Cc1ccc(C(C)C)c2c1CC[C@H]2[NH3+] 238236808 573999599 /nfs/dbraw/zinc/99/95/99/573999599.db2.gz DJWODGWLRMHDHT-GFCCVEGCSA-N 1 0 189.302 3.064 10 0 AGAERO Cc1cc([C@H]([NH3+])CC2CC2)sc1C 104481091 574001792 /nfs/dbraw/zinc/00/17/92/574001792.db2.gz JJXZTEGIHIKJOS-SNVBAGLBSA-N 1 0 195.331 3.165 10 0 AGAERO CCC[C@@]12CC[C@@H](C[C@@H]1[NH2+]C)C2(C)C 238238908 574001794 /nfs/dbraw/zinc/00/17/94/574001794.db2.gz WWKCWRANQUHTSY-GMXVVIOVSA-N 1 0 195.350 3.201 10 0 AGAERO Cc1cc([C@@H]([NH3+])CC2CC2)sc1C 104481097 574001839 /nfs/dbraw/zinc/00/18/39/574001839.db2.gz JJXZTEGIHIKJOS-JTQLQIEISA-N 1 0 195.331 3.165 10 0 AGAERO CSc1ccccc1[C@H]([NH3+])C(C)C 104482442 574002023 /nfs/dbraw/zinc/00/20/23/574002023.db2.gz TYOQMNNSGBSOSJ-LLVKDONJSA-N 1 0 195.331 3.064 10 0 AGAERO CSc1ccccc1[C@@H]([NH3+])C(C)C 104482438 574002270 /nfs/dbraw/zinc/00/22/70/574002270.db2.gz TYOQMNNSGBSOSJ-NSHDSACASA-N 1 0 195.331 3.064 10 0 AGAERO CCCCC[C@@H](C)[NH2+]Cc1ccc[nH]1 48408929 574003662 /nfs/dbraw/zinc/00/36/62/574003662.db2.gz PYNYAOQMHWXGAR-LLVKDONJSA-N 1 0 194.322 3.073 10 0 AGAERO Cc1cccc(CNc2cc[nH+]cc2)c1 48266240 574004516 /nfs/dbraw/zinc/00/45/16/574004516.db2.gz YNRDYCGHVBTAHU-UHFFFAOYSA-N 1 0 198.269 3.002 10 0 AGAERO C[NH2+]CC/C=C(\C)c1csc(C)c1 211793605 574006069 /nfs/dbraw/zinc/00/60/69/574006069.db2.gz XWFJRGRHJQRKLF-WEVVVXLNSA-N 1 0 195.331 3.069 10 0 AGAERO C[C@]1(C2CCCCCC2)C[C@@H](F)C[NH2+]1 258200109 574006468 /nfs/dbraw/zinc/00/64/68/574006468.db2.gz WTPSGSFSMGWKAL-VXGBXAGGSA-N 1 0 199.313 3.047 10 0 AGAERO CC[C@@H]([NH3+])c1cccc(C(F)F)c1 104492813 574008919 /nfs/dbraw/zinc/00/89/19/574008919.db2.gz LIEDNFBFZIDZEK-SECBINFHSA-N 1 0 185.217 3.034 10 0 AGAERO CC[C@@H]([NH3+])c1scc(C)c1Cl 104494599 574009005 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10 0 AGAERO C[C@@H](c1ccc(Cl)s1)[NH+](C)C 259273999 574012732 /nfs/dbraw/zinc/01/27/32/574012732.db2.gz UJNWLSKILUVNHR-LURJTMIESA-N 1 0 189.711 3.024 10 0 AGAERO CCC(CC)C[C@@H]([NH2+]C)C(C)(C)C 128066666 574014250 /nfs/dbraw/zinc/01/42/50/574014250.db2.gz IMVWRPNXIQHRDQ-LLVKDONJSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)C[C@H]([NH2+]C)C(C)(C)C 128066423 574016163 /nfs/dbraw/zinc/01/61/63/574016163.db2.gz IMVWRPNXIQHRDQ-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CC(C)[C@@H]([NH3+])c1ccccc1C(F)F 104503086 574016169 /nfs/dbraw/zinc/01/61/69/574016169.db2.gz XOOQVKUETXCBCV-SNVBAGLBSA-N 1 0 199.244 3.280 10 0 AGAERO C[NH2+]CC(C)(C)CCCC(C)C 128059748 574015384 /nfs/dbraw/zinc/01/53/84/574015384.db2.gz WFWCPWRSVJMVOQ-UHFFFAOYSA-N 1 0 171.328 3.058 10 0 AGAERO CC(C)[C@@H]([NH3+])c1cccc(C(F)F)c1 104503108 574016198 /nfs/dbraw/zinc/01/61/98/574016198.db2.gz VIPOJZZFHUHLFU-SNVBAGLBSA-N 1 0 199.244 3.280 10 0 AGAERO C[C@H](c1ccc(Cl)s1)[NH+](C)C 259274000 574015618 /nfs/dbraw/zinc/01/56/18/574015618.db2.gz UJNWLSKILUVNHR-ZCFIWIBFSA-N 1 0 189.711 3.024 10 0 AGAERO CCC[C@H]([NH3+])c1cc(Cl)ccc1C 104501840 574015625 /nfs/dbraw/zinc/01/56/25/574015625.db2.gz DSUQWUKCVIAWAQ-NSHDSACASA-N 1 0 197.709 3.448 10 0 AGAERO CCc1cc(Cl)ccc1[C@@H]([NH3+])CC 104499842 574015665 /nfs/dbraw/zinc/01/56/65/574015665.db2.gz PRDNHZCXAVFBST-NSHDSACASA-N 1 0 197.709 3.312 10 0 AGAERO [NH3+][C@@H](c1ccccc1C(F)F)C1CC1 104501725 574015679 /nfs/dbraw/zinc/01/56/79/574015679.db2.gz WGZBDHCYGGIXFG-SNVBAGLBSA-N 1 0 197.228 3.034 10 0 AGAERO CCC[NH2+][C@@H](C)CC(CC)CC 128063821 574015793 /nfs/dbraw/zinc/01/57/93/574015793.db2.gz APHOJQRGXQFAGR-JTQLQIEISA-N 1 0 171.328 3.201 10 0 AGAERO C=Cc1ccccc1[C@H]1CCCC[NH2+]1 104501406 574015800 /nfs/dbraw/zinc/01/58/00/574015800.db2.gz RCQFHIIBNIZVDT-CYBMUJFWSA-N 1 0 187.286 3.144 10 0 AGAERO CCc1cccc(Cl)c1[C@H]([NH3+])CC 104502915 574015854 /nfs/dbraw/zinc/01/58/54/574015854.db2.gz GHHVRSZNXBWIJJ-SNVBAGLBSA-N 1 0 197.709 3.312 10 0 AGAERO CCc1ccc(Cl)cc1[C@H]([NH3+])CC 104501830 574015932 /nfs/dbraw/zinc/01/59/32/574015932.db2.gz HENJGYFSMNVIAS-LLVKDONJSA-N 1 0 197.709 3.312 10 0 AGAERO CCCC1([NH3+])CCCCCCC1 87690165 574017250 /nfs/dbraw/zinc/01/72/50/574017250.db2.gz NEKMRMMFPIUJLU-UHFFFAOYSA-N 1 0 169.312 3.228 10 0 AGAERO C[C@@H]1C[C@@]1([NH3+])C1CCCCCCC1 87690639 574017256 /nfs/dbraw/zinc/01/72/56/574017256.db2.gz GDDKGUNWMATBFF-PWSUYJOCSA-N 1 0 181.323 3.084 10 0 AGAERO CCC[C@@H]([NH3+])C1CCCCCCC1 87690312 574017261 /nfs/dbraw/zinc/01/72/61/574017261.db2.gz AAXXSMYCPTXPHN-GFCCVEGCSA-N 1 0 183.339 3.474 10 0 AGAERO CC[NH2+][C@H](CC)CC(CC)CC 128061934 574017161 /nfs/dbraw/zinc/01/71/61/574017161.db2.gz IGKWGPJSLLECMJ-LLVKDONJSA-N 1 0 171.328 3.201 10 0 AGAERO [NH3+][C@@H](c1cccc(C(F)F)c1)C1CC1 104502780 574017027 /nfs/dbraw/zinc/01/70/27/574017027.db2.gz OJLPPEUWERICAJ-SNVBAGLBSA-N 1 0 197.228 3.034 10 0 AGAERO CCc1cccc(Cl)c1[C@@H]([NH3+])CC 104499835 574017036 /nfs/dbraw/zinc/01/70/36/574017036.db2.gz GHHVRSZNXBWIJJ-JTQLQIEISA-N 1 0 197.709 3.312 10 0 AGAERO C[NH2+]Cc1cc(Cl)ccc1C(C)C 85220323 574017037 /nfs/dbraw/zinc/01/70/37/574017037.db2.gz LKLWKHPQKLVNPU-UHFFFAOYSA-N 1 0 197.709 3.183 10 0 AGAERO CC(C)[C@H]([NH3+])c1ccccc1C(F)F 104503082 574017195 /nfs/dbraw/zinc/01/71/95/574017195.db2.gz XOOQVKUETXCBCV-JTQLQIEISA-N 1 0 199.244 3.280 10 0 AGAERO CCC[C@@H]([NH3+])c1cc(F)cc(F)c1C 104500021 574017371 /nfs/dbraw/zinc/01/73/71/574017371.db2.gz CPYHOGDGUQUWFP-LLVKDONJSA-N 1 0 199.244 3.073 10 0 AGAERO C[NH2+][C@@H](C1CCCCCCC1)C1CC1 87690461 574017483 /nfs/dbraw/zinc/01/74/83/574017483.db2.gz YQADVMDZOGZILK-ZDUSSCGKSA-N 1 0 195.350 3.345 10 0 AGAERO C=Cc1cccc([C@@H]2CCCC[NH2+]2)c1 104502418 574017503 /nfs/dbraw/zinc/01/75/03/574017503.db2.gz UYJUGLXRVSWTTG-ZDUSSCGKSA-N 1 0 187.286 3.144 10 0 AGAERO C=Cc1cccc([C@H]2CCCC[NH2+]2)c1 104502425 574017588 /nfs/dbraw/zinc/01/75/88/574017588.db2.gz UYJUGLXRVSWTTG-CYBMUJFWSA-N 1 0 187.286 3.144 10 0 AGAERO [NH3+][C@H](c1cccc(C(F)F)c1)C1CC1 104502785 574017613 /nfs/dbraw/zinc/01/76/13/574017613.db2.gz OJLPPEUWERICAJ-JTQLQIEISA-N 1 0 197.228 3.034 10 0 AGAERO CCC(CC)C[C@H]([NH2+]C)c1ccco1 128091527 574019529 /nfs/dbraw/zinc/01/95/29/574019529.db2.gz TZWDKYQZKJADLY-NSHDSACASA-N 1 0 195.306 3.366 10 0 AGAERO C[C@@H]1C[C@]1([NH3+])C1CCCCCCC1 87690637 574019206 /nfs/dbraw/zinc/01/92/06/574019206.db2.gz GDDKGUNWMATBFF-ZYHUDNBSSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@H](C)[C@@H](C[NH3+])C1=CCCCC1 128147292 574021046 /nfs/dbraw/zinc/02/10/46/574021046.db2.gz GTDRINRBZTZWIQ-CMPLNLGQSA-N 1 0 181.323 3.108 10 0 AGAERO CC[C@@H]([NH3+])c1c(C)oc2ccccc12 104516957 574023365 /nfs/dbraw/zinc/02/33/65/574023365.db2.gz XENDBOUBMOSZDV-SNVBAGLBSA-N 1 0 189.258 3.151 10 0 AGAERO CCC(CC)C[C@H]([NH3+])[C@@H](C)CC 128102362 574027504 /nfs/dbraw/zinc/02/75/04/574027504.db2.gz ZIEFKYNHXLLGCH-ONGXEEELSA-N 1 0 171.328 3.186 10 0 AGAERO C[NH2+][C@H](C)c1c(C)oc2ccccc12 104521917 574025692 /nfs/dbraw/zinc/02/56/92/574025692.db2.gz DZDOLASZXPFHSC-MRVPVSSYSA-N 1 0 189.258 3.022 10 0 AGAERO CCC(CC)C[C@@]1(C2CC2)CCC[NH2+]1 128166249 574025699 /nfs/dbraw/zinc/02/56/99/574025699.db2.gz IHYWOJYGEWODAA-CYBMUJFWSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@H](CCC(C)(C)C)[C@H](C)[NH3+] 49255685 574025813 /nfs/dbraw/zinc/02/58/13/574025813.db2.gz TUDWOCPBPIPMNR-VHSXEESVSA-N 1 0 171.328 3.186 10 0 AGAERO C[NH2+][C@@H](C)[C@@H](C)CCC(C)(C)C 49255649 574025834 /nfs/dbraw/zinc/02/58/34/574025834.db2.gz RFHYGFGZJOKBSH-UWVGGRQHSA-N 1 0 171.328 3.057 10 0 AGAERO CC[C@@H]([NH3+])CCCCc1ccccc1 49258682 574025865 /nfs/dbraw/zinc/02/58/65/574025865.db2.gz NWQSSEGRQQNTNW-CYBMUJFWSA-N 1 0 191.318 3.137 10 0 AGAERO CCC(CC)[C@]1([NH3+])CCC(C)(C)C1 87770008 574027526 /nfs/dbraw/zinc/02/75/26/574027526.db2.gz HVFDQTPAPCERFY-LBPRGKRZSA-N 1 0 183.339 3.330 10 0 AGAERO CCCCCC[C@@H](C)N1CCCC1=[NH2+] 49217088 574025907 /nfs/dbraw/zinc/02/59/07/574025907.db2.gz LTJJFDXRSFHFDB-LLVKDONJSA-N 1 0 196.338 3.418 10 0 AGAERO CC[NH2+][C@@H](C)[C@H](C)CCC(C)(C)C 49255659 574026185 /nfs/dbraw/zinc/02/61/85/574026185.db2.gz RTHHJBWHTUBNJL-MNOVXSKESA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@@H](C)CCCCc1ccccc1 49258699 574026370 /nfs/dbraw/zinc/02/63/70/574026370.db2.gz CTGRLXHEOSIGGQ-LBPRGKRZSA-N 1 0 191.318 3.007 10 0 AGAERO CC[C@@H](CCC(C)(C)C)[C@@H](C)[NH2+]C 49255688 574026385 /nfs/dbraw/zinc/02/63/85/574026385.db2.gz VMNVXQVVPHVSRL-MNOVXSKESA-N 1 0 185.355 3.447 10 0 AGAERO CCC[C@H]([NH3+])c1cc(C)c(C)s1 104517046 574026421 /nfs/dbraw/zinc/02/64/21/574026421.db2.gz RCIHSNGTVKOMLT-VIFPVBQESA-N 1 0 183.320 3.165 10 0 AGAERO CC[C@H](CCC(C)(C)C)[C@H](C)[NH2+]C 49255697 574026432 /nfs/dbraw/zinc/02/64/32/574026432.db2.gz VMNVXQVVPHVSRL-WDEREUQCSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@H](C)CCCCc1ccccc1 49258701 574026439 /nfs/dbraw/zinc/02/64/39/574026439.db2.gz CTGRLXHEOSIGGQ-GFCCVEGCSA-N 1 0 191.318 3.007 10 0 AGAERO CCC(CC)C[C@H]([NH2+]C)[C@H](C)CC 128103041 574026628 /nfs/dbraw/zinc/02/66/28/574026628.db2.gz UFJGZOKZHGQTCE-PWSUYJOCSA-N 1 0 185.355 3.447 10 0 AGAERO CCC(CC)C[C@H]([NH3+])[C@H](C)CC 128102137 574026651 /nfs/dbraw/zinc/02/66/51/574026651.db2.gz ZIEFKYNHXLLGCH-KOLCDFICSA-N 1 0 171.328 3.186 10 0 AGAERO Cc1cc([C@H]([NH3+])C(C)C)sc1C 104523988 574026695 /nfs/dbraw/zinc/02/66/95/574026695.db2.gz KLQKSKPYVRINJS-SNVBAGLBSA-N 1 0 183.320 3.021 10 0 AGAERO CCCCCC[C@H](C)N1CCCC1=[NH2+] 49217092 574026732 /nfs/dbraw/zinc/02/67/32/574026732.db2.gz LTJJFDXRSFHFDB-NSHDSACASA-N 1 0 196.338 3.418 10 0 AGAERO CC(C)[C@H]([NH3+])CCCC(C)(C)C 49255561 574026735 /nfs/dbraw/zinc/02/67/35/574026735.db2.gz XFNYBILLFRAYMJ-SNVBAGLBSA-N 1 0 171.328 3.186 10 0 AGAERO C[NH2+][C@@H](CCCC(C)(C)C)C(C)C 49255635 574026780 /nfs/dbraw/zinc/02/67/80/574026780.db2.gz KPXSAKZAVNJOTR-NSHDSACASA-N 1 0 185.355 3.447 10 0 AGAERO CC[C@@H](CCC(C)(C)C)[C@@H](C)[NH3+] 49255675 574026788 /nfs/dbraw/zinc/02/67/88/574026788.db2.gz TUDWOCPBPIPMNR-ZJUUUORDSA-N 1 0 171.328 3.186 10 0 AGAERO CC[C@H]([NH3+])CCCCc1ccccc1 49258680 574026847 /nfs/dbraw/zinc/02/68/47/574026847.db2.gz NWQSSEGRQQNTNW-ZDUSSCGKSA-N 1 0 191.318 3.137 10 0 AGAERO CCC(CC)C[C@@H]([NH2+]C)[C@@H](C)CC 128102849 574026862 /nfs/dbraw/zinc/02/68/62/574026862.db2.gz UFJGZOKZHGQTCE-CMPLNLGQSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@H](C(C)C)[C@@H]1CCC(C)(C)C1 87770846 574026982 /nfs/dbraw/zinc/02/69/82/574026982.db2.gz ASIXFJQNMXHAGL-GHMZBOCLSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@@H](CCC(C)(C)C)[C@H](C)[NH2+]C 49255693 574026993 /nfs/dbraw/zinc/02/69/93/574026993.db2.gz VMNVXQVVPHVSRL-QWRGUYRKSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@@H]1CCC[C@H]1CCC(C)(C)C 49255726 574027007 /nfs/dbraw/zinc/02/70/07/574027007.db2.gz DFJLFWWCSAOGCP-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H](CCC(C)(C)C)[C@@H](C)[NH2+]C 49255691 574027019 /nfs/dbraw/zinc/02/70/19/574027019.db2.gz VMNVXQVVPHVSRL-GHMZBOCLSA-N 1 0 185.355 3.447 10 0 AGAERO C[NH2+][C@@H](C(C)C)[C@@H]1CCC(C)(C)C1 87770844 574027103 /nfs/dbraw/zinc/02/71/03/574027103.db2.gz ASIXFJQNMXHAGL-MNOVXSKESA-N 1 0 183.339 3.057 10 0 AGAERO CCC(CC)C[C@@H]([NH2+]C)c1ccoc1 128108751 574027132 /nfs/dbraw/zinc/02/71/32/574027132.db2.gz IQPQYCOCSGAJKD-GFCCVEGCSA-N 1 0 195.306 3.366 10 0 AGAERO CCC(CC)C[C@H]([NH3+])c1ccoc1 128108049 574027198 /nfs/dbraw/zinc/02/71/98/574027198.db2.gz VVEMNGJJTGKCJM-NSHDSACASA-N 1 0 181.279 3.106 10 0 AGAERO CC1(C)CC[C@@]([NH3+])(C2CCCCC2)C1 87770201 574027201 /nfs/dbraw/zinc/02/72/01/574027201.db2.gz FUSGJNDXGUBKHH-ZDUSSCGKSA-N 1 0 195.350 3.474 10 0 AGAERO CC1(C)CC[C@]([NH3+])(c2cccs2)C1 87770337 574027266 /nfs/dbraw/zinc/02/72/66/574027266.db2.gz GASZOOQGXCNXBD-LLVKDONJSA-N 1 0 195.331 3.112 10 0 AGAERO CC(C)[C@@H]([NH3+])CCCC(C)(C)C 49255564 574027318 /nfs/dbraw/zinc/02/73/18/574027318.db2.gz XFNYBILLFRAYMJ-JTQLQIEISA-N 1 0 171.328 3.186 10 0 AGAERO CC[C@H](CCCC(C)(C)C)[NH2+]C 49255617 574027403 /nfs/dbraw/zinc/02/74/03/574027403.db2.gz VVSMGZSVDATNHQ-SNVBAGLBSA-N 1 0 171.328 3.201 10 0 AGAERO C[C@H]1CC[NH2+][C@]2(CCC(C)(C)C2)S1 87773478 574029012 /nfs/dbraw/zinc/02/90/12/574029012.db2.gz FXNHZGTUCDBSBT-GXSJLCMTSA-N 1 0 199.363 3.008 10 0 AGAERO CC[C@@H]1C[NH2+]CC[C@]12CCC(C)(C)C2 87773991 574028901 /nfs/dbraw/zinc/02/89/01/574028901.db2.gz CGCDLMQWYLJOLT-YPMHNXCESA-N 1 0 195.350 3.202 10 0 AGAERO CC[C@@H](C)C[C@]1([NH3+])CCC(C)(C)C1 87770218 574028483 /nfs/dbraw/zinc/02/84/83/574028483.db2.gz VOBFQOUOUHPSKB-ZYHUDNBSSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@H]1C[NH2+]CC[C@]12CCC(C)(C)C2 87773992 574028904 /nfs/dbraw/zinc/02/89/04/574028904.db2.gz CGCDLMQWYLJOLT-AAEUAGOBSA-N 1 0 195.350 3.202 10 0 AGAERO C[NH2+][C@@H](C(C)C)[C@H]1CCC(C)(C)C1 87770848 574028534 /nfs/dbraw/zinc/02/85/34/574028534.db2.gz ASIXFJQNMXHAGL-QWRGUYRKSA-N 1 0 183.339 3.057 10 0 AGAERO CCC(CC)[C@@]1([NH3+])CCC(C)(C)C1 87770010 574028541 /nfs/dbraw/zinc/02/85/41/574028541.db2.gz HVFDQTPAPCERFY-GFCCVEGCSA-N 1 0 183.339 3.330 10 0 AGAERO C[C@@H]1CC[NH2+][C@]2(CCC(C)(C)C2)S1 87773477 574028907 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1 0 199.363 3.008 10 0 AGAERO CC(C)c1ccc([C@@H]2C[C@H](C)[NH2+]2)cc1 259284387 574029978 /nfs/dbraw/zinc/02/99/78/574029978.db2.gz RPIFWGDBFJZTLB-GWCFXTLKSA-N 1 0 189.302 3.233 10 0 AGAERO CC(C)[NH2+]C[C@H]1C[C@]12CCC(C)(C)C2 87773564 574029984 /nfs/dbraw/zinc/02/99/84/574029984.db2.gz XVCDLANTQPVTLQ-YPMHNXCESA-N 1 0 195.350 3.201 10 0 AGAERO C[C@H]1CCS[C@]2(CCC(C)(C)C2)[NH2+]1 87773470 574030145 /nfs/dbraw/zinc/03/01/45/574030145.db2.gz PENRATNQZCAVNM-ONGXEEELSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]1C[NH2+][C@H](C2CCCCCC2)S1 85301171 574030191 /nfs/dbraw/zinc/03/01/91/574030191.db2.gz HOQCTTKKVYOGEW-KOLCDFICSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]1CS[C@@H](C2CCCCCC2)[NH2+]1 85309626 574031471 /nfs/dbraw/zinc/03/14/71/574031471.db2.gz CPJHYJLNQYTLGK-KOLCDFICSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]1CS[C@H](C2CCCCCC2)[NH2+]1 85309622 574031124 /nfs/dbraw/zinc/03/11/24/574031124.db2.gz CPJHYJLNQYTLGK-MWLCHTKSSA-N 1 0 199.363 3.008 10 0 AGAERO CC(C)[NH2+]CCCCC1(C)CCC1 686133640 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199.363 3.008 10 0 AGAERO CC[C@H]1CS[C@H](C2CCCCC2)[NH2+]1 85347468 574040436 /nfs/dbraw/zinc/04/04/36/574040436.db2.gz PRYHOQVZEYJTAC-WDEREUQCSA-N 1 0 199.363 3.008 10 0 AGAERO CC[C@@H]1CS[C@@H](C2CCCCC2)[NH2+]1 85347469 574040697 /nfs/dbraw/zinc/04/06/97/574040697.db2.gz PRYHOQVZEYJTAC-MNOVXSKESA-N 1 0 199.363 3.008 10 0 AGAERO C[C@H]1CC[NH2+][C@H](C2CCCCC2)S1 85342675 574040879 /nfs/dbraw/zinc/04/08/79/574040879.db2.gz FYQBVUPWCKSEJQ-ONGXEEELSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]1CC[NH2+][C@@H](C2CCCCC2)S1 85342676 574041056 /nfs/dbraw/zinc/04/10/56/574041056.db2.gz FYQBVUPWCKSEJQ-MWLCHTKSSA-N 1 0 199.363 3.008 10 0 AGAERO CCCc1ccc(C(=[NH2+])SC)cc1 259295901 574042521 /nfs/dbraw/zinc/04/25/21/574042521.db2.gz SGEUZGPJIADJQD-UHFFFAOYSA-N 1 0 193.315 3.327 10 0 AGAERO CC1(C)CS[C@H](C2CCCCC2)[NH2+]1 85349849 574042885 /nfs/dbraw/zinc/04/28/85/574042885.db2.gz BWWOKFCVBKJJFT-SNVBAGLBSA-N 1 0 199.363 3.008 10 0 AGAERO CC(C)CCCC[NH2+][C@@H](C)C1CC1 131825716 574046931 /nfs/dbraw/zinc/04/69/31/574046931.db2.gz XBJIRACTDNBHTQ-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO CCCC(F)(F)c1ccc(C[NH3+])cc1 259299589 574046167 /nfs/dbraw/zinc/04/61/67/574046167.db2.gz CKAIIFLJBYFQQO-UHFFFAOYSA-N 1 0 199.244 3.037 10 0 AGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)o1 35733268 486716309 /nfs/dbraw/zinc/71/63/09/486716309.db2.gz DJGIEIOJGZDSJZ-UWVGGRQHSA-N 1 0 193.290 3.037 10 0 AGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC2(C)C)o1 45115307 486729699 /nfs/dbraw/zinc/72/96/99/486729699.db2.gz WZQYEJKLVUYLQH-ONGXEEELSA-N 1 0 193.290 3.037 10 0 AGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)o1 45115305 486730012 /nfs/dbraw/zinc/73/00/12/486730012.db2.gz WZQYEJKLVUYLQH-KOLCDFICSA-N 1 0 193.290 3.037 10 0 AGAERO C[C@H]([NH2+][C@@H]1CC1(C)C)C1CCCCC1 45117383 486730857 /nfs/dbraw/zinc/73/08/57/486730857.db2.gz RVPRXBBKTSCQIU-CMPLNLGQSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccccc1 45115963 486730900 /nfs/dbraw/zinc/73/09/00/486730900.db2.gz IOFCHJGRZXAXQL-JQWIXIFHSA-N 1 0 189.302 3.136 10 0 AGAERO C[C@H]([NH2+][C@H]1CC1(C)C)c1cccs1 45115754 486731214 /nfs/dbraw/zinc/73/12/14/486731214.db2.gz MOXNHQJESSBLHY-WPRPVWTQSA-N 1 0 195.331 3.197 10 0 AGAERO CCC[C@@H](C)[N@H+](CC)Cc1ccoc1 669689252 486731491 /nfs/dbraw/zinc/73/14/91/486731491.db2.gz CJXBZDACLAZRKN-LLVKDONJSA-N 1 0 195.306 3.290 10 0 AGAERO CCC[C@H](C)[N@H+](CC)Cc1ccoc1 669689253 486731638 /nfs/dbraw/zinc/73/16/38/486731638.db2.gz CJXBZDACLAZRKN-NSHDSACASA-N 1 0 195.306 3.290 10 0 AGAERO CC(C)C[N@H+](C)C[C@@H](C)C(C)(C)C 670262028 486737149 /nfs/dbraw/zinc/73/71/49/486737149.db2.gz FCNXFGIYJQYOTC-LLVKDONJSA-N 1 0 185.355 3.256 10 0 AGAERO CC(C)C[N@H+](C)C[C@H](C)C(C)(C)C 670262029 486737617 /nfs/dbraw/zinc/73/76/17/486737617.db2.gz FCNXFGIYJQYOTC-NSHDSACASA-N 1 0 185.355 3.256 10 0 AGAERO CCCCC[NH2+][C@H](CC)CCC 50400981 486737683 /nfs/dbraw/zinc/73/76/83/486737683.db2.gz GOSVNLXWESTUAR-LLVKDONJSA-N 1 0 171.328 3.345 10 0 AGAERO CCCCC[NH2+][C@@H](CC)CCC 50400979 486737933 /nfs/dbraw/zinc/73/79/33/486737933.db2.gz GOSVNLXWESTUAR-NSHDSACASA-N 1 0 171.328 3.345 10 0 AGAERO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccsc1 50345001 486737978 /nfs/dbraw/zinc/73/79/78/486737978.db2.gz DCQYITHHHSJHGU-WPRPVWTQSA-N 1 0 195.331 3.197 10 0 AGAERO C[C@H](C[N@@H+]1CC[C@@H](C)[C@H]1C)C(C)(C)C 670265272 486738009 /nfs/dbraw/zinc/73/80/09/486738009.db2.gz CREMCFDWGFZQKS-IJLUTSLNSA-N 1 0 197.366 3.399 10 0 AGAERO CC1C[NH+](C[C@H]2CCCC(C)(C)C2)C1 670270624 486738015 /nfs/dbraw/zinc/73/80/15/486738015.db2.gz BIEWRRHEGRPFLH-LBPRGKRZSA-N 1 0 195.350 3.155 10 0 AGAERO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccsc1 50344998 486738055 /nfs/dbraw/zinc/73/80/55/486738055.db2.gz DCQYITHHHSJHGU-WCBMZHEXSA-N 1 0 195.331 3.197 10 0 AGAERO CCC[N@H+](C)C[C@H](C)C(C)(C)C 670262058 486738195 /nfs/dbraw/zinc/73/81/95/486738195.db2.gz JLMWZZNTIZCWAO-JTQLQIEISA-N 1 0 171.328 3.010 10 0 AGAERO C[C@H]1[C@H](C)CC[N@H+]1C[C@H](C)C(C)(C)C 670265274 486738512 /nfs/dbraw/zinc/73/85/12/486738512.db2.gz CREMCFDWGFZQKS-WOPDTQHZSA-N 1 0 197.366 3.399 10 0 AGAERO CC1C[NH+](C[C@@H]2CCCC(C)(C)C2)C1 670270623 486738611 /nfs/dbraw/zinc/73/86/11/486738611.db2.gz BIEWRRHEGRPFLH-GFCCVEGCSA-N 1 0 195.350 3.155 10 0 AGAERO CCC[N@H+](C)C[C@@H](C)C(C)(C)C 670262059 486738692 /nfs/dbraw/zinc/73/86/92/486738692.db2.gz JLMWZZNTIZCWAO-SNVBAGLBSA-N 1 0 171.328 3.010 10 0 AGAERO C[C@@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)[C@@H]1C 670265271 486738736 /nfs/dbraw/zinc/73/87/36/486738736.db2.gz CREMCFDWGFZQKS-GRYCIOLGSA-N 1 0 197.366 3.399 10 0 AGAERO CC(C)C1C[NH+](C[C@@H](C)C(C)(C)C)C1 670270422 486738754 /nfs/dbraw/zinc/73/87/54/486738754.db2.gz CLSMZGUOWKTSQZ-LLVKDONJSA-N 1 0 197.366 3.256 10 0 AGAERO C[C@H]1[C@H](C)CC[N@H+]1C[C@@H](C)C(C)(C)C 670265273 486738836 /nfs/dbraw/zinc/73/88/36/486738836.db2.gz CREMCFDWGFZQKS-UTUOFQBUSA-N 1 0 197.366 3.399 10 0 AGAERO CC(C)C1C[NH+](C[C@H](C)C(C)(C)C)C1 670270423 486738850 /nfs/dbraw/zinc/73/88/50/486738850.db2.gz CLSMZGUOWKTSQZ-NSHDSACASA-N 1 0 197.366 3.256 10 0 AGAERO CC[NH2+][C@H](c1ccccc1F)C(C)C 52898000 486746047 /nfs/dbraw/zinc/74/60/47/486746047.db2.gz PGXXGBZVUYFMGE-LBPRGKRZSA-N 1 0 195.281 3.132 10 0 AGAERO CC1C[NH+](CC2CCC(C)(C)CC2)C1 670270665 486739841 /nfs/dbraw/zinc/73/98/41/486739841.db2.gz YYTAJYVZWLAZIA-UHFFFAOYSA-N 1 0 195.350 3.155 10 0 AGAERO CC(C)CC(CC(C)C)[NH2+][C@H]1C[C@H]1C 52272031 486743730 /nfs/dbraw/zinc/74/37/30/486743730.db2.gz OHGRFQFLIKMELR-YPMHNXCESA-N 1 0 197.366 3.445 10 0 AGAERO CCCC1CCC([NH2+][C@H]2C[C@@H]2C)CC1 52272575 486743806 /nfs/dbraw/zinc/74/38/06/486743806.db2.gz DZECKYPEPHLVOH-WTIISPKJSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1C[C@@H]1C 52269028 486743846 /nfs/dbraw/zinc/74/38/46/486743846.db2.gz FYMYFUZMKISBNO-FIQHERPVSA-N 1 0 183.339 3.199 10 0 AGAERO CC(C)CC(CC(C)C)[NH2+][C@@H]1C[C@H]1C 52272035 486743854 /nfs/dbraw/zinc/74/38/54/486743854.db2.gz OHGRFQFLIKMELR-DGCLKSJQSA-N 1 0 197.366 3.445 10 0 AGAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)s1 52269108 486743861 /nfs/dbraw/zinc/74/38/61/486743861.db2.gz VFTKNJQIWRIBNI-HGNGGELXSA-N 1 0 195.331 3.116 10 0 AGAERO CCCC1CCC([NH2+][C@@H]2C[C@H]2C)CC1 52272578 486743877 /nfs/dbraw/zinc/74/38/77/486743877.db2.gz DZECKYPEPHLVOH-IKWCTNDRSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1 52271287 486743944 /nfs/dbraw/zinc/74/39/44/486743944.db2.gz YNUBRTQAUIQGSK-WCFLWFBJSA-N 1 0 189.302 3.136 10 0 AGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C 52270689 486743947 /nfs/dbraw/zinc/74/39/47/486743947.db2.gz BVVYUMLNSCNXCO-GMXVVIOVSA-N 1 0 189.302 3.054 10 0 AGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccs1 52272176 486743975 /nfs/dbraw/zinc/74/39/75/486743975.db2.gz JUMOAAWPUWPJSA-GUBZILKMSA-N 1 0 195.331 3.197 10 0 AGAERO CCCC1CCC([NH2+][C@H]2C[C@H]2C)CC1 52272580 486744019 /nfs/dbraw/zinc/74/40/19/486744019.db2.gz DZECKYPEPHLVOH-XVSSEFHLSA-N 1 0 195.350 3.343 10 0 AGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)s1 52269102 486744069 /nfs/dbraw/zinc/74/40/69/486744069.db2.gz 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63144444 486769394 /nfs/dbraw/zinc/76/93/94/486769394.db2.gz QFHMOMSAJLPPQI-CXQJBGSLSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@@H](C)C[NH2+]Cc1ccsc1 63152272 486769521 /nfs/dbraw/zinc/76/95/21/486769521.db2.gz PSWJXXQZMBTXSN-SNVBAGLBSA-N 1 0 197.347 3.274 10 0 AGAERO CC[C@@H](C)[NH2+]CC1CCC(C)CC1 63144336 486769568 /nfs/dbraw/zinc/76/95/68/486769568.db2.gz WHMXFIKFCXCCKY-MOENNCHZSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@H](C)[NH2+]CC1CCC(C)CC1 63144338 486769680 /nfs/dbraw/zinc/76/96/80/486769680.db2.gz WHMXFIKFCXCCKY-CXQJBGSLSA-N 1 0 183.339 3.201 10 0 AGAERO CC1CCC(C[NH2+][C@@H](C)C(C)C)CC1 63144408 486769769 /nfs/dbraw/zinc/76/97/69/486769769.db2.gz CEQIVVBFFHFZCQ-CPCZMJQVSA-N 1 0 197.366 3.447 10 0 AGAERO CC1CCC(C[NH2+][C@H](C)C(C)C)CC1 63144409 486769860 /nfs/dbraw/zinc/76/98/60/486769860.db2.gz CEQIVVBFFHFZCQ-OTTFEQOBSA-N 1 0 197.366 3.447 10 0 AGAERO CC1CCC(C[NH2+][C@H](C)C2CC2)CC1 63144445 486769908 /nfs/dbraw/zinc/76/99/08/486769908.db2.gz QFHMOMSAJLPPQI-MOENNCHZSA-N 1 0 195.350 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/nfs/dbraw/zinc/17/61/82/487176182.db2.gz AZMCZEPZBBAWFM-WXHSDQCUSA-N 1 0 193.334 3.097 10 0 AGAERO C1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 307283056 487178368 /nfs/dbraw/zinc/17/83/68/487178368.db2.gz HXYCCWGGUOGCPH-QWHCGFSZSA-N 1 0 193.334 3.097 10 0 AGAERO C1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 307283049 487178414 /nfs/dbraw/zinc/17/84/14/487178414.db2.gz HXYCCWGGUOGCPH-CHWSQXEVSA-N 1 0 193.334 3.097 10 0 AGAERO C1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)C1 307283090 487178435 /nfs/dbraw/zinc/17/84/35/487178435.db2.gz HXYCCWGGUOGCPH-STQMWFEESA-N 1 0 193.334 3.097 10 0 AGAERO C1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 307283052 487178443 /nfs/dbraw/zinc/17/84/43/487178443.db2.gz HXYCCWGGUOGCPH-OLZOCXBDSA-N 1 0 193.334 3.097 10 0 AGAERO CCC[C@H](C)[N@@H+]1C[C@@H]2CCCC[C@@H]21 307389904 487180262 /nfs/dbraw/zinc/18/02/62/487180262.db2.gz AEVSSLBHAZOWIT-SRVKXCTJSA-N 1 0 181.323 3.049 10 0 AGAERO CCC[C@H](C)[N@H+]1CC(C)=C[C@@H](C)C1 307521454 487182923 /nfs/dbraw/zinc/18/29/23/487182923.db2.gz 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NTXGYRLSWVLLOP-SYLRKERUSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@H]([NH2+][C@H]1CC[C@H](C)CC1)[C@@H]1C[C@H]1C 307566073 487183757 /nfs/dbraw/zinc/18/37/57/487183757.db2.gz NTXGYRLSWVLLOP-UJPOAAIJSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@H]1[C@H](C)C[C@H]1[NH2+]CC1=CCCCC1 307585268 487185103 /nfs/dbraw/zinc/18/51/03/487185103.db2.gz LEWXGASSPJJCQW-NTZNESFSSA-N 1 0 193.334 3.121 10 0 AGAERO C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C 307585269 487185135 /nfs/dbraw/zinc/18/51/35/487185135.db2.gz LEWXGASSPJJCQW-WZRBSPASSA-N 1 0 193.334 3.121 10 0 AGAERO C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)[C@@H]1C 307585267 487185367 /nfs/dbraw/zinc/18/53/67/487185367.db2.gz LEWXGASSPJJCQW-NQBHXWOUSA-N 1 0 193.334 3.121 10 0 AGAERO C[C@@H]1[C@@H]([NH2+]CC2=CCCCC2)C[C@H]1C 307585266 487185502 /nfs/dbraw/zinc/18/55/02/487185502.db2.gz LEWXGASSPJJCQW-MDZLAQPJSA-N 1 0 193.334 3.121 10 0 AGAERO C[C@@H](CCC(C)(C)C)[NH2+]CC(F)F 308187641 487195961 /nfs/dbraw/zinc/19/59/61/487195961.db2.gz LCNHHORZXWAQIZ-QMMMGPOBSA-N 1 0 193.281 3.056 10 0 AGAERO C[C@H](CCC(C)(C)C)[NH2+]CC(F)F 308187640 487196427 /nfs/dbraw/zinc/19/64/27/487196427.db2.gz LCNHHORZXWAQIZ-MRVPVSSYSA-N 1 0 193.281 3.056 10 0 AGAERO CCCC[N@H+](C)C[C@@H](C)C(C)(C)C 308220409 487196837 /nfs/dbraw/zinc/19/68/37/487196837.db2.gz KYQVOWLQIZSQIE-LLVKDONJSA-N 1 0 185.355 3.401 10 0 AGAERO CCCC[N@H+](C)C[C@H](C)C(C)(C)C 308220411 487196983 /nfs/dbraw/zinc/19/69/83/487196983.db2.gz KYQVOWLQIZSQIE-NSHDSACASA-N 1 0 185.355 3.401 10 0 AGAERO CCC(C)(C)C[NH2+][C@H](C)[C@H]1C[C@@H]1C 321026847 487211158 /nfs/dbraw/zinc/21/11/58/487211158.db2.gz CGPMRXAHXGTVJN-AXFHLTTASA-N 1 0 183.339 3.057 10 0 AGAERO C[C@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)C1CCCC1 321349226 487213149 /nfs/dbraw/zinc/21/31/49/487213149.db2.gz CJJDBGSPRNXJSV-BLFANLJRSA-N 1 0 195.350 3.199 10 0 AGAERO C(C[NH2+][C@@H]1CCC12CCC2)CC1CC1 308488445 487201853 /nfs/dbraw/zinc/20/18/53/487201853.db2.gz ATQDNPQMVZLCPB-GFCCVEGCSA-N 1 0 193.334 3.099 10 0 AGAERO C(C[NH2+][C@H]1CCC12CCC2)CC1CC1 308488447 487202297 /nfs/dbraw/zinc/20/22/97/487202297.db2.gz ATQDNPQMVZLCPB-LBPRGKRZSA-N 1 0 193.334 3.099 10 0 AGAERO CC(C)CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C 308505974 487202408 /nfs/dbraw/zinc/20/24/08/487202408.db2.gz IRAXNNDRGZCBTA-YNEHKIRRSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)C([NH2+][C@@H]1C[C@H](C)[C@@H]1C)C(C)C 308505846 487202448 /nfs/dbraw/zinc/20/24/48/487202448.db2.gz IOGLCFCOOYQUEX-SDDRHHMPSA-N 1 0 197.366 3.301 10 0 AGAERO CC(C)[C@H](C)C[NH2+][C@@H]1CCC12CCC2 308525113 487202607 /nfs/dbraw/zinc/20/26/07/487202607.db2.gz QLDZSNMODPSGSW-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(C)C 308512148 487202618 /nfs/dbraw/zinc/20/26/18/487202618.db2.gz CPSYMMKPTUSXFT-QNWHQSFQSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)[C@@H](C)C[NH2+][C@H]1CCC12CCC2 308525110 487202642 /nfs/dbraw/zinc/20/26/42/487202642.db2.gz QLDZSNMODPSGSW-RYUDHWBXSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C 308505971 487202657 /nfs/dbraw/zinc/20/26/57/487202657.db2.gz IRAXNNDRGZCBTA-UPJWGTAASA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@H](C)C[NH2+][C@H]1CCC12CCC2 308525105 487202808 /nfs/dbraw/zinc/20/28/08/487202808.db2.gz QLDZSNMODPSGSW-NEPJUHHUSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@@H](C)C[NH2+][C@@H]1CCC12CCC2 308525107 487202814 /nfs/dbraw/zinc/20/28/14/487202814.db2.gz QLDZSNMODPSGSW-NWDGAFQWSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)C(C)(C)C 308555860 487203144 /nfs/dbraw/zinc/20/31/44/487203144.db2.gz SFXZZWXGYNWUNR-TUAOUCFPSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)C(C)(C)C 308555862 487203231 /nfs/dbraw/zinc/20/32/31/487203231.db2.gz SFXZZWXGYNWUNR-UTUOFQBUSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](C)C(C)(C)C 308555855 487203306 /nfs/dbraw/zinc/20/33/06/487203306.db2.gz SFXZZWXGYNWUNR-IJLUTSLNSA-N 1 0 197.366 3.447 10 0 AGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)C(C)(C)C 308555857 487203418 /nfs/dbraw/zinc/20/34/18/487203418.db2.gz SFXZZWXGYNWUNR-QJPTWQEYSA-N 1 0 197.366 3.447 10 0 AGAERO CCCC(CCC)[NH2+][C@@H]1[C@H]2CCC[C@H]21 308583806 487204377 /nfs/dbraw/zinc/20/43/77/487204377.db2.gz HPNNUZWEJSXTPG-ITGUQSILSA-N 1 0 195.350 3.343 10 0 AGAERO CC(C)CC[C@H]([NH2+][C@@H]1C[C@H]1C)C1CC1 308610009 487205056 /nfs/dbraw/zinc/20/50/56/487205056.db2.gz XWSKRKPNVOYKFO-KGYLQXTDSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)CC[C@H]([NH2+][C@H]1C[C@H]1C)C1CC1 308610014 487205183 /nfs/dbraw/zinc/20/51/83/487205183.db2.gz XWSKRKPNVOYKFO-WXHSDQCUSA-N 1 0 195.350 3.199 10 0 AGAERO CCCCC[NH2+][C@H]1CC[C@H]1C1CCC1 308609989 487205224 /nfs/dbraw/zinc/20/52/24/487205224.db2.gz QKUPTXNJUNKEFI-STQMWFEESA-N 1 0 195.350 3.345 10 0 AGAERO CCCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 308609981 487205272 /nfs/dbraw/zinc/20/52/72/487205272.db2.gz QKUPTXNJUNKEFI-CHWSQXEVSA-N 1 0 195.350 3.345 10 0 AGAERO CCCCC[NH2+][C@@H]1CC[C@H]1C1CCC1 308609986 487205414 /nfs/dbraw/zinc/20/54/14/487205414.db2.gz QKUPTXNJUNKEFI-QWHCGFSZSA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)CC[C@H]([NH2+][C@H]1C[C@@H]1C)C1CC1 308610006 487205484 /nfs/dbraw/zinc/20/54/84/487205484.db2.gz XWSKRKPNVOYKFO-DRZSPHRISA-N 1 0 195.350 3.199 10 0 AGAERO CCCCC[NH2+][C@H]1CC[C@@H]1C1CCC1 308609984 487205516 /nfs/dbraw/zinc/20/55/16/487205516.db2.gz QKUPTXNJUNKEFI-OLZOCXBDSA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)CC[C@H]([NH2+][C@@H]1C[C@@H]1C)C1CC1 308610012 487205605 /nfs/dbraw/zinc/20/56/05/487205605.db2.gz XWSKRKPNVOYKFO-WCFLWFBJSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)=CC[NH2+][C@H]1CC[C@@H]1C1CCC1 308650177 487205991 /nfs/dbraw/zinc/20/59/91/487205991.db2.gz JXRNRWDWWZGIBH-OLZOCXBDSA-N 1 0 193.334 3.121 10 0 AGAERO CC(C)=CC[NH2+][C@@H]1CC[C@H]1C1CCC1 308650178 487206026 /nfs/dbraw/zinc/20/60/26/487206026.db2.gz JXRNRWDWWZGIBH-QWHCGFSZSA-N 1 0 193.334 3.121 10 0 AGAERO CC(C)=CC[NH2+][C@H]1CC[C@H]1C1CCC1 308650179 487206358 /nfs/dbraw/zinc/20/63/58/487206358.db2.gz JXRNRWDWWZGIBH-STQMWFEESA-N 1 0 193.334 3.121 10 0 AGAERO 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VEOULAASYQHHMY-SDDRHHMPSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H](C)[NH2+]Cc1c(C)cccc1F 388737156 697991236 /nfs/dbraw/zinc/99/12/36/697991236.db2.gz HNUMHSBKTMPLDM-SNVBAGLBSA-N 1 0 195.281 3.022 10 0 AGAERO CC[C@H](C)[NH2+]Cc1c(C)cccc1F 388737146 697991571 /nfs/dbraw/zinc/99/15/71/697991571.db2.gz HNUMHSBKTMPLDM-JTQLQIEISA-N 1 0 195.281 3.022 10 0 AGAERO CC(C)[N@H+](C[Si](C)(C)C)C1CCC1 388754603 697993019 /nfs/dbraw/zinc/99/30/19/697993019.db2.gz CNBIPKIKMDIJGZ-UHFFFAOYSA-N 1 0 199.414 3.127 10 0 AGAERO CCCCCC[N@@H+]1CCCC1(C)C 388829391 697998747 /nfs/dbraw/zinc/99/87/47/697998747.db2.gz VVWMHNVKHPTFHS-UHFFFAOYSA-N 1 0 183.339 3.441 10 0 AGAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C1(C)CC1 389220641 698005075 /nfs/dbraw/zinc/00/50/75/698005075.db2.gz NCQBKTIVUCJVIN-SRVKXCTJSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)C1(C)CC1 389220640 698005118 /nfs/dbraw/zinc/00/51/18/698005118.db2.gz NCQBKTIVUCJVIN-SDDRHHMPSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)C1(C)CC1 389220639 698005133 /nfs/dbraw/zinc/00/51/33/698005133.db2.gz NCQBKTIVUCJVIN-GRYCIOLGSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)C1(C)CC1 389220642 698005214 /nfs/dbraw/zinc/00/52/14/698005214.db2.gz NCQBKTIVUCJVIN-WOPDTQHZSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)C 389233657 698005444 /nfs/dbraw/zinc/00/54/44/698005444.db2.gz VHDSVBJIRKRURM-XQQFMLRXSA-N 1 0 197.366 3.445 10 0 AGAERO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)C 389233655 698005578 /nfs/dbraw/zinc/00/55/78/698005578.db2.gz VHDSVBJIRKRURM-RWMBFGLXSA-N 1 0 197.366 3.445 10 0 AGAERO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)C 389233658 698005582 /nfs/dbraw/zinc/00/55/82/698005582.db2.gz VHDSVBJIRKRURM-YNEHKIRRSA-N 1 0 197.366 3.445 10 0 AGAERO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)C 389233653 698005638 /nfs/dbraw/zinc/00/56/38/698005638.db2.gz VHDSVBJIRKRURM-AVGNSLFASA-N 1 0 197.366 3.445 10 0 AGAERO 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/nfs/dbraw/zinc/02/07/61/698020761.db2.gz YZSGQHOTAGLBLO-OLZOCXBDSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@H]1CC[C@H]1[NH2+]CC1CCCC1 393677271 698021030 /nfs/dbraw/zinc/02/10/30/698021030.db2.gz YZSGQHOTAGLBLO-CHWSQXEVSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(C)CCC1 393683988 698021494 /nfs/dbraw/zinc/02/14/94/698021494.db2.gz LLZSCVKIPOPNMT-NWDGAFQWSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(C)CCC1 393683981 698021553 /nfs/dbraw/zinc/02/15/53/698021553.db2.gz LLZSCVKIPOPNMT-NEPJUHHUSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@H]1CC[C@H]1[NH2+]CC1(C)CCC1 393683997 698021688 /nfs/dbraw/zinc/02/16/88/698021688.db2.gz LLZSCVKIPOPNMT-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(C)CCC1 393683993 698021725 /nfs/dbraw/zinc/02/17/25/698021725.db2.gz LLZSCVKIPOPNMT-RYUDHWBXSA-N 1 0 195.350 3.201 10 0 AGAERO CCCCC[NH2+][C@H](C)[C@H]1CC1(C)C 393713547 698023872 /nfs/dbraw/zinc/02/38/72/698023872.db2.gz DNSWWONDDNJIOW-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO CCCCC[NH2+][C@@H](C)[C@H]1CC1(C)C 393713553 698024034 /nfs/dbraw/zinc/02/40/34/698024034.db2.gz DNSWWONDDNJIOW-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO CCCCC[C@@H](C)[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 397773046 698039778 /nfs/dbraw/zinc/03/97/78/698039778.db2.gz VZPLIJISSSZQJV-FVCCEPFGSA-N 1 0 195.350 3.343 10 0 AGAERO CCCCC[C@H](C)[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 397773051 698039865 /nfs/dbraw/zinc/03/98/65/698039865.db2.gz VZPLIJISSSZQJV-RVMXOQNASA-N 1 0 195.350 3.343 10 0 AGAERO C[C@@H](CC(C)(C)C)[NH2+]CC[C@@H](C)F 705781658 698054014 /nfs/dbraw/zinc/05/40/14/698054014.db2.gz UBVNNXBBWJVSPI-ZJUUUORDSA-N 1 0 189.318 3.149 10 0 AGAERO C[C@H](F)CC[NH2+][C@@H](C)CC(C)(C)C 705781655 698054085 /nfs/dbraw/zinc/05/40/85/698054085.db2.gz UBVNNXBBWJVSPI-UWVGGRQHSA-N 1 0 189.318 3.149 10 0 AGAERO C[C@@H](F)CC[NH2+][C@H](C)CC(C)(C)C 705781653 698054123 /nfs/dbraw/zinc/05/41/23/698054123.db2.gz UBVNNXBBWJVSPI-NXEZZACHSA-N 1 0 189.318 3.149 10 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NGYQYXCGPJNJOZ-LBPRGKRZSA-N 1 0 193.334 3.123 10 0 AGAERO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)C1CC1 527787274 325650276 /nfs/dbraw/zinc/65/02/76/325650276.db2.gz IMFSEFOCXVIDEZ-NEPJUHHUSA-N 1 0 193.334 3.121 10 0 AGAERO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)C1CC1 527787278 325650284 /nfs/dbraw/zinc/65/02/84/325650284.db2.gz IMFSEFOCXVIDEZ-NWDGAFQWSA-N 1 0 193.334 3.121 10 0 AGAERO CC[C@H](C)[NH2+]CC[C@@H]1CC=CCC1 527981540 325654438 /nfs/dbraw/zinc/65/44/38/325654438.db2.gz KMIRQSSZWAPEQA-NWDGAFQWSA-N 1 0 181.323 3.121 10 0 AGAERO CC(C)[C@@H](C)[NH2+]CC[C@H]1CC=CCC1 527986569 325654439 /nfs/dbraw/zinc/65/44/39/325654439.db2.gz PNQGCUCNNVZRHH-OLZOCXBDSA-N 1 0 195.350 3.367 10 0 AGAERO CC1(C)CC(C[NH+]2C3CCC2CC3)C1 528349946 325656716 /nfs/dbraw/zinc/65/67/16/325656716.db2.gz QQPVTTSYHHQOQZ-UHFFFAOYSA-N 1 0 193.334 3.049 10 0 AGAERO C[C@H]1C[NH2+][C@H](c2ccc(Cl)cc2)C1 3704322 342983697 /nfs/dbraw/zinc/98/36/97/342983697.db2.gz FSOXCWDOKWTCTB-KCJUWKMLSA-N 1 0 195.693 3.011 10 0 AGAERO 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/nfs/dbraw/zinc/80/92/12/166809212.db2.gz YKLPCZMZROZLJA-UHFFFAOYSA-N 1 0 183.339 3.330 10 0 AGAERO CCC1=CC(C)(C)[N@H+](C)C(C)(C)C1 5819524 166809991 /nfs/dbraw/zinc/80/99/91/166809991.db2.gz OGPGUQWXWFCVNG-UHFFFAOYSA-N 1 0 181.323 3.216 10 0 AGAERO CCC1=[N+](C)c2ccccc2C1(C)C 1759890 166811739 /nfs/dbraw/zinc/81/17/39/166811739.db2.gz DHXRFUAOVFHKPM-UHFFFAOYSA-N 1 0 188.294 3.103 10 0 AGAERO CCC1CCC([NH3+])(C2CCCC2)CC1 37376690 166813692 /nfs/dbraw/zinc/81/36/92/166813692.db2.gz UKYSURGJZFWIDL-UHFFFAOYSA-N 1 0 195.350 3.474 10 0 AGAERO CCCC(CCC)[NH2+][C@@H]1CC1(C)C 45115367 166834551 /nfs/dbraw/zinc/83/45/51/166834551.db2.gz XTLJDXFMZKXREW-LLVKDONJSA-N 1 0 183.339 3.343 10 0 AGAERO CCCC1(CCC)C[C@H]1C[NH2+]CC 54591317 166836769 /nfs/dbraw/zinc/83/67/69/166836769.db2.gz COFQZKZQNTYTSN-NSHDSACASA-N 1 0 183.339 3.202 10 0 AGAERO CCCC1(CCC)CC(C)(C)[NH2+]1 205529075 166836816 /nfs/dbraw/zinc/83/68/16/166836816.db2.gz VJMWPHGVWSFDFW-UHFFFAOYSA-N 1 0 169.312 3.097 10 0 AGAERO CCCC1(C[NH3+])CC2(CCCCC2)C1 77295912 166838052 /nfs/dbraw/zinc/83/80/52/166838052.db2.gz SDYYRRGPSDYLKA-UHFFFAOYSA-N 1 0 195.350 3.476 10 0 AGAERO CCCCCC[C@@H]([NH3+])c1ccncc1 53817147 166855676 /nfs/dbraw/zinc/85/56/76/166855676.db2.gz OKAPIIQJYPGAPR-GFCCVEGCSA-N 1 0 192.306 3.052 10 0 AGAERO CCCCCC[C@@H]1CCC[C@H]1[NH3+] 42397916 166856380 /nfs/dbraw/zinc/85/63/80/166856380.db2.gz GBCQIEGBDPCFRX-GHMZBOCLSA-N 1 0 169.312 3.084 10 0 AGAERO CCCCCC[C@H]1CCC[C@H]1[NH2+]C 42398681 166856404 /nfs/dbraw/zinc/85/64/04/166856404.db2.gz VAQXSTOFIICAPP-NWDGAFQWSA-N 1 0 183.339 3.345 10 0 AGAERO CCCCCC[C@H](CC)[C@@H](C)[NH3+] 38004391 166857577 /nfs/dbraw/zinc/85/75/77/166857577.db2.gz DIXPPZHMRYLQQA-MNOVXSKESA-N 1 0 171.328 3.330 10 0 AGAERO CCCCCC[C@H]1CCC[C@@H]1[NH3+] 42397912 166858068 /nfs/dbraw/zinc/85/80/68/166858068.db2.gz GBCQIEGBDPCFRX-QWRGUYRKSA-N 1 0 169.312 3.084 10 0 AGAERO CCCCCC[C@@H]1CCC[C@H]1[NH2+]C 42398679 166858138 /nfs/dbraw/zinc/85/81/38/166858138.db2.gz VAQXSTOFIICAPP-VXGBXAGGSA-N 1 0 183.339 3.345 10 0 AGAERO CCCCC[NH2+]C1(C)CCCCC1 45042517 166863802 /nfs/dbraw/zinc/86/38/02/166863802.db2.gz VQZILXZIEQXQFF-UHFFFAOYSA-N 1 0 183.339 3.489 10 0 AGAERO CCCCC[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2 39112510 166865617 /nfs/dbraw/zinc/86/56/17/166865617.db2.gz UCJLMFKNJIYYPU-XQQFMLRXSA-N 1 0 195.350 3.202 10 0 AGAERO CCCCC[NH2+]C[C@H](C)CCC 21515652 166865685 /nfs/dbraw/zinc/86/56/85/166865685.db2.gz AUYDXLMJZDORQK-LLVKDONJSA-N 1 0 171.328 3.202 10 0 AGAERO CCCCC[NH2+]CCc1ccsc1 42599853 166867410 /nfs/dbraw/zinc/86/74/10/166867410.db2.gz ZNBWQDVCNVEZPL-UHFFFAOYSA-N 1 0 197.347 3.070 10 0 AGAERO CCCCC[C@@H](C)[C@H](C)[NH2+]CC 38001269 166870275 /nfs/dbraw/zinc/87/02/75/166870275.db2.gz WNEUWTUSNHHFJP-MNOVXSKESA-N 1 0 171.328 3.201 10 0 AGAERO CCCCC[C@@H](C)[NH+]1CCCCC1 87492693 166870925 /nfs/dbraw/zinc/87/09/25/166870925.db2.gz HICFBGAAUGIFGF-GFCCVEGCSA-N 1 0 183.339 3.441 10 0 AGAERO CCCCC[C@@H](C)N1CCCC1=[NH2+] 42571426 166871147 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CCC[C@H](CC)N1CCCCC1=[NH2+] 50405528 167076818 /nfs/dbraw/zinc/07/68/18/167076818.db2.gz XIUNFHAWZWWUMX-JTQLQIEISA-N 1 0 182.311 3.028 10 0 AGAERO CCC[C@H](CC[C@@H](C)CC)[NH2+]C 50426123 167076834 /nfs/dbraw/zinc/07/68/34/167076834.db2.gz IVQLBCOCMKRVGW-WDEREUQCSA-N 1 0 171.328 3.201 10 0 AGAERO CCC[C@H](CC[NH2+]C)c1ccccc1 41205748 167077091 /nfs/dbraw/zinc/07/70/91/167077091.db2.gz BYINTLLHOJBYGU-GFCCVEGCSA-N 1 0 191.318 3.180 10 0 AGAERO CCC[C@H](CC)[NH2+][C@H](C)C1(C)CC1 50401353 167077129 /nfs/dbraw/zinc/07/71/29/167077129.db2.gz RQYHGEMUWIXUFC-MNOVXSKESA-N 1 0 183.339 3.343 10 0 AGAERO CCC[C@H]([NH3+])CCC1CCCC1 42375096 167078104 /nfs/dbraw/zinc/07/81/04/167078104.db2.gz QAKCQNIQQJFRRL-NSHDSACASA-N 1 0 169.312 3.084 10 0 AGAERO CCC[C@H]([NH3+])CC[C@H](C)CCC 51321866 167078407 /nfs/dbraw/zinc/07/84/07/167078407.db2.gz XFCMSKAZEZTJGB-MNOVXSKESA-N 1 0 171.328 3.330 10 0 AGAERO CCC[C@H](C[NH3+])c1ccc(Cl)cc1 41209269 167079005 /nfs/dbraw/zinc/07/90/05/167079005.db2.gz 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DDCWKGZWKGGQBX-NSHDSACASA-N 1 0 191.318 3.133 10 0 AGAERO C[NH2+]Cc1cc(C(C)(C)C)ccc1C 57488433 168017184 /nfs/dbraw/zinc/01/71/84/168017184.db2.gz RJZSWYPZRTVLPY-UHFFFAOYSA-N 1 0 191.318 3.012 10 0 AGAERO C[NH2+]Cc1ccc(C(C)(C)C)cc1C 82530535 168018782 /nfs/dbraw/zinc/01/87/82/168018782.db2.gz QPSVVAGACYPNBB-UHFFFAOYSA-N 1 0 191.318 3.012 10 0 AGAERO C[NH2+][C@@H](C(C)C)C1CCC(C)CC1 44983792 168030184 /nfs/dbraw/zinc/03/01/84/168030184.db2.gz YWOWPMISBKBBRU-MCIGGMRASA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+][C@@H](C)CC(C)(C)c1cccs1 11631403 168031148 /nfs/dbraw/zinc/03/11/48/168031148.db2.gz XSFHBIOYSULJAA-VIFPVBQESA-N 1 0 197.347 3.024 10 0 AGAERO C[NH2+][C@@H](C)[C@H](C)CCC(C)(C)C 49255651 168032303 /nfs/dbraw/zinc/03/23/03/168032303.db2.gz RFHYGFGZJOKBSH-ZJUUUORDSA-N 1 0 171.328 3.057 10 0 AGAERO C[NH2+][C@@H](C1=CCCC1)c1cccs1 50327226 168033976 /nfs/dbraw/zinc/03/39/76/168033976.db2.gz BVTVYBPCEQQLJP-NSHDSACASA-N 1 0 193.315 3.119 10 0 AGAERO C[NH2+][C@@H](C)c1cc2ccccc2s1 22863849 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3.201 10 0 AGAERO C[NH2+][C@@H](C1=CCCCC1)c1ccoc1 50325981 168035211 /nfs/dbraw/zinc/03/52/11/168035211.db2.gz KRIDGGCJYXKZKJ-LBPRGKRZSA-N 1 0 191.274 3.041 10 0 AGAERO C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 20264087 168035296 /nfs/dbraw/zinc/03/52/96/168035296.db2.gz RRNGXNXWZZFZMK-JTQLQIEISA-N 1 0 191.318 3.265 10 0 AGAERO C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 19394853 168035680 /nfs/dbraw/zinc/03/56/80/168035680.db2.gz QWHDNGVLVNWEAA-JTQLQIEISA-N 1 0 177.291 3.090 10 0 AGAERO C[NH2+][C@@H](C1CCC(C)CC1)C(C)(C)C 52232330 168035692 /nfs/dbraw/zinc/03/56/92/168035692.db2.gz MRUDGJXFRGSMBD-MCIGGMRASA-N 1 0 197.366 3.447 10 0 AGAERO C[NH2+][C@@H](CCC(C)C)C1CCCC1 43374515 168035955 /nfs/dbraw/zinc/03/59/55/168035955.db2.gz HGSCEGRGLTXHHX-LBPRGKRZSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@@H](CCC(C)C)c1ccc(C)o1 43610486 168035967 /nfs/dbraw/zinc/03/59/67/168035967.db2.gz WPTGSIZORUMLNZ-NSHDSACASA-N 1 0 195.306 3.285 10 0 AGAERO C[NH2+][C@@H](CC(C)(C)C)c1ccc(C)o1 43610379 168035983 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193.334 3.265 10 0 AGAERO CC(C)[NH2+]CC[C@H]1CCCC1(C)C 527914146 325653608 /nfs/dbraw/zinc/65/36/08/325653608.db2.gz ANNITMXDGSHKRB-LLVKDONJSA-N 1 0 183.339 3.201 10 0 AGAERO CC1CC([NH2+]CC[C@H]2CC=CCC2)C1 527980979 325654515 /nfs/dbraw/zinc/65/45/15/325654515.db2.gz QIHXOPVVZVEGRK-CPCZMJQVSA-N 1 0 193.334 3.121 10 0 AGAERO CC1CC([NH2+]CC[C@@H]2CC=CCC2)C1 527980980 325654545 /nfs/dbraw/zinc/65/45/45/325654545.db2.gz QIHXOPVVZVEGRK-OTTFEQOBSA-N 1 0 193.334 3.121 10 0 AGAERO CC(C)[C@H](C)[NH2+]CC[C@H]1CC=CCC1 527986571 325654561 /nfs/dbraw/zinc/65/45/61/325654561.db2.gz PNQGCUCNNVZRHH-STQMWFEESA-N 1 0 195.350 3.367 10 0 AGAERO CC(C)C1([NH2+]CC2CC(C)(C)C2)CC1 528513410 325659029 /nfs/dbraw/zinc/65/90/29/325659029.db2.gz TTXYSMLEGAGYKB-UHFFFAOYSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(C)C[NH3+] 536954189 325669995 /nfs/dbraw/zinc/66/99/95/325669995.db2.gz NWAAVAOERMTNLI-WOPDTQHZSA-N 1 0 183.339 3.044 10 0 AGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@]1(C)C[NH3+] 536954179 325670046 /nfs/dbraw/zinc/67/00/46/325670046.db2.gz NWAAVAOERMTNLI-GRYCIOLGSA-N 1 0 183.339 3.044 10 0 AGAERO Cc1[nH]c2c(C)c(C)c(C)c(C)c2[nH+]1 138543 342927871 /nfs/dbraw/zinc/92/78/71/342927871.db2.gz IISNIICZFRRUGO-UHFFFAOYSA-N 1 0 188.274 3.105 10 0 AGAERO CC(C)C[C@@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C 1682166 342957978 /nfs/dbraw/zinc/95/79/78/342957978.db2.gz DWCNXVRUWLTLFA-GRYCIOLGSA-N 1 0 183.339 3.294 10 0 AGAERO C[C@H]1C[NH2+][C@@H](c2ccc(Cl)cc2)C1 3704324 342983654 /nfs/dbraw/zinc/98/36/54/342983654.db2.gz FSOXCWDOKWTCTB-LDYMZIIASA-N 1 0 195.693 3.011 10 0 AGAERO C[C@H]1C[NH2+][C@@H](c2ccccc2Cl)C1 3704328 342983668 /nfs/dbraw/zinc/98/36/68/342983668.db2.gz LMMQLWQYSSDBRR-LDYMZIIASA-N 1 0 195.693 3.011 10 0 AGAERO C[C@H]1C[NH2+][C@H](c2cccc(Cl)c2)C1 3704306 342983720 /nfs/dbraw/zinc/98/37/20/342983720.db2.gz PLXAFTADMZMLLN-KCJUWKMLSA-N 1 0 195.693 3.011 10 0 AGAERO C[C@H]1C[NH2+][C@H](c2ccccc2Cl)C1 3704326 342983738 /nfs/dbraw/zinc/98/37/38/342983738.db2.gz LMMQLWQYSSDBRR-KCJUWKMLSA-N 1 0 195.693 3.011 10 0 AGAERO CC[C@H]1CC[NH2+][C@H]1c1cccc(C)c1 3733172 342984031 /nfs/dbraw/zinc/98/40/31/342984031.db2.gz SIUXIYWXXUGXFK-WCQYABFASA-N 1 0 189.302 3.056 10 0 AGAERO CC[C@@H]1CC[NH2+][C@@H]1c1ccc(C)cc1 3733203 342984050 /nfs/dbraw/zinc/98/40/50/342984050.db2.gz QAWKBIWVXUCZLW-YPMHNXCESA-N 1 0 189.302 3.056 10 0 AGAERO CC[C@@H]1CC[NH2+][C@@H]1c1cccc(C)c1 3733175 342984059 /nfs/dbraw/zinc/98/40/59/342984059.db2.gz SIUXIYWXXUGXFK-YPMHNXCESA-N 1 0 189.302 3.056 10 0 AGAERO CC[C@@H]1CC[NH2+][C@H]1c1cccc(C)c1 3733173 342984068 /nfs/dbraw/zinc/98/40/68/342984068.db2.gz SIUXIYWXXUGXFK-DGCLKSJQSA-N 1 0 189.302 3.056 10 0 AGAERO CC[C@H]1CC[NH2+][C@@H]1c1ccc(C)cc1 3733202 342984138 /nfs/dbraw/zinc/98/41/38/342984138.db2.gz QAWKBIWVXUCZLW-AAEUAGOBSA-N 1 0 189.302 3.056 10 0 AGAERO Cc1cc(C)c([C@H]2CCC[NH2+]2)c(C)c1 3732331 342984140 /nfs/dbraw/zinc/98/41/40/342984140.db2.gz HSOKRIPAFJFIRN-GFCCVEGCSA-N 1 0 189.302 3.036 10 0 AGAERO CC[C@H]1CC[NH2+][C@H]1c1ccc(C)cc1 3733200 342984157 /nfs/dbraw/zinc/98/41/57/342984157.db2.gz QAWKBIWVXUCZLW-WCQYABFASA-N 1 0 189.302 3.056 10 0 AGAERO CC[C@H]1CC[NH2+][C@@H]1c1cccc(C)c1 3733174 342984187 /nfs/dbraw/zinc/98/41/87/342984187.db2.gz SIUXIYWXXUGXFK-AAEUAGOBSA-N 1 0 189.302 3.056 10 0 AGAERO CC[C@@H]1CC[NH2+][C@H]1c1ccc(C)cc1 3733201 342984189 /nfs/dbraw/zinc/98/41/89/342984189.db2.gz QAWKBIWVXUCZLW-DGCLKSJQSA-N 1 0 189.302 3.056 10 0 AGAERO Cc1cc(C)c([C@@H]2CCC[NH2+]2)c(C)c1 3732332 342984199 /nfs/dbraw/zinc/98/41/99/342984199.db2.gz HSOKRIPAFJFIRN-LBPRGKRZSA-N 1 0 189.302 3.036 10 0 AGAERO Cc1cc(C)c([C@@H]([NH3+])C2CC2)c(C)c1 3739149 342984425 /nfs/dbraw/zinc/98/44/25/342984425.db2.gz YKTMJSRMZIIPQX-ZDUSSCGKSA-N 1 0 189.302 3.022 10 0 AGAERO CC(C)c1ccc([C@@H]([NH3+])C2CC2)cc1 3739147 342984451 /nfs/dbraw/zinc/98/44/51/342984451.db2.gz FOBYBKLQJDTVFA-CYBMUJFWSA-N 1 0 189.302 3.220 10 0 AGAERO CC1(C)CC(=CC[NH3+])CC(C)(C)C1 3816250 342984805 /nfs/dbraw/zinc/98/48/05/342984805.db2.gz MMVPWDLVVBAUFE-UHFFFAOYSA-N 1 0 181.323 3.108 10 0 AGAERO CC(C)=CCC[C@@H](C)CC[NH+](C)C 5064257 342998718 /nfs/dbraw/zinc/99/87/18/342998718.db2.gz GNBZURGQKQIDSP-GFCCVEGCSA-N 1 0 183.339 3.321 10 0 AGAERO Cc1cc2[nH]c3ccccc3c2c(C)[nH+]1 6070237 343012338 /nfs/dbraw/zinc/01/23/38/343012338.db2.gz LSMFRNHNKRLJLH-UHFFFAOYSA-N 1 0 196.253 3.333 10 0 AGAERO Cc1ccc(Cl)cc1[N+]#N 6071262 343012397 /nfs/dbraw/zinc/01/23/97/343012397.db2.gz RRSHLAWSHRGHTL-UHFFFAOYSA-N 1 0 153.592 3.133 10 0 AGAERO CC(C)=CCC[C@H](C)CC[NH+](C)C 6487094 343014560 /nfs/dbraw/zinc/01/45/60/343014560.db2.gz GNBZURGQKQIDSP-LBPRGKRZSA-N 1 0 183.339 3.321 10 0 AGAERO CC[NH+](CC)[C@H](C)c1ccccc1 6891388 343016836 /nfs/dbraw/zinc/01/68/36/343016836.db2.gz QEFIMESGOXVXFU-LLVKDONJSA-N 1 0 177.291 3.089 10 0 AGAERO CCC(C)(C)[NH2+][C@@H]1CCC[C@@H](C)C1 7260733 343017105 /nfs/dbraw/zinc/01/71/05/343017105.db2.gz IPYJUEVMZUOSGB-GHMZBOCLSA-N 1 0 183.339 3.343 10 0 AGAERO CCC(C)(C)[NH2+][C@H]1CCC[C@H](C)C1 7260749 343017422 /nfs/dbraw/zinc/01/74/22/343017422.db2.gz IPYJUEVMZUOSGB-QWRGUYRKSA-N 1 0 183.339 3.343 10 0 AGAERO Cc1ccc([C@@H]([NH3+])C2CCCC2)cc1 9245913 343020998 /nfs/dbraw/zinc/02/09/98/343020998.db2.gz URZWNJHZKXZRGH-ZDUSSCGKSA-N 1 0 189.302 3.185 10 0 AGAERO Cc1ccc([C@H]([NH3+])C2CCCC2)cc1 9245912 343021237 /nfs/dbraw/zinc/02/12/37/343021237.db2.gz URZWNJHZKXZRGH-CYBMUJFWSA-N 1 0 189.302 3.185 10 0 AGAERO CC1=[NH+]C[C@@H](C)c2c1[nH]c1ccccc21 13123191 343032982 /nfs/dbraw/zinc/03/29/82/343032982.db2.gz YYCFDQPFRZCFDU-MRVPVSSYSA-N 1 0 198.269 3.094 10 0 AGAERO CC1=[NH+]C[C@H](C)c2c1[nH]c1ccccc21 13123192 343033057 /nfs/dbraw/zinc/03/30/57/343033057.db2.gz YYCFDQPFRZCFDU-QMMMGPOBSA-N 1 0 198.269 3.094 10 0 AGAERO Cc1ccc([C@@H]([NH3+])CC(C)(C)C)cc1 19804219 343060688 /nfs/dbraw/zinc/06/06/88/343060688.db2.gz MPPVQVRYIKLHFJ-LBPRGKRZSA-N 1 0 191.318 3.431 10 0 AGAERO CCCC[NH2+][C@H](C)CCC(C)C 19907139 343064222 /nfs/dbraw/zinc/06/42/22/343064222.db2.gz DUJAJWGEIWXITO-LLVKDONJSA-N 1 0 171.328 3.201 10 0 AGAERO CCc1ccc([C@@H]([NH3+])C2CCC2)cc1 19968527 343065412 /nfs/dbraw/zinc/06/54/12/343065412.db2.gz GYRUARMEPBPWJW-ZDUSSCGKSA-N 1 0 189.302 3.049 10 0 AGAERO Cc1ccc([C@H]([NH3+])C2CCCC2)s1 19969768 343065725 /nfs/dbraw/zinc/06/57/25/343065725.db2.gz YDULHGFLFJYGTE-LLVKDONJSA-N 1 0 195.331 3.247 10 0 AGAERO CC[C@H]([NH2+]C)c1cccc(Cl)c1 22171788 343080224 /nfs/dbraw/zinc/08/02/24/343080224.db2.gz MPJFGLACIUZBET-JTQLQIEISA-N 1 0 183.682 3.011 10 0 AGAERO CC(C)[C@@H]([NH3+])c1ccc(Cl)s1 26516381 343089562 /nfs/dbraw/zinc/08/95/62/343089562.db2.gz MIGFPVLXSIAOIM-MRVPVSSYSA-N 1 0 189.711 3.057 10 0 AGAERO CC[C@@H]([NH3+])c1csc2ccccc12 26516452 343089731 /nfs/dbraw/zinc/08/97/31/343089731.db2.gz LYYABDCJMOXXPI-SNVBAGLBSA-N 1 0 191.299 3.311 10 0 AGAERO C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 28100181 343091677 /nfs/dbraw/zinc/09/16/77/343091677.db2.gz PGKLSPPYVCCNSH-NSHDSACASA-N 1 0 195.693 3.107 10 0 AGAERO C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 28100176 343091729 /nfs/dbraw/zinc/09/17/29/343091729.db2.gz PGKLSPPYVCCNSH-LLVKDONJSA-N 1 0 195.693 3.107 10 0 AGAERO C[C@H]([NH3+])CC1CCCCCCC1 28224684 343091840 /nfs/dbraw/zinc/09/18/40/343091840.db2.gz LGIMXTCWSDSTPO-JTQLQIEISA-N 1 0 169.312 3.084 10 0 AGAERO Cc1cc([C@H]([NH3+])CC(C)C)ccc1F 32009290 343096765 /nfs/dbraw/zinc/09/67/65/343096765.db2.gz ACMXBEQQBITZJD-GFCCVEGCSA-N 1 0 195.281 3.180 10 0 AGAERO Cc1cc([C@@H]([NH3+])CC(C)C)ccc1F 32009292 343096875 /nfs/dbraw/zinc/09/68/75/343096875.db2.gz ACMXBEQQBITZJD-LBPRGKRZSA-N 1 0 195.281 3.180 10 0 AGAERO Cc1ccc([C@@H]([NH3+])CC(C)C)cc1C 32008494 343096918 /nfs/dbraw/zinc/09/69/18/343096918.db2.gz AUXBNOIRSFUDKJ-ZDUSSCGKSA-N 1 0 191.318 3.349 10 0 AGAERO CC(C)[C@H](C[NH3+])c1cccc(Cl)c1 32009600 343097116 /nfs/dbraw/zinc/09/71/16/343097116.db2.gz IKLHDQUTPGWTLK-NSHDSACASA-N 1 0 197.709 3.038 10 0 AGAERO c1ccc(C2=[NH+]CCCCC2)cc1 32252717 343102045 /nfs/dbraw/zinc/10/20/45/343102045.db2.gz PGRRLZTVOUMEAO-UHFFFAOYSA-N 1 0 173.259 3.050 10 0 AGAERO C/C=C\CC1(C/C=C\C)CCC[NH2+]1 33747823 343106190 /nfs/dbraw/zinc/10/61/90/343106190.db2.gz KFYPKCHGNHRNAJ-GLIMQPGKSA-N 1 0 179.307 3.041 10 0 AGAERO Cc1c(Cl)cccc1[N+]#N 33986075 343108510 /nfs/dbraw/zinc/10/85/10/343108510.db2.gz PLSOLWUNONZSPJ-UHFFFAOYSA-N 1 0 153.592 3.133 10 0 AGAERO C1CCCC([NH+]2CCCCC2)CC1 34128727 343111315 /nfs/dbraw/zinc/11/13/15/343111315.db2.gz CQYDAXCOBVHFHJ-UHFFFAOYSA-N 1 0 181.323 3.195 10 0 AGAERO CC1(C)CC(CC[NH3+])CC(C)(C)C1 34179870 343112914 /nfs/dbraw/zinc/11/29/14/343112914.db2.gz OIHULWBOFIEYPQ-UHFFFAOYSA-N 1 0 183.339 3.188 10 0 AGAERO Cc1cc(C)c(C(C)C)c(C)[nH+]1 34283222 343115654 /nfs/dbraw/zinc/11/56/54/343115654.db2.gz UCDWSQMCKGTORZ-UHFFFAOYSA-N 1 0 163.264 3.130 10 0 AGAERO CCCCC[C@H]([NH3+])CCCC 34617793 343123494 /nfs/dbraw/zinc/12/34/94/343123494.db2.gz VBWDHAJTJKQSAV-SNVBAGLBSA-N 1 0 157.301 3.084 10 0 AGAERO CCCCC[C@@H]([NH3+])CCCC 34617795 343123501 /nfs/dbraw/zinc/12/35/01/343123501.db2.gz VBWDHAJTJKQSAV-JTQLQIEISA-N 1 0 157.301 3.084 10 0 AGAERO CCC[NH2+][C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 34924574 343125656 /nfs/dbraw/zinc/12/56/56/343125656.db2.gz SWTZARARTWNVBV-WZRBSPASSA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])c1cc(C)sc1C 34940767 343126301 /nfs/dbraw/zinc/12/63/01/343126301.db2.gz WFBBMACHIVVYQB-CPCISQLKSA-N 1 0 197.347 3.411 10 0 AGAERO Cc1cc([C@H]([NH3+])[C@@H]2C[C@@H]2C)c(C)s1 34940810 343126358 /nfs/dbraw/zinc/12/63/58/343126358.db2.gz IJLYOAJOGCFGKD-PTHKFVFGSA-N 1 0 195.331 3.021 10 0 AGAERO Cc1cc([C@H]([NH3+])[C@H]2C[C@@H]2C)c(C)s1 34940812 343126397 /nfs/dbraw/zinc/12/63/97/343126397.db2.gz IJLYOAJOGCFGKD-DQBIJJQNSA-N 1 0 195.331 3.021 10 0 AGAERO CC[C@H](C)[C@@H]([NH3+])c1cc(C)sc1C 34940769 343126402 /nfs/dbraw/zinc/12/64/02/343126402.db2.gz WFBBMACHIVVYQB-WRWORJQWSA-N 1 0 197.347 3.411 10 0 AGAERO Cc1cc([C@@H]([NH3+])CC(C)C)c(C)s1 34940779 343126475 /nfs/dbraw/zinc/12/64/75/343126475.db2.gz XRDKMEWLCMUFFD-NSHDSACASA-N 1 0 197.347 3.411 10 0 AGAERO Cc1cc([C@H]([NH3+])CC(C)C)c(C)s1 34940778 343126509 /nfs/dbraw/zinc/12/65/09/343126509.db2.gz XRDKMEWLCMUFFD-LLVKDONJSA-N 1 0 197.347 3.411 10 0 AGAERO Cc1ccc([C@H]([NH3+])C(C)(C)C)cc1C 34972101 343126737 /nfs/dbraw/zinc/12/67/37/343126737.db2.gz FEFDOVBEDOJGKK-LBPRGKRZSA-N 1 0 191.318 3.349 10 0 AGAERO CCCC[C@@H]([NH2+]C)c1ccccc1 35464908 343132494 /nfs/dbraw/zinc/13/24/94/343132494.db2.gz PVOUZBXBJLSFDE-GFCCVEGCSA-N 1 0 177.291 3.137 10 0 AGAERO CC(C)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 35439066 343132562 /nfs/dbraw/zinc/13/25/62/343132562.db2.gz CVSPPCVCFBKWLC-YNEHKIRRSA-N 1 0 197.366 3.445 10 0 AGAERO C[NH2+][C@H](c1cccs1)C(C)(C)C 35487906 343132777 /nfs/dbraw/zinc/13/27/77/343132777.db2.gz NEFBZABESGVZRP-SECBINFHSA-N 1 0 183.320 3.055 10 0 AGAERO CC(C)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C 35439070 343132909 /nfs/dbraw/zinc/13/29/09/343132909.db2.gz CVSPPCVCFBKWLC-RWMBFGLXSA-N 1 0 197.366 3.445 10 0 AGAERO CC[C@H]([NH2+]C)c1ccc(Cl)s1 35498027 343132971 /nfs/dbraw/zinc/13/29/71/343132971.db2.gz HPUNJYMVVZNGIK-LURJTMIESA-N 1 0 189.711 3.072 10 0 AGAERO CC[C@@H]([NH2+]C)c1ccc(Cl)s1 35498029 343133139 /nfs/dbraw/zinc/13/31/39/343133139.db2.gz HPUNJYMVVZNGIK-ZCFIWIBFSA-N 1 0 189.711 3.072 10 0 AGAERO Cc1cc(C)cc(C2([NH3+])CCCC2)c1 35660853 343136238 /nfs/dbraw/zinc/13/62/38/343136238.db2.gz WFBCTEUYFDWREP-UHFFFAOYSA-N 1 0 189.302 3.031 10 0 AGAERO Cc1ccc([C@@H]2CCCC[C@H]2[NH3+])s1 35874474 343140034 /nfs/dbraw/zinc/14/00/34/343140034.db2.gz JRUWHVCYEULYGR-NXEZZACHSA-N 1 0 195.331 3.041 10 0 AGAERO C/C=C/CC(C)(C)C[NH2+]CCCC 36404531 343144972 /nfs/dbraw/zinc/14/49/72/343144972.db2.gz ZHKXJUZLBVJOKH-FNORWQNLSA-N 1 0 183.339 3.369 10 0 AGAERO CC1(C)C=C[NH+]=C1c1ccccc1 36438054 343145656 /nfs/dbraw/zinc/14/56/56/343145656.db2.gz ZVTHGRSNXPNZKZ-UHFFFAOYSA-N 1 0 171.243 3.029 10 0 AGAERO CC[C@@H]([NH3+])CCc1ccccc1Cl 36683982 343148123 /nfs/dbraw/zinc/14/81/23/343148123.db2.gz 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CC[C@H]1CCCC[C@@H]1N1CCCC1=[NH2+] 42580874 343247937 /nfs/dbraw/zinc/24/79/37/343247937.db2.gz QETAKBLVJGZMSG-QWRGUYRKSA-N 1 0 194.322 3.028 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])c1sccc1C 42729003 343249037 /nfs/dbraw/zinc/24/90/37/343249037.db2.gz LDTBDSUDLDZWTF-CBAPKCEASA-N 1 0 183.320 3.102 10 0 AGAERO Cc1ccc([C@H]([NH3+])CC2CCCC2)o1 43609708 343256512 /nfs/dbraw/zinc/25/65/12/343256512.db2.gz FGUAFZFDNHRUEP-LLVKDONJSA-N 1 0 193.290 3.168 10 0 AGAERO Cc1ccc([C@@H]([NH3+])CC2CCCC2)o1 43609711 343256543 /nfs/dbraw/zinc/25/65/43/343256543.db2.gz FGUAFZFDNHRUEP-NSHDSACASA-N 1 0 193.290 3.168 10 0 AGAERO Cc1cc([C@H]([NH3+])CC(C)(C)C)c(C)o1 43611367 343256866 /nfs/dbraw/zinc/25/68/66/343256866.db2.gz YIGHNAQCFRCVRI-LLVKDONJSA-N 1 0 195.306 3.332 10 0 AGAERO Cc1cc([C@H]([NH3+])C2CCCC2)c(C)o1 43611238 343256878 /nfs/dbraw/zinc/25/68/78/343256878.db2.gz CWWJTRFQPKQGPY-GFCCVEGCSA-N 1 0 193.290 3.086 10 0 AGAERO CCCC[C@H]1Cc2ccccc2[C@H]1[NH3+] 43647792 343258065 /nfs/dbraw/zinc/25/80/65/343258065.db2.gz OZFSOBCBOKMABX-AAEUAGOBSA-N 1 0 189.302 3.049 10 0 AGAERO CC[C@H]1CCCc2ccccc2[C@@H]1[NH3+] 43649641 343258071 /nfs/dbraw/zinc/25/80/71/343258071.db2.gz QUFZHFJSIHHUGY-GXFFZTMASA-N 1 0 189.302 3.049 10 0 AGAERO CCCC[C@@H]1Cc2ccccc2[C@H]1[NH3+] 43647790 343258095 /nfs/dbraw/zinc/25/80/95/343258095.db2.gz OZFSOBCBOKMABX-YPMHNXCESA-N 1 0 189.302 3.049 10 0 AGAERO CC[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] 43649638 343258141 /nfs/dbraw/zinc/25/81/41/343258141.db2.gz QUFZHFJSIHHUGY-ZWNOBZJWSA-N 1 0 189.302 3.049 10 0 AGAERO CCCC[C@@H]1Cc2ccccc2[C@@H]1[NH3+] 43647786 343258146 /nfs/dbraw/zinc/25/81/46/343258146.db2.gz OZFSOBCBOKMABX-DGCLKSJQSA-N 1 0 189.302 3.049 10 0 AGAERO CCCC[C@H]1Cc2ccccc2[C@@H]1[NH3+] 43647788 343258175 /nfs/dbraw/zinc/25/81/75/343258175.db2.gz OZFSOBCBOKMABX-WCQYABFASA-N 1 0 189.302 3.049 10 0 AGAERO CC[C@@H]1CCCc2ccccc2[C@H]1[NH3+] 43649643 343258181 /nfs/dbraw/zinc/25/81/81/343258181.db2.gz QUFZHFJSIHHUGY-MFKMUULPSA-N 1 0 189.302 3.049 10 0 AGAERO CC[C@H]1CCCc2ccccc2[C@H]1[NH3+] 43649646 343258199 /nfs/dbraw/zinc/25/81/99/343258199.db2.gz QUFZHFJSIHHUGY-GWCFXTLKSA-N 1 0 189.302 3.049 10 0 AGAERO Cc1ccsc1[C@@H]([NH3+])C(C)(C)C 44415616 343265545 /nfs/dbraw/zinc/26/55/45/343265545.db2.gz KIRUBJVMNOFYGM-SECBINFHSA-N 1 0 183.320 3.102 10 0 AGAERO CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] 44469369 343265904 /nfs/dbraw/zinc/26/59/04/343265904.db2.gz QPKCBOSRKUQSOD-VWYCJHECSA-N 1 0 183.339 3.186 10 0 AGAERO C[NH2+][C@H](C1=CCCCC1)C1CCCC1 50326117 343281294 /nfs/dbraw/zinc/28/12/94/343281294.db2.gz INDRQPQATQSTEJ-CYBMUJFWSA-N 1 0 193.334 3.265 10 0 AGAERO Cc1ccc([C@@H]([NH3+])C2=CCCC2)cc1 50326990 343281298 /nfs/dbraw/zinc/28/12/98/343281298.db2.gz ZPUHCYJEJQKXSM-ZDUSSCGKSA-N 1 0 187.286 3.105 10 0 AGAERO CC(C)(C)C[C@H]([NH3+])C1=CCCCC1 50325869 343281306 /nfs/dbraw/zinc/28/13/06/343281306.db2.gz RKNSDMWEKNUELW-NSHDSACASA-N 1 0 181.323 3.250 10 0 AGAERO [NH3+][C@H](C1=CCCCC1)C1CCCC1 50325650 343281314 /nfs/dbraw/zinc/28/13/14/343281314.db2.gz OTTLGGGLYRAMDJ-GFCCVEGCSA-N 1 0 179.307 3.004 10 0 AGAERO [NH3+][C@H](C1=CCCC1)C1CCCCC1 50327151 343281340 /nfs/dbraw/zinc/28/13/40/343281340.db2.gz RBCCSLHBVNXBHN-LBPRGKRZSA-N 1 0 179.307 3.004 10 0 AGAERO Cc1ccoc1[C@H]([NH3+])C1=CCCCC1 50325487 343281346 /nfs/dbraw/zinc/28/13/46/343281346.db2.gz CRIVCLAIIJCFQQ-LLVKDONJSA-N 1 0 191.274 3.088 10 0 AGAERO Cc1cc([C@H]([NH3+])C2=CCCC2)c(C)o1 50326901 343281376 /nfs/dbraw/zinc/28/13/76/343281376.db2.gz GOSDOKHEMXKPFO-GFCCVEGCSA-N 1 0 191.274 3.007 10 0 AGAERO CC(C)(C)C[C@@H]([NH3+])C1=CCCCC1 50325870 343281384 /nfs/dbraw/zinc/28/13/84/343281384.db2.gz RKNSDMWEKNUELW-LLVKDONJSA-N 1 0 181.323 3.250 10 0 AGAERO C[NH2+][C@@H](C1=CCCCC1)C1CCCC1 50326119 343281387 /nfs/dbraw/zinc/28/13/87/343281387.db2.gz INDRQPQATQSTEJ-ZDUSSCGKSA-N 1 0 193.334 3.265 10 0 AGAERO Cc1ccccc1[C@@H]([NH3+])C1=CCCC1 50327010 343281398 /nfs/dbraw/zinc/28/13/98/343281398.db2.gz FOKZBCMKXYSRFO-ZDUSSCGKSA-N 1 0 187.286 3.105 10 0 AGAERO Cc1ccccc1[C@H]([NH3+])C1=CCCC1 50327009 343281447 /nfs/dbraw/zinc/28/14/47/343281447.db2.gz FOKZBCMKXYSRFO-CYBMUJFWSA-N 1 0 187.286 3.105 10 0 AGAERO [NH3+][C@@H](CC1CCCC1)C1=CCCC1 50327011 343281463 /nfs/dbraw/zinc/28/14/63/343281463.db2.gz KSCPKGKEYOUUMI-LBPRGKRZSA-N 1 0 179.307 3.004 10 0 AGAERO C[NH2+][C@@H](C1=CCCCC1)C(C)(C)C 50326128 343281466 /nfs/dbraw/zinc/28/14/66/343281466.db2.gz BWFVATBSEREBIT-NSHDSACASA-N 1 0 181.323 3.121 10 0 AGAERO Cc1cc([C@@H]([NH3+])C2=CCCC2)c(C)o1 50326902 343281467 /nfs/dbraw/zinc/28/14/67/343281467.db2.gz GOSDOKHEMXKPFO-LBPRGKRZSA-N 1 0 191.274 3.007 10 0 AGAERO [NH3+][C@H](C1=CCCCC1)c1ccccc1 50325745 343281474 /nfs/dbraw/zinc/28/14/74/343281474.db2.gz LQOMVETXVQEJSK-ZDUSSCGKSA-N 1 0 187.286 3.187 10 0 AGAERO Cc1ccc([C@H]([NH3+])C2=CCCC2)cc1 50326989 343281477 /nfs/dbraw/zinc/28/14/77/343281477.db2.gz ZPUHCYJEJQKXSM-CYBMUJFWSA-N 1 0 187.286 3.105 10 0 AGAERO [NH3+][C@@H](C1=CCCCC1)C1CCCC1 50325648 343281492 /nfs/dbraw/zinc/28/14/92/343281492.db2.gz OTTLGGGLYRAMDJ-LBPRGKRZSA-N 1 0 179.307 3.004 10 0 AGAERO C[NH2+][C@H](C1=CCCCC1)C(C)(C)C 50326127 343281500 /nfs/dbraw/zinc/28/15/00/343281500.db2.gz BWFVATBSEREBIT-LLVKDONJSA-N 1 0 181.323 3.121 10 0 AGAERO [NH3+][C@@H](C1=CCCCC1)c1ccccc1 50325746 343281507 /nfs/dbraw/zinc/28/15/07/343281507.db2.gz LQOMVETXVQEJSK-CYBMUJFWSA-N 1 0 187.286 3.187 10 0 AGAERO Cc1ccsc1[C@H]([NH3+])C1=CCCC1 50326909 343281509 /nfs/dbraw/zinc/28/15/09/343281509.db2.gz ILAGBTRWBPUSAE-SNVBAGLBSA-N 1 0 193.315 3.167 10 0 AGAERO [NH3+][C@H](CC1CCCC1)C1=CCCC1 50327012 343281514 /nfs/dbraw/zinc/28/15/14/343281514.db2.gz KSCPKGKEYOUUMI-GFCCVEGCSA-N 1 0 179.307 3.004 10 0 AGAERO Cc1ccoc1[C@@H]([NH3+])C1=CCCCC1 50325489 343281524 /nfs/dbraw/zinc/28/15/24/343281524.db2.gz CRIVCLAIIJCFQQ-NSHDSACASA-N 1 0 191.274 3.088 10 0 AGAERO [NH3+][C@@H](C1=CCCC1)C1CCCCC1 50327152 343281528 /nfs/dbraw/zinc/28/15/28/343281528.db2.gz RBCCSLHBVNXBHN-GFCCVEGCSA-N 1 0 179.307 3.004 10 0 AGAERO Cc1ccc([C@@H]([NH3+])C2=CCCC2)s1 50326908 343281531 /nfs/dbraw/zinc/28/15/31/343281531.db2.gz GALAXJWOGDVQAK-NSHDSACASA-N 1 0 193.315 3.167 10 0 AGAERO Cc1ccsc1[C@@H]([NH3+])C1=CCCC1 50326910 343281542 /nfs/dbraw/zinc/28/15/42/343281542.db2.gz ILAGBTRWBPUSAE-JTQLQIEISA-N 1 0 193.315 3.167 10 0 AGAERO C[NH2+][C@@H](C1=CCCC1)c1ccccc1 50327409 343281662 /nfs/dbraw/zinc/28/16/62/343281662.db2.gz ISTOWRGEUGLFAQ-CYBMUJFWSA-N 1 0 187.286 3.057 10 0 AGAERO CC(C)(C)[C@@H]([NH3+])C1=CCCCCC1 50328167 343281778 /nfs/dbraw/zinc/28/17/78/343281778.db2.gz RRIXFYNRCOXCDK-NSHDSACASA-N 1 0 181.323 3.250 10 0 AGAERO C[NH2+][C@H](C1=CCCC1)c1ccccc1 50327408 343281781 /nfs/dbraw/zinc/28/17/81/343281781.db2.gz ISTOWRGEUGLFAQ-ZDUSSCGKSA-N 1 0 187.286 3.057 10 0 AGAERO [NH3+][C@@H](C1=CCCCCC1)C1CCC1 50328158 343281802 /nfs/dbraw/zinc/28/18/02/343281802.db2.gz QJAOHNYEZQNFCG-LBPRGKRZSA-N 1 0 179.307 3.004 10 0 AGAERO [NH3+][C@H](C1=CCCCCC1)C1CCC1 50328159 343281815 /nfs/dbraw/zinc/28/18/15/343281815.db2.gz QJAOHNYEZQNFCG-GFCCVEGCSA-N 1 0 179.307 3.004 10 0 AGAERO C[NH2+][C@@H](C1=CCCC1)C1CCCCC1 50327483 343281843 /nfs/dbraw/zinc/28/18/43/343281843.db2.gz KTFKXJPERYBZTK-CYBMUJFWSA-N 1 0 193.334 3.265 10 0 AGAERO CCc1ccc([C@@H]([NH3+])CCC(C)C)o1 51726721 343292073 /nfs/dbraw/zinc/29/20/73/343292073.db2.gz MLRGNTJWDULJIJ-NSHDSACASA-N 1 0 195.306 3.278 10 0 AGAERO CCCCC[C@H]([NH3+])c1ccc(CC)o1 51726746 343292089 /nfs/dbraw/zinc/29/20/89/343292089.db2.gz GWXYYQJYSUVCAX-NSHDSACASA-N 1 0 195.306 3.422 10 0 AGAERO CCCCC[C@@H]([NH3+])c1ccc(CC)o1 51726748 343292132 /nfs/dbraw/zinc/29/21/32/343292132.db2.gz GWXYYQJYSUVCAX-LLVKDONJSA-N 1 0 195.306 3.422 10 0 AGAERO CCCC[C@H]([NH3+])c1ccc(CC)o1 51726569 343292191 /nfs/dbraw/zinc/29/21/91/343292191.db2.gz BQLYPXZHUDGQIC-JTQLQIEISA-N 1 0 181.279 3.032 10 0 AGAERO CCc1ccc([C@H]([NH3+])C2CCCC2)o1 51726660 343292224 /nfs/dbraw/zinc/29/22/24/343292224.db2.gz UPMSEULMPKRCTD-GFCCVEGCSA-N 1 0 193.290 3.032 10 0 AGAERO CCc1ccc([C@H]([NH3+])CCC(C)C)o1 51726719 343292241 /nfs/dbraw/zinc/29/22/41/343292241.db2.gz MLRGNTJWDULJIJ-LLVKDONJSA-N 1 0 195.306 3.278 10 0 AGAERO CCCC[C@@H]([NH3+])c1ccc(CC)o1 51726570 343292279 /nfs/dbraw/zinc/29/22/79/343292279.db2.gz BQLYPXZHUDGQIC-SNVBAGLBSA-N 1 0 181.279 3.032 10 0 AGAERO CC(C)c1ccc2oc(C[NH3+])cc2c1 52068933 343299460 /nfs/dbraw/zinc/29/94/60/343299460.db2.gz FZLOEKRYXGTUGZ-UHFFFAOYSA-N 1 0 189.258 3.015 10 0 AGAERO Cc1ccc(F)cc1[C@@H]([NH3+])CC(C)C 52138900 343301324 /nfs/dbraw/zinc/30/13/24/343301324.db2.gz AUMBLMAONOKTOJ-LBPRGKRZSA-N 1 0 195.281 3.180 10 0 AGAERO C[NH2+][C@@H](c1cc(F)ccc1C)C(C)C 52139204 343301487 /nfs/dbraw/zinc/30/14/87/343301487.db2.gz LXTXLMLARFHBNX-GFCCVEGCSA-N 1 0 195.281 3.051 10 0 AGAERO C[NH2+][C@H](c1cc(F)ccc1C)C(C)C 52139207 343301522 /nfs/dbraw/zinc/30/15/22/343301522.db2.gz LXTXLMLARFHBNX-LBPRGKRZSA-N 1 0 195.281 3.051 10 0 AGAERO Cc1ccc(F)cc1[C@H]([NH3+])CC(C)C 52138897 343301543 /nfs/dbraw/zinc/30/15/43/343301543.db2.gz AUMBLMAONOKTOJ-GFCCVEGCSA-N 1 0 195.281 3.180 10 0 AGAERO C[C@H]1C[C@H]([NH2+]C2CCC2)CC(C)(C)C1 52206695 343301762 /nfs/dbraw/zinc/30/17/62/343301762.db2.gz XLIBSJYFWJHGOV-JQWIXIFHSA-N 1 0 195.350 3.343 10 0 AGAERO Cc1cc(C[NH2+]C2CCC2)c(C)s1 52208971 343302059 /nfs/dbraw/zinc/30/20/59/343302059.db2.gz ORFLLFRFHWXXCP-UHFFFAOYSA-N 1 0 195.331 3.007 10 0 AGAERO C[C@@H]1C[C@@H]([NH2+]C2CCC2)CC(C)(C)C1 52206698 343302205 /nfs/dbraw/zinc/30/22/05/343302205.db2.gz XLIBSJYFWJHGOV-ZYHUDNBSSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@H]1C[C@@H]([NH2+]C2CCC2)CC(C)(C)C1 52206700 343302429 /nfs/dbraw/zinc/30/24/29/343302429.db2.gz XLIBSJYFWJHGOV-CMPLNLGQSA-N 1 0 195.350 3.343 10 0 AGAERO CC1CCC([C@@H]([NH3+])C(C)(C)C)CC1 52232327 343302618 /nfs/dbraw/zinc/30/26/18/343302618.db2.gz ZFPFHWVTMAIDLZ-VQXHTEKXSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@@H]1CCC[C@@H]([C@H]([NH3+])C(C)(C)C)C1 52232299 343302651 /nfs/dbraw/zinc/30/26/51/343302651.db2.gz AUIRUYAIKSHULB-MXWKQRLJSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@@H]1CCC[C@H]([C@H]([NH3+])C(C)(C)C)C1 52232295 343302692 /nfs/dbraw/zinc/30/26/92/343302692.db2.gz AUIRUYAIKSHULB-VWYCJHECSA-N 1 0 183.339 3.186 10 0 AGAERO Cc1cc([C@H]([NH3+])C(C)(C)C)ccc1F 52232118 343302711 /nfs/dbraw/zinc/30/27/11/343302711.db2.gz WEZGYLIOTQHHHA-NSHDSACASA-N 1 0 195.281 3.180 10 0 AGAERO Cc1cc([C@@H]([NH3+])C(C)(C)C)ccc1F 52232121 343302736 /nfs/dbraw/zinc/30/27/36/343302736.db2.gz WEZGYLIOTQHHHA-LLVKDONJSA-N 1 0 195.281 3.180 10 0 AGAERO C[C@H]1C[C@H]1[NH2+]C1CCCCCCC1 52269695 343302923 /nfs/dbraw/zinc/30/29/23/343302923.db2.gz VSGCFAMMNBVWHM-CMPLNLGQSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C)CC(C)(C)C1 52269041 343302995 /nfs/dbraw/zinc/30/29/95/343302995.db2.gz AZHGEMIDUSARSI-NOOOWODRSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@H]1C[C@@H]1[NH2+]C1CCCCCCC1 52269689 343303096 /nfs/dbraw/zinc/30/30/96/343303096.db2.gz VSGCFAMMNBVWHM-JQWIXIFHSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@H]1C[C@@H]1Nc1cc[nH+]c2ccccc12 52290690 343304483 /nfs/dbraw/zinc/30/44/83/343304483.db2.gz NBXOYBVSXOZKRZ-ZANVPECISA-N 1 0 198.269 3.055 10 0 AGAERO C[C@H]1C[C@H]1Nc1cc[nH+]c2ccccc12 52290696 343304656 /nfs/dbraw/zinc/30/46/56/343304656.db2.gz NBXOYBVSXOZKRZ-TVQRCGJNSA-N 1 0 198.269 3.055 10 0 AGAERO C[C@@H](C1CCCCC1)N1CCCC1=[NH2+] 52340663 343306163 /nfs/dbraw/zinc/30/61/63/343306163.db2.gz ANDWEYQVBPBUCA-JTQLQIEISA-N 1 0 194.322 3.028 10 0 AGAERO C[NH2+][C@H](c1ccccc1F)C(C)(C)C 52898094 343311464 /nfs/dbraw/zinc/31/14/64/343311464.db2.gz LKYNVUIKTBBQEG-LLVKDONJSA-N 1 0 195.281 3.132 10 0 AGAERO C[NH2+][C@@H](c1ccccc1F)C(C)(C)C 52898096 343311624 /nfs/dbraw/zinc/31/16/24/343311624.db2.gz LKYNVUIKTBBQEG-NSHDSACASA-N 1 0 195.281 3.132 10 0 AGAERO CC[C@]([NH3+])(c1ccccc1F)C(C)C 52897591 343311635 /nfs/dbraw/zinc/31/16/35/343311635.db2.gz IJCQOGRXUJVBIL-GFCCVEGCSA-N 1 0 195.281 3.046 10 0 AGAERO CC[C@@]([NH3+])(c1ccccc1F)C(C)C 52897589 343311653 /nfs/dbraw/zinc/31/16/53/343311653.db2.gz IJCQOGRXUJVBIL-LBPRGKRZSA-N 1 0 195.281 3.046 10 0 AGAERO CCC([NH3+])(CC)c1ccc(C)c(C)c1 53303644 343313971 /nfs/dbraw/zinc/31/39/71/343313971.db2.gz FMPUKVGYLAGGCG-UHFFFAOYSA-N 1 0 191.318 3.277 10 0 AGAERO C1CC[NH2+][C@@H](CC2CCCC2)CC1 53297962 343313999 /nfs/dbraw/zinc/31/39/99/343313999.db2.gz PJKDQZRZPCZTJS-GFCCVEGCSA-N 1 0 181.323 3.099 10 0 AGAERO CC(C)[NH2+]CC/C=C/c1ccccc1 53302292 343314003 /nfs/dbraw/zinc/31/40/03/343314003.db2.gz PHQYPLKSOUDDCV-UXBLZVDNSA-N 1 0 189.302 3.088 10 0 AGAERO Cc1ccc(C)c(C2([NH3+])CCCC2)c1 53303081 343314192 /nfs/dbraw/zinc/31/41/92/343314192.db2.gz UBJMNNULTSNUMR-UHFFFAOYSA-N 1 0 189.302 3.031 10 0 AGAERO Cc1cccc(C2([NH3+])CCCC2)c1C 53328480 343314376 /nfs/dbraw/zinc/31/43/76/343314376.db2.gz IZWSCFVRXSNIFX-UHFFFAOYSA-N 1 0 189.302 3.031 10 0 AGAERO Cc1cccc([C@](C)([NH3+])C(C)C)c1C 53328666 343314462 /nfs/dbraw/zinc/31/44/62/343314462.db2.gz BSQQQGUPNGKSHO-CYBMUJFWSA-N 1 0 191.318 3.133 10 0 AGAERO Cc1cccc([C@@](C)([NH3+])C(C)C)c1C 53328671 343314509 /nfs/dbraw/zinc/31/45/09/343314509.db2.gz BSQQQGUPNGKSHO-ZDUSSCGKSA-N 1 0 191.318 3.133 10 0 AGAERO [NH3+]C1(CC2CCCCC2)CCCC1 53752900 343316160 /nfs/dbraw/zinc/31/61/60/343316160.db2.gz GLTVHRHPSHYWJK-UHFFFAOYSA-N 1 0 181.323 3.228 10 0 AGAERO CC[C@H](C)CC1([NH3+])CCCCC1 53753058 343316192 /nfs/dbraw/zinc/31/61/92/343316192.db2.gz QUKZQHKELNFPDU-JTQLQIEISA-N 1 0 169.312 3.084 10 0 AGAERO [NH3+]C1(CC2CCCC2)CCCCC1 53753066 343316200 /nfs/dbraw/zinc/31/62/00/343316200.db2.gz LYNPGCSWRNBLPT-UHFFFAOYSA-N 1 0 181.323 3.228 10 0 AGAERO CC[C@H](C)CC1([NH3+])CCC(C)CC1 53752569 343316273 /nfs/dbraw/zinc/31/62/73/343316273.db2.gz JTLLXUFRZRKCTQ-UNXYVOJBSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H](C)CC1([NH3+])CCC(C)CC1 53752567 343316293 /nfs/dbraw/zinc/31/62/93/343316293.db2.gz JTLLXUFRZRKCTQ-VOMCLLRMSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H](C)CC1([NH3+])CCCCC1 53753055 343316298 /nfs/dbraw/zinc/31/62/98/343316298.db2.gz QUKZQHKELNFPDU-SNVBAGLBSA-N 1 0 169.312 3.084 10 0 AGAERO CC[C@@](C)([NH3+])CC1CCCCC1 53758119 343316331 /nfs/dbraw/zinc/31/63/31/343316331.db2.gz 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/nfs/dbraw/zinc/32/68/99/343326899.db2.gz CQUYLSYESPEYBC-NSHDSACASA-N 1 0 193.334 3.099 10 0 AGAERO CCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] 54630491 343326988 /nfs/dbraw/zinc/32/69/88/343326988.db2.gz FERCRYCPAVLESH-UTUOFQBUSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)(C)[NH2+]C[C@H]1CC12CCCCC2 54597144 343327041 /nfs/dbraw/zinc/32/70/41/343327041.db2.gz LOUZRPMKHUSNNI-LLVKDONJSA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)(C)[NH2+]C[C@@H]1CC12CCCCC2 54597143 343327097 /nfs/dbraw/zinc/32/70/97/343327097.db2.gz LOUZRPMKHUSNNI-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] 54630494 343327117 /nfs/dbraw/zinc/32/71/17/343327117.db2.gz FERCRYCPAVLESH-TUAOUCFPSA-N 1 0 183.339 3.186 10 0 AGAERO C[NH2+]CC1CCC(C(C)(C)C)CC1 54667893 343327366 /nfs/dbraw/zinc/32/73/66/343327366.db2.gz AXLURWDLPUHEPH-UHFFFAOYSA-N 1 0 183.339 3.058 10 0 AGAERO CCC([NH3+])(CC)c1cc(C)ccc1F 55197055 343334824 /nfs/dbraw/zinc/33/48/24/343334824.db2.gz PWNQZKDICDPWAZ-UHFFFAOYSA-N 1 0 195.281 3.108 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C[C@H]1CCCC[C@@]1([NH3+])c1ccsc1 60121792 343351087 /nfs/dbraw/zinc/35/10/87/343351087.db2.gz ZIMUHGPNZJUDGW-ONGXEEELSA-N 1 0 195.331 3.112 10 0 AGAERO C[C@H]1CCCC[C@]1([NH3+])c1ccsc1 60121788 343351115 /nfs/dbraw/zinc/35/11/15/343351115.db2.gz ZIMUHGPNZJUDGW-GXSJLCMTSA-N 1 0 195.331 3.112 10 0 AGAERO [NH3+][C@@H]1CCCCC[C@@H]1C1CCCC1 60714501 343354101 /nfs/dbraw/zinc/35/41/01/343354101.db2.gz MVLNAWNKDOMRDC-VXGBXAGGSA-N 1 0 181.323 3.084 10 0 AGAERO [NH3+][C@H]1CCCCC[C@H]1C1CCCC1 60714513 343354105 /nfs/dbraw/zinc/35/41/05/343354105.db2.gz MVLNAWNKDOMRDC-RYUDHWBXSA-N 1 0 181.323 3.084 10 0 AGAERO [NH3+][C@H]1CCCCC[C@@H]1C1CCCC1 60714509 343354185 /nfs/dbraw/zinc/35/41/85/343354185.db2.gz MVLNAWNKDOMRDC-NEPJUHHUSA-N 1 0 181.323 3.084 10 0 AGAERO [NH3+][C@@H]1CCCCC[C@H]1C1CCCC1 60714505 343354338 /nfs/dbraw/zinc/35/43/38/343354338.db2.gz MVLNAWNKDOMRDC-NWDGAFQWSA-N 1 0 181.323 3.084 10 0 AGAERO CC[NH2+][C@H]1CCCCC[C@@H]1C(C)C 60717010 343354400 /nfs/dbraw/zinc/35/44/00/343354400.db2.gz MIYZKSRTXFFZBJ-NEPJUHHUSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H]1CCCC[C@@H]1C1CCCC1 60715410 343354428 /nfs/dbraw/zinc/35/44/28/343354428.db2.gz ZHOHAKCVGXAYNR-OLZOCXBDSA-N 1 0 195.350 3.345 10 0 AGAERO C[NH2+][C@H]1CCCCC[C@H]1C(C)(C)C 60716894 343354589 /nfs/dbraw/zinc/35/45/89/343354589.db2.gz PWNHRVVMDYWCLS-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@@H]1CCCC[C@@H]1C1CCCC1 60715408 343354673 /nfs/dbraw/zinc/35/46/73/343354673.db2.gz ZHOHAKCVGXAYNR-CHWSQXEVSA-N 1 0 195.350 3.345 10 0 AGAERO CC[NH2+][C@@H]1CCCCC[C@@H]1C(C)C 60717007 343354687 /nfs/dbraw/zinc/35/46/87/343354687.db2.gz MIYZKSRTXFFZBJ-VXGBXAGGSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@@H]1CCCC[C@H]1C1CCCC1 60715413 343354692 /nfs/dbraw/zinc/35/46/92/343354692.db2.gz ZHOHAKCVGXAYNR-QWHCGFSZSA-N 1 0 195.350 3.345 10 0 AGAERO CC[NH2+][C@H]1CCCCC[C@H]1C(C)C 60717014 343354753 /nfs/dbraw/zinc/35/47/53/343354753.db2.gz MIYZKSRTXFFZBJ-RYUDHWBXSA-N 1 0 183.339 3.201 10 0 AGAERO CC[NH2+][C@H]1CCCC[C@H]1C1CCCC1 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189.258 3.103 10 0 AGAERO CC[C@H]([NH2+]C)c1cc2ccccc2o1 62797683 343380045 /nfs/dbraw/zinc/38/00/45/343380045.db2.gz AURSXCSUMJQUAH-JTQLQIEISA-N 1 0 189.258 3.103 10 0 AGAERO CC(C)C1CCC2(CC[NH2+]CC2)CC1 62951092 343388307 /nfs/dbraw/zinc/38/83/07/343388307.db2.gz KTYOCCYLLCFSPC-UHFFFAOYSA-N 1 0 195.350 3.202 10 0 AGAERO C1CCCC2(CCC1)CC[NH2+]CC2 62951034 343388329 /nfs/dbraw/zinc/38/83/29/343388329.db2.gz XBDCJSCFGRHIDV-UHFFFAOYSA-N 1 0 181.323 3.101 10 0 AGAERO CC(=[NH2+])Nc1cccc2ccccc12 62986926 343389705 /nfs/dbraw/zinc/38/97/05/343389705.db2.gz LDLNUGIJKNEEDP-UHFFFAOYSA-N 1 0 184.242 3.249 10 0 AGAERO CC(=[NH2+])Nc1ccc(C(C)C)cc1 62987006 343389752 /nfs/dbraw/zinc/38/97/52/343389752.db2.gz ZKEIQONWPQYHEF-UHFFFAOYSA-N 1 0 176.263 3.219 10 0 AGAERO CC(=[NH2+])Nc1ccc(C)c(Cl)c1 62986925 343389857 /nfs/dbraw/zinc/38/98/57/343389857.db2.gz SREVGLVHHRDJMM-UHFFFAOYSA-N 1 0 182.654 3.057 10 0 AGAERO CC(=[NH2+])Nc1cc(Cl)ccc1C 62987063 343389890 /nfs/dbraw/zinc/38/98/90/343389890.db2.gz 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WTCWICGPGKLYJH-QWHCGFSZSA-N 1 0 189.302 3.062 10 0 AGAERO CC[NH2+][C@H]1CCC[C@@H](C(C)(C)C)C1 70745128 343528417 /nfs/dbraw/zinc/52/84/17/343528417.db2.gz JKEXEYUTWDOBNQ-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO CCCC[C@@H]1CCCC[C@H]([NH3+])C1 70742373 343528433 /nfs/dbraw/zinc/52/84/33/343528433.db2.gz RVOFOMGAMYVOOS-MNOVXSKESA-N 1 0 169.312 3.084 10 0 AGAERO CCCC[C@@H]1CCCC[C@@H]([NH3+])C1 70742375 343528439 /nfs/dbraw/zinc/52/84/39/343528439.db2.gz RVOFOMGAMYVOOS-GHMZBOCLSA-N 1 0 169.312 3.084 10 0 AGAERO [NH3+][C@@H]1CCCC[C@@H](c2ccccc2)C1 70742049 343528501 /nfs/dbraw/zinc/52/85/01/343528501.db2.gz WTCWICGPGKLYJH-CHWSQXEVSA-N 1 0 189.302 3.062 10 0 AGAERO [NH3+][C@H]1CCCC[C@H](C2CCCC2)C1 70742482 343528504 /nfs/dbraw/zinc/52/85/04/343528504.db2.gz JEWWOOKFZAFULM-RYUDHWBXSA-N 1 0 181.323 3.084 10 0 AGAERO CC[NH2+][C@H]1CCC[C@H](C(C)(C)C)C1 70745126 343528516 /nfs/dbraw/zinc/52/85/16/343528516.db2.gz JKEXEYUTWDOBNQ-QWRGUYRKSA-N 1 0 183.339 3.201 10 0 AGAERO 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PNIQICNYALEOQF-QWRGUYRKSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@@H]1CCCC[C@@H](C(C)(C)C)C1 70745747 343528790 /nfs/dbraw/zinc/52/87/90/343528790.db2.gz PNIQICNYALEOQF-GHMZBOCLSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@@H]1CCCC[C@H](C(C)(C)C)C1 70745748 343528847 /nfs/dbraw/zinc/52/88/47/343528847.db2.gz PNIQICNYALEOQF-WDEREUQCSA-N 1 0 183.339 3.201 10 0 AGAERO C[NH2+][C@H]1CCCC[C@@H](C(C)(C)C)C1 70745745 343528898 /nfs/dbraw/zinc/52/88/98/343528898.db2.gz PNIQICNYALEOQF-MNOVXSKESA-N 1 0 183.339 3.201 10 0 AGAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 70748427 343528916 /nfs/dbraw/zinc/52/89/16/343528916.db2.gz JPBIJSNSFGUDIL-ZDEQEGDKSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@@H]1CC[C@@]2(C[C@@H]2C[NH2+]C(C)(C)C)C1 70767123 343529976 /nfs/dbraw/zinc/52/99/76/343529976.db2.gz VHGCRGCFGQBAEA-WZRBSPASSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H]1CC[C@]2(C[C@@H]2C[NH2+]C(C)(C)C)C1 70767115 343529996 /nfs/dbraw/zinc/52/99/96/343529996.db2.gz VHGCRGCFGQBAEA-NQBHXWOUSA-N 1 0 195.350 3.201 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181.323 3.084 10 0 AGAERO C[C@@H]1CC[C@@]([NH3+])(CC2CCCC2)C1 70767801 343530389 /nfs/dbraw/zinc/53/03/89/343530389.db2.gz KTMBZNMJKNRZAE-PWSUYJOCSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@H]1CC[C@@]([NH3+])(CC2CCCCC2)C1 70768137 343530391 /nfs/dbraw/zinc/53/03/91/343530391.db2.gz GDUXOFQXQATSCH-AAEUAGOBSA-N 1 0 195.350 3.474 10 0 AGAERO C[C@H]1CC[C@@]([NH3+])(C2CCCCC2)C1 70768056 343530395 /nfs/dbraw/zinc/53/03/95/343530395.db2.gz SPJXBXWLQLVDTD-JQWIXIFHSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@@H]1CC[C@]([NH3+])(c2cccs2)C1 70769034 343530408 /nfs/dbraw/zinc/53/04/08/343530408.db2.gz VGGKILPOARCOSI-MWLCHTKSSA-N 1 0 195.331 3.112 10 0 AGAERO C[C@H]1CC[C@]([NH3+])(CC2CCCCC2)C1 70768131 343530437 /nfs/dbraw/zinc/53/04/37/343530437.db2.gz GDUXOFQXQATSCH-WCQYABFASA-N 1 0 195.350 3.474 10 0 AGAERO C[C@@H]1CC[C@]([NH3+])(CC2CCCCC2)C1 70768127 343530447 /nfs/dbraw/zinc/53/04/47/343530447.db2.gz GDUXOFQXQATSCH-DGCLKSJQSA-N 1 0 195.350 3.474 10 0 AGAERO C[C@@H]1CC[C@@]([NH3+])(CC2CCCCC2)C1 70768134 343530459 /nfs/dbraw/zinc/53/04/59/343530459.db2.gz GDUXOFQXQATSCH-YPMHNXCESA-N 1 0 195.350 3.474 10 0 AGAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C 70826009 343533805 /nfs/dbraw/zinc/53/38/05/343533805.db2.gz FROHJNSTPMAIBU-ZDEQEGDKSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1C 70826013 343534063 /nfs/dbraw/zinc/53/40/63/343534063.db2.gz FROHJNSTPMAIBU-YVECIDJPSA-N 1 0 195.350 3.343 10 0 AGAERO Cc1ccc2ccccc2c1[C@H](C)[NH3+] 71445835 343552882 /nfs/dbraw/zinc/55/28/82/343552882.db2.gz AVNFBMNPTHAKAF-JTQLQIEISA-N 1 0 185.270 3.168 10 0 AGAERO Cc1ccc([C@H]([NH3+])C2(C)CC2)c(C)c1 71500507 343555069 /nfs/dbraw/zinc/55/50/69/343555069.db2.gz DOIBSBREWJUACQ-LBPRGKRZSA-N 1 0 189.302 3.103 10 0 AGAERO CCc1ccc([C@@H]([NH3+])C2(C)CC2)cc1 71500492 343555216 /nfs/dbraw/zinc/55/52/16/343555216.db2.gz BQWKEGOSGVSQOW-GFCCVEGCSA-N 1 0 189.302 3.049 10 0 AGAERO Cc1ccc([C@H]([NH3+])C2(C)CC2)cc1C 71500494 343555263 /nfs/dbraw/zinc/55/52/63/343555263.db2.gz CDBDCLQVFXJSNO-LBPRGKRZSA-N 1 0 189.302 3.103 10 0 AGAERO Cc1ccc(C)c([C@H]([NH3+])C2(C)CC2)c1 71500501 343555268 /nfs/dbraw/zinc/55/52/68/343555268.db2.gz DBFRKBBZQKGURT-LBPRGKRZSA-N 1 0 189.302 3.103 10 0 AGAERO CC1([C@H]([NH3+])c2ccc(Cl)cc2)CC1 71507260 343555670 /nfs/dbraw/zinc/55/56/70/343555670.db2.gz VZOGFHWEZWMNSQ-SNVBAGLBSA-N 1 0 195.693 3.140 10 0 AGAERO Cc1cc(Cl)cc([C@H]2CCC[NH2+]2)c1 72201710 343561002 /nfs/dbraw/zinc/56/10/02/343561002.db2.gz IDAJZDBDHXOBRC-LLVKDONJSA-N 1 0 195.693 3.073 10 0 AGAERO Cc1cccc(Cl)c1[C@@H]1CCC[NH2+]1 72201711 343561036 /nfs/dbraw/zinc/56/10/36/343561036.db2.gz OCQJPMZBMNYCCF-JTQLQIEISA-N 1 0 195.693 3.073 10 0 AGAERO Cc1cc(Cl)ccc1[C@H]1CCC[NH2+]1 72201703 343561193 /nfs/dbraw/zinc/56/11/93/343561193.db2.gz VHDHTKFFDOUAEZ-LLVKDONJSA-N 1 0 195.693 3.073 10 0 AGAERO Cc1ccc(Cl)cc1[C@@H]1CCC[NH2+]1 72201705 343561210 /nfs/dbraw/zinc/56/12/10/343561210.db2.gz ARPWBKOKIIWUJK-NSHDSACASA-N 1 0 195.693 3.073 10 0 AGAERO Cc1cc([C@H]2CCC[NH2+]2)ccc1Cl 72201704 343561375 /nfs/dbraw/zinc/56/13/75/343561375.db2.gz UBQOYOWWVWPKJE-LLVKDONJSA-N 1 0 195.693 3.073 10 0 AGAERO Cc1cccc(Cl)c1[C@H]1CCC[NH2+]1 72201712 343561448 /nfs/dbraw/zinc/56/14/48/343561448.db2.gz OCQJPMZBMNYCCF-SNVBAGLBSA-N 1 0 195.693 3.073 10 0 AGAERO Cc1c(Cl)cccc1[C@@H]1CCC[NH2+]1 72201707 343561520 /nfs/dbraw/zinc/56/15/20/343561520.db2.gz OZZZQKCPKQISMW-NSHDSACASA-N 1 0 195.693 3.073 10 0 AGAERO Cc1c(Cl)cccc1[C@H]1CCC[NH2+]1 72201708 343561611 /nfs/dbraw/zinc/56/16/11/343561611.db2.gz OZZZQKCPKQISMW-LLVKDONJSA-N 1 0 195.693 3.073 10 0 AGAERO C[C@H]1CC[NH2+][C@@H](c2ccccc2)CC1 77293116 343581361 /nfs/dbraw/zinc/58/13/61/343581361.db2.gz WTIMXWQOYGARNM-DGCLKSJQSA-N 1 0 189.302 3.137 10 0 in-vitro AGAERO CC(C)[C@@H](C)C[NH2+]Cc1cccs1 78476295 343583299 /nfs/dbraw/zinc/58/32/99/343583299.db2.gz OYRNYBCSFBODAG-JTQLQIEISA-N 1 0 197.347 3.130 10 0 AGAERO CC(C)[C@H](C)C[NH2+]Cc1cccs1 78476298 343583354 /nfs/dbraw/zinc/58/33/54/343583354.db2.gz OYRNYBCSFBODAG-SNVBAGLBSA-N 1 0 197.347 3.130 10 0 AGAERO CC(C)[C@H](C)C[NH2+]Cc1ccsc1 81047210 343592345 /nfs/dbraw/zinc/59/23/45/343592345.db2.gz XRAGTVQJPGOWSG-SNVBAGLBSA-N 1 0 197.347 3.130 10 0 AGAERO CC(C)[C@@H](C)C[NH2+]Cc1ccsc1 81047208 343592602 /nfs/dbraw/zinc/59/26/02/343592602.db2.gz XRAGTVQJPGOWSG-JTQLQIEISA-N 1 0 197.347 3.130 10 0 AGAERO CC(C)(C)C[NH2+]CC1(C)CCCC1 82619045 343607814 /nfs/dbraw/zinc/60/78/14/343607814.db2.gz VKBSIJWZPMVJDY-UHFFFAOYSA-N 1 0 183.339 3.202 10 0 AGAERO CC(C)[C@H](C)[NH2+]C1C[C@@H](C)C[C@@H](C)C1 82829646 343612874 /nfs/dbraw/zinc/61/28/74/343612874.db2.gz ZCUQVWDSXFIVFL-FXJUQPSGSA-N 1 0 197.366 3.445 10 0 AGAERO CCCC[NH2+][C@H]1CC[C@H](C)[C@H](C)C1 82835833 343612974 /nfs/dbraw/zinc/61/29/74/343612974.db2.gz SYGMCHBBGMQMJP-TUAOUCFPSA-N 1 0 183.339 3.201 10 0 AGAERO CCCC[NH2+]C1C[C@@H](C)C[C@@H](C)C1 82829379 343613011 /nfs/dbraw/zinc/61/30/11/343613011.db2.gz OXZCTURCBKJXNG-FOSCPWQOSA-N 1 0 183.339 3.201 10 0 AGAERO CCCC[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 82835838 343613083 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343840756 /nfs/dbraw/zinc/84/07/56/343840756.db2.gz IOFYLSZWFBNBCG-UHFFFAOYSA-N 1 0 179.307 3.021 10 0 AGAERO [NH3+][C@H]1CCC(=C2CCCCCC2)C1 128933300 343840810 /nfs/dbraw/zinc/84/08/10/343840810.db2.gz FEDNHTBXGJSZLC-LBPRGKRZSA-N 1 0 179.307 3.148 10 0 AGAERO CCC(C=C1CCC([NH3+])CC1)CC 128931250 343840924 /nfs/dbraw/zinc/84/09/24/343840924.db2.gz VVYHQMDLAXZXGW-UHFFFAOYSA-N 1 0 181.323 3.250 10 0 AGAERO CC(C)(CC[NH3+])C1CCCCCC1 128962039 343841493 /nfs/dbraw/zinc/84/14/93/343841493.db2.gz IXHKCXUBOSJRIC-UHFFFAOYSA-N 1 0 183.339 3.332 10 0 AGAERO CC1([C@@H]([NH3+])c2ccsc2)CCCC1 129191596 343845615 /nfs/dbraw/zinc/84/56/15/343845615.db2.gz OAOYEQJSFYHRFW-JTQLQIEISA-N 1 0 195.331 3.328 10 0 AGAERO CC1CCC([C@@H]([NH3+])[C@@H](C)C2CC2)CC1 129174178 343845658 /nfs/dbraw/zinc/84/56/58/343845658.db2.gz MYYKUXPCEXEZJO-MZYPSXCRSA-N 1 0 195.350 3.186 10 0 AGAERO CC1([C@H]([NH3+])c2ccsc2)CCCC1 129191386 343845822 /nfs/dbraw/zinc/84/58/22/343845822.db2.gz OAOYEQJSFYHRFW-SNVBAGLBSA-N 1 0 195.331 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/nfs/dbraw/zinc/85/08/09/343850809.db2.gz OLOBWJIELIAMEM-GFCCVEGCSA-N 1 0 183.339 3.330 10 0 AGAERO C[C@]1(C2CCCCCC2)CCC[NH2+]1 129533603 343852365 /nfs/dbraw/zinc/85/23/65/343852365.db2.gz YQAZCYZPPGAMQR-GFCCVEGCSA-N 1 0 181.323 3.099 10 0 AGAERO CC[C@]1(C2CCCCCC2)CCC[NH2+]1 129534032 343852395 /nfs/dbraw/zinc/85/23/95/343852395.db2.gz CFFBCYKDCJGUCP-CYBMUJFWSA-N 1 0 195.350 3.489 10 0 AGAERO CC[C@@]1(C2CCCCCC2)CCC[NH2+]1 129534260 343852619 /nfs/dbraw/zinc/85/26/19/343852619.db2.gz CFFBCYKDCJGUCP-ZDUSSCGKSA-N 1 0 195.350 3.489 10 0 AGAERO C[C@@]1(C2CCCCCC2)CCC[NH2+]1 129533839 343852661 /nfs/dbraw/zinc/85/26/61/343852661.db2.gz YQAZCYZPPGAMQR-LBPRGKRZSA-N 1 0 181.323 3.099 10 0 AGAERO C[NH2+][C@H](C1CCCCCC1)C1(C)CC1 129557826 343852904 /nfs/dbraw/zinc/85/29/04/343852904.db2.gz WUUKODYUGWTIOL-GFCCVEGCSA-N 1 0 195.350 3.345 10 0 AGAERO C[NH2+][C@@H](C1CCCCCC1)C1(C)CC1 129558091 343853200 /nfs/dbraw/zinc/85/32/00/343853200.db2.gz WUUKODYUGWTIOL-LBPRGKRZSA-N 1 0 195.350 3.345 10 0 AGAERO CC1([C@H]([NH3+])C2CCCCCC2)CC1 129557431 343853219 /nfs/dbraw/zinc/85/32/19/343853219.db2.gz XGPYKAOWJVHKFT-LLVKDONJSA-N 1 0 181.323 3.084 10 0 AGAERO [NH3+]CC1(C2CCCCCC2)CCC1 129799154 343856847 /nfs/dbraw/zinc/85/68/47/343856847.db2.gz RWCUKASWRBEDGR-UHFFFAOYSA-N 1 0 181.323 3.086 10 0 AGAERO C[NH2+]CC1(C2CCCCCC2)CCC1 129799419 343856864 /nfs/dbraw/zinc/85/68/64/343856864.db2.gz SCSMEZZEIGFYAH-UHFFFAOYSA-N 1 0 195.350 3.347 10 0 AGAERO CCc1ccc2c(c1)[C@@H]([NH3+])CC[C@H]2C 130972344 343878054 /nfs/dbraw/zinc/87/80/54/343878054.db2.gz JUAVMUKBAYIDMD-RNCFNFMXSA-N 1 0 189.302 3.146 10 0 AGAERO C[C@H]1CC[C@H]([NH3+])c2cc(Cl)ccc21 130969659 343878179 /nfs/dbraw/zinc/87/81/79/343878179.db2.gz DQHJYUJYPVCKDC-CPCISQLKSA-N 1 0 195.693 3.237 10 0 AGAERO CCc1ccc2c(c1)[C@H]([NH3+])CC[C@@H]2C 130972541 343878288 /nfs/dbraw/zinc/87/82/88/343878288.db2.gz JUAVMUKBAYIDMD-TVQRCGJNSA-N 1 0 189.302 3.146 10 0 AGAERO CC(C)=C[C@@H]([NH3+])CC1CCCCC1 131042609 343879279 /nfs/dbraw/zinc/87/92/79/343879279.db2.gz QQQDHDXUEYFLRG-GFCCVEGCSA-N 1 0 181.323 3.250 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1cc(C)ccc1F 131044116 343879336 /nfs/dbraw/zinc/87/93/36/343879336.db2.gz YQHSDRGRPYKSQY-GFCCVEGCSA-N 1 0 193.265 3.100 10 0 AGAERO CC(C)=C[C@H]([NH3+])CC1CCCCC1 131042381 343879359 /nfs/dbraw/zinc/87/93/59/343879359.db2.gz QQQDHDXUEYFLRG-LBPRGKRZSA-N 1 0 181.323 3.250 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1cc(C)ccc1F 131044304 343879548 /nfs/dbraw/zinc/87/95/48/343879548.db2.gz YQHSDRGRPYKSQY-LBPRGKRZSA-N 1 0 193.265 3.100 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1c(C)oc(C)c1C 131076939 343879731 /nfs/dbraw/zinc/87/97/31/343879731.db2.gz PRLUVWVBJQTUGP-NSHDSACASA-N 1 0 193.290 3.171 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1c(C)oc(C)c1C 131076727 343879948 /nfs/dbraw/zinc/87/99/48/343879948.db2.gz PRLUVWVBJQTUGP-LLVKDONJSA-N 1 0 193.290 3.171 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1ccc(C)cc1F 131110239 343880127 /nfs/dbraw/zinc/88/01/27/343880127.db2.gz RWLQZHRWKWKIFO-GFCCVEGCSA-N 1 0 193.265 3.100 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1ccc(C)cc1F 131110442 343880155 /nfs/dbraw/zinc/88/01/55/343880155.db2.gz RWLQZHRWKWKIFO-LBPRGKRZSA-N 1 0 193.265 3.100 10 0 AGAERO CCC1([C@@H]([NH3+])C=C(C)C)CCCC1 131140849 343880351 /nfs/dbraw/zinc/88/03/51/343880351.db2.gz VNKQFNVYBPQXEE-NSHDSACASA-N 1 0 181.323 3.250 10 0 AGAERO CCC1([C@H]([NH3+])C=C(C)C)CCCC1 131140622 343880533 /nfs/dbraw/zinc/88/05/33/343880533.db2.gz VNKQFNVYBPQXEE-LLVKDONJSA-N 1 0 181.323 3.250 10 0 AGAERO CCc1ccccc1[C@@H]([NH3+])C=C(C)C 131169382 343881187 /nfs/dbraw/zinc/88/11/87/343881187.db2.gz JHHMCMMWHKSBRN-ZDUSSCGKSA-N 1 0 189.302 3.215 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1cccc(C)c1C 131177036 343881330 /nfs/dbraw/zinc/88/13/30/343881330.db2.gz VSFCHFPEIUJZRT-ZDUSSCGKSA-N 1 0 189.302 3.269 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1cccc(C)c1C 131176849 343881342 /nfs/dbraw/zinc/88/13/42/343881342.db2.gz VSFCHFPEIUJZRT-CYBMUJFWSA-N 1 0 189.302 3.269 10 0 AGAERO CCc1ccccc1[C@H]([NH3+])C=C(C)C 131169175 343881456 /nfs/dbraw/zinc/88/14/56/343881456.db2.gz JHHMCMMWHKSBRN-CYBMUJFWSA-N 1 0 189.302 3.215 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1cc(C)c(C)s1 131170665 343881574 /nfs/dbraw/zinc/88/15/74/343881574.db2.gz DOXUFMSYMPLPJK-JTQLQIEISA-N 1 0 195.331 3.331 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1cc(C)c(C)s1 131170444 343881584 /nfs/dbraw/zinc/88/15/84/343881584.db2.gz DOXUFMSYMPLPJK-SNVBAGLBSA-N 1 0 195.331 3.331 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1ccc(C)s1 131199361 343882031 /nfs/dbraw/zinc/88/20/31/343882031.db2.gz XNVNYRJJYWWVGE-SECBINFHSA-N 1 0 181.304 3.023 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1ccc(C)s1 131199576 343882490 /nfs/dbraw/zinc/88/24/90/343882490.db2.gz XNVNYRJJYWWVGE-VIFPVBQESA-N 1 0 181.304 3.023 10 0 AGAERO N#[N+]c1cccc2c1CCCC2 132375083 343897319 /nfs/dbraw/zinc/89/73/19/343897319.db2.gz RHEGAEHECWDNOX-UHFFFAOYSA-N 1 0 159.212 3.050 10 0 AGAERO Cc1cccc(C(C)(C)[NH2+]C(C)C)c1 132387208 343897351 /nfs/dbraw/zinc/89/73/51/343897351.db2.gz LSDOTZJDEFKFMA-UHFFFAOYSA-N 1 0 191.318 3.228 10 0 AGAERO Cc1ccc([N+]#N)cc1Cl 132374794 343897388 /nfs/dbraw/zinc/89/73/88/343897388.db2.gz DHCRPFOKIIXFQS-UHFFFAOYSA-N 1 0 153.592 3.133 10 0 AGAERO CC(C)c1cccc([N+]#N)c1 132375343 343897410 /nfs/dbraw/zinc/89/74/10/343897410.db2.gz LPUFFZXPIHJMNE-UHFFFAOYSA-N 1 0 147.201 3.295 10 0 AGAERO Cc1ccc([N+]#N)cc1C(F)(F)F 132387104 343897428 /nfs/dbraw/zinc/89/74/28/343897428.db2.gz WXGIKGNVTCGXDK-UHFFFAOYSA-N 1 0 187.144 3.498 10 0 AGAERO CC[C@@H](C)Oc1cccc([N+]#N)c1 132387835 343897461 /nfs/dbraw/zinc/89/74/61/343897461.db2.gz DJYJSXMOLQWFKN-MRVPVSSYSA-N 1 0 177.227 3.348 10 0 AGAERO Cc1ccc2cccc([N+]#N)c2n1 132389365 343897756 /nfs/dbraw/zinc/89/77/56/343897756.db2.gz VZDYRNAAJVEYRS-UHFFFAOYSA-N 1 0 170.195 3.028 10 0 AGAERO CC[C@H](C)Oc1cccc([N+]#N)c1 132388047 343897789 /nfs/dbraw/zinc/89/77/89/343897789.db2.gz DJYJSXMOLQWFKN-QMMMGPOBSA-N 1 0 177.227 3.348 10 0 AGAERO Cc1cccc([N+]#N)c1Br 132395729 343897810 /nfs/dbraw/zinc/89/78/10/343897810.db2.gz XAXLZOFYZCHNSY-UHFFFAOYSA-N 1 0 198.043 3.242 10 0 AGAERO N#[N+]c1cc(C(F)(F)F)ccc1F 132389157 343897814 /nfs/dbraw/zinc/89/78/14/343897814.db2.gz DWMPXHZYGXGMSU-UHFFFAOYSA-N 1 0 191.107 3.329 10 0 AGAERO N#[N+]c1ccc2sccc2c1 132390688 343897866 /nfs/dbraw/zinc/89/78/66/343897866.db2.gz GRFJPTYGJRTKFN-UHFFFAOYSA-N 1 0 161.209 3.386 10 0 AGAERO Cc1ccc([N+]#N)cc1Br 132389797 343897941 /nfs/dbraw/zinc/89/79/41/343897941.db2.gz FKSNKGPGMKXIDH-UHFFFAOYSA-N 1 0 198.043 3.242 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC=CC1 132547308 343900089 /nfs/dbraw/zinc/90/00/89/343900089.db2.gz RCLRLCXGERAHDR-YPMHNXCESA-N 1 0 193.334 3.263 10 0 AGAERO CC[C@H]1CCCC[C@@H]1[NH2+]C1CC=CC1 132547517 343900104 /nfs/dbraw/zinc/90/01/04/343900104.db2.gz RCLRLCXGERAHDR-AAEUAGOBSA-N 1 0 193.334 3.263 10 0 AGAERO CC[C@H]1CCCC[C@H]1[NH2+]C1CC=CC1 132547869 343900208 /nfs/dbraw/zinc/90/02/08/343900208.db2.gz RCLRLCXGERAHDR-WCQYABFASA-N 1 0 193.334 3.263 10 0 AGAERO CC[C@@H]1CCCC[C@H]1[NH2+]C1CC=CC1 132547677 343900297 /nfs/dbraw/zinc/90/02/97/343900297.db2.gz RCLRLCXGERAHDR-DGCLKSJQSA-N 1 0 193.334 3.263 10 0 AGAERO [NH3+]Cc1cscc1C1CCCCC1 132774014 343903786 /nfs/dbraw/zinc/90/37/86/343903786.db2.gz ZRDZLBMLDCHLHT-UHFFFAOYSA-N 1 0 195.331 3.255 10 0 AGAERO [NH3+]Cc1csc(C2CCCCC2)c1 132779026 343903810 /nfs/dbraw/zinc/90/38/10/343903810.db2.gz VOQSZADDUNZKJT-UHFFFAOYSA-N 1 0 195.331 3.255 10 0 AGAERO CC[C@H]1CCCc2scc(C[NH3+])c21 132774705 343903820 /nfs/dbraw/zinc/90/38/20/343903820.db2.gz PBGXMRRXJBOEOZ-QMMMGPOBSA-N 1 0 195.331 3.037 10 0 AGAERO CC[C@@H]1CCCc2scc(C[NH3+])c21 132774527 343903830 /nfs/dbraw/zinc/90/38/30/343903830.db2.gz PBGXMRRXJBOEOZ-MRVPVSSYSA-N 1 0 195.331 3.037 10 0 AGAERO CC[C@@H](C)[C@H]([NH3+])c1cccc(C)c1F 132842087 343905729 /nfs/dbraw/zinc/90/57/29/343905729.db2.gz KFMIFDQIYRYVQN-PELKAZGASA-N 1 0 195.281 3.180 10 0 AGAERO CC[C@H](C)[C@@H]([NH3+])c1cccc(C)c1F 132842691 343905830 /nfs/dbraw/zinc/90/58/30/343905830.db2.gz KFMIFDQIYRYVQN-QPUJVOFHSA-N 1 0 195.281 3.180 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])c1cccc(C)c1F 132842283 343905832 /nfs/dbraw/zinc/90/58/32/343905832.db2.gz KFMIFDQIYRYVQN-UFBFGSQYSA-N 1 0 195.281 3.180 10 0 AGAERO CC[C@@H](C)[C@@H]([NH3+])c1cccc(C)c1F 132842480 343905866 /nfs/dbraw/zinc/90/58/66/343905866.db2.gz KFMIFDQIYRYVQN-PRHODGIISA-N 1 0 195.281 3.180 10 0 AGAERO C[C@H]([NH2+]Cc1cccs1)C(C)(C)C 132862262 343906267 /nfs/dbraw/zinc/90/62/67/343906267.db2.gz CLPRTTYFVFYXKY-VIFPVBQESA-N 1 0 197.347 3.272 10 0 AGAERO C[C@@H]([NH2+]Cc1cccs1)C(C)(C)C 132862495 343906272 /nfs/dbraw/zinc/90/62/72/343906272.db2.gz CLPRTTYFVFYXKY-SECBINFHSA-N 1 0 197.347 3.272 10 0 AGAERO C[C@H]([NH2+]CC1CCCC1)C(C)(C)C 132902169 343907172 /nfs/dbraw/zinc/90/71/72/343907172.db2.gz GLPGKVBIIPNDHY-JTQLQIEISA-N 1 0 183.339 3.201 10 0 AGAERO C[C@@H]([NH2+]CC1CCCC1)C(C)(C)C 132902366 343907388 /nfs/dbraw/zinc/90/73/88/343907388.db2.gz GLPGKVBIIPNDHY-SNVBAGLBSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)([NH2+]C1CCCC1)C1CCCC1 133545748 343921452 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GTJIYACEFVKSGO-LLVKDONJSA-N 1 0 195.306 3.194 10 0 AGAERO CC[C@@H]([NH2+]Cc1ccco1)C(C)(C)C 163917656 344233483 /nfs/dbraw/zinc/23/34/83/344233483.db2.gz CXERQBKKWXSKOD-LLVKDONJSA-N 1 0 195.306 3.194 10 0 AGAERO CC[C@H]([NH2+]Cc1ccco1)C(C)(C)C 163917536 344233507 /nfs/dbraw/zinc/23/35/07/344233507.db2.gz CXERQBKKWXSKOD-NSHDSACASA-N 1 0 195.306 3.194 10 0 AGAERO CCC(C)(CC)[NH2+]Cc1ccsc1 164095506 344236863 /nfs/dbraw/zinc/23/68/63/344236863.db2.gz GETGWQVMSFFOMA-UHFFFAOYSA-N 1 0 197.347 3.416 10 0 AGAERO CCC(C)(CC)[NH2+]Cc1cccs1 164091748 344236869 /nfs/dbraw/zinc/23/68/69/344236869.db2.gz NMNLARSBAXWXHD-UHFFFAOYSA-N 1 0 197.347 3.416 10 0 AGAERO CCC(C)(CC)[NH2+]Cc1ccc(C)o1 164095377 344237108 /nfs/dbraw/zinc/23/71/08/344237108.db2.gz IILUPRVUHMFYMQ-UHFFFAOYSA-N 1 0 195.306 3.256 10 0 AGAERO C[NH2+][C@@H](C)c1ccc(C2CCC2)cc1 164141100 344237743 /nfs/dbraw/zinc/23/77/43/344237743.db2.gz AZIUQXIDACGWMB-JTQLQIEISA-N 1 0 189.302 3.235 10 0 AGAERO C[NH2+][C@H](C)c1ccc(C2CCC2)cc1 164141213 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/nfs/dbraw/zinc/29/37/60/344293760.db2.gz SNNPYTGAZPOHKK-NWDGAFQWSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@@]1(CC2CCCC2)CC[C@H]([NH3+])C1 166962604 344293764 /nfs/dbraw/zinc/29/37/64/344293764.db2.gz SNNPYTGAZPOHKK-RYUDHWBXSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@]1(C2CCCCC2)CC[C@@H]([NH3+])C1 166974445 344293891 /nfs/dbraw/zinc/29/38/91/344293891.db2.gz INACVKDXBHYDHC-NEPJUHHUSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@]1(C2CCCCC2)CC[C@H]([NH3+])C1 166974247 344293943 /nfs/dbraw/zinc/29/39/43/344293943.db2.gz INACVKDXBHYDHC-RYUDHWBXSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@@]1(C2CCCCC2)CC[C@H]([NH3+])C1 166974343 344293947 /nfs/dbraw/zinc/29/39/47/344293947.db2.gz INACVKDXBHYDHC-NWDGAFQWSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@@]1(C2CCCCC2)CC[C@@H]([NH3+])C1 166974553 344294113 /nfs/dbraw/zinc/29/41/13/344294113.db2.gz INACVKDXBHYDHC-VXGBXAGGSA-N 1 0 181.323 3.084 10 0 AGAERO CCCC(=[NH2+])N[C@@H]1CCCC(C)(C)C1 167002354 344294964 /nfs/dbraw/zinc/29/49/64/344294964.db2.gz COOTZFOTDBDUND-SNVBAGLBSA-N 1 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191.318 3.295 10 0 AGAERO CCc1cccc([C@H]([NH3+])C(C)(C)C)c1 168071505 344319958 /nfs/dbraw/zinc/31/99/58/344319958.db2.gz YJVBJCPATHRFCM-LBPRGKRZSA-N 1 0 191.318 3.295 10 0 AGAERO CCc1cccc([C@@H]([NH3+])C2CCC2)c1 168142878 344321638 /nfs/dbraw/zinc/32/16/38/344321638.db2.gz IZVLPVJJQLUCBW-ZDUSSCGKSA-N 1 0 189.302 3.049 10 0 AGAERO CCc1cccc([C@H]([NH3+])C2CCC2)c1 168142811 344321645 /nfs/dbraw/zinc/32/16/45/344321645.db2.gz IZVLPVJJQLUCBW-CYBMUJFWSA-N 1 0 189.302 3.049 10 0 AGAERO CCc1cccc([C@@H]([NH3+])C2(C)CC2)c1 168231124 344325868 /nfs/dbraw/zinc/32/58/68/344325868.db2.gz DLSIYHAVKYPASS-GFCCVEGCSA-N 1 0 189.302 3.049 10 0 AGAERO CCc1cccc([C@H]([NH3+])C2(C)CC2)c1 168231036 344325939 /nfs/dbraw/zinc/32/59/39/344325939.db2.gz DLSIYHAVKYPASS-LBPRGKRZSA-N 1 0 189.302 3.049 10 0 AGAERO Cc1cc(C2CCC([NH3+])CC2)cs1 168835116 344338067 /nfs/dbraw/zinc/33/80/67/344338067.db2.gz YKYQYBOGEBKOGQ-UHFFFAOYSA-N 1 0 195.331 3.041 10 0 AGAERO Cc1ccsc1C1CCC([NH3+])CC1 168817886 344338082 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3.084 10 0 AGAERO C[C@@H]1CCC[C@@H](C)[NH+]1[Si](C)(C)C 216141802 344395194 /nfs/dbraw/zinc/39/51/94/344395194.db2.gz NFVBAYVEVKKWEE-NXEZZACHSA-N 1 0 185.387 3.084 10 0 AGAERO C[C@@H]1CCC[C@H]([C@@H]([NH3+])C(C)(C)C)C1 216384083 344397131 /nfs/dbraw/zinc/39/71/31/344397131.db2.gz AUIRUYAIKSHULB-OUAUKWLOSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@@H]1CCC[C@@H]([C@@H]([NH3+])C(C)(C)C)C1 216384177 344397146 /nfs/dbraw/zinc/39/71/46/344397146.db2.gz AUIRUYAIKSHULB-GMTAPVOTSA-N 1 0 183.339 3.186 10 0 AGAERO Cc1cc([C@H]([NH3+])[C@H]2C[C@H]2C)c(C)s1 216579315 344398722 /nfs/dbraw/zinc/39/87/22/344398722.db2.gz IJLYOAJOGCFGKD-OUAIYISWSA-N 1 0 195.331 3.021 10 0 AGAERO Cc1cc([C@H]([NH3+])[C@@H]2C[C@H]2C)c(C)s1 216579362 344398759 /nfs/dbraw/zinc/39/87/59/344398759.db2.gz IJLYOAJOGCFGKD-KNBVPPQFSA-N 1 0 195.331 3.021 10 0 AGAERO C[N@@H+]1CCC[C@@H]1c1ccccc1Cl 218221770 344410603 /nfs/dbraw/zinc/41/06/03/344410603.db2.gz IIPXKRUCKNKVMM-LLVKDONJSA-N 1 0 195.693 3.107 10 0 AGAERO N#[N+]c1cccc2cc(O)ccc12 218206390 344410680 /nfs/dbraw/zinc/41/06/80/344410680.db2.gz FTADUCSMQDIHJI-UHFFFAOYSA-O 1 0 171.179 3.030 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](C(C)(C)C)C1 218437594 344412316 /nfs/dbraw/zinc/41/23/16/344412316.db2.gz BODWJYZGGXGLMT-OUAUKWLOSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](C(C)(C)C)C1 218437739 344412511 /nfs/dbraw/zinc/41/25/11/344412511.db2.gz BODWJYZGGXGLMT-VWYCJHECSA-N 1 0 183.339 3.186 10 0 AGAERO CCC[C@@H]1CC[C@H]([NH3+])[C@@H](C(C)C)C1 218479699 344412608 /nfs/dbraw/zinc/41/26/08/344412608.db2.gz ZLWHPVIELNTYKY-UTUOFQBUSA-N 1 0 183.339 3.186 10 0 AGAERO CCC[C@@H]1CC[C@@H]([NH3+])[C@@H](C(C)C)C1 218479536 344412892 /nfs/dbraw/zinc/41/28/92/344412892.db2.gz ZLWHPVIELNTYKY-IJLUTSLNSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@@H](C(C)C)C1 218514267 344413202 /nfs/dbraw/zinc/41/32/02/344413202.db2.gz YKPYXKKGQMFPGP-UTUOFQBUSA-N 1 0 183.339 3.042 10 0 AGAERO CC[C@H](C)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] 218511053 344413205 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/nfs/dbraw/zinc/41/36/90/344413690.db2.gz ANEAUJXXXAGQNN-WXHSDQCUSA-N 1 0 195.350 3.330 10 0 AGAERO CC(C)C[C@H]([NH3+])[C@@H]1CCC[C@@H](C)C1 218566122 344413723 /nfs/dbraw/zinc/41/37/23/344413723.db2.gz VTMGNCGHUOIODT-UTUOFQBUSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](C(C)(C)C)C1 218617303 344413864 /nfs/dbraw/zinc/41/38/64/344413864.db2.gz VUOAMEZSRMNJHE-VWYCJHECSA-N 1 0 183.339 3.044 10 0 AGAERO C[C@@H]1CC[C@H](C[NH3+])[C@@H](C(C)(C)C)C1 218617457 344413947 /nfs/dbraw/zinc/41/39/47/344413947.db2.gz VUOAMEZSRMNJHE-MXWKQRLJSA-N 1 0 183.339 3.044 10 0 AGAERO C[C@@H]1CC[C@H](C[NH3+])[C@@H](C2CCCC2)C1 218583974 344413977 /nfs/dbraw/zinc/41/39/77/344413977.db2.gz PHQWCKQJXFXATJ-RAIGVLPGSA-N 1 0 195.350 3.188 10 0 AGAERO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](C2CCCC2)C1 218583855 344414067 /nfs/dbraw/zinc/41/40/67/344414067.db2.gz PHQWCKQJXFXATJ-KGYLQXTDSA-N 1 0 195.350 3.188 10 0 AGAERO CCC[C@H]([NH3+])[C@@H]1CC[C@@H](C)C[C@@H]1C 219271262 344421883 /nfs/dbraw/zinc/42/18/83/344421883.db2.gz SVPLMOISCRTGCY-KXNHARMFSA-N 1 0 183.339 3.186 10 0 AGAERO CCC[C@H]([NH3+])[C@@H]1CCC[C@@H](C)[C@@H]1C 219272868 344421997 /nfs/dbraw/zinc/42/19/97/344421997.db2.gz FRAYTXJVXZHSEL-KXNHARMFSA-N 1 0 183.339 3.186 10 0 AGAERO CC1(C)C[NH2+][C@@H]1c1ccc(Cl)cc1 219526627 344425145 /nfs/dbraw/zinc/42/51/45/344425145.db2.gz WVKXQSHVZCFXPQ-SNVBAGLBSA-N 1 0 195.693 3.011 10 0 AGAERO CC1(C)C[NH2+][C@H]1c1ccc(Cl)cc1 219526701 344425161 /nfs/dbraw/zinc/42/51/61/344425161.db2.gz WVKXQSHVZCFXPQ-JTQLQIEISA-N 1 0 195.693 3.011 10 0 AGAERO Cc1ccc([C@H](C)[C@H](C)[NH3+])cc1Cl 219637734 344426018 /nfs/dbraw/zinc/42/60/18/344426018.db2.gz GOZOZHBETMJJSV-BDAKNGLRSA-N 1 0 197.709 3.099 10 0 AGAERO Cc1cc(Cl)ccc1[C@H](C)[C@H](C)[NH3+] 219637411 344426040 /nfs/dbraw/zinc/42/60/40/344426040.db2.gz NLXRQNUVSAYTNS-BDAKNGLRSA-N 1 0 197.709 3.099 10 0 AGAERO Cc1cc(Cl)ccc1[C@@H](C)[C@H](C)[NH3+] 219637329 344426043 /nfs/dbraw/zinc/42/60/43/344426043.db2.gz NLXRQNUVSAYTNS-IUCAKERBSA-N 1 0 197.709 3.099 10 0 AGAERO Cc1ccc([C@@H](C)[C@@H](C)[NH3+])cc1Cl 219637514 344426129 /nfs/dbraw/zinc/42/61/29/344426129.db2.gz GOZOZHBETMJJSV-DTWKUNHWSA-N 1 0 197.709 3.099 10 0 AGAERO Cc1cc(Cl)ccc1[C@H](C)[C@@H](C)[NH3+] 219637256 344426325 /nfs/dbraw/zinc/42/63/25/344426325.db2.gz NLXRQNUVSAYTNS-RKDXNWHRSA-N 1 0 197.709 3.099 10 0 AGAERO Cc1cc(Cl)ccc1[C@@H](C)[C@@H](C)[NH3+] 219637182 344426375 /nfs/dbraw/zinc/42/63/75/344426375.db2.gz NLXRQNUVSAYTNS-DTWKUNHWSA-N 1 0 197.709 3.099 10 0 AGAERO Cc1ccc([C@H](C)[C@@H](C)[NH3+])cc1Cl 219637585 344426478 /nfs/dbraw/zinc/42/64/78/344426478.db2.gz GOZOZHBETMJJSV-RKDXNWHRSA-N 1 0 197.709 3.099 10 0 AGAERO CC(C)=C[C@H]([NH3+])[C@@H]1CCC[C@@H](C)C1 219899641 344429228 /nfs/dbraw/zinc/42/92/28/344429228.db2.gz XLMMLNLTXMHFCJ-UTUOFQBUSA-N 1 0 181.323 3.106 10 0 AGAERO CC(C)=C[C@H]([NH3+])[C@H]1CCC[C@@H](C)C1 219899681 344429512 /nfs/dbraw/zinc/42/95/12/344429512.db2.gz XLMMLNLTXMHFCJ-WOPDTQHZSA-N 1 0 181.323 3.106 10 0 AGAERO CC(C)[C@](C)([NH3+])C1C[C@H](C)C[C@@H](C)C1 220267164 344431566 /nfs/dbraw/zinc/43/15/66/344431566.db2.gz HCLYSNYBWKSSBQ-WZRBSPASSA-N 1 0 197.366 3.432 10 0 AGAERO CC[C@](C)([NH3+])C1C[C@H](C)C[C@@H](C)C1 220266975 344431667 /nfs/dbraw/zinc/43/16/67/344431667.db2.gz OMVVCUHQWAYNPH-FOGDFJRCSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H]([NH2+]C)[C@@H]1C[C@@H](C)CC[C@@H]1C 220790476 344435263 /nfs/dbraw/zinc/43/52/63/344435263.db2.gz ZWZNISCFWNPNPA-YFKTTZPYSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@H]([NH2+]C)[C@@H]1CC[C@@H](C)C[C@@H]1C 220789605 344435298 /nfs/dbraw/zinc/43/52/98/344435298.db2.gz BMOZGMYPNGLXAV-KXNHARMFSA-N 1 0 183.339 3.057 10 0 AGAERO CC[C@H]([NH3+])[C@@H]1C[C@@H](C)CC(C)(C)C1 220788865 344435422 /nfs/dbraw/zinc/43/54/22/344435422.db2.gz PZBYXHJANNZAEZ-MXWKQRLJSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@H]([NH3+])[C@H]1CC[C@@H](C)C[C@@H]1C 220834719 344435717 /nfs/dbraw/zinc/43/57/17/344435717.db2.gz GBZIFFDNSYAYNM-RHYQMDGZSA-N 1 0 183.339 3.042 10 0 AGAERO CC(C)[C@H]([NH3+])C1[C@@H](C)CCC[C@@H]1C 220837623 344435726 /nfs/dbraw/zinc/43/57/26/344435726.db2.gz TZUICSXURWFMRD-NHCYSSNCSA-N 1 0 183.339 3.042 10 0 AGAERO CC(C)[C@H]([NH3+])[C@@H]1CCC[C@@H](C)CC1 220834818 344435748 /nfs/dbraw/zinc/43/57/48/344435748.db2.gz AUNMXEVFKUUJFK-UTUOFQBUSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@H]([NH3+])[C@@H]1CCC[C@@H](C)[C@@H]1C 220837849 344435751 /nfs/dbraw/zinc/43/57/51/344435751.db2.gz VYLRCTCDCXFRKU-KXNHARMFSA-N 1 0 183.339 3.042 10 0 AGAERO CC(C)[C@H]([NH3+])[C@@H]1C[C@@H](C)CC(C)(C)C1 220838582 344435758 /nfs/dbraw/zinc/43/57/58/344435758.db2.gz VETXHOPAEAAGPD-UTUOFQBUSA-N 1 0 197.366 3.432 10 0 AGAERO CC(C)[C@H]([NH3+])[C@H]1C[C@@H](C)CC(C)(C)C1 220838648 344435810 /nfs/dbraw/zinc/43/58/10/344435810.db2.gz VETXHOPAEAAGPD-WOPDTQHZSA-N 1 0 197.366 3.432 10 0 AGAERO C[NH2+][C@H](C(C)C)[C@@H]1CCC[C@@H](C)[C@@H]1C 220842687 344435835 /nfs/dbraw/zinc/43/58/35/344435835.db2.gz BPGINGXGDUUCGB-YVECIDJPSA-N 1 0 197.366 3.303 10 0 AGAERO CC(C)[C@H]([NH3+])[C@H]1CCC[C@@H](C)CC1 220834881 344435905 /nfs/dbraw/zinc/43/59/05/344435905.db2.gz AUNMXEVFKUUJFK-WOPDTQHZSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@@H]([NH3+])[C@H]1CC[C@@H](C)C[C@@H]1C 220834658 344435928 /nfs/dbraw/zinc/43/59/28/344435928.db2.gz GBZIFFDNSYAYNM-NOOOWODRSA-N 1 0 183.339 3.042 10 0 AGAERO CC[C@](C)([NH3+])[C@@H]1CC[C@@H](C)[C@@H](C)C1 221140788 344438579 /nfs/dbraw/zinc/43/85/79/344438579.db2.gz DQJCDKWCAHUALR-KXNHARMFSA-N 1 0 183.339 3.186 10 0 AGAERO CCC[C@@H]1C[C@]1([NH3+])[C@@H]1CCC[C@@H](C)C1 221142412 344438724 /nfs/dbraw/zinc/43/87/24/344438724.db2.gz CAQUWLUTFHXBDX-LPWJVIDDSA-N 1 0 195.350 3.330 10 0 AGAERO C[NH+](C)[C@H](C1=CCC=C1)c1ccccc1 221405993 344442757 /nfs/dbraw/zinc/44/27/57/344442757.db2.gz PRWBLDOVLRNWBW-AWEZNQCLSA-N 1 0 198.289 3.057 10 0 AGAERO C[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1C 221585088 344444385 /nfs/dbraw/zinc/44/43/85/344444385.db2.gz ZMGUKELTOHQBPI-GARJFASQSA-N 1 0 183.339 3.057 10 0 AGAERO C[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1C 221585032 344444600 /nfs/dbraw/zinc/44/46/00/344444600.db2.gz ZMGUKELTOHQBPI-HBNTYKKESA-N 1 0 183.339 3.057 10 0 AGAERO CC(C)C[C@]1([NH3+])CCC[C@@H](C)[C@@H]1C 221680742 344444908 /nfs/dbraw/zinc/44/49/08/344444908.db2.gz KWPIICXHYQMBJL-GRYCIOLGSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)C[C@]1([NH3+])CCC[C@H](C)[C@@H]1C 221680843 344445107 /nfs/dbraw/zinc/44/51/07/344445107.db2.gz KWPIICXHYQMBJL-SDDRHHMPSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@H]1CC[C@@H](C)C[C@]1([NH3+])C1CCCC1 221777656 344445613 /nfs/dbraw/zinc/44/56/13/344445613.db2.gz ORBQEGFHTWMLEH-NTZNESFSSA-N 1 0 195.350 3.330 10 0 AGAERO CC(C)C[C@]1([NH3+])CC[C@@H](C)C[C@@H]1C 221709290 344445615 /nfs/dbraw/zinc/44/56/15/344445615.db2.gz ZOVPABCVLZBYNN-GRYCIOLGSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@@H]1CC[C@@H](C)[C@@]([NH3+])(C2CCCC2)C1 221777549 344445631 /nfs/dbraw/zinc/44/56/31/344445631.db2.gz ORBQEGFHTWMLEH-NQBHXWOUSA-N 1 0 195.350 3.330 10 0 AGAERO CC1(C)[C@H]2CC[C@]1(C)c1cnccc12 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/nfs/dbraw/zinc/62/81/83/344628183.db2.gz IMJJIFLZRLNUGJ-IJLUTSLNSA-N 1 0 193.334 3.097 10 0 AGAERO CC[NH2+][C@H](C)c1csc(Cl)c1 230407285 344634986 /nfs/dbraw/zinc/63/49/86/344634986.db2.gz FWFRVXPBAMKCON-ZCFIWIBFSA-N 1 0 189.711 3.072 10 0 AGAERO CC1(C)CC[C@@H]([NH2+]CC2(C)CCC2)C1 230396149 344634993 /nfs/dbraw/zinc/63/49/93/344634993.db2.gz MKXUVCJONKBPAG-LLVKDONJSA-N 1 0 195.350 3.345 10 0 AGAERO CC[NH2+][C@@H](C)c1csc(Cl)c1 230407281 344635031 /nfs/dbraw/zinc/63/50/31/344635031.db2.gz FWFRVXPBAMKCON-LURJTMIESA-N 1 0 189.711 3.072 10 0 AGAERO CC1(C)CC[C@H]([NH2+]CC2(C)CCC2)C1 230396151 344635238 /nfs/dbraw/zinc/63/52/38/344635238.db2.gz MKXUVCJONKBPAG-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO C[C@@H]1CCC[C@@H]1CNC(=[NH2+])C(C)(C)C 230716187 344640118 /nfs/dbraw/zinc/64/01/18/344640118.db2.gz DWRUIFBTJMGCQI-NXEZZACHSA-N 1 0 196.338 3.036 10 0 AGAERO C[C@H]1CCC[C@@H]1CNC(=[NH2+])C(C)(C)C 230716189 344640295 /nfs/dbraw/zinc/64/02/95/344640295.db2.gz DWRUIFBTJMGCQI-VHSXEESVSA-N 1 0 196.338 3.036 10 0 AGAERO CC(C)C[C@@H]1CCC[C@@]2(C1)C[C@@H]2C[NH3+] 230791802 344643103 /nfs/dbraw/zinc/64/31/03/344643103.db2.gz CTLWMFPLLZQFCX-YNEHKIRRSA-N 1 0 195.350 3.188 10 0 AGAERO C=Cc1ccc([C@@H](C)[NH3+])c(Cl)c1 230791074 344643201 /nfs/dbraw/zinc/64/32/01/344643201.db2.gz AKLJXMKGAYBUSN-SSDOTTSWSA-N 1 0 181.666 3.003 10 0 AGAERO CC(C)C[C@@H]1CCC[C@]2(C1)C[C@@H]2C[NH3+] 230791798 344643225 /nfs/dbraw/zinc/64/32/25/344643225.db2.gz CTLWMFPLLZQFCX-XQQFMLRXSA-N 1 0 195.350 3.188 10 0 AGAERO C=Cc1ccc([C@H](C)[NH3+])c(Cl)c1 230791077 344643244 /nfs/dbraw/zinc/64/32/44/344643244.db2.gz AKLJXMKGAYBUSN-ZETCQYMHSA-N 1 0 181.666 3.003 10 0 AGAERO CCC(C)(CC)NC1=[NH+]CCCCC1 230958681 344646166 /nfs/dbraw/zinc/64/61/66/344646166.db2.gz XXIHJBQMTCGUEB-UHFFFAOYSA-N 1 0 196.338 3.127 10 0 AGAERO CCC(C)(CC)Nc1cc[nH+]c(C)c1 230963080 344646752 /nfs/dbraw/zinc/64/67/52/344646752.db2.gz FIMYNJJDQHCFSR-UHFFFAOYSA-N 1 0 192.306 3.381 10 0 AGAERO CCC(C)(CC)Nc1cc[nH+]cc1 230962754 344646791 /nfs/dbraw/zinc/64/67/91/344646791.db2.gz CHZXUOSTFMVMMX-UHFFFAOYSA-N 1 0 178.279 3.072 10 0 AGAERO CC(C)[C@H]1CCC[C@]([NH3+])(C(C)C)C1 231013908 344647229 /nfs/dbraw/zinc/64/72/29/344647229.db2.gz FKVSBPGHTZLSJQ-NWDGAFQWSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@@H]1CCC[C@@]([NH3+])(C(C)C)C1 231013900 344647276 /nfs/dbraw/zinc/64/72/76/344647276.db2.gz FKVSBPGHTZLSJQ-NEPJUHHUSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@H]1CCC[C@@]([NH3+])(C(C)C)C1 231013903 344647279 /nfs/dbraw/zinc/64/72/79/344647279.db2.gz FKVSBPGHTZLSJQ-RYUDHWBXSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@@H]1CCC[C@]([NH3+])(C(C)C)C1 231013905 344647344 /nfs/dbraw/zinc/64/73/44/344647344.db2.gz FKVSBPGHTZLSJQ-VXGBXAGGSA-N 1 0 183.339 3.186 10 0 AGAERO CO[C@@H](C(C)=[NH2+])c1c(C)cccc1C 231418753 344653080 /nfs/dbraw/zinc/65/30/80/344653080.db2.gz HWTDEERWDQAGBX-LBPRGKRZSA-N 1 0 191.274 3.031 10 0 AGAERO CO[C@H](C(C)=[NH2+])c1c(C)cccc1C 231418778 344653122 /nfs/dbraw/zinc/65/31/22/344653122.db2.gz HWTDEERWDQAGBX-GFCCVEGCSA-N 1 0 191.274 3.031 10 0 AGAERO C/C(=C\c1cc(C)sc1C)[C@H](C)[NH3+] 231753195 344659569 /nfs/dbraw/zinc/65/95/69/344659569.db2.gz JOBZRTKUPQFRID-IWGCBNPKSA-N 1 0 195.331 3.115 10 0 AGAERO C/C(=C\C1CCC(C)CC1)[C@H](C)[NH3+] 231754066 344659585 /nfs/dbraw/zinc/65/95/85/344659585.db2.gz YASBFVPZUUEURT-NDYJSINXSA-N 1 0 181.323 3.106 10 0 AGAERO C/C(=C\c1cccc(Cl)c1)[C@H](C)[NH3+] 231754325 344659616 /nfs/dbraw/zinc/65/96/16/344659616.db2.gz KPQXQCYICHDCLO-ORZBULNSSA-N 1 0 195.693 3.091 10 0 AGAERO C/C(=C\[C@@H]1CCC[C@H](C)C1)[C@@H](C)[NH3+] 231754386 344659644 /nfs/dbraw/zinc/65/96/44/344659644.db2.gz PDLVNHGUDFMVCF-RRUJWPSXSA-N 1 0 181.323 3.106 10 0 AGAERO C/C(=C\c1cccc(Cl)c1)[C@@H](C)[NH3+] 231754322 344659622 /nfs/dbraw/zinc/65/96/22/344659622.db2.gz KPQXQCYICHDCLO-BNICOGTQSA-N 1 0 195.693 3.091 10 0 AGAERO C/C(=C\C1CCCCCC1)[C@H](C)[NH3+] 231753751 344659635 /nfs/dbraw/zinc/65/96/35/344659635.db2.gz ISDLWELQDHYFNU-USKTWTLRSA-N 1 0 181.323 3.250 10 0 AGAERO C/C(=C\C1CCC(C)CC1)[C@@H](C)[NH3+] 231754064 344659671 /nfs/dbraw/zinc/65/96/71/344659671.db2.gz YASBFVPZUUEURT-OYKKUTCTSA-N 1 0 181.323 3.106 10 0 AGAERO C/C(=C\C1CCCCCC1)[C@@H](C)[NH3+] 231753748 344659701 /nfs/dbraw/zinc/65/97/01/344659701.db2.gz ISDLWELQDHYFNU-PBQZMEPESA-N 1 0 181.323 3.250 10 0 AGAERO C/C(=C\c1cc(C)sc1C)[C@@H](C)[NH3+] 231753191 344659711 /nfs/dbraw/zinc/65/97/11/344659711.db2.gz JOBZRTKUPQFRID-VPIOIWJLSA-N 1 0 195.331 3.115 10 0 AGAERO C/C(=C\c1ccc(Cl)cc1)[C@H](C)[NH3+] 231753609 344659780 /nfs/dbraw/zinc/65/97/80/344659780.db2.gz PSQRRXALIOKYQQ-FLOXNTQESA-N 1 0 195.693 3.091 10 0 AGAERO C[NH2+][C@H](C)/C(C)=C/[C@@H]1CCC[C@@H](C)C1 231762833 344660069 /nfs/dbraw/zinc/66/00/69/344660069.db2.gz OEOSWSZTZWVZAC-XZCYKALCSA-N 1 0 195.350 3.367 10 0 AGAERO C/C(=C\c1ccccc1Cl)[C@@H](C)[NH3+] 231755063 344660156 /nfs/dbraw/zinc/66/01/56/344660156.db2.gz USBPWLRXYCITMS-FCZSHJHJSA-N 1 0 195.693 3.091 10 0 AGAERO CC[C@](C)([NH3+])c1ccc(C)c(Cl)c1 231983221 344668731 /nfs/dbraw/zinc/66/87/31/344668731.db2.gz FBVNSQCGUKNLNP-NSHDSACASA-N 1 0 197.709 3.232 10 0 AGAERO CC[C@@](C)([NH3+])c1ccc(C)c(Cl)c1 231983218 344668738 /nfs/dbraw/zinc/66/87/38/344668738.db2.gz FBVNSQCGUKNLNP-LLVKDONJSA-N 1 0 197.709 3.232 10 0 AGAERO CCC[C@]1(CC)[NH2+][C@@H](C)CCS1 233367004 344701048 /nfs/dbraw/zinc/70/10/48/344701048.db2.gz APHQTQLIJCXHJT-VHSXEESVSA-N 1 0 187.352 3.008 10 0 AGAERO [NH3+][C@@H](CC1CCC1)C1=CCCCCC1 232157745 344672849 /nfs/dbraw/zinc/67/28/49/344672849.db2.gz ZPQWOVDZYAGJLR-ZDUSSCGKSA-N 1 0 193.334 3.394 10 0 AGAERO [NH3+][C@H](CC1CCC1)C1=CCCCCC1 232157746 344672953 /nfs/dbraw/zinc/67/29/53/344672953.db2.gz ZPQWOVDZYAGJLR-CYBMUJFWSA-N 1 0 193.334 3.394 10 0 AGAERO CCC(=[NH2+])Nc1cc(C)ccc1Cl 232253811 344673304 /nfs/dbraw/zinc/67/33/04/344673304.db2.gz HXOIFVBBYCWJCS-UHFFFAOYSA-N 1 0 196.681 3.448 10 0 AGAERO C/C(=C/c1ccc(C)c(Cl)c1)C[NH3+] 232457617 344677916 /nfs/dbraw/zinc/67/79/16/344677916.db2.gz LPURJFMIAZGHHP-YVMONPNESA-N 1 0 195.693 3.010 10 0 AGAERO C/C(=C/c1ccc(Cl)cc1C)C[NH3+] 232457679 344677933 /nfs/dbraw/zinc/67/79/33/344677933.db2.gz RRBMUGNLLILGBB-YVMONPNESA-N 1 0 195.693 3.010 10 0 AGAERO C/C(=C/c1ccc(C)cc1Cl)C[NH3+] 232457638 344677947 /nfs/dbraw/zinc/67/79/47/344677947.db2.gz LQWBRYKSQJGHQN-UITAMQMPSA-N 1 0 195.693 3.010 10 0 AGAERO C/C=C/C[NH2+]C1CCC(C)(C)CC1 232459230 344677949 /nfs/dbraw/zinc/67/79/49/344677949.db2.gz PTDDYWIDHIFYCL-SNAWJCMRSA-N 1 0 181.323 3.121 10 0 AGAERO C1C[C@@H]2[NH2+][C@@H](CCC3CC3)CC[C@H]2C1 232464957 344678221 /nfs/dbraw/zinc/67/82/21/344678221.db2.gz HYPUYQGYVXAGRL-AGIUHOORSA-N 1 0 193.334 3.097 10 0 AGAERO C1C[C@@H]2[NH2+][C@H](CCC3CC3)CC[C@H]2C1 232464893 344678396 /nfs/dbraw/zinc/67/83/96/344678396.db2.gz HYPUYQGYVXAGRL-UPJWGTAASA-N 1 0 193.334 3.097 10 0 AGAERO C1CCC([C@@H]2CC[C@H]3CCC[C@@H]3[NH2+]2)C1 232470766 344679303 /nfs/dbraw/zinc/67/93/03/344679303.db2.gz JJLXHESKTOSXPK-AGIUHOORSA-N 1 0 193.334 3.097 10 0 AGAERO C1CCC([C@@H]2CC[C@@H]3CCC[C@@H]3[NH2+]2)C1 232470745 344679417 /nfs/dbraw/zinc/67/94/17/344679417.db2.gz JJLXHESKTOSXPK-AVGNSLFASA-N 1 0 193.334 3.097 10 0 AGAERO CC(C)(C)[C@@](F)(C[NH3+])C1=CCCCC1 232501399 344680385 /nfs/dbraw/zinc/68/03/85/344680385.db2.gz NODZAOGLEJXXAN-GFCCVEGCSA-N 1 0 199.313 3.200 10 0 AGAERO CC(C)(C)[C@](F)(C[NH3+])C1=CCCCC1 232511099 344680517 /nfs/dbraw/zinc/68/05/17/344680517.db2.gz NODZAOGLEJXXAN-LBPRGKRZSA-N 1 0 199.313 3.200 10 0 AGAERO CC(C)=C[C@@H]([NH3+])C1(C)CCCCC1 232557219 344682793 /nfs/dbraw/zinc/68/27/93/344682793.db2.gz OBEZNWDURAXOIU-LLVKDONJSA-N 1 0 181.323 3.250 10 0 AGAERO CC(C)C(=[NH2+])NC[C@H]1CCC[C@@H](C)C1 232581251 344684302 /nfs/dbraw/zinc/68/43/02/344684302.db2.gz ZJIIRKBIUKGQKU-MNOVXSKESA-N 1 0 196.338 3.036 10 0 AGAERO CC(C)C(=[NH2+])NCC1(C)CCCCC1 232580132 344684341 /nfs/dbraw/zinc/68/43/41/344684341.db2.gz PVDBHVBNXIGCJD-UHFFFAOYSA-N 1 0 196.338 3.180 10 0 AGAERO CC(C)C(=[NH2+])NC[C@@H]1CCC[C@@H](C)C1 232581013 344684411 /nfs/dbraw/zinc/68/44/11/344684411.db2.gz ZJIIRKBIUKGQKU-GHMZBOCLSA-N 1 0 196.338 3.036 10 0 AGAERO CC(C)[C@@H]([NH3+])C1=CCCCCCC1 232704349 344688176 /nfs/dbraw/zinc/68/81/76/344688176.db2.gz WWSOWLIPQDIPQB-GFCCVEGCSA-N 1 0 181.323 3.250 10 0 AGAERO CC(C)[C@H]([NH3+])[C@H]1CC(C)(C)C[C@@H]1C 232731484 344688479 /nfs/dbraw/zinc/68/84/79/344688479.db2.gz IVUYBJRNFSVILH-DCAQKATOSA-N 1 0 183.339 3.042 10 0 AGAERO CC(C)[C@H]([NH3+])[C@@H]1CC(C)(C)C[C@@H]1C 232729040 344688530 /nfs/dbraw/zinc/68/85/30/344688530.db2.gz IVUYBJRNFSVILH-AXFHLTTASA-N 1 0 183.339 3.042 10 0 AGAERO CC(C)[C@H]([NH3+])C1=CCCCCCC1 232716729 344688742 /nfs/dbraw/zinc/68/87/42/344688742.db2.gz WWSOWLIPQDIPQB-LBPRGKRZSA-N 1 0 181.323 3.250 10 0 AGAERO CC1(C)C[C@H]1[C@H]([NH3+])CC1CCCCC1 232783413 344690356 /nfs/dbraw/zinc/69/03/56/344690356.db2.gz VNBUUMYBXJXSIL-NWDGAFQWSA-N 1 0 195.350 3.330 10 0 AGAERO CC1(C)C[C@@H]1[C@@H]([NH3+])CC1CCCCC1 232808400 344691833 /nfs/dbraw/zinc/69/18/33/344691833.db2.gz VNBUUMYBXJXSIL-NEPJUHHUSA-N 1 0 195.350 3.330 10 0 AGAERO CC1([NH2+][C@@H]2C=CCCC2)CCCC1 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251212834 344849557 /nfs/dbraw/zinc/84/95/57/344849557.db2.gz DQJCDKWCAHUALR-KKOKHZNYSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@](C)([NH3+])[C@@H]1CC[C@H](C)[C@@H](C)C1 251212836 344849765 /nfs/dbraw/zinc/84/97/65/344849765.db2.gz DQJCDKWCAHUALR-YFKTTZPYSA-N 1 0 183.339 3.186 10 0 AGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)s1 251254812 344850514 /nfs/dbraw/zinc/85/05/14/344850514.db2.gz VFTKNJQIWRIBNI-FKTZTGRPSA-N 1 0 195.331 3.116 10 0 AGAERO CCC[C@H]([NH3+])[C@@H]1CCC[C@@H](C)[C@H]1C 251275321 344850882 /nfs/dbraw/zinc/85/08/82/344850882.db2.gz FRAYTXJVXZHSEL-KKOKHZNYSA-N 1 0 183.339 3.186 10 0 AGAERO CCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1[NH3+] 251295111 344851461 /nfs/dbraw/zinc/85/14/61/344851461.db2.gz QKNOYTQBSKSEGX-HBNTYKKESA-N 1 0 183.339 3.186 10 0 AGAERO CCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH3+] 251295105 344851536 /nfs/dbraw/zinc/85/15/36/344851536.db2.gz QKNOYTQBSKSEGX-GMTAPVOTSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H]([NH3+])[C@@H]1CCCC[C@H]1C(C)C 251313264 344851784 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SVPLMOISCRTGCY-QCNOEVLYSA-N 1 0 183.339 3.186 10 0 AGAERO CCC[C@H]([NH3+])[C@@H]1CC[C@@H](C)C[C@H]1C 251364902 344852923 /nfs/dbraw/zinc/85/29/23/344852923.db2.gz SVPLMOISCRTGCY-KKOKHZNYSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H]([NH3+])[C@H]1CCC(C)(C)C[C@H]1C 251389556 344853228 /nfs/dbraw/zinc/85/32/28/344853228.db2.gz VYYZCEVNOIMDDS-VWYCJHECSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H]([NH3+])[C@@H]1CCC(C)(C)C[C@H]1C 251389554 344853301 /nfs/dbraw/zinc/85/33/01/344853301.db2.gz VYYZCEVNOIMDDS-MXWKQRLJSA-N 1 0 183.339 3.186 10 0 AGAERO CCCC(=[NH2+])N[C@@H]1CC[C@H](C)C[C@H]1C 251400642 344853636 /nfs/dbraw/zinc/85/36/36/344853636.db2.gz ZQGGIPDEMBNYMQ-HBNTYKKESA-N 1 0 196.338 3.178 10 0 AGAERO CC[C@@H]1[C@@H]2CCCCCC[C@@H]2[C@H]1[NH2+]C 251452880 344854062 /nfs/dbraw/zinc/85/40/62/344854062.db2.gz AEDCHRADACRQIB-VOAKCMCISA-N 1 0 195.350 3.201 10 0 AGAERO CC[C@@H]1[C@@H]2CCCCCC[C@H]2[C@H]1[NH2+]C 251452885 344854074 /nfs/dbraw/zinc/85/40/74/344854074.db2.gz AEDCHRADACRQIB-XQHKEYJVSA-N 1 0 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3.099 10 0 AGAERO CC[C@@](C)([NH3+])CC1(C)CCCC1 306209270 345099002 /nfs/dbraw/zinc/09/90/02/345099002.db2.gz BJEQBBVJQMEOOV-LLVKDONJSA-N 1 0 169.312 3.084 10 0 AGAERO F[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 306210625 345099809 /nfs/dbraw/zinc/09/98/09/345099809.db2.gz JBVLLBPCANOQBY-NWDGAFQWSA-N 1 0 199.313 3.047 10 0 AGAERO F[C@@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 306210627 345099908 /nfs/dbraw/zinc/09/99/08/345099908.db2.gz JBVLLBPCANOQBY-VXGBXAGGSA-N 1 0 199.313 3.047 10 0 AGAERO F[C@H]1CC[C@H]([NH2+]CC2CCCCC2)C1 306210626 345100016 /nfs/dbraw/zinc/10/00/16/345100016.db2.gz JBVLLBPCANOQBY-RYUDHWBXSA-N 1 0 199.313 3.047 10 0 AGAERO C[C@H]1CCC[C@@H](CC2(C)CCC2)[NH2+]1 306211688 345101055 /nfs/dbraw/zinc/10/10/55/345101055.db2.gz RSAYFQHQJLLLFE-QWRGUYRKSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@H]1CCC[C@H](CC2(C)CCC2)[NH2+]1 306211689 345101285 /nfs/dbraw/zinc/10/12/85/345101285.db2.gz RSAYFQHQJLLLFE-WDEREUQCSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@@H]1CCC[C@@H](CC2(C)CCC2)[NH2+]1 306211687 345101436 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3.153 10 0 AGAERO CC[C@]1(C)CC[N@@H+]([C@@H](C)C(C)C)C1 306217225 345108763 /nfs/dbraw/zinc/10/87/63/345108763.db2.gz CZQRSEIHNAIGBS-NWDGAFQWSA-N 1 0 183.339 3.153 10 0 AGAERO CC[C@@]1(C)CC[N@@H+]([C@H](C)C(C)C)C1 306217224 345108860 /nfs/dbraw/zinc/10/88/60/345108860.db2.gz CZQRSEIHNAIGBS-NEPJUHHUSA-N 1 0 183.339 3.153 10 0 AGAERO C[C@@H]1CC[C@H]1[NH2+]C(C)(C)C1CCCC1 306218138 345110139 /nfs/dbraw/zinc/11/01/39/345110139.db2.gz LCDOQEFCTLYERJ-ZYHUDNBSSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@H]1CC[C@H]1[NH2+]C(C)(C)C1CCCC1 306218135 345110153 /nfs/dbraw/zinc/11/01/53/345110153.db2.gz LCDOQEFCTLYERJ-CMPLNLGQSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@@H]1CC[C@@H]1[NH2+]C(C)(C)C1CCCC1 306218137 345110246 /nfs/dbraw/zinc/11/02/46/345110246.db2.gz LCDOQEFCTLYERJ-PWSUYJOCSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@H]1CC[C@@H]1[NH2+]C(C)(C)C1CCCC1 306218136 345110318 /nfs/dbraw/zinc/11/03/18/345110318.db2.gz LCDOQEFCTLYERJ-JQWIXIFHSA-N 1 0 195.350 3.343 10 0 AGAERO CC(C)[C@H]1CC[N@@H+]1C1CCCCC1 306221936 345114801 /nfs/dbraw/zinc/11/48/01/345114801.db2.gz WOKYDQWEBIHCJT-GFCCVEGCSA-N 1 0 181.323 3.049 10 0 AGAERO CC(C)[C@@H]1CC[N@@H+]1C1CCCCC1 306221937 345114901 /nfs/dbraw/zinc/11/49/01/345114901.db2.gz WOKYDQWEBIHCJT-LBPRGKRZSA-N 1 0 181.323 3.049 10 0 AGAERO CC1(C)CCC([NH2+]CC2(F)CC2)CC1 306222648 345115329 /nfs/dbraw/zinc/11/53/29/345115329.db2.gz QXOIFDMUBTWYHI-UHFFFAOYSA-N 1 0 199.313 3.047 10 0 AGAERO CCC1([C@@H]([NH3+])c2cc(C)oc2C)CC1 306223997 345117016 /nfs/dbraw/zinc/11/70/16/345117016.db2.gz CYJKFBQIPLGAGQ-NSHDSACASA-N 1 0 193.290 3.086 10 0 AGAERO CCC1([C@H]([NH3+])c2cc(C)oc2C)CC1 306223995 345117105 /nfs/dbraw/zinc/11/71/05/345117105.db2.gz CYJKFBQIPLGAGQ-LLVKDONJSA-N 1 0 193.290 3.086 10 0 AGAERO CC(C)[C@@H]1CC[N@H+](CC(C)(C)C)C1 306228532 345121822 /nfs/dbraw/zinc/12/18/22/345121822.db2.gz XFIJGVHJLUEHSM-LLVKDONJSA-N 1 0 183.339 3.010 10 0 AGAERO CC(C)[C@H]1CC[N@H+](CC(C)(C)C)C1 306228534 345121844 /nfs/dbraw/zinc/12/18/44/345121844.db2.gz XFIJGVHJLUEHSM-NSHDSACASA-N 1 0 183.339 3.010 10 0 AGAERO CC1(C)CCC([NH3+])(C2CCC2)CC1 306229123 345122542 /nfs/dbraw/zinc/12/25/42/345122542.db2.gz HWWNOGVKIGXTMT-UHFFFAOYSA-N 1 0 181.323 3.084 10 0 AGAERO CC1(C[NH2+]C2(C)CCC2)CCCC1 306233525 345127029 /nfs/dbraw/zinc/12/70/29/345127029.db2.gz DJLYJKRVRYNYGA-UHFFFAOYSA-N 1 0 181.323 3.099 10 0 AGAERO CCC(C)(C)[NH2+]C1CCC2(CC1)CC2 306236557 345129436 /nfs/dbraw/zinc/12/94/36/345129436.db2.gz HREBGOOYWLOBDH-UHFFFAOYSA-N 1 0 195.350 3.487 10 0 AGAERO CC[N@H+](C)[C@@H]1CC[C@](C)(C(C)C)C1 306237583 345130459 /nfs/dbraw/zinc/13/04/59/345130459.db2.gz QHIJDBWSXHYVFX-NEPJUHHUSA-N 1 0 183.339 3.153 10 0 AGAERO CC[N@H+](C)[C@@H]1CC[C@@](C)(C(C)C)C1 306237587 345130509 /nfs/dbraw/zinc/13/05/09/345130509.db2.gz QHIJDBWSXHYVFX-VXGBXAGGSA-N 1 0 183.339 3.153 10 0 AGAERO CC[N@H+](C)[C@H]1CC[C@](C)(C(C)C)C1 306237586 345130558 /nfs/dbraw/zinc/13/05/58/345130558.db2.gz QHIJDBWSXHYVFX-RYUDHWBXSA-N 1 0 183.339 3.153 10 0 AGAERO CC[N@H+](C)[C@H]1CC[C@@](C)(C(C)C)C1 306237585 345130564 /nfs/dbraw/zinc/13/05/64/345130564.db2.gz QHIJDBWSXHYVFX-NWDGAFQWSA-N 1 0 183.339 3.153 10 0 AGAERO CCC1(C=C2CCC([NH3+])CC2)CCC1 306240610 345133285 /nfs/dbraw/zinc/13/32/85/345133285.db2.gz KSOVXJYKDGVAKI-UHFFFAOYSA-N 1 0 193.334 3.394 10 0 AGAERO CC(C)C1CC([NH2+]C2CC(C)(C)C2)C1 306243172 345135553 /nfs/dbraw/zinc/13/55/53/345135553.db2.gz WKMHHBBOMSLYDK-UHFFFAOYSA-N 1 0 195.350 3.199 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH+]2CCCCC2)C1 306245094 345136901 /nfs/dbraw/zinc/13/69/01/345136901.db2.gz UUJLSBUZTXCMCC-VXGBXAGGSA-N 1 0 181.323 3.051 10 0 AGAERO CC[C@@H]1CC[C@H]([NH+]2CCCCC2)C1 306245074 345137183 /nfs/dbraw/zinc/13/71/83/345137183.db2.gz UUJLSBUZTXCMCC-NEPJUHHUSA-N 1 0 181.323 3.051 10 0 AGAERO CC[C@H]1CC[C@H]([NH+]2CCCCC2)C1 306245085 345137203 /nfs/dbraw/zinc/13/72/03/345137203.db2.gz UUJLSBUZTXCMCC-RYUDHWBXSA-N 1 0 181.323 3.051 10 0 AGAERO CC[C@H]1CC[C@@H]([NH+]2CCCCC2)C1 306245076 345137262 /nfs/dbraw/zinc/13/72/62/345137262.db2.gz UUJLSBUZTXCMCC-NWDGAFQWSA-N 1 0 181.323 3.051 10 0 AGAERO CC1CCC([NH3+])([C@H](C)C(C)C)CC1 306246317 345138081 /nfs/dbraw/zinc/13/80/81/345138081.db2.gz RAJPHPLKVFXILD-MOENNCHZSA-N 1 0 183.339 3.186 10 0 AGAERO CC1CCC([NH3+])([C@@H](C)C(C)C)CC1 306246316 345138304 /nfs/dbraw/zinc/13/83/04/345138304.db2.gz RAJPHPLKVFXILD-CXQJBGSLSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@@H](C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 306247817 345139061 /nfs/dbraw/zinc/13/90/61/345139061.db2.gz SRALFRXJDMJMJM-WYUUTHIRSA-N 1 0 183.339 3.042 10 0 AGAERO CC(C)[C@H](C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 306247816 345139246 /nfs/dbraw/zinc/13/92/46/345139246.db2.gz SRALFRXJDMJMJM-RHYQMDGZSA-N 1 0 183.339 3.042 10 0 AGAERO CC(C)[C@H](C)[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 306247815 345139514 /nfs/dbraw/zinc/13/95/14/345139514.db2.gz SRALFRXJDMJMJM-KXNHARMFSA-N 1 0 183.339 3.042 10 0 AGAERO CC(C)[C@@H](C)[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 306247461 345139518 /nfs/dbraw/zinc/13/95/18/345139518.db2.gz SRALFRXJDMJMJM-KKOKHZNYSA-N 1 0 183.339 3.042 10 0 AGAERO CC(C)(C)C(C)(C)[C@H]([NH3+])C1CCC1 306248280 345140281 /nfs/dbraw/zinc/14/02/81/345140281.db2.gz QCVCRFLIUWTESU-SNVBAGLBSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)(C)C(C)(C)[C@@H]([NH3+])C1CCC1 306248279 345140506 /nfs/dbraw/zinc/14/05/06/345140506.db2.gz QCVCRFLIUWTESU-JTQLQIEISA-N 1 0 183.339 3.186 10 0 AGAERO CC[N@H+](C(C)C)[C@@H]1CCC[C@@H](C)C1 306252956 345144618 /nfs/dbraw/zinc/14/46/18/345144618.db2.gz MUEXLOULUHNGQG-VXGBXAGGSA-N 1 0 183.339 3.295 10 0 AGAERO Cc1cc[nH+]c(N)c1[C@@H](C)CC(C)C 306253139 345144686 /nfs/dbraw/zinc/14/46/86/345144686.db2.gz VLMFQCHYOAFJIO-JTQLQIEISA-N 1 0 192.306 3.122 10 0 AGAERO CC[C@@H]1CCC[C@]([NH3+])(C2CCC2)C1 306253474 345144702 /nfs/dbraw/zinc/14/47/02/345144702.db2.gz NBNCRGTUGKAZCS-ZYHUDNBSSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@@H]1CCC[C@@]([NH3+])(C2CCC2)C1 306253473 345144846 /nfs/dbraw/zinc/14/48/46/345144846.db2.gz NBNCRGTUGKAZCS-PWSUYJOCSA-N 1 0 181.323 3.084 10 0 AGAERO CC[N@H+](C(C)C)[C@@H]1CCC[C@H](C)C1 306252954 345144785 /nfs/dbraw/zinc/14/47/85/345144785.db2.gz MUEXLOULUHNGQG-NWDGAFQWSA-N 1 0 183.339 3.295 10 0 AGAERO CC[N@H+](C(C)C)[C@H]1CCC[C@@H](C)C1 306252953 345144824 /nfs/dbraw/zinc/14/48/24/345144824.db2.gz MUEXLOULUHNGQG-NEPJUHHUSA-N 1 0 183.339 3.295 10 0 AGAERO CC[C@H]1CCC[C@]([NH3+])(C2CCC2)C1 306253469 345144884 /nfs/dbraw/zinc/14/48/84/345144884.db2.gz NBNCRGTUGKAZCS-CMPLNLGQSA-N 1 0 181.323 3.084 10 0 AGAERO CC[N@H+](C(C)C)[C@H]1CCC[C@H](C)C1 306252955 345144918 /nfs/dbraw/zinc/14/49/18/345144918.db2.gz MUEXLOULUHNGQG-RYUDHWBXSA-N 1 0 183.339 3.295 10 0 AGAERO Cc1cc[nH+]c(N)c1[C@H](C)CC(C)C 306253141 345144932 /nfs/dbraw/zinc/14/49/32/345144932.db2.gz VLMFQCHYOAFJIO-SNVBAGLBSA-N 1 0 192.306 3.122 10 0 AGAERO CC[C@H]1CCC[C@@]([NH3+])(C2CCC2)C1 306253471 345144969 /nfs/dbraw/zinc/14/49/69/345144969.db2.gz NBNCRGTUGKAZCS-JQWIXIFHSA-N 1 0 181.323 3.084 10 0 AGAERO [NH3+]Cc1cc(C2=CCCCC2)cs1 306253969 345145312 /nfs/dbraw/zinc/14/53/12/345145312.db2.gz NRNCHCGLDPVUJA-UHFFFAOYSA-N 1 0 193.315 3.164 10 0 AGAERO CCc1cc(C)sc1[C@H]([NH3+])C(C)C 306256378 345147487 /nfs/dbraw/zinc/14/74/87/345147487.db2.gz PPZISZNKBIEFEU-SNVBAGLBSA-N 1 0 197.347 3.275 10 0 AGAERO CCc1cc(C)sc1[C@@H]([NH3+])C(C)C 306256375 345147612 /nfs/dbraw/zinc/14/76/12/345147612.db2.gz PPZISZNKBIEFEU-JTQLQIEISA-N 1 0 197.347 3.275 10 0 AGAERO [NH3+]Cc1sccc1C1=CCCCC1 306257755 345148857 /nfs/dbraw/zinc/14/88/57/345148857.db2.gz RATDMNGPRZMQBG-UHFFFAOYSA-N 1 0 193.315 3.164 10 0 AGAERO C[NH2+]CC(C)(C)C1CCC(C)CC1 306259095 345150098 /nfs/dbraw/zinc/15/00/98/345150098.db2.gz ZIJNLIDYWVEUPG-UHFFFAOYSA-N 1 0 183.339 3.058 10 0 AGAERO C/C(=C1\CC[C@H](C)[C@H](C)C1)[C@H](C)[NH3+] 306265711 345155481 /nfs/dbraw/zinc/15/54/81/345155481.db2.gz GURNOQACLOZAAJ-XHTSPTIJSA-N 1 0 181.323 3.106 10 0 AGAERO C/C(=C1\CC[C@H](C)[C@H](C)C1)[C@@H](C)[NH3+] 306265709 345155549 /nfs/dbraw/zinc/15/55/49/345155549.db2.gz GURNOQACLOZAAJ-UGNNQZMCSA-N 1 0 181.323 3.106 10 0 AGAERO CC[C@]1(C)C[NH2+][C@H]1c1ccsc1C 306269881 345158380 /nfs/dbraw/zinc/15/83/80/345158380.db2.gz NIDWYDONUSKXNN-WDEREUQCSA-N 1 0 195.331 3.117 10 0 AGAERO CC[C@@]1(C)C[NH2+][C@H]1c1ccsc1C 306269880 345158530 /nfs/dbraw/zinc/15/85/30/345158530.db2.gz NIDWYDONUSKXNN-QWRGUYRKSA-N 1 0 195.331 3.117 10 0 AGAERO CC[C@]1(C)C[NH2+][C@@H]1c1ccsc1C 306269877 345158716 /nfs/dbraw/zinc/15/87/16/345158716.db2.gz NIDWYDONUSKXNN-GHMZBOCLSA-N 1 0 195.331 3.117 10 0 AGAERO CC[C@H]1CC[N@@H+](C2CCCC2)[C@H]1C 306273916 345161474 /nfs/dbraw/zinc/16/14/74/345161474.db2.gz ACIQUEQCOWENBZ-QWRGUYRKSA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@@H]1CC[N@@H+](C2CCCC2)[C@@H]1C 306273893 345161611 /nfs/dbraw/zinc/16/16/11/345161611.db2.gz ACIQUEQCOWENBZ-GHMZBOCLSA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@H]1CC[N@@H+](C2CCCC2)[C@@H]1C 306273904 345161783 /nfs/dbraw/zinc/16/17/83/345161783.db2.gz ACIQUEQCOWENBZ-MNOVXSKESA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@@H]1CC[N@@H+](C2CCCC2)[C@H]1C 306273928 345162135 /nfs/dbraw/zinc/16/21/35/345162135.db2.gz ACIQUEQCOWENBZ-WDEREUQCSA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@]1(C)C[NH2+][C@@H]1c1sccc1C 306283819 345168102 /nfs/dbraw/zinc/16/81/02/345168102.db2.gz PXWLPMMXRZAWBA-GHMZBOCLSA-N 1 0 195.331 3.117 10 0 AGAERO CC[C@@]1(C)C[NH2+][C@H]1c1sccc1C 306283821 345168017 /nfs/dbraw/zinc/16/80/17/345168017.db2.gz PXWLPMMXRZAWBA-QWRGUYRKSA-N 1 0 195.331 3.117 10 0 AGAERO CC[C@@]1(C)C[NH2+][C@@H]1c1sccc1C 306283820 345168169 /nfs/dbraw/zinc/16/81/69/345168169.db2.gz PXWLPMMXRZAWBA-MNOVXSKESA-N 1 0 195.331 3.117 10 0 AGAERO CC[C@]1(C)C[NH2+][C@H]1c1sccc1C 306283823 345168180 /nfs/dbraw/zinc/16/81/80/345168180.db2.gz PXWLPMMXRZAWBA-WDEREUQCSA-N 1 0 195.331 3.117 10 0 AGAERO CC[C@H]([NH3+])[C@H]1CCCC12CCCC2 306285062 345168960 /nfs/dbraw/zinc/16/89/60/345168960.db2.gz JNDJDAWRDQZVOC-MNOVXSKESA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@@H]([NH3+])[C@@H]1CCCC12CCCC2 306285064 345168987 /nfs/dbraw/zinc/16/89/87/345168987.db2.gz JNDJDAWRDQZVOC-WDEREUQCSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@H]([NH3+])[C@@H]1CCCC12CCCC2 306285063 345169136 /nfs/dbraw/zinc/16/91/36/345169136.db2.gz JNDJDAWRDQZVOC-QWRGUYRKSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@@H]([NH3+])[C@H]1CCCC12CCCC2 306285061 345169351 /nfs/dbraw/zinc/16/93/51/345169351.db2.gz JNDJDAWRDQZVOC-GHMZBOCLSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@H]1CC[C@@H]([NH+]2CCCCCC2)C1 306292301 345174026 /nfs/dbraw/zinc/17/40/26/345174026.db2.gz SENKEGSOSNXLJA-NWDGAFQWSA-N 1 0 181.323 3.051 10 0 AGAERO C[C@@H]1CC[C@@H]([NH+]2CCCCCC2)C1 306292303 345174042 /nfs/dbraw/zinc/17/40/42/345174042.db2.gz SENKEGSOSNXLJA-VXGBXAGGSA-N 1 0 181.323 3.051 10 0 AGAERO C[C@H]1CC[C@H]([NH+]2CCCCCC2)C1 306292302 345174120 /nfs/dbraw/zinc/17/41/20/345174120.db2.gz SENKEGSOSNXLJA-RYUDHWBXSA-N 1 0 181.323 3.051 10 0 AGAERO C[C@@H]1CC[C@H]([NH+]2CCCCCC2)C1 306292300 345174443 /nfs/dbraw/zinc/17/44/43/345174443.db2.gz SENKEGSOSNXLJA-NEPJUHHUSA-N 1 0 181.323 3.051 10 0 AGAERO C/C(CC(C)C)=C1\CCC[C@@H]([NH3+])C1 306295666 345176766 /nfs/dbraw/zinc/17/67/66/345176766.db2.gz KMJVKXZDDGYMNS-NLYDNYMLSA-N 1 0 181.323 3.250 10 0 AGAERO C/C(CC(C)C)=C1\CCC[C@H]([NH3+])C1 306295668 345176872 /nfs/dbraw/zinc/17/68/72/345176872.db2.gz KMJVKXZDDGYMNS-WEHUKYGOSA-N 1 0 181.323 3.250 10 0 AGAERO C[C@@H]1[C@@H]([NH2+][C@H](C)C2CCCC2)C[C@H]1C 306296401 345177257 /nfs/dbraw/zinc/17/72/57/345177257.db2.gz LMSABIRMTUFTFZ-XZUYRWCXSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)C1CCCC1 306296400 345177430 /nfs/dbraw/zinc/17/74/30/345177430.db2.gz LMSABIRMTUFTFZ-UZWSLXQKSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)(C)[NH2+][C@@H]1CCC12CCCC2 306298436 345178976 /nfs/dbraw/zinc/17/89/76/345178976.db2.gz XPUPCMNJEQMCCN-SNVBAGLBSA-N 1 0 181.323 3.097 10 0 AGAERO CC(C)(C)[NH2+][C@H]1CCC12CCCC2 306298435 345179293 /nfs/dbraw/zinc/17/92/93/345179293.db2.gz XPUPCMNJEQMCCN-JTQLQIEISA-N 1 0 181.323 3.097 10 0 AGAERO 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345431281 /nfs/dbraw/zinc/43/12/81/345431281.db2.gz HRTITILQXLGYMJ-OLZOCXBDSA-N 1 0 195.350 3.343 10 0 AGAERO C/C=C/CC1(C[NH3+])CCC(C)(C)CC1 306556937 345432312 /nfs/dbraw/zinc/43/23/12/345432312.db2.gz IUSGROBDVGAIRM-SNAWJCMRSA-N 1 0 195.350 3.498 10 0 AGAERO C[C@H]1CCC[N@@H+]1[C@H]1CCC(C)(C)C1 306559804 345435571 /nfs/dbraw/zinc/43/55/71/345435571.db2.gz QORSIMMMLDTJJX-QWRGUYRKSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@H]1CCC[N@@H+]1[C@@H]1CCC(C)(C)C1 306559805 345435613 /nfs/dbraw/zinc/43/56/13/345435613.db2.gz QORSIMMMLDTJJX-WDEREUQCSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@@H]1CCC[N@@H+]1[C@@H]1CCC(C)(C)C1 306559802 345435624 /nfs/dbraw/zinc/43/56/24/345435624.db2.gz QORSIMMMLDTJJX-GHMZBOCLSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@@H]1CCC[N@@H+]1[C@H]1CCC(C)(C)C1 306559803 345435891 /nfs/dbraw/zinc/43/58/91/345435891.db2.gz QORSIMMMLDTJJX-MNOVXSKESA-N 1 0 181.323 3.049 10 0 AGAERO C[C@@H]1CCS[C@@H](CC2CCCC2)[NH2+]1 306560530 345436616 /nfs/dbraw/zinc/43/66/16/345436616.db2.gz RRRPTXLBERXPSQ-KOLCDFICSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@H]1CCS[C@H](CC2CCCC2)[NH2+]1 306560529 345436660 /nfs/dbraw/zinc/43/66/60/345436660.db2.gz RRRPTXLBERXPSQ-GXSJLCMTSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]1CCS[C@H](CC2CCCC2)[NH2+]1 306560531 345436718 /nfs/dbraw/zinc/43/67/18/345436718.db2.gz RRRPTXLBERXPSQ-MWLCHTKSSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@H]1CCS[C@@H](CC2CCCC2)[NH2+]1 306560532 345436777 /nfs/dbraw/zinc/43/67/77/345436777.db2.gz RRRPTXLBERXPSQ-ONGXEEELSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@H]1CCC[C@H](C=C2CC[NH2+]CC2)C1 306561204 345437065 /nfs/dbraw/zinc/43/70/65/345437065.db2.gz NGXUNRPORWJCJD-AAEUAGOBSA-N 1 0 193.334 3.123 10 0 AGAERO C[C@@H]1CCC[C@@H](C=C2CC[NH2+]CC2)C1 306561205 345437114 /nfs/dbraw/zinc/43/71/14/345437114.db2.gz NGXUNRPORWJCJD-DGCLKSJQSA-N 1 0 193.334 3.123 10 0 AGAERO C[C@@H]1CCC[C@H](C=C2CC[NH2+]CC2)C1 306561207 345437241 /nfs/dbraw/zinc/43/72/41/345437241.db2.gz NGXUNRPORWJCJD-YPMHNXCESA-N 1 0 193.334 3.123 10 0 AGAERO C[C@H]1CCC[C@@H](C=C2CC[NH2+]CC2)C1 306561206 345437263 /nfs/dbraw/zinc/43/72/63/345437263.db2.gz NGXUNRPORWJCJD-WCQYABFASA-N 1 0 193.334 3.123 10 0 AGAERO CCC/C(C)=C1/CC[C@@H]2C[NH2+]C[C@H]2C1 306562267 345438047 /nfs/dbraw/zinc/43/80/47/345438047.db2.gz CGABWYAQOHLUAQ-QVDRPMGRSA-N 1 0 193.334 3.123 10 0 AGAERO CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 306562840 345438457 /nfs/dbraw/zinc/43/84/57/345438457.db2.gz CUYIGXCBNSSUOW-VIFPVBQESA-N 1 0 197.709 3.353 10 0 AGAERO CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 306562839 345438700 /nfs/dbraw/zinc/43/87/00/345438700.db2.gz CUYIGXCBNSSUOW-SECBINFHSA-N 1 0 197.709 3.353 10 0 AGAERO [NH3+][C@@]1(CC2CCCC2)CC=CCC1 306565478 345441728 /nfs/dbraw/zinc/44/17/28/345441728.db2.gz FLWRZBMCHYGDTQ-LBPRGKRZSA-N 1 0 179.307 3.004 10 0 AGAERO [NH3+][C@]1(CC2CCCC2)CC=CCC1 306565477 345441921 /nfs/dbraw/zinc/44/19/21/345441921.db2.gz FLWRZBMCHYGDTQ-GFCCVEGCSA-N 1 0 179.307 3.004 10 0 AGAERO C[C@H]1C[NH2+]CC[C@H]1CC1(C)CCCC1 306566215 345442879 /nfs/dbraw/zinc/44/28/79/345442879.db2.gz RVNXDVIFNVRIHQ-RYUDHWBXSA-N 1 0 195.350 3.202 10 0 AGAERO C[C@H]1C[NH2+]CC[C@@H]1CC1(C)CCCC1 306566212 345442927 /nfs/dbraw/zinc/44/29/27/345442927.db2.gz RVNXDVIFNVRIHQ-NWDGAFQWSA-N 1 0 195.350 3.202 10 0 AGAERO C[C@@H]1C[NH2+]CC[C@H]1CC1(C)CCCC1 306566210 345443023 /nfs/dbraw/zinc/44/30/23/345443023.db2.gz RVNXDVIFNVRIHQ-NEPJUHHUSA-N 1 0 195.350 3.202 10 0 AGAERO C[C@@H]1C[NH2+]CC[C@@H]1CC1(C)CCCC1 306566217 345443067 /nfs/dbraw/zinc/44/30/67/345443067.db2.gz RVNXDVIFNVRIHQ-VXGBXAGGSA-N 1 0 195.350 3.202 10 0 AGAERO CC(C)C(C(C)C)[C@@H]1CC[NH2+]C[C@@H]1C 306568075 345444745 /nfs/dbraw/zinc/44/47/45/345444745.db2.gz UEHRLNAPMDEXSC-NWDGAFQWSA-N 1 0 197.366 3.160 10 0 AGAERO CC(C)C(C(C)C)[C@H]1CC[NH2+]C[C@@H]1C 306568076 345444774 /nfs/dbraw/zinc/44/47/74/345444774.db2.gz UEHRLNAPMDEXSC-RYUDHWBXSA-N 1 0 197.366 3.160 10 0 AGAERO CC(C)C(C(C)C)[C@@H]1CC[NH2+]C[C@H]1C 306568077 345444871 /nfs/dbraw/zinc/44/48/71/345444871.db2.gz UEHRLNAPMDEXSC-VXGBXAGGSA-N 1 0 197.366 3.160 10 0 AGAERO CC(C)C(C(C)C)[C@H]1CC[NH2+]C[C@H]1C 306568074 345444968 /nfs/dbraw/zinc/44/49/68/345444968.db2.gz UEHRLNAPMDEXSC-NEPJUHHUSA-N 1 0 197.366 3.160 10 0 AGAERO C[C@H]1CCC[C@H]1[N@@H+]1CCCC1(C)C 306575298 345452244 /nfs/dbraw/zinc/45/22/44/345452244.db2.gz SGEQRHFUIZPDNH-WDEREUQCSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@@H]1CCC[C@@H]1[N@@H+]1CCCC1(C)C 306575296 345452481 /nfs/dbraw/zinc/45/24/81/345452481.db2.gz SGEQRHFUIZPDNH-MNOVXSKESA-N 1 0 181.323 3.049 10 0 AGAERO C[C@H]1CCC[C@@H]1[N@@H+]1CCCC1(C)C 306575297 345452544 /nfs/dbraw/zinc/45/25/44/345452544.db2.gz SGEQRHFUIZPDNH-QWRGUYRKSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@@H]1CCC[C@H]1[N@@H+]1CCCC1(C)C 306575295 345452637 /nfs/dbraw/zinc/45/26/37/345452637.db2.gz SGEQRHFUIZPDNH-GHMZBOCLSA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@@]1(CC2=CCCC2)CCC[NH2+]1 306578095 345455221 /nfs/dbraw/zinc/45/52/21/345455221.db2.gz LTVWBXHYDFIAFQ-LBPRGKRZSA-N 1 0 179.307 3.019 10 0 AGAERO CC[C@]1(CC2=CCCC2)CCC[NH2+]1 306578094 345455476 /nfs/dbraw/zinc/45/54/76/345455476.db2.gz LTVWBXHYDFIAFQ-GFCCVEGCSA-N 1 0 179.307 3.019 10 0 AGAERO CC(C)CC[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 306581219 345458184 /nfs/dbraw/zinc/45/81/84/345458184.db2.gz OLLQAENOZAWDOU-FRRDWIJNSA-N 1 0 195.350 3.058 10 0 AGAERO CC(C)CC[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 306581221 345458352 /nfs/dbraw/zinc/45/83/52/345458352.db2.gz OLLQAENOZAWDOU-JHJVBQTASA-N 1 0 195.350 3.058 10 0 AGAERO CC(C)CC[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 306581216 345458328 /nfs/dbraw/zinc/45/83/28/345458328.db2.gz OLLQAENOZAWDOU-AGIUHOORSA-N 1 0 195.350 3.058 10 0 AGAERO CC(C)CC[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 306581223 345458331 /nfs/dbraw/zinc/45/83/31/345458331.db2.gz OLLQAENOZAWDOU-UPJWGTAASA-N 1 0 195.350 3.058 10 0 AGAERO C[C@H]1CC[C@H]([NH2+]CC2=CCCC2)CC1 306582309 345459450 /nfs/dbraw/zinc/45/94/50/345459450.db2.gz PCUUMJRWCHEOJW-AULYBMBSSA-N 1 0 193.334 3.265 10 0 AGAERO CC(C)(C)C(C)(C)[C@@H]([NH3+])c1ccoc1 306582522 345459977 /nfs/dbraw/zinc/45/99/77/345459977.db2.gz DJUWJETUEBMYDP-JTQLQIEISA-N 1 0 195.306 3.352 10 0 AGAERO CC(C)(C)C(C)(C)[C@H]([NH3+])c1ccoc1 306582523 345460056 /nfs/dbraw/zinc/46/00/56/345460056.db2.gz DJUWJETUEBMYDP-SNVBAGLBSA-N 1 0 195.306 3.352 10 0 AGAERO CC(C)=CCNc1cc(C)[nH+]c(C)c1 306582524 345460133 /nfs/dbraw/zinc/46/01/33/345460133.db2.gz DKLGGUDDWFHIAN-UHFFFAOYSA-N 1 0 190.290 3.077 10 0 AGAERO CC1CCC([NH3+])(CC2CCC2)CC1 306583406 345460536 /nfs/dbraw/zinc/46/05/36/345460536.db2.gz QWAXFMMQLMKCPV-UHFFFAOYSA-N 1 0 181.323 3.084 10 0 AGAERO C1=C(C[C@@H]2CCCCC[NH2+]2)CCC1 306584332 345461495 /nfs/dbraw/zinc/46/14/95/345461495.db2.gz RPXLCMJHXYHVTR-LBPRGKRZSA-N 1 0 179.307 3.019 10 0 AGAERO C1=C(C[C@H]2CCCCC[NH2+]2)CCC1 306584331 345461538 /nfs/dbraw/zinc/46/15/38/345461538.db2.gz RPXLCMJHXYHVTR-GFCCVEGCSA-N 1 0 179.307 3.019 10 0 AGAERO [NH3+][C@H](CC1=CCCC1)c1ccsc1 306586263 345463195 /nfs/dbraw/zinc/46/31/95/345463195.db2.gz TXYOGIQNVZQUSW-LLVKDONJSA-N 1 0 193.315 3.248 10 0 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345464628 /nfs/dbraw/zinc/46/46/28/345464628.db2.gz UQKFVZYXZITUFO-WXHSDQCUSA-N 1 0 193.334 3.250 10 0 AGAERO C[C@@H]1CCC[C@H]1[C@@H]([NH3+])CC1=CCCC1 306587254 345464735 /nfs/dbraw/zinc/46/47/35/345464735.db2.gz UQKFVZYXZITUFO-RTXFEEFZSA-N 1 0 193.334 3.250 10 0 AGAERO CC1([NH2+]CC2=CCCC2)CCCCC1 306589860 345466955 /nfs/dbraw/zinc/46/69/55/345466955.db2.gz UQJWDFHNSIMAIY-UHFFFAOYSA-N 1 0 193.334 3.409 10 0 AGAERO Cc1cc([C@H]([NH3+])CC2(C)CCC2)co1 306591351 345468663 /nfs/dbraw/zinc/46/86/63/345468663.db2.gz VMHNXHXUWSIEGN-LLVKDONJSA-N 1 0 193.290 3.168 10 0 AGAERO Cc1cc([C@@H]([NH3+])CC2(C)CCC2)co1 306591352 345468712 /nfs/dbraw/zinc/46/87/12/345468712.db2.gz VMHNXHXUWSIEGN-NSHDSACASA-N 1 0 193.290 3.168 10 0 AGAERO C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@H]2CC[C@H]2C)C1 306595957 345472123 /nfs/dbraw/zinc/47/21/23/345472123.db2.gz MBQODZKXVNTSJH-FHUSYTEZSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@@H]2CC[C@@H]2C)C1 306595958 345472315 /nfs/dbraw/zinc/47/23/15/345472315.db2.gz MBQODZKXVNTSJH-OBPIAQAESA-N 1 0 195.350 3.199 10 0 AGAERO CCC1CC([NH2+]C23CCC(CC2)C3)C1 306595922 345472449 /nfs/dbraw/zinc/47/24/49/345472449.db2.gz LYALUFSWRFWPGH-UHFFFAOYSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@@H]2CC[C@H]2C)C1 306595961 345472488 /nfs/dbraw/zinc/47/24/88/345472488.db2.gz MBQODZKXVNTSJH-RXGFPQBGSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@@H]1C[NH2+][C@H](CCC2CCC2)[C@H](C)C1 306596828 345473166 /nfs/dbraw/zinc/47/31/66/345473166.db2.gz ZCORXJHKJUYHSC-DMDPSCGWSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H]1C[NH2+][C@H](CCC2CCC2)[C@@H](C)C1 306596829 345473206 /nfs/dbraw/zinc/47/32/06/345473206.db2.gz ZCORXJHKJUYHSC-GMXVVIOVSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@@H]1C[NH2+][C@@H](CCC2CCC2)[C@H](C)C1 306596831 345473453 /nfs/dbraw/zinc/47/34/53/345473453.db2.gz ZCORXJHKJUYHSC-LOWVWBTDSA-N 1 0 195.350 3.201 10 0 AGAERO [NH3+]Cc1csc(C2=CCCCC2)c1 306596939 345473537 /nfs/dbraw/zinc/47/35/37/345473537.db2.gz ZCYLCFYXROOKOV-UHFFFAOYSA-N 1 0 193.315 3.164 10 0 AGAERO C[C@@H]1C[NH2+][C@@H](CCC2CCC2)[C@@H](C)C1 306596830 345473547 /nfs/dbraw/zinc/47/35/47/345473547.db2.gz ZCORXJHKJUYHSC-GVXVVHGQSA-N 1 0 195.350 3.201 10 0 AGAERO C1CCC([C@H]2[NH2+]CC23CCCC3)CC1 306602773 345478503 /nfs/dbraw/zinc/47/85/03/345478503.db2.gz WJVCLCKGJYAEHY-GFCCVEGCSA-N 1 0 193.334 3.099 10 0 AGAERO [NH3+]CC1(CC2CC2)CCCCCC1 306608067 345482197 /nfs/dbraw/zinc/48/21/97/345482197.db2.gz VGOVZQFKLDAYEO-UHFFFAOYSA-N 1 0 181.323 3.086 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C)[C@H]1C 306610776 345484490 /nfs/dbraw/zinc/48/44/90/345484490.db2.gz FKQSGLQRQBEAJY-YYHQMBLXSA-N 1 0 195.350 3.199 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C)[C@H]1C 306610774 345484585 /nfs/dbraw/zinc/48/45/85/345484585.db2.gz FKQSGLQRQBEAJY-MLGHIDQZSA-N 1 0 195.350 3.199 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C)[C@@H]1C 306610775 345484595 /nfs/dbraw/zinc/48/45/95/345484595.db2.gz FKQSGLQRQBEAJY-VEGXAWMVSA-N 1 0 195.350 3.199 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C)[C@@H]1C 306610773 345484604 /nfs/dbraw/zinc/48/46/04/345484604.db2.gz FKQSGLQRQBEAJY-CLPYTZEMSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@@H]1CCC[C@H](C[C@H]2CC[C@@H]2C[NH3+])C1 306613266 345486731 /nfs/dbraw/zinc/48/67/31/345486731.db2.gz KLUNPQUEBLTEHS-YVECIDJPSA-N 1 0 195.350 3.188 10 0 AGAERO C[C@@H]1CCC[C@H](C[C@@H]2CC[C@@H]2C[NH3+])C1 306613263 345486760 /nfs/dbraw/zinc/48/67/60/345486760.db2.gz KLUNPQUEBLTEHS-MROQNXINSA-N 1 0 195.350 3.188 10 0 AGAERO C[C@@H]1CCC[C@H](C[C@@H]2CC[C@H]2C[NH3+])C1 306613264 345486794 /nfs/dbraw/zinc/48/67/94/345486794.db2.gz KLUNPQUEBLTEHS-VOAKCMCISA-N 1 0 195.350 3.188 10 0 AGAERO C[C@H](c1ccccc1Cl)[NH+]1CCC1 306613254 345486849 /nfs/dbraw/zinc/48/68/49/345486849.db2.gz KLNIHGJJRGBING-SECBINFHSA-N 1 0 195.693 3.107 10 0 AGAERO C[C@@H]1CCC[C@H](C[C@H]2CC[C@H]2C[NH3+])C1 306613265 345487110 /nfs/dbraw/zinc/48/71/10/345487110.db2.gz KLUNPQUEBLTEHS-XQHKEYJVSA-N 1 0 195.350 3.188 10 0 AGAERO 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BMSJNUZTPLOFPK-NEPJUHHUSA-N 1 0 197.366 3.304 10 0 AGAERO CC(C)C[C@H](C)[C@H]1CC[NH2+]CC1(C)C 306623459 345495366 /nfs/dbraw/zinc/49/53/66/345495366.db2.gz BMSJNUZTPLOFPK-NWDGAFQWSA-N 1 0 197.366 3.304 10 0 AGAERO CC(C)C[C@H](C)[C@@H]1CC[NH2+]CC1(C)C 306623462 345495447 /nfs/dbraw/zinc/49/54/47/345495447.db2.gz BMSJNUZTPLOFPK-RYUDHWBXSA-N 1 0 197.366 3.304 10 0 AGAERO C/C(=C\C1(C)CCCCC1)[C@H](C)[NH3+] 306625400 345497150 /nfs/dbraw/zinc/49/71/50/345497150.db2.gz GRRPPPVFLKLCKJ-USKTWTLRSA-N 1 0 181.323 3.250 10 0 AGAERO C/C(=C\C1(C)CCCCC1)[C@@H](C)[NH3+] 306625397 345497310 /nfs/dbraw/zinc/49/73/10/345497310.db2.gz GRRPPPVFLKLCKJ-PBQZMEPESA-N 1 0 181.323 3.250 10 0 AGAERO CCC1CCC(C2([NH3+])CCC2)CC1 306625788 345497469 /nfs/dbraw/zinc/49/74/69/345497469.db2.gz HFCGDNFLLUPWTN-UHFFFAOYSA-N 1 0 181.323 3.084 10 0 AGAERO C/C(=C/c1cc(C)cc(Cl)c1)C[NH3+] 306630432 345500902 /nfs/dbraw/zinc/50/09/02/345500902.db2.gz FGLGSTHNKJGFRL-WTKPLQERSA-N 1 0 195.693 3.010 10 0 AGAERO CC1(C[C@H]2CCC[NH2+]2)CCCCC1 306637410 345505532 /nfs/dbraw/zinc/50/55/32/345505532.db2.gz BQKIGBUANMRCGN-LLVKDONJSA-N 1 0 181.323 3.099 10 0 AGAERO Cl/C=C/C[NH2+][C@@H]1CC12CCCCC2 306644082 345512864 /nfs/dbraw/zinc/51/28/64/345512864.db2.gz YLWILLSYTRXRHP-LJJSCBMDSA-N 1 0 199.725 3.051 10 0 AGAERO Cl/C=C/C[NH2+][C@H]1CC12CCCCC2 306644083 345513022 /nfs/dbraw/zinc/51/30/22/345513022.db2.gz YLWILLSYTRXRHP-QBBOHKLWSA-N 1 0 199.725 3.051 10 0 AGAERO CC(C)C[C@H](C)[C@@H]1CCC[C@@H]([NH3+])C1 306645718 345514617 /nfs/dbraw/zinc/51/46/17/345514617.db2.gz CVPOONLHADOSMS-QJPTWQEYSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)C[C@H](C)[C@@H]1CCC[C@H]([NH3+])C1 306645759 345514911 /nfs/dbraw/zinc/51/49/11/345514911.db2.gz CVPOONLHADOSMS-TUAOUCFPSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)C[C@H](C)[C@H]1CCC[C@H]([NH3+])C1 306645743 345515133 /nfs/dbraw/zinc/51/51/33/345515133.db2.gz CVPOONLHADOSMS-SRVKXCTJSA-N 1 0 183.339 3.186 10 0 AGAERO CCc1cc(C)sc1[C@@H]([NH3+])C1CC1 306649772 345517057 /nfs/dbraw/zinc/51/70/57/345517057.db2.gz FGALLYALYVTTNA-JTQLQIEISA-N 1 0 195.331 3.029 10 0 AGAERO CCc1cc(C)sc1[C@H]([NH3+])C1CC1 306649776 345517069 /nfs/dbraw/zinc/51/70/69/345517069.db2.gz FGALLYALYVTTNA-SNVBAGLBSA-N 1 0 195.331 3.029 10 0 AGAERO CC(C)[C@@H](C)[C@@]1(C)CCCCC[NH2+]1 306651492 345518446 /nfs/dbraw/zinc/51/84/46/345518446.db2.gz FXVCBGGDONFRKC-VXGBXAGGSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)[C@H](C)[C@]1(C)CCCCC[NH2+]1 306651491 345518399 /nfs/dbraw/zinc/51/83/99/345518399.db2.gz FXVCBGGDONFRKC-RYUDHWBXSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)[C@@H](C)[C@]1(C)CCCCC[NH2+]1 306651105 345518412 /nfs/dbraw/zinc/51/84/12/345518412.db2.gz FXVCBGGDONFRKC-NEPJUHHUSA-N 1 0 183.339 3.201 10 0 AGAERO CC(C)[C@H](C)[C@@]1(C)CCCCC[NH2+]1 306651490 345518478 /nfs/dbraw/zinc/51/84/78/345518478.db2.gz FXVCBGGDONFRKC-NWDGAFQWSA-N 1 0 183.339 3.201 10 0 AGAERO [NH3+]C1(CCCF)CCCCCCC1 306658218 345524208 /nfs/dbraw/zinc/52/42/08/345524208.db2.gz IOEJKIKSBSXYQC-UHFFFAOYSA-N 1 0 187.302 3.178 10 0 AGAERO CC1CCC(CC2([NH3+])CCC2)CC1 306659382 345524523 /nfs/dbraw/zinc/52/45/23/345524523.db2.gz OVLIFZCTIORBSS-UHFFFAOYSA-N 1 0 181.323 3.084 10 0 AGAERO CC(C)=CC[C@@]1(C[NH3+])CCCC[C@@H]1C 306659962 345525227 /nfs/dbraw/zinc/52/52/27/345525227.db2.gz MDTBFROGSYTRSY-QWHCGFSZSA-N 1 0 195.350 3.498 10 0 AGAERO CC(C)=CC[C@]1(C[NH3+])CCCC[C@H]1C 306659961 345525307 /nfs/dbraw/zinc/52/53/07/345525307.db2.gz MDTBFROGSYTRSY-OLZOCXBDSA-N 1 0 195.350 3.498 10 0 AGAERO CC(C)=CC[C@]1(C[NH3+])CCCC[C@@H]1C 306659963 345525365 /nfs/dbraw/zinc/52/53/65/345525365.db2.gz MDTBFROGSYTRSY-STQMWFEESA-N 1 0 195.350 3.498 10 0 AGAERO CC(C)=CC[C@@]1(C[NH3+])CCCC[C@H]1C 306659960 345525434 /nfs/dbraw/zinc/52/54/34/345525434.db2.gz MDTBFROGSYTRSY-CHWSQXEVSA-N 1 0 195.350 3.498 10 0 AGAERO CC[C@](C)(C[NH3+])[C@H]1CCC[C@H](C)C1 306669881 345531726 /nfs/dbraw/zinc/53/17/26/345531726.db2.gz LHSLLTJCVMSQQX-SDDRHHMPSA-N 1 0 183.339 3.188 10 0 AGAERO CC1([C@H]2[NH2+]CCCS2)CCCCC1 306669990 345531751 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JKCDLCXFTHNPQZ-WDEREUQCSA-N 1 0 199.313 3.047 10 0 AGAERO C[C@@H]1CCCC[C@H]1[NH2+]CC1(F)CCC1 306707168 345560698 /nfs/dbraw/zinc/56/06/98/345560698.db2.gz JKCDLCXFTHNPQZ-GHMZBOCLSA-N 1 0 199.313 3.047 10 0 AGAERO CC[C@@H]1CCC[C@H]([N@H+](C)C2CC2)C1 306708286 345561774 /nfs/dbraw/zinc/56/17/74/345561774.db2.gz KPNHFIBJONIBSO-PWSUYJOCSA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@@H]1CCC[C@@H]([N@H+](C)C2CC2)C1 306708287 345561781 /nfs/dbraw/zinc/56/17/81/345561781.db2.gz KPNHFIBJONIBSO-ZYHUDNBSSA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@H]1CCC[C@H]([N@H+](C)C2CC2)C1 306708285 345561807 /nfs/dbraw/zinc/56/18/07/345561807.db2.gz KPNHFIBJONIBSO-JQWIXIFHSA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@H]1CCC[C@@H]([N@H+](C)C2CC2)C1 306708284 345561998 /nfs/dbraw/zinc/56/19/98/345561998.db2.gz KPNHFIBJONIBSO-CMPLNLGQSA-N 1 0 181.323 3.049 10 0 AGAERO CC[N@H+](C1CCC1)[C@@H]1CC[C@@H](C)C1 306708700 345562486 /nfs/dbraw/zinc/56/24/86/345562486.db2.gz LCRKIAVXQDIFJI-ZYHUDNBSSA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@@H](C)CNc1c(C)ccnc1C 306710730 345563926 /nfs/dbraw/zinc/56/39/26/345563926.db2.gz WOWAUVIRWAWOHZ-SECBINFHSA-N 1 0 192.306 3.156 10 0 AGAERO CC[C@H](C)CNc1c(C)ccnc1C 306710731 345563985 /nfs/dbraw/zinc/56/39/85/345563985.db2.gz WOWAUVIRWAWOHZ-VIFPVBQESA-N 1 0 192.306 3.156 10 0 AGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(C)(C)C 306716114 345568829 /nfs/dbraw/zinc/56/88/29/345568829.db2.gz FRRIQPGTBCGVFU-WHOHXGKFSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@H]12)C(C)(C)C 306716113 345568891 /nfs/dbraw/zinc/56/88/91/345568891.db2.gz FRRIQPGTBCGVFU-USZNOCQGSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(C)(C)C 306716115 345568928 /nfs/dbraw/zinc/56/89/28/345568928.db2.gz FRRIQPGTBCGVFU-WISYIIOYSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@H]12)C(C)(C)C 306716116 345569068 /nfs/dbraw/zinc/56/90/68/345569068.db2.gz FRRIQPGTBCGVFU-WYUUTHIRSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@@H]1CCCC[C@H]1[NH2+]CC=C1CCC1 306719354 345570914 /nfs/dbraw/zinc/57/09/14/345570914.db2.gz XRKGUPQQZRMWQD-DGCLKSJQSA-N 1 0 193.334 3.265 10 0 AGAERO C[C@@H]1CCCC[C@@H]1[NH2+]CC=C1CCC1 306719356 345571033 /nfs/dbraw/zinc/57/10/33/345571033.db2.gz XRKGUPQQZRMWQD-YPMHNXCESA-N 1 0 193.334 3.265 10 0 AGAERO C[C@H]1CCCC[C@@H]1[NH2+]CC=C1CCC1 306719353 345571094 /nfs/dbraw/zinc/57/10/94/345571094.db2.gz XRKGUPQQZRMWQD-AAEUAGOBSA-N 1 0 193.334 3.265 10 0 AGAERO C[C@H]1CCCC[C@H]1[NH2+]CC=C1CCC1 306719355 345571165 /nfs/dbraw/zinc/57/11/65/345571165.db2.gz XRKGUPQQZRMWQD-WCQYABFASA-N 1 0 193.334 3.265 10 0 AGAERO C[C@H]1CC[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 306720113 345571541 /nfs/dbraw/zinc/57/15/41/345571541.db2.gz MHUMKLSKLJTEAH-RXGFPQBGSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2C)CC[C@H]1C 306720112 345571589 /nfs/dbraw/zinc/57/15/89/345571589.db2.gz MHUMKLSKLJTEAH-QNWJLWSRSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C)C[C@H]1C 306720111 345571604 /nfs/dbraw/zinc/57/16/04/345571604.db2.gz MHUMKLSKLJTEAH-NJMOYASZSA-N 1 0 195.350 3.199 10 0 AGAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2C)CC[C@H]1C 306720110 345571632 /nfs/dbraw/zinc/57/16/32/345571632.db2.gz MHUMKLSKLJTEAH-NAWOPXAZSA-N 1 0 195.350 3.199 10 0 AGAERO Cc1scc([C@@H]([NH3+])C(C)C)c1C 306721242 345571919 /nfs/dbraw/zinc/57/19/19/345571919.db2.gz HTEXLPCKCKSBCK-JTQLQIEISA-N 1 0 183.320 3.021 10 0 AGAERO Cc1scc([C@H]([NH3+])C(C)C)c1C 306721243 345572108 /nfs/dbraw/zinc/57/21/08/345572108.db2.gz HTEXLPCKCKSBCK-SNVBAGLBSA-N 1 0 183.320 3.021 10 0 AGAERO CC(C)[C@@]1(CC2(C)CCC2)CCC[NH2+]1 306721333 345572190 /nfs/dbraw/zinc/57/21/90/345572190.db2.gz DQFDGOHMGFSLIH-ZDUSSCGKSA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)[C@]1(CC2(C)CCC2)CCC[NH2+]1 306721332 345572237 /nfs/dbraw/zinc/57/22/37/345572237.db2.gz DQFDGOHMGFSLIH-CYBMUJFWSA-N 1 0 195.350 3.345 10 0 AGAERO FC1(C[NH2+]C2CCCCC2)CCCC1 306722584 345573459 /nfs/dbraw/zinc/57/34/59/345573459.db2.gz FVQFSWIBQLWILG-UHFFFAOYSA-N 1 0 199.313 3.191 10 0 AGAERO C[NH2+]C[C@@]1(C(C)C)CCCC[C@H]1C 306723932 345574438 /nfs/dbraw/zinc/57/44/38/345574438.db2.gz HWOLAHVVTIIGJS-VXGBXAGGSA-N 1 0 183.339 3.058 10 0 AGAERO C[NH2+]C[C@]1(C(C)C)CCCC[C@@H]1C 306723931 345574683 /nfs/dbraw/zinc/57/46/83/345574683.db2.gz HWOLAHVVTIIGJS-RYUDHWBXSA-N 1 0 183.339 3.058 10 0 AGAERO C[NH2+]C[C@]1(C(C)C)CCCC[C@H]1C 306723929 345574825 /nfs/dbraw/zinc/57/48/25/345574825.db2.gz HWOLAHVVTIIGJS-NEPJUHHUSA-N 1 0 183.339 3.058 10 0 AGAERO C[NH2+]C[C@@]1(C(C)C)CCCC[C@@H]1C 306723930 345574839 /nfs/dbraw/zinc/57/48/39/345574839.db2.gz HWOLAHVVTIIGJS-NWDGAFQWSA-N 1 0 183.339 3.058 10 0 AGAERO CC[NH2+][C@@H](C)c1ccsc1Cl 306724349 345574875 /nfs/dbraw/zinc/57/48/75/345574875.db2.gz IOFSUSYMBXANCB-LURJTMIESA-N 1 0 189.711 3.072 10 0 AGAERO CC[NH2+][C@H](C)c1ccsc1Cl 306724350 345574900 /nfs/dbraw/zinc/57/49/00/345574900.db2.gz IOFSUSYMBXANCB-ZCFIWIBFSA-N 1 0 189.711 3.072 10 0 AGAERO CCCC(=[NH2+])N1CCCC12CCCC2 306724982 345575506 /nfs/dbraw/zinc/57/55/06/345575506.db2.gz JSJZWDXRHHTQAE-UHFFFAOYSA-N 1 0 194.322 3.172 10 0 AGAERO [NH3+]Cc1ccc(C2=CCCCCC2)o1 306736995 345583871 /nfs/dbraw/zinc/58/38/71/345583871.db2.gz YECIYDRYIQMQDV-UHFFFAOYSA-N 1 0 191.274 3.086 10 0 AGAERO Cc1ccccc1C(C)(C)[NH2+]C(C)C 306737673 345584718 /nfs/dbraw/zinc/58/47/18/345584718.db2.gz ZIGZPKONURBCHZ-UHFFFAOYSA-N 1 0 191.318 3.228 10 0 AGAERO CC(CC(C)C)=C1CCC([NH3+])CC1 306737908 345584950 /nfs/dbraw/zinc/58/49/50/345584950.db2.gz ZRVHLXCMJLNUMD-UHFFFAOYSA-N 1 0 181.323 3.250 10 0 AGAERO CC[C@H]1CS[C@H](C2(C)CCCC2)[NH2+]1 306738446 345585288 /nfs/dbraw/zinc/58/52/88/345585288.db2.gz RVRPSIUQTZHRRK-VHSXEESVSA-N 1 0 199.363 3.008 10 0 AGAERO CC[C@@H]1CS[C@H](C2(C)CCCC2)[NH2+]1 306738443 345585352 /nfs/dbraw/zinc/58/53/52/345585352.db2.gz RVRPSIUQTZHRRK-NXEZZACHSA-N 1 0 199.363 3.008 10 0 AGAERO CC[C@@H]1CS[C@@H](C2(C)CCCC2)[NH2+]1 306738448 345585407 /nfs/dbraw/zinc/58/54/07/345585407.db2.gz RVRPSIUQTZHRRK-ZJUUUORDSA-N 1 0 199.363 3.008 10 0 AGAERO CC[C@H]1CS[C@@H](C2(C)CCCC2)[NH2+]1 306738445 345585416 /nfs/dbraw/zinc/58/54/16/345585416.db2.gz RVRPSIUQTZHRRK-UWVGGRQHSA-N 1 0 199.363 3.008 10 0 AGAERO C[C@@H]([NH3+])/C=C/C1(C)CCCCCC1 306744005 345587556 /nfs/dbraw/zinc/58/75/56/345587556.db2.gz HWNWDMHAQXFNQJ-PFEDMVJOSA-N 1 0 181.323 3.250 10 0 AGAERO C[C@H]([NH3+])/C=C/C1(C)CCCCCC1 306744004 345587608 /nfs/dbraw/zinc/58/76/08/345587608.db2.gz HWNWDMHAQXFNQJ-HUYFXPKMSA-N 1 0 181.323 3.250 10 0 AGAERO CC[C@@H]([NH3+])c1csc2c1CCCC2 306744530 345587895 /nfs/dbraw/zinc/58/78/95/345587895.db2.gz YAMNKWLBYWVZCA-SNVBAGLBSA-N 1 0 195.331 3.037 10 0 AGAERO CC[C@H]([NH3+])c1csc2c1CCCC2 306744529 345588177 /nfs/dbraw/zinc/58/81/77/345588177.db2.gz YAMNKWLBYWVZCA-JTQLQIEISA-N 1 0 195.331 3.037 10 0 AGAERO C[C@@H](C1CCCC1)[NH+]1CCCCC1 306746799 345589133 /nfs/dbraw/zinc/58/91/33/345589133.db2.gz DJQNQHMVOQKEMV-NSHDSACASA-N 1 0 181.323 3.051 10 0 AGAERO C[C@H](C1CCCC1)[NH+]1CCCCC1 306746788 345589286 /nfs/dbraw/zinc/58/92/86/345589286.db2.gz DJQNQHMVOQKEMV-LLVKDONJSA-N 1 0 181.323 3.051 10 0 AGAERO [NH3+][C@@]1(C2CCCCC2)CC=CCC1 306755263 345593252 /nfs/dbraw/zinc/59/32/52/345593252.db2.gz QHRIYIBWGJHRQJ-LBPRGKRZSA-N 1 0 179.307 3.004 10 0 AGAERO [NH3+][C@]1(C2CCCCC2)CC=CCC1 306755262 345593258 /nfs/dbraw/zinc/59/32/58/345593258.db2.gz QHRIYIBWGJHRQJ-GFCCVEGCSA-N 1 0 179.307 3.004 10 0 AGAERO CC1(C[C@H]2CCCC[NH2+]2)CCCC1 306756494 345593446 /nfs/dbraw/zinc/59/34/46/345593446.db2.gz QKYWBOGZRUIXSF-LLVKDONJSA-N 1 0 181.323 3.099 10 0 AGAERO CC1(C[C@@H]2CCCC[NH2+]2)CCCC1 306756497 345593749 /nfs/dbraw/zinc/59/37/49/345593749.db2.gz QKYWBOGZRUIXSF-NSHDSACASA-N 1 0 181.323 3.099 10 0 AGAERO C[N@H+](C1CC1)[C@@H]1CCCC(C)(C)C1 306759999 345595862 /nfs/dbraw/zinc/59/58/62/345595862.db2.gz XILWGUCHOMSYET-LLVKDONJSA-N 1 0 181.323 3.049 10 0 AGAERO C[N@H+](C1CC1)[C@H]1CCCC(C)(C)C1 306760001 345596052 /nfs/dbraw/zinc/59/60/52/345596052.db2.gz XILWGUCHOMSYET-NSHDSACASA-N 1 0 181.323 3.049 10 0 AGAERO C[C@H]1CC/C(=C/CC(C)(C)C)C[NH2+]1 306767685 345602358 /nfs/dbraw/zinc/60/23/58/345602358.db2.gz CZAYIYCZOXZTBS-QBQSQJOESA-N 1 0 181.323 3.121 10 0 AGAERO CCC(CC)=C1C[C@@H]2CC[C@H](C1)[NH2+]2 306775735 345606716 /nfs/dbraw/zinc/60/67/16/345606716.db2.gz MEHMESABGLQJJO-TXEJJXNPSA-N 1 0 179.307 3.017 10 0 AGAERO C[C@@H](F)CC[NH+]1CCCCCCC1 306780191 345608781 /nfs/dbraw/zinc/60/87/81/345608781.db2.gz BUVZNJRXYCZZLU-LLVKDONJSA-N 1 0 187.302 3.001 10 0 AGAERO C[C@H](F)CC[NH+]1CCCCCCC1 306780195 345609093 /nfs/dbraw/zinc/60/90/93/345609093.db2.gz BUVZNJRXYCZZLU-NSHDSACASA-N 1 0 187.302 3.001 10 0 AGAERO CC(C)[C@@H](C)[N@H+](C)[C@H]1C=CCCC1 306784372 345611780 /nfs/dbraw/zinc/61/17/80/345611780.db2.gz HSUNCALSOXBRHI-NEPJUHHUSA-N 1 0 181.323 3.071 10 0 AGAERO CC(C)[C@H](C)[N@H+](C)[C@@H]1C=CCCC1 306784373 345611838 /nfs/dbraw/zinc/61/18/38/345611838.db2.gz HSUNCALSOXBRHI-NWDGAFQWSA-N 1 0 181.323 3.071 10 0 AGAERO CC(C)[C@@H](C)[N@H+](C)[C@@H]1C=CCCC1 306784375 345612050 /nfs/dbraw/zinc/61/20/50/345612050.db2.gz HSUNCALSOXBRHI-VXGBXAGGSA-N 1 0 181.323 3.071 10 0 AGAERO CC[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 306785718 345613012 /nfs/dbraw/zinc/61/30/12/345613012.db2.gz ODXDKIIPLSNMOZ-GHMZBOCLSA-N 1 0 195.350 3.343 10 0 AGAERO CCC1(CC)C[NH2+][C@H]1C1(C)CCCC1 306785372 345613125 /nfs/dbraw/zinc/61/31/25/345613125.db2.gz NOBKVXFYQNUFPX-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 306785719 345613182 /nfs/dbraw/zinc/61/31/82/345613182.db2.gz ODXDKIIPLSNMOZ-MNOVXSKESA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 306785721 345613332 /nfs/dbraw/zinc/61/33/32/345613332.db2.gz ODXDKIIPLSNMOZ-WDEREUQCSA-N 1 0 195.350 3.343 10 0 AGAERO CC[C@H](C1CCCC1)N1CCCC1=[NH2+] 306789963 345616230 /nfs/dbraw/zinc/61/62/30/345616230.db2.gz UOEVMRFTGFRMDG-LLVKDONJSA-N 1 0 194.322 3.028 10 0 AGAERO CC[C@@H](C1CCCC1)N1CCCC1=[NH2+] 306789964 345616250 /nfs/dbraw/zinc/61/62/50/345616250.db2.gz UOEVMRFTGFRMDG-NSHDSACASA-N 1 0 194.322 3.028 10 0 AGAERO CC1(C)CC([NH2+]C2C(C)(C)C2(C)C)C1 306789709 345616314 /nfs/dbraw/zinc/61/63/14/345616314.db2.gz UIRAEDFDEVFIEV-UHFFFAOYSA-N 1 0 195.350 3.199 10 0 AGAERO CC(C)(C)[C@H]1C[NH2+][C@H]1c1cccs1 306795568 345620277 /nfs/dbraw/zinc/62/02/77/345620277.db2.gz GQAOASMHVZWWRJ-WCBMZHEXSA-N 1 0 195.331 3.055 10 0 AGAERO CC(C)(C)[C@@H]1C[NH2+][C@@H]1c1cccs1 306795566 345620308 /nfs/dbraw/zinc/62/03/08/345620308.db2.gz GQAOASMHVZWWRJ-SCZZXKLOSA-N 1 0 195.331 3.055 10 0 AGAERO CC(C)(C)[C@H]1C[NH2+][C@@H]1c1cccs1 306795570 345620390 /nfs/dbraw/zinc/62/03/90/345620390.db2.gz GQAOASMHVZWWRJ-WPRPVWTQSA-N 1 0 195.331 3.055 10 0 AGAERO CC(C)(C)[C@@H]1C[NH2+][C@H]1c1cccs1 306795564 345620441 /nfs/dbraw/zinc/62/04/41/345620441.db2.gz GQAOASMHVZWWRJ-PSASIEDQSA-N 1 0 195.331 3.055 10 0 AGAERO CC(C)[C@H]1C[NH2+][C@H]1[C@H]1CCC[C@@H](C)C1 306796304 345620758 /nfs/dbraw/zinc/62/07/58/345620758.db2.gz HMSSBRQDMYBRSF-XQHKEYJVSA-N 1 0 195.350 3.057 10 0 AGAERO CC(C)[C@H]1C[NH2+][C@@H]1[C@H]1CCC[C@@H](C)C1 306796305 345620762 /nfs/dbraw/zinc/62/07/62/345620762.db2.gz HMSSBRQDMYBRSF-YVECIDJPSA-N 1 0 195.350 3.057 10 0 AGAERO CC(C)[C@@H]1C[NH2+][C@@H]1[C@H]1CCC[C@@H](C)C1 306796302 345621050 /nfs/dbraw/zinc/62/10/50/345621050.db2.gz HMSSBRQDMYBRSF-MROQNXINSA-N 1 0 195.350 3.057 10 0 AGAERO CC[C@H]1CC[N@@H+]1[C@@H]1CCCC1(C)C 306797661 345621348 /nfs/dbraw/zinc/62/13/48/345621348.db2.gz YSKKQOOVADLYNO-WDEREUQCSA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@H]1CC[N@@H+]1[C@H]1CCCC1(C)C 306797660 345621385 /nfs/dbraw/zinc/62/13/85/345621385.db2.gz YSKKQOOVADLYNO-QWRGUYRKSA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@@H]1CC[N@@H+]1[C@H]1CCCC1(C)C 306797659 345621507 /nfs/dbraw/zinc/62/15/07/345621507.db2.gz YSKKQOOVADLYNO-MNOVXSKESA-N 1 0 181.323 3.049 10 0 AGAERO CC[C@@H]1CC[N@@H+]1[C@@H]1CCCC1(C)C 306797576 345621655 /nfs/dbraw/zinc/62/16/55/345621655.db2.gz YSKKQOOVADLYNO-GHMZBOCLSA-N 1 0 181.323 3.049 10 0 AGAERO CCC[C@@H]1[NH2+]CC12CCCCCC2 306798957 345622663 /nfs/dbraw/zinc/62/26/63/345622663.db2.gz DPGNEEAUBYBESM-NSHDSACASA-N 1 0 181.323 3.099 10 0 AGAERO CCC[C@H]1[NH2+]CC12CCCCCC2 306798956 345622832 /nfs/dbraw/zinc/62/28/32/345622832.db2.gz DPGNEEAUBYBESM-LLVKDONJSA-N 1 0 181.323 3.099 10 0 AGAERO CC(C)(C)[C@@H]1[NH2+]C[C@H]1C1CCCCC1 306806080 345626097 /nfs/dbraw/zinc/62/60/97/345626097.db2.gz INONBJFNTLQGSF-NWDGAFQWSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)(C)[C@H]1[NH2+]C[C@@H]1C1CCCCC1 306806079 345626113 /nfs/dbraw/zinc/62/61/13/345626113.db2.gz INONBJFNTLQGSF-NEPJUHHUSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)(C)[C@@H]1[NH2+]C[C@@H]1C1CCCCC1 306806082 345626139 /nfs/dbraw/zinc/62/61/39/345626139.db2.gz INONBJFNTLQGSF-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)(C)[C@H]1[NH2+]C[C@H]1C1CCCCC1 306806081 345626202 /nfs/dbraw/zinc/62/62/02/345626202.db2.gz INONBJFNTLQGSF-RYUDHWBXSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1cc(C)cs1 306808695 345628426 /nfs/dbraw/zinc/62/84/26/345628426.db2.gz PVCCRQLPVWYLGH-SECBINFHSA-N 1 0 181.304 3.023 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1cc(C)cs1 306808696 345628688 /nfs/dbraw/zinc/62/86/88/345628688.db2.gz PVCCRQLPVWYLGH-VIFPVBQESA-N 1 0 181.304 3.023 10 0 AGAERO C[C@H]1C[NH2+]CC[C@@]1(C)CCC(C)(C)C 306818400 345633690 /nfs/dbraw/zinc/63/36/90/345633690.db2.gz FMMYOPDJVOBKJL-WCQYABFASA-N 1 0 197.366 3.448 10 0 AGAERO C[C@H]1C[NH2+]CC[C@]1(C)CCC(C)(C)C 306818397 345633739 /nfs/dbraw/zinc/63/37/39/345633739.db2.gz FMMYOPDJVOBKJL-AAEUAGOBSA-N 1 0 197.366 3.448 10 0 AGAERO C[C@@H]1C[NH2+]CC[C@@]1(C)CCC(C)(C)C 306818398 345633760 /nfs/dbraw/zinc/63/37/60/345633760.db2.gz FMMYOPDJVOBKJL-DGCLKSJQSA-N 1 0 197.366 3.448 10 0 AGAERO C[C@@H]1C[NH2+]CC[C@]1(C)CCC(C)(C)C 306818409 345633835 /nfs/dbraw/zinc/63/38/35/345633835.db2.gz FMMYOPDJVOBKJL-YPMHNXCESA-N 1 0 197.366 3.448 10 0 AGAERO CC[C@@H]1CCC[C@](C[NH3+])(C2CCC2)C1 306820324 345635389 /nfs/dbraw/zinc/63/53/89/345635389.db2.gz MTZABPFWXVBVAB-YPMHNXCESA-N 1 0 195.350 3.332 10 0 AGAERO CC[C@H]1CCC[C@@](C[NH3+])(C2CCC2)C1 306820323 345635572 /nfs/dbraw/zinc/63/55/72/345635572.db2.gz MTZABPFWXVBVAB-WCQYABFASA-N 1 0 195.350 3.332 10 0 AGAERO CC[C@@H]1CCC[C@@](C[NH3+])(C2CCC2)C1 306820321 345635686 /nfs/dbraw/zinc/63/56/86/345635686.db2.gz MTZABPFWXVBVAB-DGCLKSJQSA-N 1 0 195.350 3.332 10 0 AGAERO CC[C@H]1CCC[C@](C[NH3+])(C2CCC2)C1 306820320 345635710 /nfs/dbraw/zinc/63/57/10/345635710.db2.gz MTZABPFWXVBVAB-AAEUAGOBSA-N 1 0 195.350 3.332 10 0 AGAERO CC(C)[C@@H](C)[NH+]1CCCCCCC1 306824332 345638848 /nfs/dbraw/zinc/63/88/48/345638848.db2.gz TVOMNTLTSOCPHO-GFCCVEGCSA-N 1 0 183.339 3.297 10 0 AGAERO CC(C)[C@H](C)[NH+]1CCCCCCC1 306824333 345638982 /nfs/dbraw/zinc/63/89/82/345638982.db2.gz TVOMNTLTSOCPHO-LBPRGKRZSA-N 1 0 183.339 3.297 10 0 AGAERO CC(C)=CC[C@@]1(C[NH3+])CCC[C@@H](C)C1 306824584 345639306 /nfs/dbraw/zinc/63/93/06/345639306.db2.gz WFDQCIPBFCSHDD-OLZOCXBDSA-N 1 0 195.350 3.498 10 0 AGAERO CC(C)C(C)(C)[NH2+][C@@H]1C=CCCC1 306824961 345639313 /nfs/dbraw/zinc/63/93/13/345639313.db2.gz VXDSWTUNWJJAMA-LLVKDONJSA-N 1 0 181.323 3.119 10 0 AGAERO CC(C)[N@@H+]1C[C@H]2CCCCCC[C@H]21 306824719 345639351 /nfs/dbraw/zinc/63/93/51/345639351.db2.gz UWWZHNMLKSXZKW-VXGBXAGGSA-N 1 0 181.323 3.049 10 0 AGAERO CC(C)[N@@H+]1C[C@@H]2CCCCCC[C@H]21 306824717 345639424 /nfs/dbraw/zinc/63/94/24/345639424.db2.gz UWWZHNMLKSXZKW-NWDGAFQWSA-N 1 0 181.323 3.049 10 0 AGAERO CC(C)[N@@H+]1C[C@H]2CCCCCC[C@@H]21 306824716 345639441 /nfs/dbraw/zinc/63/94/41/345639441.db2.gz UWWZHNMLKSXZKW-NEPJUHHUSA-N 1 0 181.323 3.049 10 0 AGAERO CC(C)=CC[C@]1(C[NH3+])CCC[C@H](C)C1 306824585 345639449 /nfs/dbraw/zinc/63/94/49/345639449.db2.gz WFDQCIPBFCSHDD-QWHCGFSZSA-N 1 0 195.350 3.498 10 0 AGAERO CC(C)C(C)(C)[NH2+][C@H]1C=CCCC1 306824962 345639462 /nfs/dbraw/zinc/63/94/62/345639462.db2.gz VXDSWTUNWJJAMA-NSHDSACASA-N 1 0 181.323 3.119 10 0 AGAERO CC(C)[N@@H+]1C[C@@H]2CCCCCC[C@@H]21 306824718 345639511 /nfs/dbraw/zinc/63/95/11/345639511.db2.gz UWWZHNMLKSXZKW-RYUDHWBXSA-N 1 0 181.323 3.049 10 0 AGAERO CC(C)=CC[C@@]1(C[NH3+])CCC[C@H](C)C1 306824586 345639518 /nfs/dbraw/zinc/63/95/18/345639518.db2.gz WFDQCIPBFCSHDD-STQMWFEESA-N 1 0 195.350 3.498 10 0 AGAERO CC(C)=CC[C@]1(C[NH3+])CCC[C@@H](C)C1 306824583 345639546 /nfs/dbraw/zinc/63/95/46/345639546.db2.gz WFDQCIPBFCSHDD-CHWSQXEVSA-N 1 0 195.350 3.498 10 0 AGAERO CC1CCC([N@@H+]2CCC2(C)C)CC1 306824778 345639571 /nfs/dbraw/zinc/63/95/71/345639571.db2.gz VIAFIVLZXLFXAN-UHFFFAOYSA-N 1 0 181.323 3.049 10 0 AGAERO CC(C)[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 306826030 345640490 /nfs/dbraw/zinc/64/04/90/345640490.db2.gz YRLHOYUPEFHUDU-UTUOFQBUSA-N 1 0 183.339 3.009 10 0 AGAERO CC(C)[C@@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 306826028 345640595 /nfs/dbraw/zinc/64/05/95/345640595.db2.gz YRLHOYUPEFHUDU-IJLUTSLNSA-N 1 0 183.339 3.009 10 0 AGAERO CC(C)[C@@H](C)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 306826027 345640645 /nfs/dbraw/zinc/64/06/45/345640645.db2.gz YRLHOYUPEFHUDU-GRYCIOLGSA-N 1 0 183.339 3.009 10 0 AGAERO CC(C)[C@H](C)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 306826029 345640904 /nfs/dbraw/zinc/64/09/04/345640904.db2.gz YRLHOYUPEFHUDU-TUAOUCFPSA-N 1 0 183.339 3.009 10 0 AGAERO CC(C)[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 306840586 345649670 /nfs/dbraw/zinc/64/96/70/345649670.db2.gz ZWZMVJUGQUVGGY-GRYCIOLGSA-N 1 0 181.323 3.048 10 0 AGAERO CC(C)[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 306840587 345649735 /nfs/dbraw/zinc/64/97/35/345649735.db2.gz ZWZMVJUGQUVGGY-IJLUTSLNSA-N 1 0 181.323 3.048 10 0 AGAERO [NH3+]C1(CC(F)F)CCCCCCC1 306841114 345650187 /nfs/dbraw/zinc/65/01/87/345650187.db2.gz BMUKYXHGNXDZGL-UHFFFAOYSA-N 1 0 191.265 3.083 10 0 AGAERO CC1(C[C@H]([NH3+])c2cccs2)CCC1 306847554 345654958 /nfs/dbraw/zinc/65/49/58/345654958.db2.gz LMMRUEMCWWYWEZ-VIFPVBQESA-N 1 0 195.331 3.328 10 0 AGAERO CC1(C[C@@H]([NH3+])c2cccs2)CCC1 306847553 345655061 /nfs/dbraw/zinc/65/50/61/345655061.db2.gz LMMRUEMCWWYWEZ-SECBINFHSA-N 1 0 195.331 3.328 10 0 AGAERO C[C@]1([NH2+]C2CCCC2)CC=CCC1 306851010 345657290 /nfs/dbraw/zinc/65/72/90/345657290.db2.gz 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308486195 346306697 /nfs/dbraw/zinc/30/66/97/346306697.db2.gz NMGAFKFHQMYTIP-LZEMIWRJSA-N 1 0 193.334 3.123 10 0 AGAERO C[C@@H]1CCC[C@@H](/C=C2\CCC[NH2+]C2)C1 308486194 346306708 /nfs/dbraw/zinc/30/67/08/346306708.db2.gz NMGAFKFHQMYTIP-AJGRILASSA-N 1 0 193.334 3.123 10 0 AGAERO CCCC[N@@H+]1CCCCC[C@@H]1CC 308490603 346307379 /nfs/dbraw/zinc/30/73/79/346307379.db2.gz RBHZDKFFTSTXBR-LBPRGKRZSA-N 1 0 183.339 3.441 10 0 AGAERO CCCC[N@@H+]1CCCCC[C@H]1CC 308490602 346307486 /nfs/dbraw/zinc/30/74/86/346307486.db2.gz RBHZDKFFTSTXBR-GFCCVEGCSA-N 1 0 183.339 3.441 10 0 AGAERO CCCCC[N@@H+]1C[C@H](C)CC[C@H]1C 308495504 346308154 /nfs/dbraw/zinc/30/81/54/346308154.db2.gz TXPHXVUDTIMDER-VXGBXAGGSA-N 1 0 183.339 3.297 10 0 AGAERO CCCCC[N@@H+]1C[C@@H](C)CC[C@@H]1C 308495503 346308220 /nfs/dbraw/zinc/30/82/20/346308220.db2.gz TXPHXVUDTIMDER-RYUDHWBXSA-N 1 0 183.339 3.297 10 0 AGAERO CCCCC[N@@H+]1C[C@H](C)CC[C@@H]1C 308495501 346308458 /nfs/dbraw/zinc/30/84/58/346308458.db2.gz TXPHXVUDTIMDER-NEPJUHHUSA-N 1 0 183.339 3.297 10 0 AGAERO CC1(C)CCC(/C=C2\CC[NH2+]C2)CC1 308531938 346311378 /nfs/dbraw/zinc/31/13/78/346311378.db2.gz QTJVVCSWSBZGRX-FMIVXFBMSA-N 1 0 193.334 3.123 10 0 AGAERO C[NH2+]C/C(C)=C\C1CCC(C)(C)CC1 308554382 346312223 /nfs/dbraw/zinc/31/22/23/346312223.db2.gz YWWAILJWKPWGDO-LUAWRHEFSA-N 1 0 195.350 3.369 10 0 AGAERO C/C=C\C[NH2+][C@]1(C)CCCC[C@@H]1C 308715160 346318249 /nfs/dbraw/zinc/31/82/49/346318249.db2.gz UYAHNVXZHWOZQF-KBIXYVOKSA-N 1 0 181.323 3.121 10 0 AGAERO C/C=C\C[NH2+][C@]1(C)CCCC[C@H]1C 308715162 346318434 /nfs/dbraw/zinc/31/84/34/346318434.db2.gz UYAHNVXZHWOZQF-XLMCQVRKSA-N 1 0 181.323 3.121 10 0 AGAERO C/C=C\C[NH2+][C@H]1CCCC(C)(C)C1 379259808 346490458 /nfs/dbraw/zinc/49/04/58/346490458.db2.gz XNUUCWDPWJJPNA-WYGGZMRJSA-N 1 0 181.323 3.121 10 0 AGAERO C/C=C\C[NH2+][C@@H]1CCCC(C)(C)C1 379259807 346490579 /nfs/dbraw/zinc/49/05/79/346490579.db2.gz XNUUCWDPWJJPNA-DOGVGXBMSA-N 1 0 181.323 3.121 10 0 AGAERO C/C(=C/C1CCCCCC1)[C@H](C)[NH3+] 379300210 346491103 /nfs/dbraw/zinc/49/11/03/346491103.db2.gz ISDLWELQDHYFNU-JUDLJHIGSA-N 1 0 181.323 3.250 10 0 AGAERO [NH3+][C@@H]1CC/C(=C/CC2CCCC2)C1 379300249 346491233 /nfs/dbraw/zinc/49/12/33/346491233.db2.gz JJQOAGZFCUWXMD-HUMZTAOYSA-N 1 0 179.307 3.004 10 0 AGAERO [NH3+][C@H]1CC/C(=C/CC2CCCC2)C1 379300248 346491279 /nfs/dbraw/zinc/49/12/79/346491279.db2.gz JJQOAGZFCUWXMD-DSDFTUOUSA-N 1 0 179.307 3.004 10 0 AGAERO C/C(=C/C1CCCCCC1)[C@@H](C)[NH3+] 379300195 346491463 /nfs/dbraw/zinc/49/14/63/346491463.db2.gz ISDLWELQDHYFNU-DWOQACPDSA-N 1 0 181.323 3.250 10 0 AGAERO CC1([NH2+][C@H]2C=CCCCCC2)CC1 379301382 346491963 /nfs/dbraw/zinc/49/19/63/346491963.db2.gz ZBIRDHQGBDRBNH-NSHDSACASA-N 1 0 179.307 3.017 10 0 AGAERO CC1([NH2+][C@@H]2C=CCCCCC2)CC1 379301380 346491979 /nfs/dbraw/zinc/49/19/79/346491979.db2.gz ZBIRDHQGBDRBNH-LLVKDONJSA-N 1 0 179.307 3.017 10 0 AGAERO CCCCC[N@H+](C)C(C)(C)CC 379312917 346492654 /nfs/dbraw/zinc/49/26/54/346492654.db2.gz CQLXLKWVXOARSL-UHFFFAOYSA-N 1 0 171.328 3.297 10 0 AGAERO CCCCC[N@@H+]1CCC[C@@H]1CC 379331318 346499750 /nfs/dbraw/zinc/49/97/50/346499750.db2.gz DGFLOHVYPMCWKT-NSHDSACASA-N 1 0 169.312 3.051 10 0 AGAERO CCCCC[N@@H+]1CCC[C@H]1CC 379331316 346500143 /nfs/dbraw/zinc/50/01/43/346500143.db2.gz DGFLOHVYPMCWKT-LLVKDONJSA-N 1 0 169.312 3.051 10 0 AGAERO C[NH2+][C@@H](C)/C(C)=C\c1ccsc1C 379341984 346503682 /nfs/dbraw/zinc/50/36/82/346503682.db2.gz BALLTVXIXRNPDX-FUOZMLNRSA-N 1 0 195.331 3.068 10 0 AGAERO C[NH2+][C@H](C)/C(C)=C\c1ccsc1C 379341985 346503688 /nfs/dbraw/zinc/50/36/88/346503688.db2.gz BALLTVXIXRNPDX-UFGYOYAJSA-N 1 0 195.331 3.068 10 0 AGAERO C/C(=C1/CC[C@H](C)[C@H](C)C1)[C@@H](C)[NH3+] 379346916 346504439 /nfs/dbraw/zinc/50/44/39/346504439.db2.gz GURNOQACLOZAAJ-WQCSVZFESA-N 1 0 181.323 3.106 10 0 AGAERO C/C(=C1/CC[C@H](C)[C@H](C)C1)[C@H](C)[NH3+] 379346915 346504496 /nfs/dbraw/zinc/50/44/96/346504496.db2.gz GURNOQACLOZAAJ-DHARIXBFSA-N 1 0 181.323 3.106 10 0 AGAERO CC(C)[N@H+](CC1CCC1)C1CCC1 379381188 346510795 /nfs/dbraw/zinc/51/07/95/346510795.db2.gz CUHOHJYHONHZCA-UHFFFAOYSA-N 1 0 181.323 3.049 10 0 AGAERO CC(C)[NH2+]CC(C1CCC1)C1CCC1 379481770 346523574 /nfs/dbraw/zinc/52/35/74/346523574.db2.gz AKAFUGLZLGMKBI-UHFFFAOYSA-N 1 0 195.350 3.201 10 0 AGAERO C/C=C\C[NH2+][C@@H](C)c1cccc(F)c1 379505659 346524086 /nfs/dbraw/zinc/52/40/86/346524086.db2.gz USTSLXNIARPAMA-XOULXFPDSA-N 1 0 193.265 3.052 10 0 AGAERO C/C=C/C[NH2+]C(CCC)CCC 384858470 346539885 /nfs/dbraw/zinc/53/98/85/346539885.db2.gz MJDPXTBVWXANDU-QPJJXVBHSA-N 1 0 169.312 3.121 10 0 AGAERO C/C=C\C[NH2+][C@@H](C)c1sccc1C 384830159 346539932 /nfs/dbraw/zinc/53/99/32/346539932.db2.gz GSHIIJNVPHDFCK-LWTINBJPSA-N 1 0 195.331 3.283 10 0 AGAERO C/C=C\C[NH2+][C@H](C)c1sccc1C 384830161 346539964 /nfs/dbraw/zinc/53/99/64/346539964.db2.gz GSHIIJNVPHDFCK-UMCURTJPSA-N 1 0 195.331 3.283 10 0 AGAERO C/C=C/C[NH2+]CC1CCCCCC1 384844510 346540090 /nfs/dbraw/zinc/54/00/90/346540090.db2.gz JSWDXQXWLPXCLG-NSCUHMNNSA-N 1 0 181.323 3.123 10 0 AGAERO C/C=C\C[NH2+]C(CCC)CCC 384858469 346540209 /nfs/dbraw/zinc/54/02/09/346540209.db2.gz MJDPXTBVWXANDU-DAXSKMNVSA-N 1 0 169.312 3.121 10 0 AGAERO C/C=C/C[NH2+][C@H](C)c1sccc1C 384830160 346540285 /nfs/dbraw/zinc/54/02/85/346540285.db2.gz GSHIIJNVPHDFCK-ORAHPGNNSA-N 1 0 195.331 3.283 10 0 AGAERO C/C=C/C[NH2+][C@@H](C)c1sccc1C 384830162 346540310 /nfs/dbraw/zinc/54/03/10/346540310.db2.gz GSHIIJNVPHDFCK-YEZKRMTDSA-N 1 0 195.331 3.283 10 0 AGAERO C/C=C\C[NH2+]CC1CCCCCC1 384844508 346540374 /nfs/dbraw/zinc/54/03/74/346540374.db2.gz JSWDXQXWLPXCLG-IHWYPQMZSA-N 1 0 181.323 3.123 10 0 AGAERO C/C=C\C[NH2+][C@@H](C)c1csc(C)c1 384882792 346540665 /nfs/dbraw/zinc/54/06/65/346540665.db2.gz RHUVFQHZMYHODQ-LWTINBJPSA-N 1 0 195.331 3.283 10 0 AGAERO C/C=C/C[NH2+][C@@H](C)c1csc(C)c1 384882795 346540925 /nfs/dbraw/zinc/54/09/25/346540925.db2.gz RHUVFQHZMYHODQ-YEZKRMTDSA-N 1 0 195.331 3.283 10 0 AGAERO C/C=C/C[NH2+][C@H](C)c1csc(C)c1 384882793 346540944 /nfs/dbraw/zinc/54/09/44/346540944.db2.gz RHUVFQHZMYHODQ-ORAHPGNNSA-N 1 0 195.331 3.283 10 0 AGAERO C/C=C\C[NH2+][C@H](C)c1csc(C)c1 384882794 346540987 /nfs/dbraw/zinc/54/09/87/346540987.db2.gz RHUVFQHZMYHODQ-UMCURTJPSA-N 1 0 195.331 3.283 10 0 AGAERO C/C=C/C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 384957678 346541435 /nfs/dbraw/zinc/54/14/35/346541435.db2.gz GYERYDHXMZDKMQ-XCUNLHGCSA-N 1 0 193.334 3.121 10 0 AGAERO C/C=C/C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 384957676 346541485 /nfs/dbraw/zinc/54/14/85/346541485.db2.gz GYERYDHXMZDKMQ-OUDYMMNNSA-N 1 0 193.334 3.121 10 0 AGAERO C/C=C\C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 384964403 346541552 /nfs/dbraw/zinc/54/15/52/346541552.db2.gz HSNCTUGHFCIJAE-JLXHFUFZSA-N 1 0 193.334 3.145 10 0 AGAERO C/C=C\C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 384964405 346541579 /nfs/dbraw/zinc/54/15/79/346541579.db2.gz HSNCTUGHFCIJAE-PYIQSQQJSA-N 1 0 193.334 3.145 10 0 AGAERO C/C=C\C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 384957673 346541625 /nfs/dbraw/zinc/54/16/25/346541625.db2.gz GYERYDHXMZDKMQ-GPRRCUJPSA-N 1 0 193.334 3.121 10 0 AGAERO C/C=C/C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 384964402 346541639 /nfs/dbraw/zinc/54/16/39/346541639.db2.gz HSNCTUGHFCIJAE-FVKZJRLBSA-N 1 0 193.334 3.145 10 0 AGAERO C/C=C/C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 384964404 346541704 /nfs/dbraw/zinc/54/17/04/346541704.db2.gz HSNCTUGHFCIJAE-JQBPPHQNSA-N 1 0 193.334 3.145 10 0 AGAERO C/C=C\C[NH2+]Cc1cc(C)sc1C 384920228 346541713 /nfs/dbraw/zinc/54/17/13/346541713.db2.gz ZQRNVLZRRXBXPC-PLNGDYQASA-N 1 0 195.331 3.031 10 0 AGAERO C/C=C/C[NH2+]Cc1cc(C)sc1C 384920256 346541783 /nfs/dbraw/zinc/54/17/83/346541783.db2.gz ZQRNVLZRRXBXPC-SNAWJCMRSA-N 1 0 195.331 3.031 10 0 AGAERO C/C=C\C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 384957674 346541799 /nfs/dbraw/zinc/54/17/99/346541799.db2.gz GYERYDHXMZDKMQ-LLGAQUFESA-N 1 0 193.334 3.121 10 0 AGAERO C/C=C\C[C@]1(C[NH3+])CCCC[C@@H]1C 385115996 346542452 /nfs/dbraw/zinc/54/24/52/346542452.db2.gz DWIYFAVSCNTAIG-RRNNCXACSA-N 1 0 181.323 3.108 10 0 AGAERO C/C=C\C[NH2+][C@H]1CCCC12CCCC2 385050686 346542701 /nfs/dbraw/zinc/54/27/01/346542701.db2.gz SNQFIRYUCLZBLA-DLGQBQFBSA-N 1 0 193.334 3.265 10 0 AGAERO C/C=C\C[NH2+][C@@H]1CCCC12CCCC2 385050687 346542735 /nfs/dbraw/zinc/54/27/35/346542735.db2.gz SNQFIRYUCLZBLA-ZZKXABKFSA-N 1 0 193.334 3.265 10 0 AGAERO C/C=C\C[C@]1(C[NH3+])CCCC[C@H]1C 385115993 346542883 /nfs/dbraw/zinc/54/28/83/346542883.db2.gz DWIYFAVSCNTAIG-OPVGQWETSA-N 1 0 181.323 3.108 10 0 AGAERO C/C=C\C[NH2+][C@H](C)CCCC(C)C 388169634 346547872 /nfs/dbraw/zinc/54/78/72/346547872.db2.gz WOMHOVDSQSEAJP-FOQNGQEVSA-N 1 0 183.339 3.367 10 0 AGAERO C/C=C\C[NH2+]Cc1ccc(Cl)cc1 388158728 346547057 /nfs/dbraw/zinc/54/70/57/346547057.db2.gz GWLFNDOCNKKMMM-IHWYPQMZSA-N 1 0 195.693 3.006 10 0 AGAERO C/C=C\C[NH2+][C@@H](C)CCCC(C)C 388169633 346548040 /nfs/dbraw/zinc/54/80/40/346548040.db2.gz WOMHOVDSQSEAJP-FJOGCWAESA-N 1 0 183.339 3.367 10 0 AGAERO CCCCC[N@@H+]1CCC[C@@H](C)[C@H]1C 388262413 346549258 /nfs/dbraw/zinc/54/92/58/346549258.db2.gz DLTGQCHGYXYZOX-VXGBXAGGSA-N 1 0 183.339 3.297 10 0 AGAERO CCCCC[N@@H+]1CCC[C@H](C)[C@H]1C 388262411 346549325 /nfs/dbraw/zinc/54/93/25/346549325.db2.gz DLTGQCHGYXYZOX-NWDGAFQWSA-N 1 0 183.339 3.297 10 0 AGAERO CCCCC[N@H+](C)CC1CCCC1 388331140 346550379 /nfs/dbraw/zinc/55/03/79/346550379.db2.gz FFXYVDXBPSGVGB-UHFFFAOYSA-N 1 0 183.339 3.299 10 0 AGAERO CC[C@H]([NH2+]CC(C)(C)C)C(C)(C)C 393713786 346581776 /nfs/dbraw/zinc/58/17/76/346581776.db2.gz FTIZLXQDXZNIID-JTQLQIEISA-N 1 0 185.355 3.447 10 0 AGAERO CCC(C)(C)CC[NH+]1CCCCC1 388771266 346566508 /nfs/dbraw/zinc/56/65/08/346566508.db2.gz GUXZRPBCJGKMKQ-UHFFFAOYSA-N 1 0 183.339 3.299 10 0 AGAERO CC(C)C[NH2+][C@@H]1C=CCCCCC1 393323601 346574768 /nfs/dbraw/zinc/57/47/68/346574768.db2.gz SLJVMLVCCVIPGH-GFCCVEGCSA-N 1 0 181.323 3.121 10 0 AGAERO CC(C)C[NH2+][C@H]1C=CCCCCC1 393323603 346574807 /nfs/dbraw/zinc/57/48/07/346574807.db2.gz SLJVMLVCCVIPGH-LBPRGKRZSA-N 1 0 181.323 3.121 10 0 AGAERO C/C(=C/[C@@H]1CCC[C@H](C)C1)[C@H](C)[NH3+] 393322705 346574885 /nfs/dbraw/zinc/57/48/85/346574885.db2.gz PDLVNHGUDFMVCF-QEPFGGMVSA-N 1 0 181.323 3.106 10 0 AGAERO C/C(=C/[C@@H]1CCC[C@H](C)C1)[C@@H](C)[NH3+] 393322706 346575183 /nfs/dbraw/zinc/57/51/83/346575183.db2.gz PDLVNHGUDFMVCF-SXFFNVPCSA-N 1 0 181.323 3.106 10 0 AGAERO CCC(C)(C)[N@H+](C)CC=C(C)C 393346284 346576092 /nfs/dbraw/zinc/57/60/92/346576092.db2.gz CJAZPRLIKKUJFS-UHFFFAOYSA-N 1 0 169.312 3.073 10 0 AGAERO CC[C@@H]([NH2+]CC(C)(C)C)C(C)(C)C 393713975 346581847 /nfs/dbraw/zinc/58/18/47/346581847.db2.gz FTIZLXQDXZNIID-SNVBAGLBSA-N 1 0 185.355 3.447 10 0 AGAERO C/C(=C/C1(C)CCCCCC1)C[NH3+] 394714235 346585007 /nfs/dbraw/zinc/58/50/07/346585007.db2.gz IDRNJALCMBPWNM-LUAWRHEFSA-N 1 0 181.323 3.252 10 0 AGAERO C/C(=C/C1(C)CCCCC1)[C@@H](C)[NH3+] 394771841 346585249 /nfs/dbraw/zinc/58/52/49/346585249.db2.gz GRRPPPVFLKLCKJ-DWOQACPDSA-N 1 0 181.323 3.250 10 0 AGAERO C/C(=C/C1(C)CCCCC1)[C@H](C)[NH3+] 394771844 346585638 /nfs/dbraw/zinc/58/56/38/346585638.db2.gz GRRPPPVFLKLCKJ-JUDLJHIGSA-N 1 0 181.323 3.250 10 0 AGAERO C/C(=C/[C@@H]1CCCC[C@@H]1C)[C@@H](C)[NH3+] 394816018 346585658 /nfs/dbraw/zinc/58/56/58/346585658.db2.gz ZXVJQZJVPYTCEN-JGXXVUOWSA-N 1 0 181.323 3.106 10 0 AGAERO C/C(=C/[C@@H]1CCCC[C@@H]1C)[C@H](C)[NH3+] 394816020 346585778 /nfs/dbraw/zinc/58/57/78/346585778.db2.gz ZXVJQZJVPYTCEN-LEKBDCETSA-N 1 0 181.323 3.106 10 0 AGAERO C/C=C/C[NH2+][C@H](CC)c1ccsc1 395045848 346586061 /nfs/dbraw/zinc/58/60/61/346586061.db2.gz UXRJNDIAJKFPLD-JOAKQRRISA-N 1 0 195.331 3.365 10 0 AGAERO C/C=C/C[NH2+][C@@H](CC)c1ccsc1 395045852 346586114 /nfs/dbraw/zinc/58/61/14/346586114.db2.gz UXRJNDIAJKFPLD-TZNOJPMFSA-N 1 0 195.331 3.365 10 0 AGAERO C/C=C\C[NH2+][C@H](CC)c1ccsc1 395045853 346586155 /nfs/dbraw/zinc/58/61/55/346586155.db2.gz UXRJNDIAJKFPLD-USEMIUTHSA-N 1 0 195.331 3.365 10 0 AGAERO C/C=C\C[NH2+][C@@H](CC)CCCC 395031972 346586168 /nfs/dbraw/zinc/58/61/68/346586168.db2.gz QKVAIGJWNHPEHS-OFSNVTPPSA-N 1 0 169.312 3.121 10 0 AGAERO C/C=C\C[NH2+][C@H](CC)CCCC 395031974 346586198 /nfs/dbraw/zinc/58/61/98/346586198.db2.gz QKVAIGJWNHPEHS-UIJKISKDSA-N 1 0 169.312 3.121 10 0 AGAERO C/C=C\C[NH2+][C@@H](CC)c1ccsc1 395045850 346586247 /nfs/dbraw/zinc/58/62/47/346586247.db2.gz UXRJNDIAJKFPLD-MZBZXASESA-N 1 0 195.331 3.365 10 0 AGAERO C/C=C/C[NH2+][C@@H](CC)CCCC 395031971 346586298 /nfs/dbraw/zinc/58/62/98/346586298.db2.gz QKVAIGJWNHPEHS-BWNDKRECSA-N 1 0 169.312 3.121 10 0 AGAERO C/C=C/C[NH2+][C@H](CC)CCCC 395031970 346586382 /nfs/dbraw/zinc/58/63/82/346586382.db2.gz QKVAIGJWNHPEHS-AYLMVEPYSA-N 1 0 169.312 3.121 10 0 AGAERO C/C=C\C[NH2+]C(C1CCC1)C1CCC1 395186032 346586751 /nfs/dbraw/zinc/58/67/51/346586751.db2.gz USLPETUBFJYYSP-IHWYPQMZSA-N 1 0 193.334 3.121 10 0 AGAERO C/C=C/C[NH2+]C(C1CCC1)C1CCC1 395186033 346586762 /nfs/dbraw/zinc/58/67/62/346586762.db2.gz USLPETUBFJYYSP-NSCUHMNNSA-N 1 0 193.334 3.121 10 0 AGAERO Cl/C=C\C[NH2+][C@H]1CC12CCCCC2 395661108 346587321 /nfs/dbraw/zinc/58/73/21/346587321.db2.gz YLWILLSYTRXRHP-VAWSOJLPSA-N 1 0 199.725 3.051 10 0 AGAERO 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405302201 346663525 /nfs/dbraw/zinc/66/35/25/346663525.db2.gz UCJKDNYBIWUHRE-KYJYYZNUSA-N 1 0 181.323 3.106 10 0 AGAERO CC(C)(C)C1CCC2(CC1)CC[C@H]2[NH3+] 409442547 346708130 /nfs/dbraw/zinc/70/81/30/346708130.db2.gz WTSGXPRAFSWUSZ-QWKFWESOSA-N 1 0 195.350 3.330 10 0 AGAERO CC(C)(C)C1CCC2(CC1)CC[C@@H]2[NH3+] 409442546 346708367 /nfs/dbraw/zinc/70/83/67/346708367.db2.gz WTSGXPRAFSWUSZ-AKJDGMEZSA-N 1 0 195.350 3.330 10 0 AGAERO C[NH2+]CC(C)(C)CC1CC(C)(C)C1 575623350 346717622 /nfs/dbraw/zinc/71/76/22/346717622.db2.gz LOKOICMSCPEITO-UHFFFAOYSA-N 1 0 183.339 3.058 10 0 AGAERO CC[C@@H]1Cc2c(ccc(C)c2C)C=[NH+]1 584606172 346722766 /nfs/dbraw/zinc/72/27/66/346722766.db2.gz JMZJHFLINUAMSA-GFCCVEGCSA-N 1 0 187.286 3.057 10 0 AGAERO CC[C@@H]1Cc2cc(C)c(C)cc2C=[NH+]1 584606141 346722553 /nfs/dbraw/zinc/72/25/53/346722553.db2.gz GQVFUXIWIZNDFR-CYBMUJFWSA-N 1 0 187.286 3.057 10 0 AGAERO CC[C@H]1Cc2c(ccc(C)c2C)C=[NH+]1 584606173 346722673 /nfs/dbraw/zinc/72/26/73/346722673.db2.gz 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193.290 3.069 10 0 AGAERO C/C=C/C[NH2+][C@H](C)CCC=C(C)C 624197640 347273021 /nfs/dbraw/zinc/27/30/21/347273021.db2.gz SBTOVMOSCXIGDM-BTDICHCPSA-N 1 0 181.323 3.287 10 0 AGAERO C/C=C\C[NH2+][C@H](C1CCCC1)C1CC1 624198895 347273028 /nfs/dbraw/zinc/27/30/28/347273028.db2.gz BARZIGQKXQFMEY-XQJDBVBESA-N 1 0 193.334 3.121 10 0 AGAERO C/C=C\C[NH2+][C@@H]1CCC[C@@H]1CCCF 624199318 347273278 /nfs/dbraw/zinc/27/32/78/347273278.db2.gz LUBZKQMMOBPFCW-JDEDCZITSA-N 1 0 199.313 3.071 10 0 AGAERO C/C=C\C[NH2+][C@@H]1CCC[C@]1(C)CC 624199219 347273330 /nfs/dbraw/zinc/27/33/30/347273330.db2.gz JKLDDPSRNXPAEH-GJJFQZOLSA-N 1 0 181.323 3.121 10 0 AGAERO C/C=C/C[NH2+][C@@H]1CCC[C@H]1CCCF 624199320 347273339 /nfs/dbraw/zinc/27/33/39/347273339.db2.gz LUBZKQMMOBPFCW-LMZQTDFCSA-N 1 0 199.313 3.071 10 0 AGAERO C/C=C/C[NH2+][C@@H]1CCC[C@@H]1CCCF 624199319 347273349 /nfs/dbraw/zinc/27/33/49/347273349.db2.gz LUBZKQMMOBPFCW-JGLYPNHGSA-N 1 0 199.313 3.071 10 0 AGAERO C/C=C/C[NH2+][C@@H]1CCC[C@@]1(C)CC 624199220 347273377 /nfs/dbraw/zinc/27/33/77/347273377.db2.gz JKLDDPSRNXPAEH-WBIIUDBISA-N 1 0 181.323 3.121 10 0 AGAERO C/C=C\C[NH2+][C@@H]1CCC[C@H]1CCCF 624199321 347273427 /nfs/dbraw/zinc/27/34/27/347273427.db2.gz LUBZKQMMOBPFCW-ZZVHHRJTSA-N 1 0 199.313 3.071 10 0 AGAERO CCC[C@H](C)[NH2+]C[C@@]1(C)C[C@@H]2C[C@@H]2C1 624199237 347273433 /nfs/dbraw/zinc/27/34/33/347273433.db2.gz JVVNSPXATQLCBZ-RVMXOQNASA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@@H](C)[NH2+]C[C@@]1(C)C[C@@H]2C[C@@H]2C1 624199235 347273462 /nfs/dbraw/zinc/27/34/62/347273462.db2.gz JVVNSPXATQLCBZ-FVCCEPFGSA-N 1 0 195.350 3.201 10 0 AGAERO C/C=C\C[NH2+][C@@H]1CCC[C@@]1(C)CC 624199218 347273488 /nfs/dbraw/zinc/27/34/88/347273488.db2.gz JKLDDPSRNXPAEH-CZVUKNJHSA-N 1 0 181.323 3.121 10 0 AGAERO C/C=C/C[NH2+][C@@H]1CCC[C@]1(C)CC 624199221 347273552 /nfs/dbraw/zinc/27/35/52/347273552.db2.gz JKLDDPSRNXPAEH-XCOQAZTISA-N 1 0 181.323 3.121 10 0 AGAERO CCC(CC)[NH2+]C[C@@]1(C)C[C@@H]2C[C@@H]2C1 624199491 347273566 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SCZAQVUMARITHP-OMMCCPJFSA-N 1 0 193.290 3.123 10 0 AGAERO CC(C)[C@H](C)[NH2+]C[C@H]1CCCC12CC2 624312956 347276832 /nfs/dbraw/zinc/27/68/32/347276832.db2.gz BMTWEKFHILLFAD-NWDGAFQWSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCC12CC2 624312955 347276998 /nfs/dbraw/zinc/27/69/98/347276998.db2.gz BMTWEKFHILLFAD-NEPJUHHUSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@H](C)[NH2+]C[C@H]1CCCC12CC2 624313851 347277283 /nfs/dbraw/zinc/27/72/83/347277283.db2.gz WFWGRLCNUOQLAS-NWDGAFQWSA-N 1 0 195.350 3.345 10 0 AGAERO CCC(CC)[NH2+]C[C@H]1CCCC12CC2 624313598 347277531 /nfs/dbraw/zinc/27/75/31/347277531.db2.gz QBCPNYYSERGTNA-LLVKDONJSA-N 1 0 195.350 3.345 10 0 AGAERO CCC(CC)[NH2+]C[C@@H]1CCCC12CC2 624313599 347277715 /nfs/dbraw/zinc/27/77/15/347277715.db2.gz QBCPNYYSERGTNA-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@@H](C)[NH2+]C[C@H]1CCCC12CC2 624313853 347277746 /nfs/dbraw/zinc/27/77/46/347277746.db2.gz WFWGRLCNUOQLAS-VXGBXAGGSA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)[C@@H](C)[NH2+]C[C@H]1CCCC12CC2 624312958 347277753 /nfs/dbraw/zinc/27/77/53/347277753.db2.gz BMTWEKFHILLFAD-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)[C@H](C)[NH2+]C[C@@H]1CCCC12CC2 624312957 347277770 /nfs/dbraw/zinc/27/77/70/347277770.db2.gz BMTWEKFHILLFAD-RYUDHWBXSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@@H](C)[NH2+]C[C@@H]1CCCC12CC2 624313850 347277828 /nfs/dbraw/zinc/27/78/28/347277828.db2.gz WFWGRLCNUOQLAS-NEPJUHHUSA-N 1 0 195.350 3.345 10 0 AGAERO CCC[C@H](C)[NH2+]C[C@@H]1CCCC12CC2 624313852 347277871 /nfs/dbraw/zinc/27/78/71/347277871.db2.gz WFWGRLCNUOQLAS-RYUDHWBXSA-N 1 0 195.350 3.345 10 0 AGAERO CCC(CC)C[NH+](C1CC1)C1CC1 625840968 347293137 /nfs/dbraw/zinc/29/31/37/347293137.db2.gz GSHBVDLDTZOJKH-UHFFFAOYSA-N 1 0 181.323 3.049 10 0 AGAERO CC1(C)CC(C[NH+](C2CC2)C2CC2)C1 625842039 347293573 /nfs/dbraw/zinc/29/35/73/347293573.db2.gz NFIFCQIHTXKFEW-UHFFFAOYSA-N 1 0 193.334 3.049 10 0 AGAERO CC(C)CCC[NH+](C1CC1)C1CC1 625841407 347293752 /nfs/dbraw/zinc/29/37/52/347293752.db2.gz IASGVXXMHAOOQU-UHFFFAOYSA-N 1 0 181.323 3.049 10 0 AGAERO C[C@]12CCCC[C@H]1C[N@@H+]2CCC1CC1 626103548 347297295 /nfs/dbraw/zinc/29/72/95/347297295.db2.gz FFYLBVGYXRRPOO-STQMWFEESA-N 1 0 193.334 3.051 10 0 AGAERO CCCC[N@@H+]1C[C@@H]2CCCC[C@@]21C 626105043 347297833 /nfs/dbraw/zinc/29/78/33/347297833.db2.gz PWSIHOCJIMZGBZ-RYUDHWBXSA-N 1 0 181.323 3.051 10 0 AGAERO C[C@]12CCCC[C@H]1C[N@@H+]2CCCCF 626103843 347297852 /nfs/dbraw/zinc/29/78/52/347297852.db2.gz SPXRNYMIMPYMBY-RYUDHWBXSA-N 1 0 199.313 3.001 10 0 AGAERO CC(C)=CC[N@@H+]1CCCC2(CC1)CC2 626113568 347297918 /nfs/dbraw/zinc/29/79/18/347297918.db2.gz XDYKLFDFMNNNME-UHFFFAOYSA-N 1 0 193.334 3.219 10 0 AGAERO C1C[N@@H+](CCC2CC2)CCC2(C1)CC2 626113701 347297937 /nfs/dbraw/zinc/29/79/37/347297937.db2.gz BXVIDFJVSOZVQY-UHFFFAOYSA-N 1 0 193.334 3.053 10 0 AGAERO C[C@]12CCCC[C@H]1C[N@@H+]2CC1CCC1 626103951 347298011 /nfs/dbraw/zinc/29/80/11/347298011.db2.gz YCGUWPONLYBGGO-STQMWFEESA-N 1 0 193.334 3.051 10 0 AGAERO CC(C)=CC[N@@H+]1C[C@@H]2CCCC[C@@]21C 626103706 347298020 /nfs/dbraw/zinc/29/80/20/347298020.db2.gz MJTNWTIYCVLBQV-STQMWFEESA-N 1 0 193.334 3.217 10 0 AGAERO C1CC(C[N@@H+]2CCCC3(CC2)CC3)C1 626114235 347298611 /nfs/dbraw/zinc/29/86/11/347298611.db2.gz YEMXOPCQWNQZBC-UHFFFAOYSA-N 1 0 193.334 3.053 10 0 AGAERO C1CCC([N@@H+]2CCCC3(CC2)CC3)C1 626114905 347298676 /nfs/dbraw/zinc/29/86/76/347298676.db2.gz YKASRKAIHQBGDT-UHFFFAOYSA-N 1 0 193.334 3.195 10 0 AGAERO FCCCC[N@@H+]1CCCC2(CC1)CC2 626115226 347298824 /nfs/dbraw/zinc/29/88/24/347298824.db2.gz LINUXWDGJWBSBQ-UHFFFAOYSA-N 1 0 199.313 3.002 10 0 AGAERO CC[C@@H](C)[N@@H+]1CCCC2(CC1)CC2 626115464 347299016 /nfs/dbraw/zinc/29/90/16/347299016.db2.gz UQUPHIWEHMRCRY-LLVKDONJSA-N 1 0 181.323 3.051 10 0 AGAERO CC[C@H](C)[N@@H+]1CCCC2(CC1)CC2 626115465 347299116 /nfs/dbraw/zinc/29/91/16/347299116.db2.gz UQUPHIWEHMRCRY-NSHDSACASA-N 1 0 181.323 3.051 10 0 AGAERO C/C=C/C[C@H]1CCC[N@@H+](C(C)C)C1 626160790 347299536 /nfs/dbraw/zinc/29/95/36/347299536.db2.gz QERSNXNOJBGQGX-ITKZLYELSA-N 1 0 181.323 3.073 10 0 AGAERO C/C=C/C[C@H]1CCC[N@H+](CC2CC2)C1 626162746 347299584 /nfs/dbraw/zinc/29/95/84/347299584.db2.gz YNLNTSHPHPQBIL-JDGPPOGSSA-N 1 0 193.334 3.075 10 0 AGAERO C/C=C\C[C@@H]1CCC[N@H+](CCCF)C1 626162415 347299610 /nfs/dbraw/zinc/29/96/10/347299610.db2.gz UDXMAOJXZZFBHK-ZZKXABKFSA-N 1 0 199.313 3.024 10 0 AGAERO C/C=C\C[C@@H]1CCC[N@@H+](C(C)C)C1 626160791 347299627 /nfs/dbraw/zinc/29/96/27/347299627.db2.gz QERSNXNOJBGQGX-QMAVJUDZSA-N 1 0 181.323 3.073 10 0 AGAERO C/C=C/C[C@@H]1CCC[N@H+](CC2CC2)C1 626162747 347299672 /nfs/dbraw/zinc/29/96/72/347299672.db2.gz YNLNTSHPHPQBIL-QAVQXKDTSA-N 1 0 193.334 3.075 10 0 AGAERO C/C=C/C[C@@H]1CCC[N@H+](CCCF)C1 626162414 347299747 /nfs/dbraw/zinc/29/97/47/347299747.db2.gz UDXMAOJXZZFBHK-QAVQXKDTSA-N 1 0 199.313 3.024 10 0 AGAERO C/C=C\C[C@H]1CCC[N@H+](CCCF)C1 626162412 347299783 /nfs/dbraw/zinc/29/97/83/347299783.db2.gz UDXMAOJXZZFBHK-DLGQBQFBSA-N 1 0 199.313 3.024 10 0 AGAERO C/C=C\C[C@@H]1CCC[N@H+](CC2CC2)C1 626162748 347299806 /nfs/dbraw/zinc/29/98/06/347299806.db2.gz YNLNTSHPHPQBIL-ZZKXABKFSA-N 1 0 193.334 3.075 10 0 AGAERO C/C=C\C[C@H]1CCC[N@@H+](C(C)C)C1 626160792 347299885 /nfs/dbraw/zinc/29/98/85/347299885.db2.gz QERSNXNOJBGQGX-RXNFCKPNSA-N 1 0 181.323 3.073 10 0 AGAERO C/C=C\C[C@H]1CCC[N@H+](CC2CC2)C1 626162745 347299921 /nfs/dbraw/zinc/29/99/21/347299921.db2.gz YNLNTSHPHPQBIL-DLGQBQFBSA-N 1 0 193.334 3.075 10 0 AGAERO C/C=C/C[C@H]1CCC[N@H+](CCCF)C1 626162413 347299946 /nfs/dbraw/zinc/29/99/46/347299946.db2.gz UDXMAOJXZZFBHK-JDGPPOGSSA-N 1 0 199.313 3.024 10 0 AGAERO C/C=C/C[C@@H]1CCC[N@@H+](C(C)C)C1 626160793 347299967 /nfs/dbraw/zinc/29/99/67/347299967.db2.gz QERSNXNOJBGQGX-ZYOFXKKJSA-N 1 0 181.323 3.073 10 0 AGAERO CC[N@H+](C)C[C@H](C)c1ccc(C)cc1 628129790 347307065 /nfs/dbraw/zinc/30/70/65/347307065.db2.gz VADGUNYPNVIDOP-LBPRGKRZSA-N 1 0 191.318 3.050 10 0 AGAERO C/C=C\C[NH2+]C1CC2(CCCCC2)C1 628459956 347317993 /nfs/dbraw/zinc/31/79/93/347317993.db2.gz ADJYHESTYGRKPM-IHWYPQMZSA-N 1 0 193.334 3.265 10 0 AGAERO CCC(F)(F)C[NH2+]CCC(C)(C)C 628435596 347318051 /nfs/dbraw/zinc/31/80/51/347318051.db2.gz RYJMGUCNXOBQTO-UHFFFAOYSA-N 1 0 193.281 3.058 10 0 AGAERO C/C=C/C[NH2+]C1CC2(CCCCC2)C1 628459957 347318444 /nfs/dbraw/zinc/31/84/44/347318444.db2.gz ADJYHESTYGRKPM-NSCUHMNNSA-N 1 0 193.334 3.265 10 0 AGAERO CC1(C[N@@H+]2CCCC3(CC2)CC3)CC1 628480305 347318826 /nfs/dbraw/zinc/31/88/26/347318826.db2.gz ONVNZZHQISLYKA-UHFFFAOYSA-N 1 0 193.334 3.053 10 0 AGAERO CC(C)(F)C[NH2+]C1CCC2(CC1)CC2 631188715 347376777 /nfs/dbraw/zinc/37/67/77/347376777.db2.gz FNAYEMJTVXLGJR-UHFFFAOYSA-N 1 0 199.313 3.047 10 0 AGAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC12CC2 631194015 347377867 /nfs/dbraw/zinc/37/78/67/347377867.db2.gz UHNIKGSVSYIIRD-GRYCIOLGSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC12CC2 631194017 347377930 /nfs/dbraw/zinc/37/79/30/347377930.db2.gz UHNIKGSVSYIIRD-UTUOFQBUSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC12CC2 631194016 347378149 /nfs/dbraw/zinc/37/81/49/347378149.db2.gz UHNIKGSVSYIIRD-IJLUTSLNSA-N 1 0 193.334 3.097 10 0 AGAERO CCC(C)(C)[C@@H](C)[NH2+]CC(C)(C)F 631662176 347384526 /nfs/dbraw/zinc/38/45/26/347384526.db2.gz MGVFORWLTALIJW-SECBINFHSA-N 1 0 189.318 3.149 10 0 AGAERO CCC(C)(C)[C@H](C)[NH2+]CC(C)(C)F 631662177 347384547 /nfs/dbraw/zinc/38/45/47/347384547.db2.gz MGVFORWLTALIJW-VIFPVBQESA-N 1 0 189.318 3.149 10 0 AGAERO CC[C@H]([NH2+][C@H]1CCCC12CC2)C1CC1 631664451 347385103 /nfs/dbraw/zinc/38/51/03/347385103.db2.gz LMKMJMHYFTVAPD-RYUDHWBXSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@@H]([NH2+][C@H]1CCCC12CC2)C(C)(C)C 631665500 347384961 /nfs/dbraw/zinc/38/49/61/347384961.db2.gz RNTAVBWGGKDYLH-MNOVXSKESA-N 1 0 195.350 3.343 10 0 AGAERO CC(C)(F)C[NH2+][C@H]1CCCC12CCC2 631662773 347384983 /nfs/dbraw/zinc/38/49/83/347384983.db2.gz NTPSVBJGFBGHJK-JTQLQIEISA-N 1 0 199.313 3.047 10 0 AGAERO CC(C)(F)C[NH2+][C@H]1CCC12CCCC2 631665079 347384987 /nfs/dbraw/zinc/38/49/87/347384987.db2.gz VTGVVSCCTINULC-JTQLQIEISA-N 1 0 199.313 3.047 10 0 AGAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCCC12CC2 631664683 347385006 /nfs/dbraw/zinc/38/50/06/347385006.db2.gz MKRFGXBEBVHAFY-ZYHUDNBSSA-N 1 0 193.334 3.097 10 0 AGAERO CC(C)(F)C[NH2+][C@@H]1CCCC12CCC2 631662776 347385040 /nfs/dbraw/zinc/38/50/40/347385040.db2.gz NTPSVBJGFBGHJK-SNVBAGLBSA-N 1 0 199.313 3.047 10 0 AGAERO CC(C)(F)C[NH2+][C@@H]1CCC12CCCC2 631665080 347385043 /nfs/dbraw/zinc/38/50/43/347385043.db2.gz VTGVVSCCTINULC-SNVBAGLBSA-N 1 0 199.313 3.047 10 0 AGAERO C[C@@H]([NH2+][C@@H]1CCCC12CC2)C1CCC1 631664808 347385056 /nfs/dbraw/zinc/38/50/56/347385056.db2.gz NOOZDRHIUGEKHX-ZYHUDNBSSA-N 1 0 193.334 3.097 10 0 AGAERO CCC[C@@H](C)[NH2+][C@@H]1CCCC12CC2 631663983 347385072 /nfs/dbraw/zinc/38/50/72/347385072.db2.gz IYKCGOXKTOOBHO-GHMZBOCLSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCC12CC2 631664680 347385081 /nfs/dbraw/zinc/38/50/81/347385081.db2.gz MKRFGXBEBVHAFY-CMPLNLGQSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@H]([NH2+][C@@H]1CCCC12CC2)C1CCC1 631664805 347385099 /nfs/dbraw/zinc/38/50/99/347385099.db2.gz NOOZDRHIUGEKHX-CMPLNLGQSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@@H]([NH2+][C@@H]1CCCC12CC2)C(C)(C)C 631665499 347385120 /nfs/dbraw/zinc/38/51/20/347385120.db2.gz RNTAVBWGGKDYLH-GHMZBOCLSA-N 1 0 195.350 3.343 10 0 AGAERO CCC(CC)[NH2+][C@H]1CCCC12CC2 631666883 347385126 /nfs/dbraw/zinc/38/51/26/347385126.db2.gz ZPLITWYMTQGARQ-NSHDSACASA-N 1 0 181.323 3.097 10 0 AGAERO CCC[C@H](C)[NH2+][C@@H]1CCCC12CC2 631663988 347385129 /nfs/dbraw/zinc/38/51/29/347385129.db2.gz IYKCGOXKTOOBHO-WDEREUQCSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@H]([NH2+][C@H]1CCCC12CC2)C(C)(C)C 631665501 347385146 /nfs/dbraw/zinc/38/51/46/347385146.db2.gz RNTAVBWGGKDYLH-QWRGUYRKSA-N 1 0 195.350 3.343 10 0 AGAERO C[C@@H](CC1CC1)[NH2+][C@H]1CCCC12CC2 631664681 347385147 /nfs/dbraw/zinc/38/51/47/347385147.db2.gz MKRFGXBEBVHAFY-JQWIXIFHSA-N 1 0 193.334 3.097 10 0 AGAERO CC[C@@H]([NH2+][C@@H]1CCCC12CC2)C1CC1 631664453 347385154 /nfs/dbraw/zinc/38/51/54/347385154.db2.gz LMKMJMHYFTVAPD-VXGBXAGGSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@H]([NH2+][C@H]1CCCC12CC2)C1CCC1 631664806 347385171 /nfs/dbraw/zinc/38/51/71/347385171.db2.gz NOOZDRHIUGEKHX-JQWIXIFHSA-N 1 0 193.334 3.097 10 0 AGAERO CC[C@@H]([NH2+][C@H]1CCCC12CC2)C1CC1 631664436 347385192 /nfs/dbraw/zinc/38/51/92/347385192.db2.gz LMKMJMHYFTVAPD-NEPJUHHUSA-N 1 0 193.334 3.097 10 0 AGAERO CCC[C@@H](C)[NH2+][C@H]1CCCC12CC2 631663985 347385236 /nfs/dbraw/zinc/38/52/36/347385236.db2.gz IYKCGOXKTOOBHO-MNOVXSKESA-N 1 0 181.323 3.097 10 0 AGAERO C[C@@H]([NH2+][C@H]1CCCC12CC2)C1CCC1 631664807 347385246 /nfs/dbraw/zinc/38/52/46/347385246.db2.gz NOOZDRHIUGEKHX-PWSUYJOCSA-N 1 0 193.334 3.097 10 0 AGAERO CCC(CC)[NH2+][C@@H]1CCCC12CC2 631666882 347385249 /nfs/dbraw/zinc/38/52/49/347385249.db2.gz ZPLITWYMTQGARQ-LLVKDONJSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@H]([NH2+][C@@H]1CCCC12CC2)C(C)(C)C 631665502 347385266 /nfs/dbraw/zinc/38/52/66/347385266.db2.gz RNTAVBWGGKDYLH-WDEREUQCSA-N 1 0 195.350 3.343 10 0 AGAERO CCC[C@H](C)[NH2+][C@H]1CCCC12CC2 631663986 347385275 /nfs/dbraw/zinc/38/52/75/347385275.db2.gz IYKCGOXKTOOBHO-QWRGUYRKSA-N 1 0 181.323 3.097 10 0 AGAERO CC[C@H]([NH2+][C@@H]1CCCC12CC2)C1CC1 631664440 347385281 /nfs/dbraw/zinc/38/52/81/347385281.db2.gz LMKMJMHYFTVAPD-NWDGAFQWSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@H](CC1CC1)[NH2+][C@H]1CCCC12CC2 631664682 347385297 /nfs/dbraw/zinc/38/52/97/347385297.db2.gz MKRFGXBEBVHAFY-PWSUYJOCSA-N 1 0 193.334 3.097 10 0 AGAERO CC(C)C(C)(C)[NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1 638525713 347484819 /nfs/dbraw/zinc/48/48/19/347484819.db2.gz YYYJDMYBHZVISH-ZSBIGDGJSA-N 1 0 195.350 3.057 10 0 AGAERO CC(C)C1(C[NH2+][C@H]2CC=CCC2)CC1 638663070 347487625 /nfs/dbraw/zinc/48/76/25/347487625.db2.gz IKHGAXTXPSGEFU-LBPRGKRZSA-N 1 0 193.334 3.121 10 0 AGAERO CC(C)C1(C[NH2+][C@@H]2CC=CCC2)CC1 638663069 347487819 /nfs/dbraw/zinc/48/78/19/347487819.db2.gz IKHGAXTXPSGEFU-GFCCVEGCSA-N 1 0 193.334 3.121 10 0 AGAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CC3)CC1 641765740 347583301 /nfs/dbraw/zinc/58/33/01/347583301.db2.gz OTZXNFYAOREHMH-IJLUTSLNSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CC3)CC1 641765741 347583389 /nfs/dbraw/zinc/58/33/89/347583389.db2.gz OTZXNFYAOREHMH-UTUOFQBUSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CC3)CC1 641765739 347583593 /nfs/dbraw/zinc/58/35/93/347583593.db2.gz OTZXNFYAOREHMH-GRYCIOLGSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CC3)CC1 641765742 347583637 /nfs/dbraw/zinc/58/36/37/347583637.db2.gz OTZXNFYAOREHMH-WOPDTQHZSA-N 1 0 193.334 3.097 10 0 AGAERO CC(C)=CC[N@@H+](CCC(C)C)C1CC1 642094050 347588580 /nfs/dbraw/zinc/58/85/80/347588580.db2.gz CLRBGQRMSBDNCO-UHFFFAOYSA-N 1 0 195.350 3.463 10 0 AGAERO CC(C)=CC[N@H+](C1CC1)[C@@H](C)C1CC1 642329149 347593174 /nfs/dbraw/zinc/59/31/74/347593174.db2.gz DAULFJMNRIBPSS-NSHDSACASA-N 1 0 193.334 3.216 10 0 AGAERO CC(C)=CC[N@H+](C1CC1)[C@H](C)C1CC1 642329148 347593456 /nfs/dbraw/zinc/59/34/56/347593456.db2.gz DAULFJMNRIBPSS-LLVKDONJSA-N 1 0 193.334 3.216 10 0 AGAERO CCC[N@H+](C)Cc1ccc(C)cc1C 642619592 347596501 /nfs/dbraw/zinc/59/65/01/347596501.db2.gz DVUZBYKRURRRTA-UHFFFAOYSA-N 1 0 191.318 3.145 10 0 AGAERO C[C@@H]1C[NH2+][C@@H](c2ccccc2Cl)C1 3704327 351319233 /nfs/dbraw/zinc/31/92/33/351319233.db2.gz LMMQLWQYSSDBRR-GZMMTYOYSA-N 1 0 195.693 3.011 10 0 AGAERO C[C@@H]1C[NH2+][C@H](c2ccc(Cl)cc2)C1 3704321 351319251 /nfs/dbraw/zinc/31/92/51/351319251.db2.gz FSOXCWDOKWTCTB-KWQFWETISA-N 1 0 195.693 3.011 10 0 AGAERO C[C@@H]1C[NH2+][C@@H](c2ccc(Cl)cc2)C1 3704323 351319313 /nfs/dbraw/zinc/31/93/13/351319313.db2.gz FSOXCWDOKWTCTB-GZMMTYOYSA-N 1 0 195.693 3.011 10 0 AGAERO C[C@@H]1C[NH2+][C@H](c2cccc(Cl)c2)C1 3704305 351319373 /nfs/dbraw/zinc/31/93/73/351319373.db2.gz PLXAFTADMZMLLN-KWQFWETISA-N 1 0 195.693 3.011 10 0 AGAERO C[C@@H]1CCC[C@@]([NH3+])(c2ccccc2)C1 3798893 351320864 /nfs/dbraw/zinc/32/08/64/351320864.db2.gz PEKJOQVJCNMUBH-YPMHNXCESA-N 1 0 189.302 3.051 10 0 AGAERO c1cc(NCC2CCCCC2)cc[nH+]1 8699355 351357272 /nfs/dbraw/zinc/35/72/72/351357272.db2.gz BTLSKHSBWTYZKA-UHFFFAOYSA-N 1 0 190.290 3.074 10 0 AGAERO CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C 21505882 351407232 /nfs/dbraw/zinc/40/72/32/351407232.db2.gz CMHJODCOLJHWPV-GRYCIOLGSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H](C)C[NH2+][C@H]1CCCC[C@@H]1C 21505886 351407763 /nfs/dbraw/zinc/40/77/63/351407763.db2.gz CMHJODCOLJHWPV-WOPDTQHZSA-N 1 0 183.339 3.201 10 0 AGAERO C[C@@H]1CCC[C@]([NH3+])(c2ccccc2)C1 28966162 351422498 /nfs/dbraw/zinc/42/24/98/351422498.db2.gz PEKJOQVJCNMUBH-DGCLKSJQSA-N 1 0 189.302 3.051 10 0 AGAERO CCC(C)(C)[N@H+](C)Cc1ccccc1 34450209 351440766 /nfs/dbraw/zinc/44/07/66/351440766.db2.gz HYMGRBGHGGIAJA-UHFFFAOYSA-N 1 0 191.318 3.307 10 0 AGAERO CC(C)([NH3+])Cc1cccc2ccccc12 34540370 351442633 /nfs/dbraw/zinc/44/26/33/351442633.db2.gz NBMGLOFEXFAHNC-UHFFFAOYSA-N 1 0 199.297 3.120 10 0 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/nfs/dbraw/zinc/46/56/28/351465628.db2.gz BQTAYAZWDBPPOY-ZYHUDNBSSA-N 1 0 190.290 3.072 10 0 AGAERO C[C@@H]1CCC[C@H](Nc2cc[nH+]cc2)C1 37255990 351465861 /nfs/dbraw/zinc/46/58/61/351465861.db2.gz BQTAYAZWDBPPOY-PWSUYJOCSA-N 1 0 190.290 3.072 10 0 AGAERO CC(C)C[C@@](C)([NH3+])c1ccccc1F 37379727 351466442 /nfs/dbraw/zinc/46/64/42/351466442.db2.gz YMDPHCWHNMYTGH-GFCCVEGCSA-N 1 0 195.281 3.046 10 0 AGAERO C[C@@H]1CCCC[C@]1([NH3+])C1CCCC1 37376920 351466571 /nfs/dbraw/zinc/46/65/71/351466571.db2.gz RIKUNPBUNMXXIR-ZYHUDNBSSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@@H]1CCCC[C@@]1([NH3+])C1CCCC1 37376926 351466628 /nfs/dbraw/zinc/46/66/28/351466628.db2.gz RIKUNPBUNMXXIR-PWSUYJOCSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@@H]1CCC[C@@]([NH3+])(C2CCCC2)C1 37376364 351466760 /nfs/dbraw/zinc/46/67/60/351466760.db2.gz HESKKKBZPPFUQU-PWSUYJOCSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@@H]1CCC[C@]([NH3+])(C2CCCC2)C1 37376359 351466860 /nfs/dbraw/zinc/46/68/60/351466860.db2.gz HESKKKBZPPFUQU-ZYHUDNBSSA-N 1 0 181.323 3.084 10 0 AGAERO CC(C)C[C@](C)([NH3+])c1ccccc1F 37379724 351466991 /nfs/dbraw/zinc/46/69/91/351466991.db2.gz YMDPHCWHNMYTGH-LBPRGKRZSA-N 1 0 195.281 3.046 10 0 AGAERO CC(C)CC1([NH3+])CCCCCC1 37376637 351467074 /nfs/dbraw/zinc/46/70/74/351467074.db2.gz RJCKXKIINDUJFE-UHFFFAOYSA-N 1 0 169.312 3.084 10 0 AGAERO CC[NH2+][C@@H](c1cccc(C)c1)C(C)C 37468325 351469064 /nfs/dbraw/zinc/46/90/64/351469064.db2.gz DYEATCJAHJNFAB-CYBMUJFWSA-N 1 0 191.318 3.302 10 0 AGAERO CC[C@@H](C)[C@@](C)([NH3+])c1ccccc1C 37745770 351472717 /nfs/dbraw/zinc/47/27/17/351472717.db2.gz HAWBMEKLLCZMOA-DGCLKSJQSA-N 1 0 191.318 3.215 10 0 AGAERO CC[C@@H](C)[C@](C)([NH3+])c1cccc(F)c1 37745776 351472759 /nfs/dbraw/zinc/47/27/59/351472759.db2.gz NWEPWTAXYAWQAU-SKDRFNHKSA-N 1 0 195.281 3.046 10 0 AGAERO CC[C@@H](C)[C@@](C)([NH3+])c1ccc(F)cc1 37745774 351472828 /nfs/dbraw/zinc/47/28/28/351472828.db2.gz IEDIVCMRMWKOAO-BXKDBHETSA-N 1 0 195.281 3.046 10 0 AGAERO CC[C@@H](C)[C@](C)([NH3+])c1cccc(C)c1 37745764 351472839 /nfs/dbraw/zinc/47/28/39/351472839.db2.gz RVTSQWAFPHIYOU-YPMHNXCESA-N 1 0 191.318 3.215 10 0 AGAERO CC[C@@H](C)[C@@](C)([NH3+])c1cccc(C)c1 37745766 351472854 /nfs/dbraw/zinc/47/28/54/351472854.db2.gz RVTSQWAFPHIYOU-DGCLKSJQSA-N 1 0 191.318 3.215 10 0 AGAERO CC[C@@H](C)[C@@](C)([NH3+])c1cccc(F)c1 37745778 351472865 /nfs/dbraw/zinc/47/28/65/351472865.db2.gz NWEPWTAXYAWQAU-BXKDBHETSA-N 1 0 195.281 3.046 10 0 AGAERO CC[C@@H](C)[C@](C)([NH3+])c1ccc(C)cc1 37745760 351473056 /nfs/dbraw/zinc/47/30/56/351473056.db2.gz UCPDIFGJQLFHFJ-YPMHNXCESA-N 1 0 191.318 3.215 10 0 AGAERO CC[C@@H](C)[C@@](C)([NH3+])c1ccc(C)cc1 37745762 351473156 /nfs/dbraw/zinc/47/31/56/351473156.db2.gz UCPDIFGJQLFHFJ-DGCLKSJQSA-N 1 0 191.318 3.215 10 0 AGAERO CC[C@@H](C)[C@](C)([NH3+])c1ccc(F)cc1 37745772 351473175 /nfs/dbraw/zinc/47/31/75/351473175.db2.gz IEDIVCMRMWKOAO-SKDRFNHKSA-N 1 0 195.281 3.046 10 0 AGAERO c1cc(NCCC2CCCC2)cc[nH+]1 37741482 351473197 /nfs/dbraw/zinc/47/31/97/351473197.db2.gz XWTLIYVHBQZDAL-UHFFFAOYSA-N 1 0 190.290 3.074 10 0 AGAERO CC[C@@]([NH3+])(c1ccc(C)cc1)C(C)C 37755362 351473794 /nfs/dbraw/zinc/47/37/94/351473794.db2.gz XSAQHFFBJLPIRB-ZDUSSCGKSA-N 1 0 191.318 3.215 10 0 AGAERO CC[C@]([NH3+])(c1cccc(C)c1)C(C)C 37755357 351473888 /nfs/dbraw/zinc/47/38/88/351473888.db2.gz PHSKSGIADBCUSL-CYBMUJFWSA-N 1 0 191.318 3.215 10 0 AGAERO CC[C@@]([NH3+])(c1cccc(C)c1)C(C)C 37755356 351474095 /nfs/dbraw/zinc/47/40/95/351474095.db2.gz PHSKSGIADBCUSL-ZDUSSCGKSA-N 1 0 191.318 3.215 10 0 AGAERO CC[C@]([NH3+])(c1ccc(C)cc1)C(C)C 37755363 351474252 /nfs/dbraw/zinc/47/42/52/351474252.db2.gz XSAQHFFBJLPIRB-CYBMUJFWSA-N 1 0 191.318 3.215 10 0 AGAERO CC(C)C1=C[NH+]=CC[C@H]1C(C)C 39104005 351491115 /nfs/dbraw/zinc/49/11/15/351491115.db2.gz ULAFLODFFHAHCX-JTQLQIEISA-N 1 0 165.280 3.273 10 0 AGAERO c1ccc2c(c1)CC[NH+]=C2C1CCCC1 39112694 351491144 /nfs/dbraw/zinc/49/11/44/351491144.db2.gz WBHJIHCXQGJVOQ-UHFFFAOYSA-N 1 0 199.297 3.222 10 0 AGAERO CC[C@@H](C1CCCC1)[NH+]1CCCCC1 39112477 351491245 /nfs/dbraw/zinc/49/12/45/351491245.db2.gz BGPFEATWVLDMKJ-ZDUSSCGKSA-N 1 0 195.350 3.441 10 0 AGAERO CC[C@@H](C)[C@H]([NH3+])c1sccc1C 42729001 351523940 /nfs/dbraw/zinc/52/39/40/351523940.db2.gz LDTBDSUDLDZWTF-APPZFPTMSA-N 1 0 183.320 3.102 10 0 AGAERO C[C@@H]1C[C@@H]1Nc1cc[nH+]c2ccccc12 52290687 351566537 /nfs/dbraw/zinc/56/65/37/351566537.db2.gz NBXOYBVSXOZKRZ-RNCFNFMXSA-N 1 0 198.269 3.055 10 0 AGAERO C[C@@H]1C[C@H]1Nc1cc[nH+]c2ccccc12 52290693 351567132 /nfs/dbraw/zinc/56/71/32/351567132.db2.gz NBXOYBVSXOZKRZ-NOZJJQNGSA-N 1 0 198.269 3.055 10 0 AGAERO CC1(C[NH3+])CCC(C(C)(C)C)CC1 54636228 351574679 /nfs/dbraw/zinc/57/46/79/351574679.db2.gz MMZOGLDZXDDAHS-UHFFFAOYSA-N 1 0 183.339 3.188 10 0 AGAERO CCSc1ccc([C@@H]([NH3+])CC)cc1 71453245 351610522 /nfs/dbraw/zinc/61/05/22/351610522.db2.gz FAJDHNGQONWANB-NSHDSACASA-N 1 0 195.331 3.208 10 0 AGAERO C[C@@H]1CC[NH2+][C@@H](c2ccccc2)CC1 77293118 351626116 /nfs/dbraw/zinc/62/61/16/351626116.db2.gz WTIMXWQOYGARNM-WCQYABFASA-N 1 0 189.302 3.137 10 0 in-vitro AGAERO C[C@@H]1CC[NH2+][C@H](c2ccccc2)CC1 77293123 351626539 /nfs/dbraw/zinc/62/65/39/351626539.db2.gz WTIMXWQOYGARNM-AAEUAGOBSA-N 1 0 189.302 3.137 10 0 in-vitro AGAERO CC(C)C[NH2+]C1C[C@@H](C)C[C@@H](C)C1 82829352 351641232 /nfs/dbraw/zinc/64/12/32/351641232.db2.gz XXUMJRODVCJCMQ-FOSCPWQOSA-N 1 0 183.339 3.057 10 0 AGAERO CC[PH+](CC)C(C)(C)C 83304786 351644684 /nfs/dbraw/zinc/64/46/84/351644684.db2.gz FTXVBUWNYOLMMQ-UHFFFAOYSA-N 1 0 146.214 3.307 10 0 AGAERO c1ccc(-c2[nH+]ccc3[nH]ccc23)cc1 89220524 351664023 /nfs/dbraw/zinc/66/40/23/351664023.db2.gz ZVELGMGWGDCRAF-UHFFFAOYSA-N 1 0 194.237 3.230 10 0 AGAERO C#[N+]c1ccccc1C(F)(F)F 95698052 351671879 /nfs/dbraw/zinc/67/18/79/351671879.db2.gz NLYWGZABHMGXNS-UHFFFAOYSA-N 1 0 171.121 3.256 10 0 AGAERO C#[N+]c1ccc(C)c(Br)c1 104395887 351713000 /nfs/dbraw/zinc/71/30/00/351713000.db2.gz OHPXTWANYPNBGW-UHFFFAOYSA-N 1 0 196.047 3.308 10 0 AGAERO C1=C([NH+]2CCCCC2)C2CCC1CC2 196506036 351776621 /nfs/dbraw/zinc/77/66/21/351776621.db2.gz PIPXYXQAZPTQBC-UHFFFAOYSA-N 1 0 191.318 3.176 10 0 AGAERO CC(C)[N@@H+]1CCC2(CCCCC2)C1 201492549 351781581 /nfs/dbraw/zinc/78/15/81/351781581.db2.gz NZGNOXFKMGOWDP-UHFFFAOYSA-N 1 0 181.323 3.051 10 0 AGAERO C/C=C/C[NH2+]Cc1cccc(Cl)c1 220103168 351791789 /nfs/dbraw/zinc/79/17/89/351791789.db2.gz QYVGZDUUFDJGGF-NSCUHMNNSA-N 1 0 195.693 3.006 10 0 AGAERO C/C=C/C[NH2+]Cc1ccc(Cl)cc1 220101620 351791817 /nfs/dbraw/zinc/79/18/17/351791817.db2.gz GWLFNDOCNKKMMM-NSCUHMNNSA-N 1 0 195.693 3.006 10 0 AGAERO C/C=C/C[NH2+][C@H](C)c1ccccc1F 220099161 351791891 /nfs/dbraw/zinc/79/18/91/351791891.db2.gz ZBEGLBUAHMBNFG-HMDXOVGESA-N 1 0 193.265 3.052 10 0 AGAERO CC[Si](CC)(CC)[NH+]1CCCC1 220078853 351791951 /nfs/dbraw/zinc/79/19/51/351791951.db2.gz ALHOGUGJRCJRQC-UHFFFAOYSA-N 1 0 185.387 3.087 10 0 AGAERO C/C=C/C[NH2+]Cc1ccccc1Cl 220103002 351791954 /nfs/dbraw/zinc/79/19/54/351791954.db2.gz BEHPYYXWHZGVKK-NSCUHMNNSA-N 1 0 195.693 3.006 10 0 AGAERO C/C=C/C[NH2+][C@H](C)CCCC(C)C 220102802 351791964 /nfs/dbraw/zinc/79/19/64/351791964.db2.gz WOMHOVDSQSEAJP-BTDICHCPSA-N 1 0 183.339 3.367 10 0 AGAERO C/C=C/C[NH2+][C@@H](C)CCCC(C)C 220102735 351791967 /nfs/dbraw/zinc/79/19/67/351791967.db2.gz WOMHOVDSQSEAJP-FYJFLYSWSA-N 1 0 183.339 3.367 10 0 AGAERO C/C=C/C[NH2+][C@H](C)c1cccc(F)c1 220099618 351792000 /nfs/dbraw/zinc/79/20/00/351792000.db2.gz USTSLXNIARPAMA-HMDXOVGESA-N 1 0 193.265 3.052 10 0 AGAERO C/C=C/C[NH2+][C@@H](C)c1cccc(F)c1 220099557 351792051 /nfs/dbraw/zinc/79/20/51/351792051.db2.gz USTSLXNIARPAMA-FSIBCCDJSA-N 1 0 193.265 3.052 10 0 AGAERO C/C=C/C[NH2+][C@@H](C)c1ccccc1F 220099080 351792054 /nfs/dbraw/zinc/79/20/54/351792054.db2.gz ZBEGLBUAHMBNFG-FSIBCCDJSA-N 1 0 193.265 3.052 10 0 AGAERO CC(C)=CCC[NH2+]Cc1ccccc1 238146098 351818457 /nfs/dbraw/zinc/81/84/57/351818457.db2.gz HNSYDVUMSRXSIO-UHFFFAOYSA-N 1 0 189.302 3.133 10 0 AGAERO CC(C)([NH3+])[C@@H](F)C1CCCCCC1 257818322 351851102 /nfs/dbraw/zinc/85/11/02/351851102.db2.gz FCXBZUUGJGESDO-JTQLQIEISA-N 1 0 187.302 3.032 10 0 AGAERO CC(C)c1ccccc1C(C)(C)C[NH3+] 257816433 351850730 /nfs/dbraw/zinc/85/07/30/351850730.db2.gz BPNGUIWTRSPRHV-UHFFFAOYSA-N 1 0 191.318 3.046 10 0 AGAERO CC(C)([NH3+])[C@H](F)C1CCCCCC1 257818323 351851041 /nfs/dbraw/zinc/85/10/41/351851041.db2.gz FCXBZUUGJGESDO-SNVBAGLBSA-N 1 0 187.302 3.032 10 0 AGAERO C[C@@H]([NH3+])[C@](C)(F)C1CCCCCC1 257852595 351852591 /nfs/dbraw/zinc/85/25/91/351852591.db2.gz PHPVGDNRJBXRTQ-KOLCDFICSA-N 1 0 187.302 3.032 10 0 AGAERO C[C@H]([NH3+])[C@@](C)(F)C1CCCCCC1 257852594 351852761 /nfs/dbraw/zinc/85/27/61/351852761.db2.gz PHPVGDNRJBXRTQ-GXSJLCMTSA-N 1 0 187.302 3.032 10 0 AGAERO C[C@H]([NH3+])[C@](C)(F)C1CCCCCC1 257852599 351853183 /nfs/dbraw/zinc/85/31/83/351853183.db2.gz PHPVGDNRJBXRTQ-ONGXEEELSA-N 1 0 187.302 3.032 10 0 AGAERO C[C@@H]([NH3+])[C@@](C)(F)C1CCCCCC1 257852597 351853262 /nfs/dbraw/zinc/85/32/62/351853262.db2.gz PHPVGDNRJBXRTQ-MWLCHTKSSA-N 1 0 187.302 3.032 10 0 AGAERO [NH3+]Cc1cccc(C2=CCCCC2)c1 257889350 351853938 /nfs/dbraw/zinc/85/39/38/351853938.db2.gz NDTPLNJFJCRVGS-UHFFFAOYSA-N 1 0 187.286 3.103 10 0 AGAERO CC1CC([NH3+])(C2CCCCCC2)C1 259654659 351877643 /nfs/dbraw/zinc/87/76/43/351877643.db2.gz HHCZPTYXINFKSN-UHFFFAOYSA-N 1 0 181.323 3.084 10 0 AGAERO CC(F)(F)CC1([NH3+])CCCCCC1 259642498 351877667 /nfs/dbraw/zinc/87/76/67/351877667.db2.gz GUBRFMATMIIQCC-UHFFFAOYSA-N 1 0 191.265 3.083 10 0 AGAERO CC1(C)CC([NH3+])(C2CCCCC2)C1 259777712 351879647 /nfs/dbraw/zinc/87/96/47/351879647.db2.gz QIIPPYLFEQDGAV-UHFFFAOYSA-N 1 0 181.323 3.084 10 0 AGAERO CCC[C@H]([NH3+])c1csc(Cl)c1 306883518 351971696 /nfs/dbraw/zinc/97/16/96/351971696.db2.gz OZYJNAIZVXKGKX-ZETCQYMHSA-N 1 0 189.711 3.201 10 0 AGAERO CCC[C@@H]([NH3+])c1csc(Cl)c1 306883517 351971950 /nfs/dbraw/zinc/97/19/50/351971950.db2.gz OZYJNAIZVXKGKX-SSDOTTSWSA-N 1 0 189.711 3.201 10 0 AGAERO CC(C)(F)C[NH2+]C1CCCCCC1 307000182 351980288 /nfs/dbraw/zinc/98/02/88/351980288.db2.gz HKQWPRZZCPNYST-UHFFFAOYSA-N 1 0 187.302 3.047 10 0 AGAERO Cc1scc(C[NH2+]C(C)(C)C)c1C 307197938 351993925 /nfs/dbraw/zinc/99/39/25/351993925.db2.gz TXSFNYRIOPKWFA-UHFFFAOYSA-N 1 0 197.347 3.253 10 0 AGAERO CCCC[N@@H+]1CCCCC[C@@H]1C 307679856 352031239 /nfs/dbraw/zinc/03/12/39/352031239.db2.gz NQDINCCHNLYQIN-NSHDSACASA-N 1 0 169.312 3.051 10 0 AGAERO CCCC[N@@H+]1CCCCC[C@H]1C 307679855 352031507 /nfs/dbraw/zinc/03/15/07/352031507.db2.gz NQDINCCHNLYQIN-LLVKDONJSA-N 1 0 169.312 3.051 10 0 AGAERO CC[C@@H]1CCCC[C@@H]1[NH+](CC)CC 308155217 352043785 /nfs/dbraw/zinc/04/37/85/352043785.db2.gz TVEQOECCHQRCQT-NEPJUHHUSA-N 1 0 183.339 3.297 10 0 AGAERO CC[C@H]1CCCC[C@@H]1[NH+](CC)CC 308155219 352043838 /nfs/dbraw/zinc/04/38/38/352043838.db2.gz TVEQOECCHQRCQT-RYUDHWBXSA-N 1 0 183.339 3.297 10 0 AGAERO CC[C@H]1CCCC[C@H]1[NH+](CC)CC 308155218 352044363 /nfs/dbraw/zinc/04/43/63/352044363.db2.gz TVEQOECCHQRCQT-NWDGAFQWSA-N 1 0 183.339 3.297 10 0 AGAERO CC[C@@H]1CCCC[C@H]1[NH+](CC)CC 308155220 352044481 /nfs/dbraw/zinc/04/44/81/352044481.db2.gz TVEQOECCHQRCQT-VXGBXAGGSA-N 1 0 183.339 3.297 10 0 AGAERO CC(C)[C@H](C)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 403712589 352156530 /nfs/dbraw/zinc/15/65/30/352156530.db2.gz GANLHPFAGKMBPO-QNWHQSFQSA-N 1 0 195.350 3.057 10 0 AGAERO CC[C@H](C)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 403735591 352156535 /nfs/dbraw/zinc/15/65/35/352156535.db2.gz LGCLWONXPMUKMC-LOWDOPEQSA-N 1 0 195.350 3.058 10 0 AGAERO CC(C)(C)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 403766432 352156552 /nfs/dbraw/zinc/15/65/52/352156552.db2.gz SJYXAQDWFWHKNH-GRYCIOLGSA-N 1 0 195.350 3.058 10 0 AGAERO CC(C)(C)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 403766795 352156559 /nfs/dbraw/zinc/15/65/59/352156559.db2.gz SJYXAQDWFWHKNH-UTUOFQBUSA-N 1 0 195.350 3.058 10 0 AGAERO CC[C@H](C)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 403735596 352156562 /nfs/dbraw/zinc/15/65/62/352156562.db2.gz LGCLWONXPMUKMC-QNWHQSFQSA-N 1 0 195.350 3.058 10 0 AGAERO CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 403734866 352156565 /nfs/dbraw/zinc/15/65/65/352156565.db2.gz LBIZMBANOXONGR-QNWHQSFQSA-N 1 0 195.350 3.201 10 0 AGAERO CCC(CC)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 403705939 352156577 /nfs/dbraw/zinc/15/65/77/352156577.db2.gz DOVCGQLBOXNCPV-UTUOFQBUSA-N 1 0 195.350 3.201 10 0 AGAERO CC(C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 527629786 352167066 /nfs/dbraw/zinc/16/70/66/352167066.db2.gz RCUIFBJUKDICAH-WXHSDQCUSA-N 1 0 195.350 3.057 10 0 AGAERO CC(C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 527629785 352167353 /nfs/dbraw/zinc/16/73/53/352167353.db2.gz RCUIFBJUKDICAH-DRZSPHRISA-N 1 0 195.350 3.057 10 0 AGAERO C[C@H]([NH2+]CC(C)(C)C)[C@@H]1C[C@H]1C1CC1 527646320 352167847 /nfs/dbraw/zinc/16/78/47/352167847.db2.gz USQQBXMSTNYQRJ-DLOVCJGASA-N 1 0 195.350 3.057 10 0 AGAERO CC1(C[NH2+]CC[C@@H]2CC=CCC2)CC1 527789688 352169522 /nfs/dbraw/zinc/16/95/22/352169522.db2.gz NGYQYXCGPJNJOZ-GFCCVEGCSA-N 1 0 193.334 3.123 10 0 AGAERO C1=CC[C@H](CC[NH2+]C2CCCC2)CC1 527786217 352169802 /nfs/dbraw/zinc/16/98/02/352169802.db2.gz DFEVCQXQDRZMIT-LBPRGKRZSA-N 1 0 193.334 3.265 10 0 AGAERO CCC([NH2+]CC(C)C)(C1CC1)C1CC1 527766295 352170015 /nfs/dbraw/zinc/17/00/15/352170015.db2.gz YSSMKZUMMRAWLC-UHFFFAOYSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@H]([NH2+]CC[C@H]1CC=CCC1)C1CC1 527787781 352170125 /nfs/dbraw/zinc/17/01/25/352170125.db2.gz IMFSEFOCXVIDEZ-RYUDHWBXSA-N 1 0 193.334 3.121 10 0 AGAERO CC(C)[NH2+]CC[C@@H]1CCCC1(C)C 527914158 352173334 /nfs/dbraw/zinc/17/33/34/352173334.db2.gz ANNITMXDGSHKRB-NSHDSACASA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H](C)[NH2+]CC[C@@H]1CC=CCC1 527981544 352173990 /nfs/dbraw/zinc/17/39/90/352173990.db2.gz KMIRQSSZWAPEQA-VXGBXAGGSA-N 1 0 181.323 3.121 10 0 AGAERO CC(C)[C@H](C)[NH2+]CC[C@@H]1CC=CCC1 527986570 352174002 /nfs/dbraw/zinc/17/40/02/352174002.db2.gz PNQGCUCNNVZRHH-QWHCGFSZSA-N 1 0 195.350 3.367 10 0 AGAERO CC(C)[C@@H](C)[NH2+]CC[C@@H]1CC=CCC1 527986568 352174013 /nfs/dbraw/zinc/17/40/13/352174013.db2.gz PNQGCUCNNVZRHH-CHWSQXEVSA-N 1 0 195.350 3.367 10 0 AGAERO CC[C@H](C)[NH2+]CC[C@H]1CC=CCC1 527981542 352174197 /nfs/dbraw/zinc/17/41/97/352174197.db2.gz KMIRQSSZWAPEQA-RYUDHWBXSA-N 1 0 181.323 3.121 10 0 AGAERO CC[C@@H](C)[NH2+]CC[C@H]1CC=CCC1 527981537 352174361 /nfs/dbraw/zinc/17/43/61/352174361.db2.gz KMIRQSSZWAPEQA-NEPJUHHUSA-N 1 0 181.323 3.121 10 0 AGAERO C[C@@H](C1CC1)[N@H+](C)CC1CC(C)(C)C1 528344979 352176556 /nfs/dbraw/zinc/17/65/56/352176556.db2.gz MOUMXMZRQFQERK-JTQLQIEISA-N 1 0 195.350 3.153 10 0 AGAERO CC[N@H+](CC1CC(C)(C)C1)C(C)C 528350014 352176649 /nfs/dbraw/zinc/17/66/49/352176649.db2.gz BNOKBHLRGBCZBP-UHFFFAOYSA-N 1 0 183.339 3.153 10 0 AGAERO C[C@H](C1CC1)[N@H+](C)CC1CC(C)(C)C1 528344980 352176957 /nfs/dbraw/zinc/17/69/57/352176957.db2.gz MOUMXMZRQFQERK-SNVBAGLBSA-N 1 0 195.350 3.153 10 0 AGAERO CC[C@H](C)[N@H+](C)CC1CC(C)(C)C1 528418593 352177432 /nfs/dbraw/zinc/17/74/32/352177432.db2.gz XIKRYVOMVHDCIB-JTQLQIEISA-N 1 0 183.339 3.153 10 0 AGAERO CC[C@@H](C)[N@H+](C)CC1CC(C)(C)C1 528418594 352178087 /nfs/dbraw/zinc/17/80/87/352178087.db2.gz XIKRYVOMVHDCIB-SNVBAGLBSA-N 1 0 183.339 3.153 10 0 AGAERO C[N@H+](CC1CC(C)(C)C1)C(C)(C)C 528537697 352179937 /nfs/dbraw/zinc/17/99/37/352179937.db2.gz LWJRSVGKTYSWKD-UHFFFAOYSA-N 1 0 183.339 3.153 10 0 AGAERO CC1(C)CC(C)(C)CC(C)(C[NH3+])C1 536952269 352190927 /nfs/dbraw/zinc/19/09/27/352190927.db2.gz CDAHBTBUQKEKQD-UHFFFAOYSA-N 1 0 183.339 3.188 10 0 AGAERO CC(C)[C@H]1CC[C@@H](C)C[C@]1(C)C[NH3+] 536954186 352191896 /nfs/dbraw/zinc/19/18/96/352191896.db2.gz NWAAVAOERMTNLI-IJLUTSLNSA-N 1 0 183.339 3.044 10 0 AGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@]1(C)C[NH3+] 536954187 352191999 /nfs/dbraw/zinc/19/19/99/352191999.db2.gz NWAAVAOERMTNLI-UTUOFQBUSA-N 1 0 183.339 3.044 10 0 AGAERO CC(C)c1ccc([C@H]([NH3+])CCF)cc1 575439436 352203916 /nfs/dbraw/zinc/20/39/16/352203916.db2.gz LDGVLSSSDXACMI-GFCCVEGCSA-N 1 0 195.281 3.169 10 0 AGAERO CC(C)c1cccc([C@@H]([NH3+])CCF)c1 575439313 352203898 /nfs/dbraw/zinc/20/38/98/352203898.db2.gz RICANYQMSNZCJN-LBPRGKRZSA-N 1 0 195.281 3.169 10 0 AGAERO CC(C)c1cccc([C@H]([NH3+])CCF)c1 575439251 352204077 /nfs/dbraw/zinc/20/40/77/352204077.db2.gz RICANYQMSNZCJN-GFCCVEGCSA-N 1 0 195.281 3.169 10 0 AGAERO CC(C)c1ccc([C@@H]([NH3+])CCF)cc1 575440156 352204590 /nfs/dbraw/zinc/20/45/90/352204590.db2.gz LDGVLSSSDXACMI-LBPRGKRZSA-N 1 0 195.281 3.169 10 0 AGAERO CC(C)=CC/C=C1\CC[NH2+][C@H](C)C1 575456889 352231900 /nfs/dbraw/zinc/23/19/00/352231900.db2.gz ZMQUYHFHGVABNJ-GGQLTLKSSA-N 1 0 179.307 3.041 10 0 AGAERO CC(C)=CC/C=C1\CC[NH2+][C@@H](C)C1 575456887 352231947 /nfs/dbraw/zinc/23/19/47/352231947.db2.gz ZMQUYHFHGVABNJ-DREKTBMASA-N 1 0 179.307 3.041 10 0 AGAERO CC(C)=CC/C=C1/CC[C@H](C)[NH2+]C1 575458049 352234651 /nfs/dbraw/zinc/23/46/51/352234651.db2.gz VYVARRRUBZROTQ-RMCZBGCRSA-N 1 0 179.307 3.041 10 0 AGAERO CC(C)=CC/C=C1/CC[C@@H](C)[NH2+]C1 575458048 352234734 /nfs/dbraw/zinc/23/47/34/352234734.db2.gz VYVARRRUBZROTQ-MDUDVEDUSA-N 1 0 179.307 3.041 10 0 AGAERO C/C=C/[C@@H]([NH3+])c1ccc(Cl)cc1F 575458468 352236838 /nfs/dbraw/zinc/23/68/38/352236838.db2.gz YBMIUGKNQWPZON-VMZHVLLKSA-N 1 0 199.656 3.055 10 0 AGAERO C/C=C/[C@H]([NH3+])c1ccc(Cl)cc1F 575458464 352236983 /nfs/dbraw/zinc/23/69/83/352236983.db2.gz YBMIUGKNQWPZON-PBKGFPTLSA-N 1 0 199.656 3.055 10 0 AGAERO CC(C)=CCC1([NH3+])CC2(CCC2)C1 575460465 352242955 /nfs/dbraw/zinc/24/29/55/352242955.db2.gz XSZFYUSHGUJWCA-UHFFFAOYSA-N 1 0 179.307 3.004 10 0 AGAERO Cc1ccc([C@H](C)[C@H](C)[NH3+])c(Cl)c1 575470176 352282437 /nfs/dbraw/zinc/28/24/37/352282437.db2.gz DPDFUNMXXMUYAO-BDAKNGLRSA-N 1 0 197.709 3.099 10 0 AGAERO Cc1ccc([C@@H](C)[C@H](C)[NH3+])c(Cl)c1 575470184 352282245 /nfs/dbraw/zinc/28/22/45/352282245.db2.gz DPDFUNMXXMUYAO-IUCAKERBSA-N 1 0 197.709 3.099 10 0 AGAERO Cc1ccc([C@H](C)[C@@H](C)[NH3+])c(Cl)c1 575470189 352282418 /nfs/dbraw/zinc/28/24/18/352282418.db2.gz DPDFUNMXXMUYAO-RKDXNWHRSA-N 1 0 197.709 3.099 10 0 AGAERO Cc1ccc([C@@H](C)[C@@H](C)[NH3+])c(Cl)c1 575470182 352282462 /nfs/dbraw/zinc/28/24/62/352282462.db2.gz DPDFUNMXXMUYAO-DTWKUNHWSA-N 1 0 197.709 3.099 10 0 AGAERO C[C@H]1CCCC[C@@H]1[NH2+]C1(C)CCC1 575475242 352291518 /nfs/dbraw/zinc/29/15/18/352291518.db2.gz WMEYECJUGVVRSF-QWRGUYRKSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@H]1CCCC[C@H]1[NH2+]C1(C)CCC1 575475243 352291644 /nfs/dbraw/zinc/29/16/44/352291644.db2.gz WMEYECJUGVVRSF-WDEREUQCSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@@H]1CCCC[C@@H]1[NH2+]C1(C)CCC1 575475241 352291694 /nfs/dbraw/zinc/29/16/94/352291694.db2.gz WMEYECJUGVVRSF-MNOVXSKESA-N 1 0 181.323 3.097 10 0 AGAERO C[C@@H]1CCCC[C@H]1[NH2+]C1(C)CCC1 575475240 352291913 /nfs/dbraw/zinc/29/19/13/352291913.db2.gz WMEYECJUGVVRSF-GHMZBOCLSA-N 1 0 181.323 3.097 10 0 AGAERO Cc1sccc1C1CCC([NH3+])CC1 575475496 352292274 /nfs/dbraw/zinc/29/22/74/352292274.db2.gz VLQZTVZHGGMKPK-UHFFFAOYSA-N 1 0 195.331 3.041 10 0 AGAERO [NH3+]C1CCC(C2=CCCCC2)CC1 575475511 352292485 /nfs/dbraw/zinc/29/24/85/352292485.db2.gz WGILSANGEAKENZ-UHFFFAOYSA-N 1 0 179.307 3.004 10 0 AGAERO C[C@@]([NH3+])(C1CCCCCC1)C1CC1 575475688 352293117 /nfs/dbraw/zinc/29/31/17/352293117.db2.gz KDIWMVVCKDSJCZ-GFCCVEGCSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@]([NH3+])(C1CCCCCC1)C1CC1 575475689 352293318 /nfs/dbraw/zinc/29/33/18/352293318.db2.gz KDIWMVVCKDSJCZ-LBPRGKRZSA-N 1 0 181.323 3.084 10 0 AGAERO CC1(CC2([NH3+])CC=CC2)CCCC1 575478841 352297318 /nfs/dbraw/zinc/29/73/18/352297318.db2.gz GGWIABAWPGWXNF-UHFFFAOYSA-N 1 0 179.307 3.004 10 0 AGAERO [NH3+]C1(C2CCCCCC2)CC=CC1 575479192 352299319 /nfs/dbraw/zinc/29/93/19/352299319.db2.gz KIAAGONKEKBDJQ-UHFFFAOYSA-N 1 0 179.307 3.004 10 0 AGAERO [NH3+]C1(CC2CCCCC2)CC=CC1 575479493 352300477 /nfs/dbraw/zinc/30/04/77/352300477.db2.gz QYSWSVQNRGRJIP-UHFFFAOYSA-N 1 0 179.307 3.004 10 0 AGAERO Cc1sccc1[C@H]([NH3+])C1CC(C)C1 575486723 352337916 /nfs/dbraw/zinc/33/79/16/352337916.db2.gz LFMXQJKATKMTPL-LKXRVVKTSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1sccc1[C@@H]([NH3+])C1CC(C)C1 575486715 352338427 /nfs/dbraw/zinc/33/84/27/352338427.db2.gz LFMXQJKATKMTPL-FBUXNDKQSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1cc([C@H]([NH3+])C2CC(C)C2)cs1 575486848 352338916 /nfs/dbraw/zinc/33/89/16/352338916.db2.gz MXSVPAWJRMWGIA-LKXRVVKTSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1cc([C@@H]([NH3+])C2CC(C)C2)cs1 575486847 352339030 /nfs/dbraw/zinc/33/90/30/352339030.db2.gz MXSVPAWJRMWGIA-FBUXNDKQSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccc([C@H]([NH3+])C2CC(C)C2)s1 575487531 352343281 /nfs/dbraw/zinc/34/32/81/352343281.db2.gz UHHKMJPELRWPQB-LKXRVVKTSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccsc1[C@@H]([NH3+])C1CC(C)C1 575487482 352343352 /nfs/dbraw/zinc/34/33/52/352343352.db2.gz TUZMBRYFFLXPMS-GDRRJGKNSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccsc1[C@H]([NH3+])C1CC(C)C1 575487483 352343379 /nfs/dbraw/zinc/34/33/79/352343379.db2.gz TUZMBRYFFLXPMS-YXGXMSFMSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccc([C@@H]([NH3+])C2CC(C)C2)s1 575487530 352343442 /nfs/dbraw/zinc/34/34/42/352343442.db2.gz UHHKMJPELRWPQB-FBUXNDKQSA-N 1 0 195.331 3.102 10 0 AGAERO CC(C)[C@H]([NH3+])[C@@H]1CCCCC[C@H]1C 575489241 352352572 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CC[C@H]([NH3+])[C@@]1(C)CC[C@@H](C)C1(C)C 575497331 352389685 /nfs/dbraw/zinc/38/96/85/352389685.db2.gz WYGWWZICZSUMMK-JFGNBEQYSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@H]([NH3+])[C@]1(C)CC[C@H](C)C1(C)C 575497332 352389816 /nfs/dbraw/zinc/38/98/16/352389816.db2.gz WYGWWZICZSUMMK-NHCYSSNCSA-N 1 0 183.339 3.186 10 0 AGAERO C[C@H]1CCC[C@H]1c1ccsc1C[NH3+] 575497924 352392281 /nfs/dbraw/zinc/39/22/81/352392281.db2.gz OUQIZGMFWONVJC-DTWKUNHWSA-N 1 0 195.331 3.110 10 0 AGAERO C[C@H]1CCC[C@@H]1c1ccsc1C[NH3+] 575497925 352392420 /nfs/dbraw/zinc/39/24/20/352392420.db2.gz OUQIZGMFWONVJC-IUCAKERBSA-N 1 0 195.331 3.110 10 0 AGAERO C[C@@H]1CCC[C@H]1c1ccsc1C[NH3+] 575497926 352392480 /nfs/dbraw/zinc/39/24/80/352392480.db2.gz OUQIZGMFWONVJC-RKDXNWHRSA-N 1 0 195.331 3.110 10 0 AGAERO C[C@@H]1CCC[C@@H]1c1ccsc1C[NH3+] 575497923 352392610 /nfs/dbraw/zinc/39/26/10/352392610.db2.gz OUQIZGMFWONVJC-BDAKNGLRSA-N 1 0 195.331 3.110 10 0 AGAERO CC1(c2ccsc2C[NH3+])CCCC1 575502198 352416138 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FKQJKQYZTFXWTC-VMZHVLLKSA-N 1 0 199.656 3.055 10 0 AGAERO C/C=C/[C@H]([NH3+])c1cc(Cl)ccc1C 575566354 352706299 /nfs/dbraw/zinc/70/62/99/352706299.db2.gz GOVMNGIDNGABKA-UFFNRZRYSA-N 1 0 195.693 3.224 10 0 AGAERO CC[C@]1([NH3+])CCCCC[C@H]1C(C)C 575566285 352706309 /nfs/dbraw/zinc/70/63/09/352706309.db2.gz SQXZAUGNAXEDGC-RYUDHWBXSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@]1([NH3+])CCCCC[C@H]1C(C)C 575566284 352706382 /nfs/dbraw/zinc/70/63/82/352706382.db2.gz SQXZAUGNAXEDGC-NWDGAFQWSA-N 1 0 183.339 3.330 10 0 AGAERO C/C=C/[C@@H]([NH3+])c1cc(Cl)ccc1C 575566351 352706477 /nfs/dbraw/zinc/70/64/77/352706477.db2.gz GOVMNGIDNGABKA-PGLGOXFNSA-N 1 0 195.693 3.224 10 0 AGAERO CC[C@]1([NH3+])CCCCC[C@@H]1C(C)C 575566283 352706597 /nfs/dbraw/zinc/70/65/97/352706597.db2.gz SQXZAUGNAXEDGC-NEPJUHHUSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@]1([NH3+])CCCCC[C@@H]1C(C)C 575566286 352706707 /nfs/dbraw/zinc/70/67/07/352706707.db2.gz SQXZAUGNAXEDGC-VXGBXAGGSA-N 1 0 183.339 3.330 10 0 AGAERO C/C=C/[C@H]([NH3+])c1cccc(C)c1Cl 575567192 352709887 /nfs/dbraw/zinc/70/98/87/352709887.db2.gz JSQFFHXIJBOAGQ-GFAPAMAISA-N 1 0 195.693 3.224 10 0 AGAERO C/C=C/[C@@H]([NH3+])c1cccc(C)c1Cl 575567195 352709894 /nfs/dbraw/zinc/70/98/94/352709894.db2.gz JSQFFHXIJBOAGQ-RXNUUUNCSA-N 1 0 195.693 3.224 10 0 AGAERO C/C=C/[C@@H]([NH3+])c1c(F)cccc1Cl 575567200 352709976 /nfs/dbraw/zinc/70/99/76/352709976.db2.gz JTNOOGPBGOLKRM-HDMKULJXSA-N 1 0 199.656 3.055 10 0 AGAERO C/C=C/[C@H]([NH3+])c1c(F)cccc1Cl 575567202 352710034 /nfs/dbraw/zinc/71/00/34/352710034.db2.gz JTNOOGPBGOLKRM-LXOKAJLYSA-N 1 0 199.656 3.055 10 0 AGAERO C/C=C/[C@H]([NH3+])c1ccc(C)cc1Cl 575567225 352710674 /nfs/dbraw/zinc/71/06/74/352710674.db2.gz JYQABOTWMMIGBK-UFFNRZRYSA-N 1 0 195.693 3.224 10 0 AGAERO C/C=C/[C@@H]([NH3+])c1ccc(Cl)cc1C 575567255 352710724 /nfs/dbraw/zinc/71/07/24/352710724.db2.gz KGZZUZMIJJSXHM-PGLGOXFNSA-N 1 0 195.693 3.224 10 0 AGAERO C/C=C/[C@@H]([NH3+])c1ccc(C)cc1Cl 575567223 352710772 /nfs/dbraw/zinc/71/07/72/352710772.db2.gz JYQABOTWMMIGBK-PGLGOXFNSA-N 1 0 195.693 3.224 10 0 AGAERO CCC[C@]1([NH3+])CCC(C)(C)C[C@H]1C 575567666 352712709 /nfs/dbraw/zinc/71/27/09/352712709.db2.gz KECWBIALZSESOO-PWSUYJOCSA-N 1 0 183.339 3.330 10 0 AGAERO CCC[C@@]1([NH3+])CCC(C)(C)C[C@@H]1C 575567473 352711873 /nfs/dbraw/zinc/71/18/73/352711873.db2.gz KECWBIALZSESOO-CMPLNLGQSA-N 1 0 183.339 3.330 10 0 AGAERO C/C=C/[C@@H]([NH3+])c1cccc(F)c1Cl 575567565 352711913 /nfs/dbraw/zinc/71/19/13/352711913.db2.gz MAHXFLKLNHQSJE-HDMKULJXSA-N 1 0 199.656 3.055 10 0 AGAERO CCC[C@]1([NH3+])CCC(C)(C)C[C@@H]1C 575567474 352711944 /nfs/dbraw/zinc/71/19/44/352711944.db2.gz KECWBIALZSESOO-JQWIXIFHSA-N 1 0 183.339 3.330 10 0 AGAERO C/C=C/[C@H]([NH3+])c1cccc(F)c1Cl 575567567 352712053 /nfs/dbraw/zinc/71/20/53/352712053.db2.gz MAHXFLKLNHQSJE-LXOKAJLYSA-N 1 0 199.656 3.055 10 0 AGAERO CCC[C@@]1([NH3+])CCC(C)(C)C[C@H]1C 575567668 352712463 /nfs/dbraw/zinc/71/24/63/352712463.db2.gz KECWBIALZSESOO-ZYHUDNBSSA-N 1 0 183.339 3.330 10 0 AGAERO C/C=C/[C@@H]([NH3+])c1cc(C)cc(Cl)c1 575569274 352720188 /nfs/dbraw/zinc/72/01/88/352720188.db2.gz SSTXRNOTSJGUBB-PGLGOXFNSA-N 1 0 195.693 3.224 10 0 AGAERO C/C=C/[C@@H]([NH3+])[C@H]1CCCCC1(C)C 575569459 352720208 /nfs/dbraw/zinc/72/02/08/352720208.db2.gz VLIOTRGVXJBVIS-OZSGMGSPSA-N 1 0 181.323 3.106 10 0 AGAERO C/C=C/[C@@H]([NH3+])c1ccc(C)c(Cl)c1 575569443 352720354 /nfs/dbraw/zinc/72/03/54/352720354.db2.gz VKIACVLKPFZXHE-PGLGOXFNSA-N 1 0 195.693 3.224 10 0 AGAERO C/C=C/[C@H]([NH3+])c1cc(C)cc(Cl)c1 575569279 352720389 /nfs/dbraw/zinc/72/03/89/352720389.db2.gz SSTXRNOTSJGUBB-UFFNRZRYSA-N 1 0 195.693 3.224 10 0 AGAERO C/C=C/[C@H]([NH3+])[C@@H]1CCCCC1(C)C 575569461 352720448 /nfs/dbraw/zinc/72/04/48/352720448.db2.gz VLIOTRGVXJBVIS-UHDIHKPFSA-N 1 0 181.323 3.106 10 0 AGAERO C/C=C/[C@H]([NH3+])c1ccc(C)c(Cl)c1 575569446 352720455 /nfs/dbraw/zinc/72/04/55/352720455.db2.gz VKIACVLKPFZXHE-UFFNRZRYSA-N 1 0 195.693 3.224 10 0 AGAERO C/C=C/[C@@H]([NH3+])c1ccc(Cl)c(F)c1 575569292 352720477 /nfs/dbraw/zinc/72/04/77/352720477.db2.gz STTSZEICMZISHF-VMZHVLLKSA-N 1 0 199.656 3.055 10 0 AGAERO C/C=C/[C@H]([NH3+])[C@H]1CCCCC1(C)C 575569448 352720489 /nfs/dbraw/zinc/72/04/89/352720489.db2.gz VLIOTRGVXJBVIS-CEIHKIRRSA-N 1 0 181.323 3.106 10 0 AGAERO C/C=C/[C@H]([NH3+])c1ccc(Cl)c(F)c1 575569291 352720549 /nfs/dbraw/zinc/72/05/49/352720549.db2.gz STTSZEICMZISHF-PBKGFPTLSA-N 1 0 199.656 3.055 10 0 AGAERO C/C=C/[C@@H]([NH3+])[C@@H]1CCCCC1(C)C 575569453 352720568 /nfs/dbraw/zinc/72/05/68/352720568.db2.gz VLIOTRGVXJBVIS-NAJRYUOPSA-N 1 0 181.323 3.106 10 0 AGAERO CC(C)[C@]1([NH3+])CCC(C)(C)C[C@H]1C 575569786 352722639 /nfs/dbraw/zinc/72/26/39/352722639.db2.gz QVEVGTFFNYDSCR-ZYHUDNBSSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@@]1([NH3+])CCC(C)(C)C[C@@H]1C 575569778 352722653 /nfs/dbraw/zinc/72/26/53/352722653.db2.gz QVEVGTFFNYDSCR-JQWIXIFHSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@]1([NH3+])CCC(C)(C)C[C@@H]1C 575569770 352722672 /nfs/dbraw/zinc/72/26/72/352722672.db2.gz QVEVGTFFNYDSCR-CMPLNLGQSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@@]1([NH3+])CCC(C)(C)C[C@H]1C 575569784 352722680 /nfs/dbraw/zinc/72/26/80/352722680.db2.gz QVEVGTFFNYDSCR-PWSUYJOCSA-N 1 0 183.339 3.186 10 0 AGAERO C/C=C/[C@@H]([NH3+])c1cccc(Cl)c1C 575571008 352728994 /nfs/dbraw/zinc/72/89/94/352728994.db2.gz ZVTXKFUBNBOVLF-JOAKQRRISA-N 1 0 195.693 3.224 10 0 AGAERO C/C=C/[C@H]([NH3+])c1cccc(Cl)c1C 575571009 352729095 /nfs/dbraw/zinc/72/90/95/352729095.db2.gz ZVTXKFUBNBOVLF-TZNOJPMFSA-N 1 0 195.693 3.224 10 0 AGAERO CCC(C)(C)[C@H]1CCCCC[C@H]1[NH3+] 575571252 352729704 /nfs/dbraw/zinc/72/97/04/352729704.db2.gz MJPLVSXMCSGXSM-WDEREUQCSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(C)(C)[C@@H]1CCCCC[C@H]1[NH3+] 575571249 352729736 /nfs/dbraw/zinc/72/97/36/352729736.db2.gz MJPLVSXMCSGXSM-GHMZBOCLSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(C)(C)[C@@H]1CCCCC[C@@H]1[NH3+] 575571250 352729794 /nfs/dbraw/zinc/72/97/94/352729794.db2.gz MJPLVSXMCSGXSM-MNOVXSKESA-N 1 0 183.339 3.330 10 0 AGAERO CCC(C)(C)[C@H]1CCCCC[C@@H]1[NH3+] 575571251 352729867 /nfs/dbraw/zinc/72/98/67/352729867.db2.gz MJPLVSXMCSGXSM-QWRGUYRKSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H]1CCCCC[C@@]1([NH3+])C(C)C 575571380 352730207 /nfs/dbraw/zinc/73/02/07/352730207.db2.gz UVPWFOURNGUKMN-VXGBXAGGSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@H]1CCCCC[C@]1([NH3+])C(C)C 575571376 352730277 /nfs/dbraw/zinc/73/02/77/352730277.db2.gz UVPWFOURNGUKMN-RYUDHWBXSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@@H]1CCCCC[C@]1([NH3+])C(C)C 575571367 352730432 /nfs/dbraw/zinc/73/04/32/352730432.db2.gz UVPWFOURNGUKMN-NEPJUHHUSA-N 1 0 183.339 3.330 10 0 AGAERO CC[C@H]1CCCCC[C@@]1([NH3+])C(C)C 575571372 352730573 /nfs/dbraw/zinc/73/05/73/352730573.db2.gz UVPWFOURNGUKMN-NWDGAFQWSA-N 1 0 183.339 3.330 10 0 AGAERO CCC1([NH3+])CCC2(CCCC2)CC1 575571653 352731682 /nfs/dbraw/zinc/73/16/82/352731682.db2.gz NUSFIXWAMIUPBX-UHFFFAOYSA-N 1 0 181.323 3.228 10 0 AGAERO CCC1([NH3+])CCC(C2CCC2)CC1 575572321 352736151 /nfs/dbraw/zinc/73/61/51/352736151.db2.gz RKFVWVUBIDSLRC-UHFFFAOYSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@]1([NH3+])CCCC12CCCCC2 575573340 352741175 /nfs/dbraw/zinc/74/11/75/352741175.db2.gz XNSRQACBVRJBRL-LBPRGKRZSA-N 1 0 181.323 3.228 10 0 AGAERO CC[C@@]1([NH3+])CCCC12CCCCC2 575573339 352741200 /nfs/dbraw/zinc/74/12/00/352741200.db2.gz XNSRQACBVRJBRL-GFCCVEGCSA-N 1 0 181.323 3.228 10 0 AGAERO CCC(C)(C)[C@@]1(F)CCC[C@H]([NH3+])C1 575573779 352742996 /nfs/dbraw/zinc/74/29/96/352742996.db2.gz APUZYXFQNXBWSQ-GXSJLCMTSA-N 1 0 187.302 3.032 10 0 AGAERO CCC(C)(C)[C@@]1(F)CCC[C@@H]([NH3+])C1 575573781 352743051 /nfs/dbraw/zinc/74/30/51/352743051.db2.gz APUZYXFQNXBWSQ-MWLCHTKSSA-N 1 0 187.302 3.032 10 0 AGAERO CCC(C)(C)[C@]1(F)CCC[C@H]([NH3+])C1 575573782 352743281 /nfs/dbraw/zinc/74/32/81/352743281.db2.gz APUZYXFQNXBWSQ-ONGXEEELSA-N 1 0 187.302 3.032 10 0 AGAERO CCC(C)(C)C1=C[C@H]([NH3+])C[C@@H](C)C1 575573911 352743695 /nfs/dbraw/zinc/74/36/95/352743695.db2.gz CMUPJLUKJRPTOH-GXSJLCMTSA-N 1 0 181.323 3.106 10 0 AGAERO CCC(C)(C)C1=C[C@@H]([NH3+])C[C@H](C)C1 575573913 352743789 /nfs/dbraw/zinc/74/37/89/352743789.db2.gz CMUPJLUKJRPTOH-KOLCDFICSA-N 1 0 181.323 3.106 10 0 AGAERO CCC(C)(C)C1=C[C@H]([NH3+])C[C@H](C)C1 575573914 352743810 /nfs/dbraw/zinc/74/38/10/352743810.db2.gz CMUPJLUKJRPTOH-MWLCHTKSSA-N 1 0 181.323 3.106 10 0 AGAERO CCC(C)(C)C1=C[C@@H]([NH3+])C[C@@H](C)C1 575573915 352743855 /nfs/dbraw/zinc/74/38/55/352743855.db2.gz CMUPJLUKJRPTOH-ONGXEEELSA-N 1 0 181.323 3.106 10 0 AGAERO CCC(C)(C)C1=C[C@H]([NH3+])CCCC1 575574164 352744353 /nfs/dbraw/zinc/74/43/53/352744353.db2.gz KTAMHVUJSALNCQ-LLVKDONJSA-N 1 0 181.323 3.250 10 0 AGAERO CCC(C)(C)C1=C[C@@H]([NH3+])CCCC1 575574165 352744684 /nfs/dbraw/zinc/74/46/84/352744684.db2.gz KTAMHVUJSALNCQ-NSHDSACASA-N 1 0 181.323 3.250 10 0 AGAERO CCC(C)(C)C1C[C@@H](C)[NH2+][C@H](C)C1 575574299 352744891 /nfs/dbraw/zinc/74/48/91/352744891.db2.gz QFMOLOJVIPXJOH-NXEZZACHSA-N 1 0 183.339 3.199 10 0 AGAERO CCC(C)(C)[C@H]1C[C@H](C)[NH2+][C@H](C)C1 575574298 352744991 /nfs/dbraw/zinc/74/49/91/352744991.db2.gz QFMOLOJVIPXJOH-JGPRNRPPSA-N 1 0 183.339 3.199 10 0 AGAERO CCC(C)(C)[C@H]1CCCC[C@H]([NH3+])C1 575574231 352745035 /nfs/dbraw/zinc/74/50/35/352745035.db2.gz NFXBRNOZPRYWTG-QWRGUYRKSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(C)(C)[C@@H]1CCCC[C@@H]([NH3+])C1 575574229 352745068 /nfs/dbraw/zinc/74/50/68/352745068.db2.gz NFXBRNOZPRYWTG-GHMZBOCLSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(C)(C)[C@@H]1CCCC[C@H]([NH3+])C1 575574230 352745074 /nfs/dbraw/zinc/74/50/74/352745074.db2.gz NFXBRNOZPRYWTG-MNOVXSKESA-N 1 0 183.339 3.330 10 0 AGAERO CCC(C)(C)[C@H]1CCCC[C@@H]([NH3+])C1 575574232 352745142 /nfs/dbraw/zinc/74/51/42/352745142.db2.gz NFXBRNOZPRYWTG-WDEREUQCSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(C)(C)C1(F)CCC([NH3+])CC1 575574235 352745311 /nfs/dbraw/zinc/74/53/11/352745311.db2.gz NILSYWRYENHAKF-UHFFFAOYSA-N 1 0 187.302 3.032 10 0 AGAERO CCC(C)(C)[C@@H]1C[NH2+][C@@H](C)[C@@H](C)C1 575574450 352745868 /nfs/dbraw/zinc/74/58/68/352745868.db2.gz UCFIUWYHKQZBLT-DCAQKATOSA-N 1 0 183.339 3.057 10 0 AGAERO CCC(C)(C)[C@@H]1C[NH2+][C@H](C)[C@H](C)C1 575574451 352745889 /nfs/dbraw/zinc/74/58/89/352745889.db2.gz UCFIUWYHKQZBLT-MXWKQRLJSA-N 1 0 183.339 3.057 10 0 AGAERO CCC(C)(C)C1C[C@H](C)[NH2+][C@@H](C)C1 575574300 352745964 /nfs/dbraw/zinc/74/59/64/352745964.db2.gz QFMOLOJVIPXJOH-UWVGGRQHSA-N 1 0 183.339 3.199 10 0 AGAERO CCC(C)(C)[C@@H]1C[NH2+][C@@H](C)[C@H](C)C1 575574452 352745991 /nfs/dbraw/zinc/74/59/91/352745991.db2.gz UCFIUWYHKQZBLT-VWYCJHECSA-N 1 0 183.339 3.057 10 0 AGAERO CCC(C)(C)[C@@H]1C[NH2+][C@H](C)[C@@H](C)C1 575574449 352746154 /nfs/dbraw/zinc/74/61/54/352746154.db2.gz UCFIUWYHKQZBLT-AXFHLTTASA-N 1 0 183.339 3.057 10 0 AGAERO CCC(C)(C)[C@@H]1[NH2+]C[C@H](C)C[C@H]1C 575574516 352746472 /nfs/dbraw/zinc/74/64/72/352746472.db2.gz XNOCOZYFKDSMHR-GMTAPVOTSA-N 1 0 183.339 3.057 10 0 AGAERO CCC(C)(C)[C@@H]1[NH2+]C[C@H](C)C[C@@H]1C 575574518 352746603 /nfs/dbraw/zinc/74/66/03/352746603.db2.gz XNOCOZYFKDSMHR-OUAUKWLOSA-N 1 0 183.339 3.057 10 0 AGAERO CCC(C)(C)[C@@H]1[NH2+]C[C@@H](C)C[C@H]1C 575574517 352746619 /nfs/dbraw/zinc/74/66/19/352746619.db2.gz XNOCOZYFKDSMHR-HBNTYKKESA-N 1 0 183.339 3.057 10 0 AGAERO CCC(C)(C)[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1C 575574515 352746708 /nfs/dbraw/zinc/74/67/08/352746708.db2.gz XNOCOZYFKDSMHR-GARJFASQSA-N 1 0 183.339 3.057 10 0 AGAERO Cc1ccsc1[C@@](C)([NH3+])C1(C)CC1 575574880 352748585 /nfs/dbraw/zinc/74/85/85/352748585.db2.gz AEMRYAKWNPVWNF-LLVKDONJSA-N 1 0 195.331 3.031 10 0 AGAERO Cc1ccsc1[C@](C)([NH3+])C1(C)CC1 575574881 352748756 /nfs/dbraw/zinc/74/87/56/352748756.db2.gz AEMRYAKWNPVWNF-NSHDSACASA-N 1 0 195.331 3.031 10 0 AGAERO Cc1ccc([C@](C)([NH3+])C2(C)CC2)s1 575575264 352750089 /nfs/dbraw/zinc/75/00/89/352750089.db2.gz FDRWIXXZXFZRLE-NSHDSACASA-N 1 0 195.331 3.031 10 0 AGAERO Cc1ccc([C@@](C)([NH3+])C2(C)CC2)s1 575575263 352750448 /nfs/dbraw/zinc/75/04/48/352750448.db2.gz FDRWIXXZXFZRLE-LLVKDONJSA-N 1 0 195.331 3.031 10 0 AGAERO C[C@@]([NH3+])(c1ccsc1)C1CCCC1 575575284 352751027 /nfs/dbraw/zinc/75/10/27/352751027.db2.gz FOCOKUCRWMTHIA-NSHDSACASA-N 1 0 195.331 3.112 10 0 AGAERO C[C@]([NH3+])(c1ccsc1)C1CCCC1 575575282 352751201 /nfs/dbraw/zinc/75/12/01/352751201.db2.gz FOCOKUCRWMTHIA-LLVKDONJSA-N 1 0 195.331 3.112 10 0 AGAERO Cc1ccsc1[C@](C)([NH3+])C(C)(C)C 575575531 352751779 /nfs/dbraw/zinc/75/17/79/352751779.db2.gz HNBNNGCGWXPWEB-NSHDSACASA-N 1 0 197.347 3.277 10 0 AGAERO Cc1ccsc1[C@@](C)([NH3+])C(C)(C)C 575575529 352751844 /nfs/dbraw/zinc/75/18/44/352751844.db2.gz HNBNNGCGWXPWEB-LLVKDONJSA-N 1 0 197.347 3.277 10 0 AGAERO Cc1sccc1[C@](C)([NH3+])C1(C)CC1 575575796 352753763 /nfs/dbraw/zinc/75/37/63/352753763.db2.gz IWMPZHLZWGPMOO-NSHDSACASA-N 1 0 195.331 3.031 10 0 AGAERO CC1([C@](C)([NH3+])C2CCCCC2)CC1 575575935 352754108 /nfs/dbraw/zinc/75/41/08/352754108.db2.gz KEUXQXGXMBVQRO-GFCCVEGCSA-N 1 0 181.323 3.084 10 0 AGAERO CC1([C@@](C)([NH3+])C2CCCCC2)CC1 575575938 352754223 /nfs/dbraw/zinc/75/42/23/352754223.db2.gz KEUXQXGXMBVQRO-LBPRGKRZSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@@H]1CCCC[C@H]1C1([NH3+])CCCC1 575576391 352755876 /nfs/dbraw/zinc/75/58/76/352755876.db2.gz KESPQGJFFAURGY-GHMZBOCLSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@@H]1CCCC[C@@H]1C1([NH3+])CCCC1 575576393 352756118 /nfs/dbraw/zinc/75/61/18/352756118.db2.gz KESPQGJFFAURGY-MNOVXSKESA-N 1 0 181.323 3.084 10 0 AGAERO C[C@H]1CCCC[C@@H]1C1([NH3+])CCCC1 575576394 352756210 /nfs/dbraw/zinc/75/62/10/352756210.db2.gz KESPQGJFFAURGY-QWRGUYRKSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@H]1CCCC[C@H]1C1([NH3+])CCCC1 575576395 352756330 /nfs/dbraw/zinc/75/63/30/352756330.db2.gz KESPQGJFFAURGY-WDEREUQCSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@H](C)[C@@]1([NH3+])CCC12CCCC2 575576593 352757501 /nfs/dbraw/zinc/75/75/01/352757501.db2.gz MUHGOKNAYPWACU-JQWIXIFHSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@@H](C)[C@@]1([NH3+])CCC12CCCC2 575576597 352757614 /nfs/dbraw/zinc/75/76/14/352757614.db2.gz MUHGOKNAYPWACU-PWSUYJOCSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@H](C)[C@]1([NH3+])CCC12CCCC2 575576588 352757829 /nfs/dbraw/zinc/75/78/29/352757829.db2.gz MUHGOKNAYPWACU-CMPLNLGQSA-N 1 0 181.323 3.084 10 0 AGAERO CC[C@@H](C)[C@]1([NH3+])CCC12CCCC2 575576603 352757853 /nfs/dbraw/zinc/75/78/53/352757853.db2.gz MUHGOKNAYPWACU-ZYHUDNBSSA-N 1 0 181.323 3.084 10 0 AGAERO Cc1cc([C@@](C)([NH3+])C2(C)CC2)cs1 575577282 352760469 /nfs/dbraw/zinc/76/04/69/352760469.db2.gz PJCWSTDYPCHACA-LLVKDONJSA-N 1 0 195.331 3.031 10 0 AGAERO Cc1cc([C@](C)([NH3+])C2(C)CC2)cs1 575577283 352760605 /nfs/dbraw/zinc/76/06/05/352760605.db2.gz PJCWSTDYPCHACA-NSHDSACASA-N 1 0 195.331 3.031 10 0 AGAERO Cc1cc([C@@](C)([NH3+])C(C)(C)C)cs1 575577813 352763561 /nfs/dbraw/zinc/76/35/61/352763561.db2.gz RBYWIHUKYPXESB-LLVKDONJSA-N 1 0 197.347 3.277 10 0 AGAERO Cc1cc([C@](C)([NH3+])C(C)(C)C)cs1 575577815 352763663 /nfs/dbraw/zinc/76/36/63/352763663.db2.gz RBYWIHUKYPXESB-NSHDSACASA-N 1 0 197.347 3.277 10 0 AGAERO Cc1sccc1[C@@](C)([NH3+])C(C)(C)C 575578180 352766296 /nfs/dbraw/zinc/76/62/96/352766296.db2.gz SLMUHBADSHJTGG-LLVKDONJSA-N 1 0 197.347 3.277 10 0 AGAERO Cc1sccc1[C@](C)([NH3+])C(C)(C)C 575578181 352766302 /nfs/dbraw/zinc/76/63/02/352766302.db2.gz SLMUHBADSHJTGG-NSHDSACASA-N 1 0 197.347 3.277 10 0 AGAERO Cc1ccc([C@](C)([NH3+])C(C)(C)C)s1 575578340 352766744 /nfs/dbraw/zinc/76/67/44/352766744.db2.gz UXCDLHLGSNNHMR-NSHDSACASA-N 1 0 197.347 3.277 10 0 AGAERO Cc1ccc([C@@](C)([NH3+])C(C)(C)C)s1 575578337 352766895 /nfs/dbraw/zinc/76/68/95/352766895.db2.gz UXCDLHLGSNNHMR-LLVKDONJSA-N 1 0 197.347 3.277 10 0 AGAERO CC(C)[C@](C)([NH3+])[C@@H]1CCCC[C@H]1C 575578924 352769352 /nfs/dbraw/zinc/76/93/52/352769352.db2.gz ZWCXVMIYEHZQAC-UTUOFQBUSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@@](C)([NH3+])[C@H]1CCCC[C@H]1C 575578915 352769303 /nfs/dbraw/zinc/76/93/03/352769303.db2.gz ZWCXVMIYEHZQAC-GRYCIOLGSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@](C)([NH3+])[C@H]1CCCC[C@H]1C 575578928 352769347 /nfs/dbraw/zinc/76/93/47/352769347.db2.gz ZWCXVMIYEHZQAC-WOPDTQHZSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)[C@@](C)([NH3+])[C@@H]1CCCC[C@H]1C 575578920 352769468 /nfs/dbraw/zinc/76/94/68/352769468.db2.gz ZWCXVMIYEHZQAC-IJLUTSLNSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)(C)[C@@](C)([NH3+])C1CCCCC1 575578853 352769505 /nfs/dbraw/zinc/76/95/05/352769505.db2.gz VCYHPMHUIAHGTG-LBPRGKRZSA-N 1 0 183.339 3.330 10 0 AGAERO CC(C)(C)[C@](C)([NH3+])C1CCCCC1 575578850 352769524 /nfs/dbraw/zinc/76/95/24/352769524.db2.gz VCYHPMHUIAHGTG-GFCCVEGCSA-N 1 0 183.339 3.330 10 0 AGAERO CC(C)C[C@]1([NH3+])CCC12CCCC2 575578981 352769863 /nfs/dbraw/zinc/76/98/63/352769863.db2.gz VOQNXISBPOCYFP-GFCCVEGCSA-N 1 0 181.323 3.084 10 0 AGAERO CC(C)C[C@@]1([NH3+])CCC12CCCC2 575578983 352770022 /nfs/dbraw/zinc/77/00/22/352770022.db2.gz VOQNXISBPOCYFP-LBPRGKRZSA-N 1 0 181.323 3.084 10 0 AGAERO C[C@]([NH3+])(c1cccs1)C1CCCC1 575579780 352773716 /nfs/dbraw/zinc/77/37/16/352773716.db2.gz ZQGDFGGKVZCEPC-LLVKDONJSA-N 1 0 195.331 3.112 10 0 AGAERO C[C@@]([NH3+])(c1cccs1)C1CCCC1 575579781 352773512 /nfs/dbraw/zinc/77/35/12/352773512.db2.gz ZQGDFGGKVZCEPC-NSHDSACASA-N 1 0 195.331 3.112 10 0 AGAERO C[C@H]1C[C@@]1(C)[NH2+]C1CCCCCC1 575580206 352775610 /nfs/dbraw/zinc/77/56/10/352775610.db2.gz RGLHBUFFIKJCEI-CMPLNLGQSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@@H]1C[C@@]1(C)[NH2+]C1CCCCCC1 575580214 352775647 /nfs/dbraw/zinc/77/56/47/352775647.db2.gz RGLHBUFFIKJCEI-ZYHUDNBSSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@@H]1C[C@]1(C)[NH2+]C1CCCCCC1 575580213 352775717 /nfs/dbraw/zinc/77/57/17/352775717.db2.gz RGLHBUFFIKJCEI-PWSUYJOCSA-N 1 0 181.323 3.097 10 0 AGAERO C[C@H]1C[C@]1(C)[NH2+]C1CCCCCC1 575580211 352775874 /nfs/dbraw/zinc/77/58/74/352775874.db2.gz RGLHBUFFIKJCEI-JQWIXIFHSA-N 1 0 181.323 3.097 10 0 AGAERO CC1(C)CC(c2ccsc2C[NH3+])C1 575582022 352786227 /nfs/dbraw/zinc/78/62/27/352786227.db2.gz BKECLJUAZIMXDN-UHFFFAOYSA-N 1 0 195.331 3.110 10 0 AGAERO Cc1sccc1[C@H]([NH3+])[C@]1(C)C[C@@H]1C 575582798 352789737 /nfs/dbraw/zinc/78/97/37/352789737.db2.gz HKGLNFMDOFEDFY-BKDNQFJXSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccc([C@H]([NH3+])[C@]2(C)C[C@@H]2C)s1 575582812 352789743 /nfs/dbraw/zinc/78/97/43/352789743.db2.gz HVWMYBFKOWDEFL-BKDNQFJXSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccc([C@H]([NH3+])[C@@]2(C)C[C@@H]2C)s1 575582815 352789782 /nfs/dbraw/zinc/78/97/82/352789782.db2.gz HVWMYBFKOWDEFL-SWPVVBRQSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1sccc1[C@H]([NH3+])[C@@]1(C)C[C@H]1C 575582799 352789871 /nfs/dbraw/zinc/78/98/71/352789871.db2.gz HKGLNFMDOFEDFY-GGVZMXCHSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1sccc1[C@H]([NH3+])[C@@]1(C)C[C@@H]1C 575582801 352789960 /nfs/dbraw/zinc/78/99/60/352789960.db2.gz HKGLNFMDOFEDFY-SWPVVBRQSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccc([C@H]([NH3+])[C@@]2(C)C[C@H]2C)s1 575582813 352790000 /nfs/dbraw/zinc/79/00/00/352790000.db2.gz HVWMYBFKOWDEFL-GGVZMXCHSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccc([C@H]([NH3+])[C@]2(C)C[C@H]2C)s1 575582814 352790154 /nfs/dbraw/zinc/79/01/54/352790154.db2.gz HVWMYBFKOWDEFL-PPKCKEKNSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1sccc1[C@H]([NH3+])[C@]1(C)C[C@H]1C 575582800 352790190 /nfs/dbraw/zinc/79/01/90/352790190.db2.gz HKGLNFMDOFEDFY-PPKCKEKNSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccsc1[C@H]([NH3+])[C@@]1(C)C[C@H]1C 575583512 352793575 /nfs/dbraw/zinc/79/35/75/352793575.db2.gz MZZKGVDUNCRBSQ-MIMYLULJSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccsc1[C@H]([NH3+])[C@]1(C)C[C@@H]1C 575583510 352793536 /nfs/dbraw/zinc/79/35/36/352793536.db2.gz MZZKGVDUNCRBSQ-INTQDDNPSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccsc1[C@H]([NH3+])[C@@]1(C)C[C@@H]1C 575583511 352793909 /nfs/dbraw/zinc/79/39/09/352793909.db2.gz MZZKGVDUNCRBSQ-LSJOCFKGSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1ccsc1[C@H]([NH3+])[C@]1(C)C[C@H]1C 575583509 352793934 /nfs/dbraw/zinc/79/39/34/352793934.db2.gz MZZKGVDUNCRBSQ-DVVUODLYSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1cc([C@H]([NH3+])[C@]2(C)C[C@@H]2C)cs1 575584069 352795084 /nfs/dbraw/zinc/79/50/84/352795084.db2.gz SABVXYAFTVGZEX-BKDNQFJXSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1cc([C@H]([NH3+])[C@@]2(C)C[C@H]2C)cs1 575584070 352795121 /nfs/dbraw/zinc/79/51/21/352795121.db2.gz SABVXYAFTVGZEX-GGVZMXCHSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1cc([C@H]([NH3+])[C@@]2(C)C[C@@H]2C)cs1 575584072 352795211 /nfs/dbraw/zinc/79/52/11/352795211.db2.gz SABVXYAFTVGZEX-SWPVVBRQSA-N 1 0 195.331 3.102 10 0 AGAERO Cc1cc([C@H]([NH3+])[C@]2(C)C[C@H]2C)cs1 575584071 352795479 /nfs/dbraw/zinc/79/54/79/352795479.db2.gz SABVXYAFTVGZEX-PPKCKEKNSA-N 1 0 195.331 3.102 10 0 AGAERO CC1(C)CC([C@H]([NH3+])c2ccsc2)C1 575584360 352796571 /nfs/dbraw/zinc/79/65/71/352796571.db2.gz UZLPNGKQISSKFH-SNVBAGLBSA-N 1 0 195.331 3.184 10 0 AGAERO CC1(C)CC([C@@H]([NH3+])c2ccsc2)C1 575584358 352797099 /nfs/dbraw/zinc/79/70/99/352797099.db2.gz UZLPNGKQISSKFH-JTQLQIEISA-N 1 0 195.331 3.184 10 0 AGAERO CC1([NH2+]C2CCCCC2)CC=CC1 575586152 352806778 /nfs/dbraw/zinc/80/67/78/352806778.db2.gz VJGKVCPTAYXAFL-UHFFFAOYSA-N 1 0 179.307 3.017 10 0 AGAERO CC1(C[C@@]2([NH3+])CC2(C)C)CCCC1 575587846 352814070 /nfs/dbraw/zinc/81/40/70/352814070.db2.gz FCDVIBCSLYCCHN-LBPRGKRZSA-N 1 0 181.323 3.084 10 0 AGAERO CC1(C[C@]2([NH3+])CC2(C)C)CCCC1 575587845 352814101 /nfs/dbraw/zinc/81/41/01/352814101.db2.gz FCDVIBCSLYCCHN-GFCCVEGCSA-N 1 0 181.323 3.084 10 0 AGAERO CC1(C)C[C@]1([NH3+])CC1CCCCC1 575588626 352819236 /nfs/dbraw/zinc/81/92/36/352819236.db2.gz OWJFJQVPNIAKPO-GFCCVEGCSA-N 1 0 181.323 3.084 10 0 AGAERO CC1(C)C[C@@]1([NH3+])CC1CCCCC1 575588630 352819431 /nfs/dbraw/zinc/81/94/31/352819431.db2.gz OWJFJQVPNIAKPO-LBPRGKRZSA-N 1 0 181.323 3.084 10 0 AGAERO CC1(C)CC[C@]([NH3+])(CC2CCC2)C1 575588986 352820304 /nfs/dbraw/zinc/82/03/04/352820304.db2.gz LEZWAWJCHDFLMO-LBPRGKRZSA-N 1 0 181.323 3.084 10 0 AGAERO CC1(C)CC[C@@]([NH3+])(CC2CCC2)C1 575588985 352820649 /nfs/dbraw/zinc/82/06/49/352820649.db2.gz LEZWAWJCHDFLMO-GFCCVEGCSA-N 1 0 181.323 3.084 10 0 AGAERO CC1(C)C[C@@]1([NH3+])C1CCCCCC1 575589987 352825454 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IEQRUCKXKAKELY-WOPDTQHZSA-N 1 0 193.334 3.097 10 0 AGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC12CC2 657922286 409502517 /nfs/dbraw/zinc/50/25/17/409502517.db2.gz IEQRUCKXKAKELY-GRYCIOLGSA-N 1 0 193.334 3.097 10 0 AGAERO CC(C)[C@H](C)C[NH2+][C@@H]1CCCC12CC2 657889766 409502633 /nfs/dbraw/zinc/50/26/33/409502633.db2.gz QFQCFPKIAPGPDU-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO C1=CC[C@H]([NH2+][C@@H]2CCCC23CC3)CC1 657918436 409502660 /nfs/dbraw/zinc/50/26/60/409502660.db2.gz CNUZQWIXYYYLNB-NWDGAFQWSA-N 1 0 191.318 3.017 10 0 AGAERO C(C[NH2+][C@H]1CCCC12CC2)CC1CC1 657918752 409502684 /nfs/dbraw/zinc/50/26/84/409502684.db2.gz GMSSKNYKLOHGDV-LBPRGKRZSA-N 1 0 193.334 3.099 10 0 AGAERO CC1(C[NH2+][C@H]2CCCC23CC3)CCC1 657923435 409502747 /nfs/dbraw/zinc/50/27/47/409502747.db2.gz CXMLDKSCAURJAI-NSHDSACASA-N 1 0 193.334 3.099 10 0 AGAERO C1=CC[C@@H]([NH2+][C@@H]2CCCC23CC3)CC1 657918438 409502819 /nfs/dbraw/zinc/50/28/19/409502819.db2.gz CNUZQWIXYYYLNB-VXGBXAGGSA-N 1 0 191.318 3.017 10 0 AGAERO CC(C)[C@H](C)C[NH2+][C@H]1CCCC12CC2 657889763 409502915 /nfs/dbraw/zinc/50/29/15/409502915.db2.gz QFQCFPKIAPGPDU-NEPJUHHUSA-N 1 0 195.350 3.201 10 0 AGAERO CC1(C)CC[C@H]1[NH2+][C@H]1CCCC12CC2 658016109 409503512 /nfs/dbraw/zinc/50/35/12/409503512.db2.gz WFVKBOFTUDKPCC-MNOVXSKESA-N 1 0 193.334 3.097 10 0 AGAERO CCC(C)(C)C[NH2+][C@H]1CCCC12CC2 657988180 409503542 /nfs/dbraw/zinc/50/35/42/409503542.db2.gz CHLBCJJOELXKPH-NSHDSACASA-N 1 0 195.350 3.345 10 0 AGAERO CCC(C)(C)C[NH2+][C@@H]1CCCC12CC2 657988179 409503591 /nfs/dbraw/zinc/50/35/91/409503591.db2.gz CHLBCJJOELXKPH-LLVKDONJSA-N 1 0 195.350 3.345 10 0 AGAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CC3)C1 657983181 409503684 /nfs/dbraw/zinc/50/36/84/409503684.db2.gz MHKGQYLXKLQAEH-WOPDTQHZSA-N 1 0 193.334 3.097 10 0 AGAERO CC(C)=CCC[NH2+][C@@H]1CCCC12CC2 657990081 409503705 /nfs/dbraw/zinc/50/37/05/409503705.db2.gz SNCPFOVOHOGRGB-GFCCVEGCSA-N 1 0 193.334 3.265 10 0 AGAERO CC1(CC[NH2+][C@@H]2CCCC23CC3)CC1 657999710 409503889 /nfs/dbraw/zinc/50/38/89/409503889.db2.gz YVJQNLIVBWVZMW-LLVKDONJSA-N 1 0 193.334 3.099 10 0 AGAERO CC1(CC[NH2+][C@H]2CCCC23CC3)CC1 657999711 409503939 /nfs/dbraw/zinc/50/39/39/409503939.db2.gz YVJQNLIVBWVZMW-NSHDSACASA-N 1 0 193.334 3.099 10 0 AGAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC12CC2 658016111 409504179 /nfs/dbraw/zinc/50/41/79/409504179.db2.gz WFVKBOFTUDKPCC-WDEREUQCSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 657983031 409504237 /nfs/dbraw/zinc/50/42/37/409504237.db2.gz MHKGQYLXKLQAEH-GRYCIOLGSA-N 1 0 193.334 3.097 10 0 AGAERO CC1(C)CC[C@H]1[NH2+][C@@H]1CCCC12CC2 658016108 409504375 /nfs/dbraw/zinc/50/43/75/409504375.db2.gz WFVKBOFTUDKPCC-GHMZBOCLSA-N 1 0 193.334 3.097 10 0 AGAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCC12CC2 658016110 409504365 /nfs/dbraw/zinc/50/43/65/409504365.db2.gz WFVKBOFTUDKPCC-QWRGUYRKSA-N 1 0 193.334 3.097 10 0 AGAERO CC(C)=CCC[NH2+][C@H]1CCCC12CC2 657990084 409504434 /nfs/dbraw/zinc/50/44/34/409504434.db2.gz SNCPFOVOHOGRGB-LBPRGKRZSA-N 1 0 193.334 3.265 10 0 AGAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 657983032 409504444 /nfs/dbraw/zinc/50/44/44/409504444.db2.gz MHKGQYLXKLQAEH-IJLUTSLNSA-N 1 0 193.334 3.097 10 0 AGAERO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 657983180 409504797 /nfs/dbraw/zinc/50/47/97/409504797.db2.gz MHKGQYLXKLQAEH-UTUOFQBUSA-N 1 0 193.334 3.097 10 0 AGAERO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)C(C)C 658113005 409507075 /nfs/dbraw/zinc/50/70/75/409507075.db2.gz CGHKBNDPWOJAST-QWRGUYRKSA-N 1 0 185.355 3.445 10 0 AGAERO CCC(C)(C)[C@H](C)[NH2+][C@H](C)C(C)C 658113004 409507256 /nfs/dbraw/zinc/50/72/56/409507256.db2.gz CGHKBNDPWOJAST-MNOVXSKESA-N 1 0 185.355 3.445 10 0 AGAERO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)C(C)C 658112996 409507333 /nfs/dbraw/zinc/50/73/33/409507333.db2.gz CGHKBNDPWOJAST-GHMZBOCLSA-N 1 0 185.355 3.445 10 0 AGAERO CC[N@H+](C)[C@@H](C)c1ccccc1C 196934230 409507409 /nfs/dbraw/zinc/50/74/09/409507409.db2.gz GOPVIUZNUYNLMJ-NSHDSACASA-N 1 0 177.291 3.008 10 0 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IZHALVXUHNNWKO-HBNTYKKESA-N 1 0 196.338 3.178 10 0 AGAERO Cc1ccc([C@H](C)C(C)(C)[NH3+])c(C)c1 258599288 573230228 /nfs/dbraw/zinc/23/02/28/573230228.db2.gz NDXYHSQQQFBKLR-NSHDSACASA-N 1 0 191.318 3.144 10 0 AGAERO CC[C@@H](C)[N@@H+](C1CCCC1)C1CC1 308313184 573230263 /nfs/dbraw/zinc/23/02/63/573230263.db2.gz SUWIWGTXMHKWJN-SNVBAGLBSA-N 1 0 181.323 3.192 10 0 AGAERO CCC(C)(C)CC[N@@H+]1CCC1(C)C 308314585 573230463 /nfs/dbraw/zinc/23/04/63/573230463.db2.gz UNTOELQWLDJSOA-UHFFFAOYSA-N 1 0 183.339 3.297 10 0 AGAERO C[C@H](C[NH2+][C@@H]1C[C@H]1C)C1CCCCC1 308526060 573236996 /nfs/dbraw/zinc/23/69/96/573236996.db2.gz XLGFWNHLIVZACH-NQBHXWOUSA-N 1 0 195.350 3.201 10 0 AGAERO CCC1CCC([C@@H]([NH3+])C(C)C)CC1 82849365 573237074 /nfs/dbraw/zinc/23/70/74/573237074.db2.gz DWNKCDDQTYYTIX-MCIGGMRASA-N 1 0 183.339 3.186 10 0 AGAERO CC1CCC([C@@]2([NH3+])CC[C@@H](C)C2)CC1 82849176 573237211 /nfs/dbraw/zinc/23/72/11/573237211.db2.gz DKKCHZXHZPEIJC-POOIEITISA-N 1 0 195.350 3.330 10 0 AGAERO CC(C)C(C(C)C)[C@H]([NH3+])C1CCCC1 308528818 573237291 /nfs/dbraw/zinc/23/72/91/573237291.db2.gz JNGDLRODBPZNIT-CYBMUJFWSA-N 1 0 197.366 3.432 10 0 AGAERO CCCCCC1=C[C@@H]([NH3+])C[C@@H](C)C1 308323472 573237418 /nfs/dbraw/zinc/23/74/18/573237418.db2.gz CXMLECWAJMTPAP-JQWIXIFHSA-N 1 0 181.323 3.250 10 0 AGAERO CC1CCC([C@](C)([NH3+])C(C)C)CC1 82849125 573237609 /nfs/dbraw/zinc/23/76/09/573237609.db2.gz ASACUFVJJSFBJL-HTAVTVPLSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1ccccc1Cl 86029191 573237654 /nfs/dbraw/zinc/23/76/54/573237654.db2.gz XLSUYNQRFIFFED-LLVKDONJSA-N 1 0 195.693 3.306 10 0 AGAERO CC[C@H](C)[C@@H]([NH3+])C1CCC(C)CC1 82849539 573237683 /nfs/dbraw/zinc/23/76/83/573237683.db2.gz ABLXVROKDSNNQH-POSLAHMBSA-N 1 0 183.339 3.186 10 0 AGAERO CC[C@@H](C)[C@H]([NH3+])C1CCC(C)CC1 82849535 573237690 /nfs/dbraw/zinc/23/76/90/573237690.db2.gz ABLXVROKDSNNQH-RSJDFQLWSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)=C[C@@H]([NH3+])C1CCC(C)CC1 86029054 573237712 /nfs/dbraw/zinc/23/77/12/573237712.db2.gz QTKMVXBHHNKSRL-HTAVTVPLSA-N 1 0 181.323 3.106 10 0 AGAERO CCCC[C@]1([NH3+])CC[C@H](C)C[C@@H]1C 82858006 573239244 /nfs/dbraw/zinc/23/92/44/573239244.db2.gz NADGICJEWMYLIC-SRVKXCTJSA-N 1 0 183.339 3.330 10 0 AGAERO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC(C)(C)C)C1 82858894 573239264 /nfs/dbraw/zinc/23/92/64/573239264.db2.gz QVKIEKBTHHXOKX-IJLUTSLNSA-N 1 0 197.366 3.447 10 0 AGAERO C[NH2+][C@H](C=C(C)C)[C@H]1CCC[C@H](C)C1 86028922 573239373 /nfs/dbraw/zinc/23/93/73/573239373.db2.gz QDWDRPIZEPNGOS-RWMBFGLXSA-N 1 0 195.350 3.367 10 0 AGAERO CCC[C@@H]([NH2+]C[C@H](C)C(C)C)C1CC1 308526566 573239403 /nfs/dbraw/zinc/23/94/03/573239403.db2.gz IXQSGBNQAKDIEU-WCQYABFASA-N 1 0 197.366 3.447 10 0 AGAERO C[NH2+][C@H](C=C(C)C)c1ccc(C)cc1 86025603 573239420 /nfs/dbraw/zinc/23/94/20/573239420.db2.gz PBKKETCKTNNSRU-CYBMUJFWSA-N 1 0 189.302 3.222 10 0 AGAERO CCCC[C@]1([NH3+])CC[C@@H](C)C[C@@H]1C 82858008 573239430 /nfs/dbraw/zinc/23/94/30/573239430.db2.gz NADGICJEWMYLIC-WOPDTQHZSA-N 1 0 183.339 3.330 10 0 AGAERO CC(C)C[C@]1([NH3+])CC[C@@H](C)C[C@H]1C 82857860 573239453 /nfs/dbraw/zinc/23/94/53/573239453.db2.gz ZOVPABCVLZBYNN-IJLUTSLNSA-N 1 0 183.339 3.186 10 0 AGAERO CCC[C@H]([NH2+]C[C@H](C)C(C)C)C1CC1 308526563 573239454 /nfs/dbraw/zinc/23/94/54/573239454.db2.gz IXQSGBNQAKDIEU-AAEUAGOBSA-N 1 0 197.366 3.447 10 0 AGAERO CC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C(C)C 125963321 573239611 /nfs/dbraw/zinc/23/96/11/573239611.db2.gz RRHWYUXBNFZVGU-UPJWGTAASA-N 1 0 197.366 3.447 10 0 AGAERO CCC1([C@@H]([NH2+]C)c2ccc(C)o2)CC1 308527533 573239621 /nfs/dbraw/zinc/23/96/21/573239621.db2.gz JNIKSVBCFCQGKB-NSHDSACASA-N 1 0 193.290 3.039 10 0 AGAERO C[NH2+][C@@H](C=C(C)C)c1ccc(C)cc1 86025606 573239627 /nfs/dbraw/zinc/23/96/27/573239627.db2.gz PBKKETCKTNNSRU-ZDUSSCGKSA-N 1 0 189.302 3.222 10 0 AGAERO CC1CCC([C@H]2CCCCC[NH2+]2)CC1 82856516 573239628 /nfs/dbraw/zinc/23/96/28/573239628.db2.gz RYCCZFNKDQBEFG-WXRRBKDZSA-N 1 0 195.350 3.345 10 0 AGAERO CC(C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C1CC1 308527206 573239645 /nfs/dbraw/zinc/23/96/45/573239645.db2.gz QYSOKJMGHJMMEU-WCFLWFBJSA-N 1 0 195.350 3.057 10 0 AGAERO CC1CCC([C@@H](C)C[C@@H](C)[NH3+])CC1 82856763 573239750 /nfs/dbraw/zinc/23/97/50/573239750.db2.gz YCMLCAAMTHVODE-LVFLEHKBSA-N 1 0 183.339 3.186 10 0 AGAERO CC(C)=C[C@@H]([NH3+])c1ccc(Cl)cc1 86024716 573239836 /nfs/dbraw/zinc/23/98/36/573239836.db2.gz VERKKBURYIBFIJ-LLVKDONJSA-N 1 0 195.693 3.306 10 0 AGAERO CCC1([C@@H]([NH2+]C)[C@H](C)CC(C)C)CC1 308528754 573239863 /nfs/dbraw/zinc/23/98/63/573239863.db2.gz JZMFBALAIZGULK-NEPJUHHUSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)=C[C@H]([NH3+])c1cccc(Cl)c1 86025007 573239869 /nfs/dbraw/zinc/23/98/69/573239869.db2.gz RLRUJSSDZOZXPE-NSHDSACASA-N 1 0 195.693 3.306 10 0 AGAERO CC(C)C[NH2+][C@@H](CC(C)(C)C)C1CC1 308523338 573247170 /nfs/dbraw/zinc/24/71/70/573247170.db2.gz PWXHPQRBFQTLNR-LBPRGKRZSA-N 1 0 197.366 3.447 10 0 AGAERO CC(C)C[NH2+]C[C@@H]1C[C@@H]1[C@H](C)C(C)C 308522825 573247173 /nfs/dbraw/zinc/24/71/73/573247173.db2.gz UYTGQNDEBVIVDQ-FRRDWIJNSA-N 1 0 197.366 3.160 10 0 AGAERO C/C=C\C[N@@H+]1CCC[C@@H]1C(C)(C)C 308322046 573247838 /nfs/dbraw/zinc/24/78/38/573247838.db2.gz ZIRHBAZQJLQMPC-ISALQUGTSA-N 1 0 181.323 3.073 10 0 AGAERO C[C@@H]1C[C@]1(C)C[NH2+][C@H]1CC[C@H](C)CC1 714660343 573247484 /nfs/dbraw/zinc/24/74/84/573247484.db2.gz OOYZSWJMMJLRRH-FDYHWXHSSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@H]1C[C@]1(C)C[NH2+][C@H]1CC[C@H](C)CC1 714660345 573247657 /nfs/dbraw/zinc/24/76/57/573247657.db2.gz OOYZSWJMMJLRRH-ZDEQEGDKSA-N 1 0 195.350 3.201 10 0 AGAERO CCC[C@H](C)[C@@H](C)C[C@@H](C)[NH2+]CC 233345558 573251661 /nfs/dbraw/zinc/25/16/61/573251661.db2.gz AWVMSEOAPFYNBO-SDDRHHMPSA-N 1 0 185.355 3.447 10 0 AGAERO Cc1cc(C)c(C)c([C@H](C)CC[NH3+])c1 257979317 573251753 /nfs/dbraw/zinc/25/17/53/573251753.db2.gz DPIQHWMJYQGZGD-SNVBAGLBSA-N 1 0 191.318 3.064 10 0 AGAERO CC[NH2+][C@@H](CCC1CC1)C1(CC)CC1 308530687 573251973 /nfs/dbraw/zinc/25/19/73/573251973.db2.gz KRULTHKOHZHDLW-LBPRGKRZSA-N 1 0 195.350 3.345 10 0 AGAERO CC[C@H](C)[C@@H]([NH2+]C)c1sccc1C 42729495 573252016 /nfs/dbraw/zinc/25/20/16/573252016.db2.gz FHKWDVAKGJDTOT-WCBMZHEXSA-N 1 0 197.347 3.363 10 0 AGAERO CCC[C@@H]([NH2+]C)[C@H](C)CCC(C)C 211926218 573252079 /nfs/dbraw/zinc/25/20/79/573252079.db2.gz LDBZKMWWWLHTMG-VXGBXAGGSA-N 1 0 185.355 3.447 10 0 AGAERO CC(C)[N@H+](C)CCCCC(F)(F)F 308327871 573252092 /nfs/dbraw/zinc/25/20/92/573252092.db2.gz HZSWMAJVHSWKOO-UHFFFAOYSA-N 1 0 197.244 3.059 10 0 AGAERO CC[NH2+][C@H](CCCCF)c1ccco1 308530199 573252204 /nfs/dbraw/zinc/25/22/04/573252204.db2.gz KNPCGBNRJVESDO-SNVBAGLBSA-N 1 0 199.269 3.070 10 0 AGAERO CCCC1([C@H]2C[C@H]2C[NH2+]CC)CCC1 686135494 573271254 /nfs/dbraw/zinc/27/12/54/573271254.db2.gz FKAFQVXOXISMIT-RYUDHWBXSA-N 1 0 195.350 3.202 10 0 AGAERO CCC1(C[NH2+]C2(C)CCC2)CCC1 308338630 573271256 /nfs/dbraw/zinc/27/12/56/573271256.db2.gz PJOPTCPAXVKEAT-UHFFFAOYSA-N 1 0 181.323 3.099 10 0 AGAERO CCCC1([C@H]2[C@@H](C[NH3+])C2(C)C)CCC1 686135190 573271545 /nfs/dbraw/zinc/27/15/45/573271545.db2.gz BDBNXEPMQIAPHY-MNOVXSKESA-N 1 0 195.350 3.188 10 0 AGAERO C[C@@]1(CC2CCCC2)CCCC[NH2+]1 257988643 573271625 /nfs/dbraw/zinc/27/16/25/573271625.db2.gz KKBISTQMAQUBGG-LBPRGKRZSA-N 1 0 181.323 3.099 10 0 AGAERO CCC(CC)C[C@H](CC)[C@@H](C)[NH3+] 129239017 573272386 /nfs/dbraw/zinc/27/23/86/573272386.db2.gz JMLPMUFQYDIWBB-KOLCDFICSA-N 1 0 171.328 3.186 10 0 AGAERO CCC(CC)C[C@H](C)[C@@H]([NH3+])CC 129251774 573272392 /nfs/dbraw/zinc/27/23/92/573272392.db2.gz JLDAPBIRZJWJDX-ONGXEEELSA-N 1 0 171.328 3.186 10 0 AGAERO CC[C@H](CC1CCC(C)CC1)[NH2+]C 308338936 573271737 /nfs/dbraw/zinc/27/17/37/573271737.db2.gz PUHYGAVXMJMVJE-HTAVTVPLSA-N 1 0 183.339 3.201 10 0 AGAERO CC[C@@H]1[NH2+]CC[C@H]1C1(C(C)C)CCC1 686135474 573271809 /nfs/dbraw/zinc/27/18/09/573271809.db2.gz DROSFYUQCZDOMN-NEPJUHHUSA-N 1 0 195.350 3.201 10 0 AGAERO CCC(CC)[NH2+][C@@H](C)c1occc1C 129256031 573271816 /nfs/dbraw/zinc/27/18/16/573271816.db2.gz SILZZMBUSJSZNP-JTQLQIEISA-N 1 0 195.306 3.427 10 0 AGAERO CCC(CC)C[C@H](C)[C@@H](CC)[NH2+]C 129252209 573271852 /nfs/dbraw/zinc/27/18/52/573271852.db2.gz UVUIGJKSBNYDBV-CMPLNLGQSA-N 1 0 185.355 3.447 10 0 AGAERO Cc1ccsc1C1([NH3+])CCCCC1 82908253 573271881 /nfs/dbraw/zinc/27/18/81/573271881.db2.gz RORITSZYILSUHB-UHFFFAOYSA-N 1 0 195.331 3.175 10 0 AGAERO CC[C@H]1[NH2+]CC[C@H]1C1(C(C)C)CCC1 686135477 573271912 /nfs/dbraw/zinc/27/19/12/573271912.db2.gz DROSFYUQCZDOMN-VXGBXAGGSA-N 1 0 195.350 3.201 10 0 AGAERO C[C@]1(CC2CCCC2)CCCC[NH2+]1 257988638 573271936 /nfs/dbraw/zinc/27/19/36/573271936.db2.gz KKBISTQMAQUBGG-GFCCVEGCSA-N 1 0 181.323 3.099 10 0 AGAERO CCC(CC)C[C@H](C(C)C)[C@H](C)[NH3+] 129248280 573272033 /nfs/dbraw/zinc/27/20/33/573272033.db2.gz XASPFXJAVSGGPJ-CMPLNLGQSA-N 1 0 185.355 3.432 10 0 AGAERO CCCC1([C@@H]2C[C@H]2C[NH2+]CC)CCC1 686135493 573272037 /nfs/dbraw/zinc/27/20/37/573272037.db2.gz FKAFQVXOXISMIT-NWDGAFQWSA-N 1 0 195.350 3.202 10 0 AGAERO CCC(CC)C[C@@H](C)[C@@H]([NH3+])CC 129251568 573272082 /nfs/dbraw/zinc/27/20/82/573272082.db2.gz JLDAPBIRZJWJDX-KOLCDFICSA-N 1 0 171.328 3.186 10 0 AGAERO CC[C@@H](C)[C@H]([NH3+])CC1(CC)CCC1 308338755 573272134 /nfs/dbraw/zinc/27/21/34/573272134.db2.gz PQLXSNMILCOWMJ-GHMZBOCLSA-N 1 0 183.339 3.330 10 0 AGAERO CCC(CC)C[C@@H](C)[C@@H](C)[NH2+]C 129237118 573272194 /nfs/dbraw/zinc/27/21/94/573272194.db2.gz LCNLJXBSQMLBLS-NXEZZACHSA-N 1 0 171.328 3.057 10 0 AGAERO CCC(CC)C[C@H](CC)[C@H](C)[NH3+] 129239442 573272234 /nfs/dbraw/zinc/27/22/34/573272234.db2.gz JMLPMUFQYDIWBB-ONGXEEELSA-N 1 0 171.328 3.186 10 0 AGAERO CCC(CC)[NH2+][C@H](C)c1occc1C 129256248 573272245 /nfs/dbraw/zinc/27/22/45/573272245.db2.gz SILZZMBUSJSZNP-SNVBAGLBSA-N 1 0 195.306 3.427 10 0 AGAERO CCC[C@@H](CC1(C)CCC1)[NH2+]CC 308338838 573274076 /nfs/dbraw/zinc/27/40/76/573274076.db2.gz PSIFHUFDMDYPCK-NSHDSACASA-N 1 0 183.339 3.345 10 0 AGAERO CCC(CC)C[C@@H](C)[C@H]([NH3+])CC 129251159 573274126 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573859203 /nfs/dbraw/zinc/85/92/03/573859203.db2.gz NXUHWGQGYYGAAI-TUAOUCFPSA-N 1 0 183.339 3.330 10 0 AGAERO Cc1ccc([C@@H]([NH3+])[C@H](C)CC(C)C)o1 308458265 573861985 /nfs/dbraw/zinc/86/19/85/573861985.db2.gz FNMPKTKZBJAOJS-SKDRFNHKSA-N 1 0 195.306 3.270 10 0 AGAERO CCC(CC)(CC)CCCC[NH3+] 78699535 573862131 /nfs/dbraw/zinc/86/21/31/573862131.db2.gz AQYQVFHZQLCWGP-UHFFFAOYSA-N 1 0 171.328 3.332 10 0 AGAERO C[NH2+][C@H](C1CCCC1)[C@@H](C)CC(C)C 308458181 573865150 /nfs/dbraw/zinc/86/51/50/573865150.db2.gz FIRRDOPFMOKXQA-AAEUAGOBSA-N 1 0 197.366 3.447 10 0 AGAERO CCC(F)(F)c1cccc([C@H](C)[NH3+])c1 259576686 573865170 /nfs/dbraw/zinc/86/51/70/573865170.db2.gz UALZGSUYDVMTHS-QMMMGPOBSA-N 1 0 199.244 3.208 10 0 AGAERO CCC[NH2+]C/C(=C/C(C)(C)C)CC 211836918 573865219 /nfs/dbraw/zinc/86/52/19/573865219.db2.gz OOISQLUNWUMXCB-PKNBQFBNSA-N 1 0 183.339 3.369 10 0 AGAERO CC(C)[C@H]([NH3+])c1cc(Cl)cs1 238171420 573865561 /nfs/dbraw/zinc/86/55/61/573865561.db2.gz AAVUMLZAXUBWRW-QMMMGPOBSA-N 1 0 189.711 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197.366 3.434 10 0 AGAERO CC1([C@H]2CCCCC[NH2+]2)CCCC1 87315709 573878071 /nfs/dbraw/zinc/87/80/71/573878071.db2.gz PZBQNJNIROOTPH-LLVKDONJSA-N 1 0 181.323 3.099 10 0 AGAERO [NH3+]C1[C@@H]2CCCCCCCCCC[C@@H]12 238552101 573878130 /nfs/dbraw/zinc/87/81/30/573878130.db2.gz NMNXKKCKQJCMEX-VXGBXAGGSA-N 1 0 195.350 3.474 10 0 AGAERO CC1([C@@H]([NH3+])c2ccccc2)CCCC1 87315945 573878249 /nfs/dbraw/zinc/87/82/49/573878249.db2.gz HXQPWDQMEMTFJT-LBPRGKRZSA-N 1 0 189.302 3.267 10 0 AGAERO C[NH2+][C@H](C1=CCCC1)C1(C)CCCC1 87316352 573878414 /nfs/dbraw/zinc/87/84/14/573878414.db2.gz MDFFZJDVYOIFBN-GFCCVEGCSA-N 1 0 193.334 3.265 10 0 AGAERO CC1([C@H]([NH3+])c2cccs2)CCCC1 87315989 573878496 /nfs/dbraw/zinc/87/84/96/573878496.db2.gz BLDBWZOGUPBKFL-SNVBAGLBSA-N 1 0 195.331 3.328 10 0 AGAERO CC1([C@@H]2CCCCC[NH2+]2)CCCC1 87315708 573878597 /nfs/dbraw/zinc/87/85/97/573878597.db2.gz PZBQNJNIROOTPH-NSHDSACASA-N 1 0 181.323 3.099 10 0 AGAERO CC(C)C[C@@H](CC[NH3+])c1ccccc1 41205745 573884124 /nfs/dbraw/zinc/88/41/24/573884124.db2.gz YZDGOETYQKEJKY-CYBMUJFWSA-N 1 0 191.318 3.165 10 0 AGAERO CCc1ccc(/C(C)=C/CC[NH3+])cc1 41204850 573886455 /nfs/dbraw/zinc/88/64/55/573886455.db2.gz NSYACZWWXMNVST-VZUCSPMQSA-N 1 0 189.302 3.001 10 0 AGAERO Cc1ccc([C@@H](C[NH3+])CC(C)C)cc1 41205652 573886554 /nfs/dbraw/zinc/88/65/54/573886554.db2.gz KEZICJUVFFKBAY-CYBMUJFWSA-N 1 0 191.318 3.083 10 0 AGAERO CC(C)([NH3+])c1ccc(C2CCC2)cc1 258173811 573890222 /nfs/dbraw/zinc/89/02/22/573890222.db2.gz WCCPECLQNHQLER-UHFFFAOYSA-N 1 0 189.302 3.148 10 0 AGAERO CC[C@H](C)[C@H]([NH3+])CC[C@@H]1C[C@H]1C1CC1 714768405 573890499 /nfs/dbraw/zinc/89/04/99/573890499.db2.gz CRYSZGNWKAIITN-ZBAXXZLZSA-N 1 0 195.350 3.186 10 0 AGAERO [NH3+][C@H]1CCCCc2cccc(Cl)c21 238561254 573890932 /nfs/dbraw/zinc/89/09/32/573890932.db2.gz LJSLTLNZPWEYIS-JTQLQIEISA-N 1 0 195.693 3.066 10 0 AGAERO C[C@H]([NH3+])CCCc1ccccc1Cl 41209230 573890956 /nfs/dbraw/zinc/89/09/56/573890956.db2.gz WSXDCPAGMSXOES-VIFPVBQESA-N 1 0 197.709 3.010 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